USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 990 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 128 THR OG1 : rot 47:sc= 1.04 USER MOD Set 1.2: A 131 GLN : amide:sc= -0.346 K(o=0.69,f=-1.5!) USER MOD Set 2.1: A 121 MET CE :methyl -162:sc= -0.0924 (180deg=-0.467) USER MOD Set 2.2: A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 92 SER OG : rot -130:sc= 0.722 USER MOD Set 3.2: A 114 LYS NZ :NH3+ 166:sc= 0.816 (180deg=-0.0872) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.96 K(o=-0.96,f=-4.7) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= -1.71 (180deg=-2.74!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -118:sc= -0.763 (180deg=-1.09) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 170:sc= -0.0304 (180deg=-0.22) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00224 USER MOD Single : A 42 ASN : amide:sc= -0.7 X(o=-0.7,f=-0.48) USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= 0.826 (180deg=0.741) USER MOD Single : A 51 TYR OH : rot 112:sc= -0.597 USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= -0.0151 (180deg=-0.152) USER MOD Single : A 57 ASN : amide:sc= 1.23 K(o=1.2,f=-1.3) USER MOD Single : A 60 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.1!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.203 K(o=-0.2,f=-8.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0.529 (180deg=0.529) USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= 1.28 (180deg=1.18) USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= 1.14 (180deg=1.03) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.042 K(o=-0.042,f=-1.8!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -23:sc= 0.622 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.0193 F(o=-1.2,f=-0.019) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 152:sc= -0.362 (180deg=-0.448) USER MOD Single : A 112 GLN :FLIP amide:sc= -0.103 F(o=-1,f=-0.1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0676 F(o=-2.7!,f=-0.068) USER MOD Single : A 120 ASN : amide:sc= -0.179 K(o=-0.18,f=-8.7!) USER MOD Single : A 126 LYS NZ :NH3+ 168:sc= 0.928 (180deg=0.819) USER MOD Single : A 133 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.072) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -21.553 -3.644 -1.780 1.00 0.00 N ATOM 2 CA GLY A 15 -22.376 -4.149 -0.658 1.00 0.00 C ATOM 3 C GLY A 15 -22.017 -3.485 0.654 1.00 0.00 C ATOM 4 O GLY A 15 -22.120 -2.265 0.789 1.00 0.00 O ATOM 0 HA2 GLY A 15 -23.430 -3.976 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.242 -5.227 -0.567 1.00 0.00 H new ATOM 10 N SER A 16 -21.586 -4.284 1.617 1.00 0.00 N ATOM 11 CA SER A 16 -21.234 -3.776 2.931 1.00 0.00 C ATOM 12 C SER A 16 -19.742 -3.465 3.013 1.00 0.00 C ATOM 13 O SER A 16 -18.936 -4.304 3.426 1.00 0.00 O ATOM 14 CB SER A 16 -21.630 -4.790 4.005 1.00 0.00 C ATOM 15 OG SER A 16 -23.018 -5.077 3.947 1.00 0.00 O ATOM 0 H SER A 16 -21.472 -5.292 1.511 1.00 0.00 H new ATOM 0 HA SER A 16 -21.780 -2.848 3.102 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.059 -5.709 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.377 -4.399 4.990 1.00 0.00 H new ATOM 0 HG SER A 16 -23.247 -5.729 4.642 1.00 0.00 H new ATOM 21 N SER A 17 -19.380 -2.259 2.599 1.00 0.00 N ATOM 22 CA SER A 17 -18.007 -1.797 2.704 1.00 0.00 C ATOM 23 C SER A 17 -17.689 -1.445 4.152 1.00 0.00 C ATOM 24 O SER A 17 -18.096 -0.394 4.651 1.00 0.00 O ATOM 25 CB SER A 17 -17.780 -0.584 1.800 1.00 0.00 C ATOM 26 OG SER A 17 -18.056 -0.896 0.444 1.00 0.00 O ATOM 0 H SER A 17 -20.022 -1.582 2.186 1.00 0.00 H new ATOM 0 HA SER A 17 -17.341 -2.596 2.379 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.418 0.239 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.749 -0.244 1.895 1.00 0.00 H new ATOM 0 HG SER A 17 -17.905 -0.103 -0.112 1.00 0.00 H new ATOM 32 N GLY A 18 -16.995 -2.346 4.829 1.00 0.00 N ATOM 33 CA GLY A 18 -16.636 -2.125 6.213 1.00 0.00 C ATOM 34 C GLY A 18 -15.487 -1.150 6.361 1.00 0.00 C ATOM 35 O GLY A 18 -14.801 -0.835 5.384 1.00 0.00 O ATOM 0 H GLY A 18 -16.672 -3.232 4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.503 -1.746 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -16.364 -3.076 6.672 1.00 0.00 H new ATOM 39 N ASN A 19 -15.282 -0.672 7.580 1.00 0.00 N ATOM 40 CA ASN A 19 -14.200 0.262 7.869 1.00 0.00 C ATOM 41 C ASN A 19 -12.846 -0.380 7.602 1.00 0.00 C ATOM 42 O ASN A 19 -12.684 -1.597 7.707 1.00 0.00 O ATOM 43 CB ASN A 19 -14.264 0.746 9.325 1.00 0.00 C ATOM 44 CG ASN A 19 -14.256 -0.383 10.335 1.00 0.00 C ATOM 45 OD1 ASN A 19 -13.200 -0.824 10.779 1.00 0.00 O ATOM 46 ND2 ASN A 19 -15.433 -0.851 10.718 1.00 0.00 N ATOM 0 H ASN A 19 -15.853 -0.916 8.389 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.322 1.121 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.416 1.403 9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -15.167 1.341 9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -15.484 -1.604 11.405 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.290 -0.459 10.327 1.00 0.00 H new ATOM 53 N PRO A 20 -11.846 0.452 7.269 1.00 0.00 N ATOM 54 CA PRO A 20 -10.506 -0.019 6.941 1.00 0.00 C ATOM 55 C PRO A 20 -9.799 -0.555 8.169 1.00 0.00 C ATOM 56 O PRO A 20 -8.816 -1.284 8.069 1.00 0.00 O ATOM 57 CB PRO A 20 -9.775 1.220 6.417 1.00 0.00 C ATOM 58 CG PRO A 20 -10.775 2.326 6.381 1.00 0.00 C ATOM 59 CD PRO A 20 -11.942 1.915 7.222 1.00 0.00 C ATOM 0 HA PRO A 20 -10.532 -0.833 6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.937 1.477 7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.366 1.036 5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.337 3.249 6.760 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.092 2.521 5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.889 2.351 8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.885 2.239 6.782 1.00 0.00 H new ATOM 67 N GLU A 21 -10.324 -0.185 9.328 1.00 0.00 N ATOM 68 CA GLU A 21 -9.750 -0.594 10.602 1.00 0.00 C ATOM 69 C GLU A 21 -10.053 -2.058 10.877 1.00 0.00 C ATOM 70 O GLU A 21 -9.348 -2.720 11.634 1.00 0.00 O ATOM 71 CB GLU A 21 -10.322 0.262 11.724 1.00 0.00 C ATOM 72 CG GLU A 21 -10.451 1.719 11.341 1.00 0.00 C ATOM 73 CD GLU A 21 -11.149 2.538 12.400 1.00 0.00 C ATOM 74 OE1 GLU A 21 -10.467 3.026 13.325 1.00 0.00 O ATOM 75 OE2 GLU A 21 -12.387 2.692 12.313 1.00 0.00 O ATOM 0 H GLU A 21 -11.153 0.403 9.412 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.669 -0.460 10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.302 -0.123 12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.682 0.177 12.602 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.459 2.133 11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.003 1.797 10.404 1.00 0.00 H new ATOM 82 N ASP A 22 -11.119 -2.549 10.262 1.00 0.00 N ATOM 83 CA ASP A 22 -11.535 -3.937 10.441 1.00 0.00 C ATOM 84 C ASP A 22 -10.612 -4.877 9.676 1.00 0.00 C ATOM 85 O ASP A 22 -10.505 -6.059 9.998 1.00 0.00 O ATOM 86 CB ASP A 22 -12.982 -4.132 9.979 1.00 0.00 C ATOM 87 CG ASP A 22 -13.561 -5.459 10.439 1.00 0.00 C ATOM 88 OD1 ASP A 22 -14.047 -5.530 11.588 1.00 0.00 O ATOM 89 OD2 ASP A 22 -13.534 -6.435 9.664 1.00 0.00 O ATOM 0 H ASP A 22 -11.714 -2.008 9.634 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.473 -4.174 11.503 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.596 -3.318 10.363 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.024 -4.077 8.891 1.00 0.00 H new ATOM 94 N PHE A 23 -9.936 -4.339 8.668 1.00 0.00 N ATOM 95 CA PHE A 23 -8.985 -5.109 7.883 1.00 0.00 C ATOM 96 C PHE A 23 -7.810 -5.516 8.758 1.00 0.00 C ATOM 97 O PHE A 23 -7.391 -4.771 9.647 1.00 0.00 O ATOM 98 CB PHE A 23 -8.474 -4.290 6.693 1.00 0.00 C ATOM 99 CG PHE A 23 -9.480 -4.091 5.593 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.556 -3.237 5.759 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.332 -4.746 4.380 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.469 -3.041 4.741 1.00 0.00 C ATOM 103 CE2 PHE A 23 -10.242 -4.557 3.359 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.312 -3.702 3.539 1.00 0.00 C ATOM 0 H PHE A 23 -10.031 -3.367 8.376 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.490 -5.998 7.505 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.150 -3.313 7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.595 -4.784 6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.684 -2.717 6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.495 -5.412 4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.304 -2.372 4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.117 -5.077 2.421 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.024 -3.551 2.741 1.00 0.00 H new ATOM 114 N LYS A 24 -7.276 -6.692 8.495 1.00 0.00 N ATOM 115 CA LYS A 24 -6.156 -7.204 9.260 1.00 0.00 C ATOM 116 C LYS A 24 -4.894 -6.472 8.848 1.00 0.00 C ATOM 117 O LYS A 24 -3.951 -6.341 9.631 1.00 0.00 O ATOM 118 CB LYS A 24 -5.986 -8.710 9.046 1.00 0.00 C ATOM 119 CG LYS A 24 -5.026 -9.351 10.034 1.00 0.00 C ATOM 120 CD LYS A 24 -5.589 -9.337 11.446 1.00 0.00 C ATOM 121 CE LYS A 24 -4.604 -9.917 12.447 1.00 0.00 C ATOM 122 NZ LYS A 24 -5.152 -9.912 13.829 1.00 0.00 N ATOM 0 H LYS A 24 -7.601 -7.313 7.754 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.349 -7.037 10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.959 -9.194 9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.626 -8.888 8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.824 -10.379 9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.074 -8.820 10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.837 -8.314 11.729 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.516 -9.909 11.474 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.353 -10.938 12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.679 -9.342 12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.450 -10.315 14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.368 -8.935 14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.021 -10.482 13.860 1.00 0.00 H new ATOM 136 N VAL A 25 -4.890 -5.976 7.614 1.00 0.00 N ATOM 137 CA VAL A 25 -3.762 -5.216 7.114 1.00 0.00 C ATOM 138 C VAL A 25 -3.661 -3.876 7.828 1.00 0.00 C ATOM 139 O VAL A 25 -2.602 -3.280 7.856 1.00 0.00 O ATOM 140 CB VAL A 25 -3.834 -4.976 5.586 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.544 -6.112 4.885 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.481 -3.641 5.248 1.00 0.00 C ATOM 0 H VAL A 25 -5.655 -6.089 6.949 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.874 -5.815 7.316 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.807 -4.941 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.578 -5.914 3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.007 -7.043 5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.560 -6.199 5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.510 -3.515 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.496 -3.618 5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.900 -2.832 5.692 1.00 0.00 H new ATOM 152 N PHE A 26 -4.761 -3.407 8.410 1.00 0.00 N ATOM 153 CA PHE A 26 -4.758 -2.118 9.089 1.00 0.00 C ATOM 154 C PHE A 26 -3.691 -2.094 10.176 1.00 0.00 C ATOM 155 O PHE A 26 -2.900 -1.161 10.258 1.00 0.00 O ATOM 156 CB PHE A 26 -6.131 -1.819 9.691 1.00 0.00 C ATOM 157 CG PHE A 26 -6.229 -0.458 10.321 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.413 0.669 9.536 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.134 -0.304 11.696 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.501 1.922 10.110 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.221 0.946 12.274 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.405 2.061 11.480 1.00 0.00 C ATOM 0 H PHE A 26 -5.656 -3.895 8.425 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.529 -1.346 8.354 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.887 -1.904 8.910 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.362 -2.575 10.442 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.488 0.566 8.464 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.990 -1.172 12.322 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.645 2.793 9.487 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.145 1.052 13.346 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.474 3.040 11.930 1.00 0.00 H new ATOM 172 N LYS A 27 -3.658 -3.142 10.986 1.00 0.00 N ATOM 173 CA LYS A 27 -2.689 -3.252 12.065 1.00 0.00 C ATOM 174 C LYS A 27 -1.274 -3.423 11.507 1.00 0.00 C ATOM 175 O LYS A 27 -0.309 -2.907 12.072 1.00 0.00 O ATOM 176 CB LYS A 27 -3.077 -4.423 12.966 1.00 0.00 C ATOM 177 CG LYS A 27 -2.826 -4.171 14.447 1.00 0.00 C ATOM 178 CD LYS A 27 -1.348 -4.175 14.796 1.00 0.00 C ATOM 179 CE LYS A 27 -0.671 -5.424 14.272 1.00 0.00 C ATOM 180 NZ LYS A 27 0.721 -5.564 14.766 1.00 0.00 N ATOM 0 H LYS A 27 -4.297 -3.934 10.915 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.694 -2.335 12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.134 -4.647 12.819 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.518 -5.307 12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.259 -3.211 14.727 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.336 -4.935 15.034 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.868 -3.292 14.373 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.226 -4.117 15.878 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.249 -6.299 14.570 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.666 -5.401 13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.307 -6.009 14.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.105 -4.624 14.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.728 -6.156 15.621 1.00 0.00 H new ATOM 194 N TYR A 28 -1.156 -4.125 10.388 1.00 0.00 N ATOM 195 CA TYR A 28 0.141 -4.333 9.748 1.00 0.00 C ATOM 196 C TYR A 28 0.647 -3.048 9.103 1.00 0.00 C ATOM 197 O TYR A 28 1.762 -2.613 9.364 1.00 0.00 O ATOM 198 CB TYR A 28 0.050 -5.442 8.703 1.00 0.00 C ATOM 199 CG TYR A 28 0.139 -6.835 9.276 1.00 0.00 C ATOM 200 CD1 TYR A 28 -0.987 -7.487 9.757 1.00 0.00 C ATOM 201 CD2 TYR A 28 1.356 -7.496 9.334 1.00 0.00 C ATOM 202 CE1 TYR A 28 -0.901 -8.761 10.281 1.00 0.00 C ATOM 203 CE2 TYR A 28 1.453 -8.768 9.854 1.00 0.00 C ATOM 204 CZ TYR A 28 0.321 -9.397 10.326 1.00 0.00 C ATOM 205 OH TYR A 28 0.416 -10.665 10.855 1.00 0.00 O ATOM 0 H TYR A 28 -1.940 -4.561 9.903 1.00 0.00 H new ATOM 0 HA TYR A 28 0.850 -4.631 10.520 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.892 -5.342 8.163 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.850 -5.308 7.975 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.945 -6.990 9.721 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.244 -7.005 8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.786 -9.256 10.653 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.409 -9.269 9.892 1.00 0.00 H new ATOM 0 HH TYR A 28 1.347 -10.969 10.810 1.00 0.00 H new ATOM 215 N MET A 29 -0.175 -2.451 8.259 1.00 0.00 N ATOM 216 CA MET A 29 0.150 -1.183 7.620 1.00 0.00 C ATOM 217 C MET A 29 0.409 -0.093 8.660 1.00 0.00 C ATOM 218 O MET A 29 1.230 0.797 8.447 1.00 0.00 O ATOM 219 CB MET A 29 -0.979 -0.762 6.671 1.00 0.00 C ATOM 220 CG MET A 29 -0.939 -1.441 5.305 1.00 0.00 C ATOM 221 SD MET A 29 -0.825 -3.238 5.388 1.00 0.00 S ATOM 222 CE MET A 29 -0.812 -3.645 3.644 1.00 0.00 C ATOM 0 H MET A 29 -1.085 -2.828 7.996 1.00 0.00 H new ATOM 0 HA MET A 29 1.064 -1.318 7.041 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.936 -0.981 7.144 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.934 0.318 6.528 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.835 -1.169 4.748 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.087 -1.058 4.744 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.684 -4.254 3.406 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.838 -2.728 3.056 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.094 -4.202 3.407 1.00 0.00 H new ATOM 232 N LYS A 30 -0.287 -0.168 9.789 1.00 0.00 N ATOM 233 CA LYS A 30 -0.084 0.785 10.873 1.00 0.00 C ATOM 234 C LYS A 30 1.300 0.640 11.496 1.00 0.00 C ATOM 235 O LYS A 30 1.955 1.637 11.794 1.00 0.00 O ATOM 236 CB LYS A 30 -1.162 0.631 11.948 1.00 0.00 C ATOM 237 CG LYS A 30 -2.349 1.558 11.749 1.00 0.00 C ATOM 238 CD LYS A 30 -1.962 3.012 11.976 1.00 0.00 C ATOM 239 CE LYS A 30 -3.125 3.948 11.695 1.00 0.00 C ATOM 240 NZ LYS A 30 -2.812 5.354 12.071 1.00 0.00 N ATOM 0 H LYS A 30 -0.995 -0.878 9.977 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.159 1.783 10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.513 -0.401 11.955 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.720 0.823 12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.741 1.438 10.739 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.148 1.281 12.436 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.628 3.144 13.005 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.122 3.271 11.332 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.378 3.904 10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.003 3.612 12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.632 5.960 11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.595 5.402 13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.990 5.684 11.526 1.00 0.00 H new ATOM 254 N ILE A 31 1.755 -0.591 11.698 1.00 0.00 N ATOM 255 CA ILE A 31 3.089 -0.801 12.246 1.00 0.00 C ATOM 256 C ILE A 31 4.133 -0.600 11.157 1.00 0.00 C ATOM 257 O ILE A 31 5.266 -0.244 11.438 1.00 0.00 O ATOM 258 CB ILE A 31 3.266 -2.192 12.902 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.207 -3.309 11.858 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.214 -2.403 13.978 1.00 0.00 C ATOM 261 CD1 ILE A 31 3.282 -4.702 12.445 1.00 0.00 C ATOM 0 H ILE A 31 1.232 -1.443 11.495 1.00 0.00 H new ATOM 0 HA ILE A 31 3.225 -0.064 13.037 1.00 0.00 H new ATOM 0 HB ILE A 31 4.252 -2.227 13.366 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.281 -3.214 11.290 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.028 -3.178 11.153 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.349 -3.385 14.432 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.316 -1.633 14.743 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.221 -2.343 13.533 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.234 -5.438 11.642 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.220 -4.818 12.988 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.446 -4.855 13.128 1.00 0.00 H new ATOM 273 N LEU A 32 3.726 -0.824 9.911 1.00 0.00 N ATOM 274 CA LEU A 32 4.564 -0.547 8.747 1.00 0.00 C ATOM 275 C LEU A 32 4.927 0.935 8.737 1.00 0.00 C ATOM 276 O LEU A 32 6.092 1.304 8.580 1.00 0.00 O ATOM 277 CB LEU A 32 3.791 -0.943 7.476 1.00 0.00 C ATOM 278 CG LEU A 32 4.595 -1.042 6.174 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.802 -1.814 5.132 1.00 0.00 C ATOM 280 CD2 LEU A 32 4.941 0.337 5.637 1.00 0.00 C ATOM 0 H LEU A 32 2.807 -1.202 9.679 1.00 0.00 H new ATOM 0 HA LEU A 32 5.487 -1.125 8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.316 -1.908 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.992 -0.217 7.326 1.00 0.00 H new ATOM 0 HG LEU A 32 5.524 -1.569 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.380 -1.880 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.595 -2.818 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.862 -1.299 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.511 0.235 4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.023 0.891 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.537 0.875 6.374 1.00 0.00 H new ATOM 292 N GLU A 33 3.899 1.756 8.928 1.00 0.00 N ATOM 293 CA GLU A 33 4.016 3.205 9.041 1.00 0.00 C ATOM 294 C GLU A 33 5.177 3.604 9.948 1.00 0.00 C ATOM 295 O GLU A 33 6.025 4.418 9.583 1.00 0.00 O ATOM 296 CB GLU A 33 2.695 3.718 9.611 1.00 0.00 C ATOM 297 CG GLU A 33 2.256 5.068 9.093 1.00 0.00 C ATOM 298 CD GLU A 33 2.842 6.222 9.874 1.00 0.00 C ATOM 299 OE1 GLU A 33 2.243 6.609 10.901 1.00 0.00 O ATOM 300 OE2 GLU A 33 3.886 6.759 9.467 1.00 0.00 O ATOM 0 H GLU A 33 2.938 1.423 9.010 1.00 0.00 H new ATOM 0 HA GLU A 33 4.219 3.641 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.914 2.990 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.782 3.773 10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.546 5.161 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.168 5.128 9.129 1.00 0.00 H new ATOM 307 N GLU A 34 5.208 3.020 11.129 1.00 0.00 N ATOM 308 CA GLU A 34 6.253 3.312 12.092 1.00 0.00 C ATOM 309 C GLU A 34 7.547 2.577 11.756 1.00 0.00 C ATOM 310 O GLU A 34 8.591 3.198 11.584 1.00 0.00 O ATOM 311 CB GLU A 34 5.784 2.935 13.497 1.00 0.00 C ATOM 312 CG GLU A 34 6.909 2.866 14.514 1.00 0.00 C ATOM 313 CD GLU A 34 6.404 2.665 15.924 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.759 1.628 16.189 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.645 3.547 16.774 1.00 0.00 O ATOM 0 H GLU A 34 4.519 2.338 11.447 1.00 0.00 H new ATOM 0 HA GLU A 34 6.459 4.382 12.051 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.046 3.664 13.833 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.282 1.968 13.456 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.581 2.049 14.252 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.492 3.786 14.468 1.00 0.00 H new ATOM 322 N ALA A 35 7.452 1.261 11.630 1.00 0.00 N ATOM 323 CA ALA A 35 8.614 0.377 11.585 1.00 0.00 C ATOM 324 C ALA A 35 9.594 0.738 10.475 1.00 0.00 C ATOM 325 O ALA A 35 10.807 0.698 10.684 1.00 0.00 O ATOM 326 CB ALA A 35 8.159 -1.067 11.442 1.00 0.00 C ATOM 0 H ALA A 35 6.561 0.770 11.555 1.00 0.00 H new ATOM 0 HA ALA A 35 9.151 0.505 12.525 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.030 -1.721 11.409 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.534 -1.338 12.293 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.586 -1.179 10.521 1.00 0.00 H new ATOM 332 N MET A 36 9.077 1.101 9.309 1.00 0.00 N ATOM 333 CA MET A 36 9.925 1.415 8.168 1.00 0.00 C ATOM 334 C MET A 36 10.842 2.597 8.455 1.00 0.00 C ATOM 335 O MET A 36 12.019 2.577 8.088 1.00 0.00 O ATOM 336 CB MET A 36 9.071 1.686 6.937 1.00 0.00 C ATOM 337 CG MET A 36 8.292 0.466 6.486 1.00 0.00 C ATOM 338 SD MET A 36 9.362 -0.885 5.952 1.00 0.00 S ATOM 339 CE MET A 36 8.149 -2.136 5.536 1.00 0.00 C ATOM 0 H MET A 36 8.077 1.185 9.129 1.00 0.00 H new ATOM 0 HA MET A 36 10.560 0.550 7.976 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.375 2.497 7.154 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.712 2.025 6.123 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.659 0.121 7.304 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.630 0.745 5.666 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.641 -2.964 5.025 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.677 -2.502 6.448 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.391 -1.705 4.882 1.00 0.00 H new ATOM 349 N GLU A 37 10.321 3.624 9.114 1.00 0.00 N ATOM 350 CA GLU A 37 11.157 4.771 9.461 1.00 0.00 C ATOM 351 C GLU A 37 11.787 4.579 10.840 1.00 0.00 C ATOM 352 O GLU A 37 12.749 5.259 11.197 1.00 0.00 O ATOM 353 CB GLU A 37 10.362 6.077 9.440 1.00 0.00 C ATOM 354 CG GLU A 37 11.254 7.308 9.329 1.00 0.00 C ATOM 355 CD GLU A 37 10.622 8.551 9.920 1.00 0.00 C ATOM 356 OE1 GLU A 37 10.730 8.754 11.148 1.00 0.00 O ATOM 357 OE2 GLU A 37 10.018 9.339 9.165 1.00 0.00 O ATOM 0 H GLU A 37 9.348 3.690 9.414 1.00 0.00 H new ATOM 0 HA GLU A 37 11.943 4.836 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.667 6.061 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.764 6.148 10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.199 7.112 9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.486 7.489 8.279 1.00 0.00 H new ATOM 364 N ASN A 38 11.235 3.649 11.610 1.00 0.00 N ATOM 365 CA ASN A 38 11.686 3.404 12.978 1.00 0.00 C ATOM 366 C ASN A 38 13.052 2.740 12.990 1.00 0.00 C ATOM 367 O ASN A 38 13.796 2.855 13.966 1.00 0.00 O ATOM 368 CB ASN A 38 10.672 2.538 13.732 1.00 0.00 C ATOM 369 CG ASN A 38 10.992 2.411 15.210 1.00 0.00 C ATOM 370 OD1 ASN A 38 10.603 3.262 16.013 1.00 0.00 O ATOM 371 ND2 ASN A 38 11.682 1.344 15.585 1.00 0.00 N ATOM 0 H ASN A 38 10.469 3.047 11.309 1.00 0.00 H new ATOM 0 HA ASN A 38 11.768 4.367 13.481 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.677 2.967 13.616 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.645 1.545 13.284 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.909 1.204 16.569 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.986 0.663 14.889 1.00 0.00 H new ATOM 378 N ASP A 39 13.375 2.041 11.906 1.00 0.00 N ATOM 379 CA ASP A 39 14.680 1.417 11.759 1.00 0.00 C ATOM 380 C ASP A 39 15.779 2.443 11.987 1.00 0.00 C ATOM 381 O ASP A 39 15.712 3.570 11.495 1.00 0.00 O ATOM 382 CB ASP A 39 14.833 0.796 10.369 1.00 0.00 C ATOM 383 CG ASP A 39 16.163 0.085 10.204 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.253 -1.105 10.571 1.00 0.00 O ATOM 385 OD2 ASP A 39 17.127 0.711 9.722 1.00 0.00 O ATOM 0 H ASP A 39 12.747 1.894 11.116 1.00 0.00 H new ATOM 0 HA ASP A 39 14.765 0.626 12.504 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.021 0.089 10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.743 1.575 9.612 1.00 0.00 H new ATOM 390 N THR A 40 16.775 2.035 12.756 1.00 0.00 N ATOM 391 CA THR A 40 17.860 2.911 13.172 1.00 0.00 C ATOM 392 C THR A 40 18.610 3.521 11.988 1.00 0.00 C ATOM 393 O THR A 40 19.169 4.612 12.102 1.00 0.00 O ATOM 394 CB THR A 40 18.850 2.150 14.072 1.00 0.00 C ATOM 395 OG1 THR A 40 19.183 0.886 13.476 1.00 0.00 O ATOM 396 CG2 THR A 40 18.258 1.924 15.455 1.00 0.00 C ATOM 0 H THR A 40 16.855 1.082 13.111 1.00 0.00 H new ATOM 0 HA THR A 40 17.405 3.729 13.730 1.00 0.00 H new ATOM 0 HB THR A 40 19.753 2.752 14.174 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.815 0.408 14.053 1.00 0.00 H new ATOM 0 HG21 THR A 40 18.975 1.385 16.074 1.00 0.00 H new ATOM 0 HG22 THR A 40 18.032 2.886 15.916 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.342 1.340 15.368 1.00 0.00 H new ATOM 404 N GLU A 41 18.645 2.809 10.868 1.00 0.00 N ATOM 405 CA GLU A 41 19.265 3.292 9.667 1.00 0.00 C ATOM 406 C GLU A 41 18.227 3.829 8.687 1.00 0.00 C ATOM 407 O GLU A 41 18.599 4.392 7.658 1.00 0.00 O ATOM 408 CB GLU A 41 20.019 2.140 9.036 1.00 0.00 C ATOM 409 CG GLU A 41 21.151 1.619 9.896 1.00 0.00 C ATOM 410 CD GLU A 41 22.011 0.598 9.183 1.00 0.00 C ATOM 411 OE1 GLU A 41 22.719 0.971 8.225 1.00 0.00 O ATOM 412 OE2 GLU A 41 21.990 -0.585 9.584 1.00 0.00 O ATOM 0 H GLU A 41 18.239 1.878 10.780 1.00 0.00 H new ATOM 0 HA GLU A 41 19.941 4.111 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 41 19.322 1.327 8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 41 20.421 2.461 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 41 21.775 2.455 10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.738 1.171 10.799 1.00 0.00 H new ATOM 419 N ASN A 42 16.941 3.675 9.024 1.00 0.00 N ATOM 420 CA ASN A 42 15.826 4.122 8.183 1.00 0.00 C ATOM 421 C ASN A 42 16.113 3.873 6.702 1.00 0.00 C ATOM 422 O ASN A 42 16.212 4.800 5.893 1.00 0.00 O ATOM 423 CB ASN A 42 15.454 5.597 8.471 1.00 0.00 C ATOM 424 CG ASN A 42 16.598 6.586 8.284 1.00 0.00 C ATOM 425 OD1 ASN A 42 17.378 6.828 9.204 1.00 0.00 O ATOM 426 ND2 ASN A 42 16.693 7.181 7.106 1.00 0.00 N ATOM 0 H ASN A 42 16.644 3.234 9.894 1.00 0.00 H new ATOM 0 HA ASN A 42 14.952 3.523 8.441 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.631 5.885 7.817 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.089 5.673 9.495 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.431 7.865 6.938 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.028 6.956 6.366 1.00 0.00 H new ATOM 433 N LEU A 43 16.230 2.587 6.366 1.00 0.00 N ATOM 434 CA LEU A 43 16.590 2.139 5.018 1.00 0.00 C ATOM 435 C LEU A 43 15.605 2.636 3.965 1.00 0.00 C ATOM 436 O LEU A 43 15.866 2.541 2.765 1.00 0.00 O ATOM 437 CB LEU A 43 16.645 0.610 4.977 1.00 0.00 C ATOM 438 CG LEU A 43 17.648 -0.035 5.933 1.00 0.00 C ATOM 439 CD1 LEU A 43 17.499 -1.546 5.913 1.00 0.00 C ATOM 440 CD2 LEU A 43 19.070 0.362 5.565 1.00 0.00 C ATOM 0 H LEU A 43 16.077 1.823 7.024 1.00 0.00 H new ATOM 0 HA LEU A 43 17.569 2.559 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.652 0.221 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.886 0.299 3.960 1.00 0.00 H new ATOM 0 HG LEU A 43 17.442 0.323 6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.220 -1.992 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.489 -1.816 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.681 -1.916 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.769 -0.107 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.288 0.032 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.172 1.446 5.625 1.00 0.00 H new ATOM 452 N ILE A 44 14.482 3.174 4.424 1.00 0.00 N ATOM 453 CA ILE A 44 13.446 3.689 3.540 1.00 0.00 C ATOM 454 C ILE A 44 14.005 4.771 2.607 1.00 0.00 C ATOM 455 O ILE A 44 13.494 4.976 1.509 1.00 0.00 O ATOM 456 CB ILE A 44 12.262 4.263 4.353 1.00 0.00 C ATOM 457 CG1 ILE A 44 11.040 4.442 3.458 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.638 5.586 5.011 1.00 0.00 C ATOM 459 CD1 ILE A 44 10.329 3.146 3.134 1.00 0.00 C ATOM 0 H ILE A 44 14.265 3.265 5.416 1.00 0.00 H new ATOM 0 HA ILE A 44 13.088 2.856 2.935 1.00 0.00 H new ATOM 0 HB ILE A 44 12.018 3.552 5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.339 5.119 3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.348 4.919 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.787 5.966 5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.480 5.431 5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.916 6.308 4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.471 3.352 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.014 2.474 2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.989 2.677 4.057 1.00 0.00 H new ATOM 471 N GLU A 45 15.074 5.438 3.047 1.00 0.00 N ATOM 472 CA GLU A 45 15.703 6.504 2.272 1.00 0.00 C ATOM 473 C GLU A 45 16.205 6.001 0.918 1.00 0.00 C ATOM 474 O GLU A 45 16.182 6.730 -0.073 1.00 0.00 O ATOM 475 CB GLU A 45 16.873 7.106 3.048 1.00 0.00 C ATOM 476 CG GLU A 45 17.850 6.059 3.542 1.00 0.00 C ATOM 477 CD GLU A 45 19.236 6.613 3.790 1.00 0.00 C ATOM 478 OE1 GLU A 45 19.439 7.298 4.815 1.00 0.00 O ATOM 479 OE2 GLU A 45 20.132 6.369 2.953 1.00 0.00 O ATOM 0 H GLU A 45 15.524 5.255 3.944 1.00 0.00 H new ATOM 0 HA GLU A 45 14.943 7.265 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.400 7.816 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.488 7.668 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.469 5.622 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.912 5.254 2.810 1.00 0.00 H new ATOM 486 N LYS A 46 16.643 4.750 0.878 1.00 0.00 N ATOM 487 CA LYS A 46 17.265 4.195 -0.316 1.00 0.00 C ATOM 488 C LYS A 46 16.224 3.713 -1.317 1.00 0.00 C ATOM 489 O LYS A 46 16.514 3.554 -2.502 1.00 0.00 O ATOM 490 CB LYS A 46 18.195 3.051 0.069 1.00 0.00 C ATOM 491 CG LYS A 46 19.460 3.529 0.755 1.00 0.00 C ATOM 492 CD LYS A 46 20.252 2.381 1.341 1.00 0.00 C ATOM 493 CE LYS A 46 21.558 2.870 1.940 1.00 0.00 C ATOM 494 NZ LYS A 46 21.352 3.940 2.955 1.00 0.00 N ATOM 0 H LYS A 46 16.579 4.099 1.661 1.00 0.00 H new ATOM 0 HA LYS A 46 17.842 4.986 -0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.665 2.365 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.462 2.489 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.079 4.069 0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 46 19.200 4.232 1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.661 1.881 2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.457 1.643 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.080 2.031 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.201 3.247 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.265 4.193 3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.940 4.778 2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.706 3.597 3.695 1.00 0.00 H new ATOM 508 N VAL A 47 15.015 3.503 -0.838 1.00 0.00 N ATOM 509 CA VAL A 47 13.945 2.964 -1.663 1.00 0.00 C ATOM 510 C VAL A 47 12.734 3.903 -1.622 1.00 0.00 C ATOM 511 O VAL A 47 11.581 3.484 -1.689 1.00 0.00 O ATOM 512 CB VAL A 47 13.581 1.525 -1.208 1.00 0.00 C ATOM 513 CG1 VAL A 47 13.078 1.510 0.226 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.576 0.870 -2.149 1.00 0.00 C ATOM 0 H VAL A 47 14.744 3.698 0.126 1.00 0.00 H new ATOM 0 HA VAL A 47 14.282 2.898 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 47 14.496 0.935 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.832 0.488 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.853 1.897 0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.188 2.134 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.348 -0.135 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.661 1.462 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.999 0.814 -3.152 1.00 0.00 H new ATOM 524 N ARG A 48 13.017 5.192 -1.484 1.00 0.00 N ATOM 525 CA ARG A 48 11.971 6.198 -1.422 1.00 0.00 C ATOM 526 C ARG A 48 11.079 6.170 -2.647 1.00 0.00 C ATOM 527 O ARG A 48 11.483 6.533 -3.755 1.00 0.00 O ATOM 528 CB ARG A 48 12.564 7.584 -1.221 1.00 0.00 C ATOM 529 CG ARG A 48 13.004 7.806 0.203 1.00 0.00 C ATOM 530 CD ARG A 48 13.403 9.246 0.456 1.00 0.00 C ATOM 531 NE ARG A 48 14.531 9.664 -0.371 1.00 0.00 N ATOM 532 CZ ARG A 48 15.390 10.619 -0.020 1.00 0.00 C ATOM 533 NH1 ARG A 48 15.255 11.241 1.146 1.00 0.00 N ATOM 534 NH2 ARG A 48 16.387 10.947 -0.829 1.00 0.00 N ATOM 0 H ARG A 48 13.964 5.563 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 48 11.347 5.958 -0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.416 7.715 -1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.826 8.338 -1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.195 7.530 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.846 7.152 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.551 9.896 0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.662 9.369 1.508 1.00 0.00 H new ATOM 0 HE ARG A 48 14.669 9.198 -1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.492 10.987 1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.914 11.972 1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 48 16.498 10.468 -1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 48 17.044 11.679 -0.558 1.00 0.00 H new ATOM 548 N GLY A 49 9.859 5.737 -2.413 1.00 0.00 N ATOM 549 CA GLY A 49 8.876 5.608 -3.465 1.00 0.00 C ATOM 550 C GLY A 49 7.494 5.431 -2.885 1.00 0.00 C ATOM 551 O GLY A 49 7.349 5.261 -1.680 1.00 0.00 O ATOM 0 H GLY A 49 9.522 5.465 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.898 6.493 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.122 4.755 -4.097 1.00 0.00 H new ATOM 555 N ILE A 50 6.472 5.483 -3.712 1.00 0.00 N ATOM 556 CA ILE A 50 5.115 5.332 -3.217 1.00 0.00 C ATOM 557 C ILE A 50 4.553 3.960 -3.565 1.00 0.00 C ATOM 558 O ILE A 50 4.569 3.544 -4.724 1.00 0.00 O ATOM 559 CB ILE A 50 4.196 6.444 -3.758 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.740 7.808 -3.322 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.767 6.246 -3.273 1.00 0.00 C ATOM 562 CD1 ILE A 50 3.890 8.984 -3.747 1.00 0.00 C ATOM 0 H ILE A 50 6.549 5.627 -4.719 1.00 0.00 H new ATOM 0 HA ILE A 50 5.152 5.421 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 50 4.181 6.400 -4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.835 7.817 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.743 7.933 -3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.135 7.042 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.395 5.282 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.746 6.271 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.348 9.909 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.815 9.005 -4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.893 8.887 -3.316 1.00 0.00 H new ATOM 574 N TYR A 51 4.068 3.260 -2.551 1.00 0.00 N ATOM 575 CA TYR A 51 3.523 1.923 -2.728 1.00 0.00 C ATOM 576 C TYR A 51 2.010 1.955 -2.583 1.00 0.00 C ATOM 577 O TYR A 51 1.492 2.300 -1.524 1.00 0.00 O ATOM 578 CB TYR A 51 4.101 0.958 -1.690 1.00 0.00 C ATOM 579 CG TYR A 51 5.600 1.041 -1.529 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.449 0.353 -2.381 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.164 1.805 -0.515 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.817 0.421 -2.230 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.533 1.880 -0.359 1.00 0.00 C ATOM 584 CZ TYR A 51 8.353 1.186 -1.219 1.00 0.00 C ATOM 585 OH TYR A 51 9.712 1.253 -1.067 1.00 0.00 O ATOM 0 H TYR A 51 4.041 3.599 -1.589 1.00 0.00 H new ATOM 0 HA TYR A 51 3.794 1.578 -3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.633 1.157 -0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.834 -0.061 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.032 -0.246 -3.177 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.521 2.349 0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.465 -0.123 -2.901 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.958 2.479 0.433 1.00 0.00 H new ATOM 0 HH TYR A 51 10.022 2.155 -1.291 1.00 0.00 H new ATOM 595 N GLY A 52 1.303 1.605 -3.638 1.00 0.00 N ATOM 596 CA GLY A 52 -0.139 1.551 -3.563 1.00 0.00 C ATOM 597 C GLY A 52 -0.621 0.143 -3.300 1.00 0.00 C ATOM 598 O GLY A 52 -0.558 -0.713 -4.179 1.00 0.00 O ATOM 0 H GLY A 52 1.698 1.357 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.489 2.212 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.568 1.917 -4.496 1.00 0.00 H new ATOM 602 N PHE A 53 -1.078 -0.111 -2.089 1.00 0.00 N ATOM 603 CA PHE A 53 -1.549 -1.439 -1.730 1.00 0.00 C ATOM 604 C PHE A 53 -3.054 -1.552 -1.893 1.00 0.00 C ATOM 605 O PHE A 53 -3.826 -1.017 -1.094 1.00 0.00 O ATOM 606 CB PHE A 53 -1.141 -1.797 -0.301 1.00 0.00 C ATOM 607 CG PHE A 53 0.147 -2.566 -0.218 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.361 -1.956 -0.492 1.00 0.00 C ATOM 609 CD2 PHE A 53 0.141 -3.904 0.141 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.543 -2.666 -0.408 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.318 -4.620 0.226 1.00 0.00 C ATOM 612 CZ PHE A 53 2.521 -4.000 -0.048 1.00 0.00 C ATOM 0 H PHE A 53 -1.134 0.579 -1.340 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.079 -2.148 -2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.045 -0.880 0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.936 -2.385 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.383 -0.914 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.797 -4.393 0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.483 -2.179 -0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.298 -5.663 0.506 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.444 -4.557 0.019 1.00 0.00 H new ATOM 622 N LYS A 54 -3.458 -2.245 -2.943 1.00 0.00 N ATOM 623 CA LYS A 54 -4.858 -2.517 -3.203 1.00 0.00 C ATOM 624 C LYS A 54 -5.244 -3.840 -2.557 1.00 0.00 C ATOM 625 O LYS A 54 -4.968 -4.914 -3.097 1.00 0.00 O ATOM 626 CB LYS A 54 -5.117 -2.557 -4.711 1.00 0.00 C ATOM 627 CG LYS A 54 -5.016 -1.202 -5.386 1.00 0.00 C ATOM 628 CD LYS A 54 -5.298 -1.303 -6.876 1.00 0.00 C ATOM 629 CE LYS A 54 -5.205 0.056 -7.553 1.00 0.00 C ATOM 630 NZ LYS A 54 -6.238 1.001 -7.053 1.00 0.00 N ATOM 0 H LYS A 54 -2.823 -2.635 -3.639 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.468 -1.722 -2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.403 -3.238 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.111 -2.968 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.723 -0.511 -4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.019 -0.789 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.588 -1.990 -7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.292 -1.721 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.215 0.479 -7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.318 -0.067 -8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.274 1.835 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.166 0.531 -7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.998 1.298 -6.086 1.00 0.00 H new ATOM 644 N VAL A 55 -5.872 -3.756 -1.397 1.00 0.00 N ATOM 645 CA VAL A 55 -6.163 -4.936 -0.600 1.00 0.00 C ATOM 646 C VAL A 55 -7.611 -5.378 -0.790 1.00 0.00 C ATOM 647 O VAL A 55 -8.537 -4.585 -0.637 1.00 0.00 O ATOM 648 CB VAL A 55 -5.906 -4.674 0.897 1.00 0.00 C ATOM 649 CG1 VAL A 55 -5.894 -5.977 1.675 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.601 -3.920 1.098 1.00 0.00 C ATOM 0 H VAL A 55 -6.191 -2.880 -0.984 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.497 -5.728 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.719 -4.055 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.711 -5.770 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.857 -6.475 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.105 -6.623 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.441 -3.747 2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.775 -4.509 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.650 -2.963 0.578 1.00 0.00 H new ATOM 660 N ARG A 56 -7.799 -6.644 -1.123 1.00 0.00 N ATOM 661 CA ARG A 56 -9.134 -7.182 -1.349 1.00 0.00 C ATOM 662 C ARG A 56 -9.498 -8.198 -0.271 1.00 0.00 C ATOM 663 O ARG A 56 -8.712 -8.440 0.643 1.00 0.00 O ATOM 664 CB ARG A 56 -9.218 -7.832 -2.730 1.00 0.00 C ATOM 665 CG ARG A 56 -8.872 -6.889 -3.869 1.00 0.00 C ATOM 666 CD ARG A 56 -9.233 -7.491 -5.212 1.00 0.00 C ATOM 667 NE ARG A 56 -10.665 -7.781 -5.304 1.00 0.00 N ATOM 668 CZ ARG A 56 -11.258 -8.288 -6.381 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.539 -8.607 -7.451 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.571 -8.486 -6.386 1.00 0.00 N ATOM 0 H ARG A 56 -7.045 -7.320 -1.243 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.845 -6.357 -1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.544 -8.688 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.227 -8.215 -2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.402 -5.946 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.806 -6.662 -3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.948 -6.803 -6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.665 -8.408 -5.365 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.245 -7.581 -4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.529 -8.463 -7.448 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.997 -8.996 -8.276 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.126 -8.249 -5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.025 -8.875 -7.212 1.00 0.00 H new ATOM 684 N ASN A 57 -10.689 -8.791 -0.394 1.00 0.00 N ATOM 685 CA ASN A 57 -11.179 -9.789 0.564 1.00 0.00 C ATOM 686 C ASN A 57 -11.339 -9.186 1.949 1.00 0.00 C ATOM 687 O ASN A 57 -10.893 -9.755 2.947 1.00 0.00 O ATOM 688 CB ASN A 57 -10.250 -11.006 0.637 1.00 0.00 C ATOM 689 CG ASN A 57 -10.346 -11.904 -0.581 1.00 0.00 C ATOM 690 OD1 ASN A 57 -10.640 -11.449 -1.686 1.00 0.00 O ATOM 691 ND2 ASN A 57 -10.094 -13.189 -0.389 1.00 0.00 N ATOM 0 H ASN A 57 -11.338 -8.595 -1.156 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.154 -10.120 0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.221 -10.664 0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.491 -11.586 1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.140 -13.840 -1.173 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.854 -13.528 0.543 1.00 0.00 H new ATOM 698 N GLY A 58 -11.971 -8.026 2.003 1.00 0.00 N ATOM 699 CA GLY A 58 -12.225 -7.373 3.267 1.00 0.00 C ATOM 700 C GLY A 58 -13.385 -7.996 4.022 1.00 0.00 C ATOM 701 O GLY A 58 -13.884 -9.050 3.625 1.00 0.00 O ATOM 0 H GLY A 58 -12.315 -7.521 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.327 -7.421 3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.435 -6.318 3.091 1.00 0.00 H new ATOM 705 N PRO A 59 -13.842 -7.331 5.102 1.00 0.00 N ATOM 706 CA PRO A 59 -14.881 -7.834 6.013 1.00 0.00 C ATOM 707 C PRO A 59 -16.007 -8.601 5.318 1.00 0.00 C ATOM 708 O PRO A 59 -16.218 -9.784 5.577 1.00 0.00 O ATOM 709 CB PRO A 59 -15.425 -6.552 6.633 1.00 0.00 C ATOM 710 CG PRO A 59 -14.277 -5.601 6.644 1.00 0.00 C ATOM 711 CD PRO A 59 -13.349 -6.011 5.532 1.00 0.00 C ATOM 0 HA PRO A 59 -14.472 -8.556 6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.258 -6.156 6.051 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.797 -6.730 7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.624 -4.578 6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.763 -5.630 7.605 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.372 -5.293 4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.317 -6.067 5.878 1.00 0.00 H new ATOM 719 N ASN A 60 -16.718 -7.927 4.426 1.00 0.00 N ATOM 720 CA ASN A 60 -17.799 -8.558 3.679 1.00 0.00 C ATOM 721 C ASN A 60 -17.550 -8.371 2.186 1.00 0.00 C ATOM 722 O ASN A 60 -18.326 -7.722 1.484 1.00 0.00 O ATOM 723 CB ASN A 60 -19.151 -7.956 4.090 1.00 0.00 C ATOM 724 CG ASN A 60 -20.344 -8.776 3.614 1.00 0.00 C ATOM 725 OD1 ASN A 60 -20.298 -9.436 2.578 1.00 0.00 O ATOM 726 ND2 ASN A 60 -21.424 -8.738 4.378 1.00 0.00 N ATOM 0 H ASN A 60 -16.567 -6.944 4.201 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.827 -9.624 3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.188 -7.870 5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.229 -6.946 3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.255 -9.268 4.114 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.426 -8.179 5.231 1.00 0.00 H new ATOM 733 N GLY A 61 -16.429 -8.910 1.719 1.00 0.00 N ATOM 734 CA GLY A 61 -16.051 -8.760 0.325 1.00 0.00 C ATOM 735 C GLY A 61 -15.628 -7.341 0.014 1.00 0.00 C ATOM 736 O GLY A 61 -15.558 -6.939 -1.148 1.00 0.00 O ATOM 0 H GLY A 61 -15.773 -9.450 2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.234 -9.443 0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.890 -9.038 -0.312 1.00 0.00 H new ATOM 740 N ALA A 62 -15.350 -6.585 1.069 1.00 0.00 N ATOM 741 CA ALA A 62 -14.959 -5.192 0.944 1.00 0.00 C ATOM 742 C ALA A 62 -13.539 -5.077 0.421 1.00 0.00 C ATOM 743 O ALA A 62 -12.807 -6.063 0.352 1.00 0.00 O ATOM 744 CB ALA A 62 -15.103 -4.483 2.285 1.00 0.00 C ATOM 0 H ALA A 62 -15.390 -6.922 2.031 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.620 -4.708 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.807 -3.439 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.141 -4.534 2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.464 -4.968 3.023 1.00 0.00 H new ATOM 750 N GLU A 63 -13.161 -3.873 0.053 1.00 0.00 N ATOM 751 CA GLU A 63 -11.863 -3.630 -0.535 1.00 0.00 C ATOM 752 C GLU A 63 -11.230 -2.383 0.048 1.00 0.00 C ATOM 753 O GLU A 63 -11.886 -1.352 0.216 1.00 0.00 O ATOM 754 CB GLU A 63 -12.002 -3.508 -2.046 1.00 0.00 C ATOM 755 CG GLU A 63 -12.006 -4.848 -2.754 1.00 0.00 C ATOM 756 CD GLU A 63 -12.384 -4.735 -4.213 1.00 0.00 C ATOM 757 OE1 GLU A 63 -11.555 -4.262 -5.014 1.00 0.00 O ATOM 758 OE2 GLU A 63 -13.515 -5.123 -4.567 1.00 0.00 O ATOM 0 H GLU A 63 -13.741 -3.040 0.152 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.209 -4.471 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.926 -2.979 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.182 -2.902 -2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.018 -5.300 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.705 -5.517 -2.252 1.00 0.00 H new ATOM 765 N GLY A 64 -9.956 -2.491 0.353 1.00 0.00 N ATOM 766 CA GLY A 64 -9.234 -1.389 0.939 1.00 0.00 C ATOM 767 C GLY A 64 -8.075 -0.969 0.073 1.00 0.00 C ATOM 768 O GLY A 64 -7.644 -1.720 -0.804 1.00 0.00 O ATOM 0 H GLY A 64 -9.400 -3.333 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.909 -0.545 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.868 -1.675 1.925 1.00 0.00 H new ATOM 772 N TYR A 65 -7.568 0.224 0.308 1.00 0.00 N ATOM 773 CA TYR A 65 -6.467 0.743 -0.476 1.00 0.00 C ATOM 774 C TYR A 65 -5.623 1.690 0.364 1.00 0.00 C ATOM 775 O TYR A 65 -6.096 2.744 0.790 1.00 0.00 O ATOM 776 CB TYR A 65 -7.005 1.455 -1.719 1.00 0.00 C ATOM 777 CG TYR A 65 -5.932 2.049 -2.601 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.823 1.305 -2.973 1.00 0.00 C ATOM 779 CD2 TYR A 65 -6.029 3.356 -3.053 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.839 1.845 -3.772 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.049 3.904 -3.855 1.00 0.00 C ATOM 782 CZ TYR A 65 -3.957 3.146 -4.211 1.00 0.00 C ATOM 783 OH TYR A 65 -2.979 3.688 -5.008 1.00 0.00 O ATOM 0 H TYR A 65 -7.902 0.854 1.038 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.834 -0.085 -0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.592 0.747 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.683 2.249 -1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.729 0.285 -2.631 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.884 3.954 -2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.981 1.253 -4.052 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.139 4.923 -4.202 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.214 4.613 -5.231 1.00 0.00 H new ATOM 793 N TRP A 66 -4.381 1.309 0.608 1.00 0.00 N ATOM 794 CA TRP A 66 -3.484 2.127 1.406 1.00 0.00 C ATOM 795 C TRP A 66 -2.280 2.540 0.585 1.00 0.00 C ATOM 796 O TRP A 66 -1.602 1.707 -0.016 1.00 0.00 O ATOM 797 CB TRP A 66 -3.027 1.406 2.681 1.00 0.00 C ATOM 798 CG TRP A 66 -4.113 1.224 3.697 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.350 2.010 4.788 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.108 0.195 3.725 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.427 1.533 5.491 1.00 0.00 N ATOM 802 CE2 TRP A 66 -5.911 0.418 4.859 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.399 -0.893 2.900 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -6.984 -0.406 5.186 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.463 -1.710 3.226 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.243 -1.464 4.360 1.00 0.00 C ATOM 0 H TRP A 66 -3.971 0.440 0.266 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.039 3.015 1.710 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.628 0.428 2.411 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.211 1.970 3.133 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.773 2.882 5.059 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.806 1.942 6.345 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.802 -1.092 2.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.590 -0.217 6.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.697 -2.554 2.594 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.067 -2.124 4.588 1.00 0.00 H new ATOM 817 N VAL A 67 -2.044 3.833 0.545 1.00 0.00 N ATOM 818 CA VAL A 67 -0.902 4.385 -0.148 1.00 0.00 C ATOM 819 C VAL A 67 0.248 4.578 0.829 1.00 0.00 C ATOM 820 O VAL A 67 0.178 5.424 1.721 1.00 0.00 O ATOM 821 CB VAL A 67 -1.254 5.735 -0.809 1.00 0.00 C ATOM 822 CG1 VAL A 67 -0.006 6.446 -1.298 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.232 5.536 -1.956 1.00 0.00 C ATOM 0 H VAL A 67 -2.639 4.531 0.992 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.606 3.686 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.729 6.361 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.284 7.394 -1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.659 6.634 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.505 5.822 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.466 6.501 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.785 4.884 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.148 5.081 -1.579 1.00 0.00 H new ATOM 833 N ILE A 68 1.287 3.776 0.679 1.00 0.00 N ATOM 834 CA ILE A 68 2.466 3.919 1.507 1.00 0.00 C ATOM 835 C ILE A 68 3.419 4.897 0.844 1.00 0.00 C ATOM 836 O ILE A 68 4.147 4.556 -0.091 1.00 0.00 O ATOM 837 CB ILE A 68 3.196 2.577 1.771 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.280 1.571 2.481 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.452 2.811 2.602 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.324 0.842 1.563 1.00 0.00 C ATOM 0 H ILE A 68 1.336 3.022 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 68 2.137 4.290 2.478 1.00 0.00 H new ATOM 0 HB ILE A 68 3.477 2.158 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.898 0.838 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.704 2.097 3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 68 4.954 1.860 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.124 3.481 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.178 3.260 3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.715 0.151 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.677 1.564 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.890 0.285 0.816 1.00 0.00 H new ATOM 852 N ASN A 69 3.380 6.123 1.321 1.00 0.00 N ATOM 853 CA ASN A 69 4.218 7.177 0.800 1.00 0.00 C ATOM 854 C ASN A 69 5.586 7.102 1.447 1.00 0.00 C ATOM 855 O ASN A 69 5.743 7.435 2.622 1.00 0.00 O ATOM 856 CB ASN A 69 3.596 8.551 1.077 1.00 0.00 C ATOM 857 CG ASN A 69 4.271 9.669 0.300 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.459 9.594 -0.023 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.518 10.713 -0.004 1.00 0.00 N ATOM 0 H ASN A 69 2.766 6.415 2.081 1.00 0.00 H new ATOM 0 HA ASN A 69 4.311 7.047 -0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.537 8.524 0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.660 8.766 2.144 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.916 11.495 -0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.539 10.736 0.282 1.00 0.00 H new ATOM 866 N ALA A 70 6.561 6.632 0.695 1.00 0.00 N ATOM 867 CA ALA A 70 7.937 6.636 1.148 1.00 0.00 C ATOM 868 C ALA A 70 8.747 7.626 0.325 1.00 0.00 C ATOM 869 O ALA A 70 9.955 7.739 0.489 1.00 0.00 O ATOM 870 CB ALA A 70 8.528 5.241 1.048 1.00 0.00 C ATOM 0 H ALA A 70 6.424 6.241 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 70 7.969 6.944 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.562 5.259 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.951 4.556 1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.496 4.906 0.011 1.00 0.00 H new ATOM 876 N LYS A 71 8.054 8.358 -0.546 1.00 0.00 N ATOM 877 CA LYS A 71 8.689 9.300 -1.463 1.00 0.00 C ATOM 878 C LYS A 71 9.356 10.442 -0.698 1.00 0.00 C ATOM 879 O LYS A 71 10.423 10.924 -1.080 1.00 0.00 O ATOM 880 CB LYS A 71 7.633 9.852 -2.426 1.00 0.00 C ATOM 881 CG LYS A 71 8.176 10.782 -3.500 1.00 0.00 C ATOM 882 CD LYS A 71 9.135 10.075 -4.449 1.00 0.00 C ATOM 883 CE LYS A 71 8.468 8.909 -5.162 1.00 0.00 C ATOM 884 NZ LYS A 71 7.359 9.340 -6.059 1.00 0.00 N ATOM 0 H LYS A 71 7.039 8.314 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 71 9.463 8.779 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.130 9.015 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.879 10.387 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.346 11.198 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.689 11.619 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.507 10.787 -5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.998 9.713 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.214 8.371 -5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.080 8.210 -4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.940 8.506 -6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.631 9.829 -5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.731 9.986 -6.785 1.00 0.00 H new ATOM 898 N GLU A 72 8.719 10.862 0.383 1.00 0.00 N ATOM 899 CA GLU A 72 9.244 11.934 1.222 1.00 0.00 C ATOM 900 C GLU A 72 10.366 11.401 2.102 1.00 0.00 C ATOM 901 O GLU A 72 11.301 12.117 2.460 1.00 0.00 O ATOM 902 CB GLU A 72 8.130 12.482 2.109 1.00 0.00 C ATOM 903 CG GLU A 72 6.816 12.689 1.376 1.00 0.00 C ATOM 904 CD GLU A 72 5.621 12.612 2.304 1.00 0.00 C ATOM 905 OE1 GLU A 72 5.369 11.521 2.867 1.00 0.00 O ATOM 906 OE2 GLU A 72 4.921 13.630 2.472 1.00 0.00 O ATOM 0 H GLU A 72 7.831 10.476 0.704 1.00 0.00 H new ATOM 0 HA GLU A 72 9.630 12.728 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.968 11.796 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.451 13.432 2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.827 13.661 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.716 11.935 0.595 1.00 0.00 H new ATOM 913 N GLY A 73 10.253 10.125 2.437 1.00 0.00 N ATOM 914 CA GLY A 73 11.204 9.492 3.327 1.00 0.00 C ATOM 915 C GLY A 73 10.566 9.135 4.650 1.00 0.00 C ATOM 916 O GLY A 73 11.250 8.761 5.600 1.00 0.00 O ATOM 0 H GLY A 73 9.510 9.510 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.601 8.592 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.047 10.161 3.497 1.00 0.00 H new ATOM 920 N LYS A 74 9.244 9.256 4.700 1.00 0.00 N ATOM 921 CA LYS A 74 8.488 8.979 5.911 1.00 0.00 C ATOM 922 C LYS A 74 8.102 7.508 6.001 1.00 0.00 C ATOM 923 O LYS A 74 8.312 6.867 7.026 1.00 0.00 O ATOM 924 CB LYS A 74 7.224 9.846 5.963 1.00 0.00 C ATOM 925 CG LYS A 74 7.485 11.349 5.969 1.00 0.00 C ATOM 926 CD LYS A 74 8.229 11.791 7.221 1.00 0.00 C ATOM 927 CE LYS A 74 9.734 11.768 7.028 1.00 0.00 C ATOM 928 NZ LYS A 74 10.455 11.873 8.320 1.00 0.00 N ATOM 0 H LYS A 74 8.672 9.547 3.907 1.00 0.00 H new ATOM 0 HA LYS A 74 9.128 9.220 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.597 9.603 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.657 9.585 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.065 11.620 5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.537 11.882 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.914 12.799 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.960 11.138 8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.022 10.845 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.030 12.591 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.402 12.271 8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.924 12.494 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.545 10.928 8.745 1.00 0.00 H new ATOM 942 N GLY A 75 7.532 6.977 4.924 1.00 0.00 N ATOM 943 CA GLY A 75 7.089 5.596 4.940 1.00 0.00 C ATOM 944 C GLY A 75 5.698 5.458 5.526 1.00 0.00 C ATOM 945 O GLY A 75 5.382 4.456 6.166 1.00 0.00 O ATOM 0 H GLY A 75 7.370 7.474 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.097 5.200 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.789 4.996 5.521 1.00 0.00 H new ATOM 949 N LYS A 76 4.854 6.455 5.281 1.00 0.00 N ATOM 950 CA LYS A 76 3.544 6.509 5.913 1.00 0.00 C ATOM 951 C LYS A 76 2.476 5.944 4.990 1.00 0.00 C ATOM 952 O LYS A 76 2.544 6.118 3.779 1.00 0.00 O ATOM 953 CB LYS A 76 3.166 7.952 6.269 1.00 0.00 C ATOM 954 CG LYS A 76 2.945 8.848 5.054 1.00 0.00 C ATOM 955 CD LYS A 76 2.057 10.029 5.394 1.00 0.00 C ATOM 956 CE LYS A 76 1.809 10.925 4.189 1.00 0.00 C ATOM 957 NZ LYS A 76 2.932 11.866 3.935 1.00 0.00 N ATOM 0 H LYS A 76 5.054 7.233 4.652 1.00 0.00 H new ATOM 0 HA LYS A 76 3.599 5.911 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.258 7.942 6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.954 8.382 6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.906 9.207 4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.491 8.269 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.103 9.666 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.520 10.613 6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.653 10.305 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.892 11.493 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.614 12.621 3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.245 12.283 4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.723 11.352 3.498 1.00 0.00 H new ATOM 971 N VAL A 77 1.482 5.283 5.558 1.00 0.00 N ATOM 972 CA VAL A 77 0.397 4.746 4.760 1.00 0.00 C ATOM 973 C VAL A 77 -0.866 5.572 4.984 1.00 0.00 C ATOM 974 O VAL A 77 -1.158 5.998 6.105 1.00 0.00 O ATOM 975 CB VAL A 77 0.125 3.239 5.052 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.346 2.570 5.665 1.00 0.00 C ATOM 977 CG2 VAL A 77 -1.086 3.035 5.947 1.00 0.00 C ATOM 0 H VAL A 77 1.405 5.107 6.560 1.00 0.00 H new ATOM 0 HA VAL A 77 0.697 4.811 3.714 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.090 2.770 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.127 1.520 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.187 2.645 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.600 3.066 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.234 1.969 6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.924 3.539 6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.970 3.450 5.463 1.00 0.00 H new ATOM 987 N THR A 78 -1.579 5.840 3.908 1.00 0.00 N ATOM 988 CA THR A 78 -2.828 6.573 3.978 1.00 0.00 C ATOM 989 C THR A 78 -3.895 5.873 3.143 1.00 0.00 C ATOM 990 O THR A 78 -3.640 5.447 2.013 1.00 0.00 O ATOM 991 CB THR A 78 -2.650 8.041 3.512 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.926 8.670 3.317 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.837 8.116 2.228 1.00 0.00 C ATOM 0 H THR A 78 -1.311 5.558 2.965 1.00 0.00 H new ATOM 0 HA THR A 78 -3.149 6.594 5.019 1.00 0.00 H new ATOM 0 HB THR A 78 -2.109 8.571 4.296 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.793 9.596 3.025 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.729 9.158 1.926 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.851 7.683 2.396 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.348 7.561 1.441 1.00 0.00 H new ATOM 1001 N TYR A 79 -5.076 5.731 3.722 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.183 5.068 3.052 1.00 0.00 C ATOM 1003 C TYR A 79 -6.706 5.948 1.925 1.00 0.00 C ATOM 1004 O TYR A 79 -7.168 7.065 2.167 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.299 4.754 4.054 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.438 3.941 3.478 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.320 2.568 3.308 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.635 4.544 3.115 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.361 1.821 2.791 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.679 3.804 2.596 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.537 2.443 2.437 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.577 1.704 1.923 1.00 0.00 O ATOM 0 H TYR A 79 -5.293 6.068 4.660 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.831 4.128 2.627 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.872 4.213 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.697 5.691 4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.399 2.076 3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.752 5.610 3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.253 0.754 2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.602 4.290 2.316 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.333 2.296 1.727 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.614 5.431 0.701 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.970 6.180 -0.502 1.00 0.00 C ATOM 1024 C ASN A 80 -6.167 7.479 -0.556 1.00 0.00 C ATOM 1025 O ASN A 80 -6.724 8.578 -0.535 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.477 6.470 -0.540 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.970 6.826 -1.932 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -8.223 7.344 -2.762 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -10.237 6.551 -2.198 1.00 0.00 N ATOM 0 H ASN A 80 -6.291 4.482 0.516 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.726 5.577 -1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.020 5.597 -0.179 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.702 7.290 0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.624 6.769 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.826 6.121 -1.485 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.846 7.330 -0.616 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.952 8.473 -0.574 1.00 0.00 C ATOM 1038 C GLY A 81 -4.152 9.437 -1.725 1.00 0.00 C ATOM 1039 O GLY A 81 -4.110 10.653 -1.538 1.00 0.00 O ATOM 0 H GLY A 81 -4.376 6.428 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.099 9.005 0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.921 8.119 -0.582 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.366 8.900 -2.915 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.560 9.738 -4.083 1.00 0.00 C ATOM 1045 C GLY A 82 -3.254 10.046 -4.781 1.00 0.00 C ATOM 1046 O GLY A 82 -3.237 10.392 -5.963 1.00 0.00 O ATOM 0 H GLY A 82 -4.409 7.897 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.235 9.240 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.041 10.670 -3.785 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.156 9.912 -4.045 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.829 10.083 -4.611 1.00 0.00 C ATOM 1052 C GLU A 83 -0.574 8.997 -5.639 1.00 0.00 C ATOM 1053 O GLU A 83 -1.098 7.893 -5.511 1.00 0.00 O ATOM 1054 CB GLU A 83 0.236 10.008 -3.519 1.00 0.00 C ATOM 1055 CG GLU A 83 0.077 11.058 -2.439 1.00 0.00 C ATOM 1056 CD GLU A 83 0.053 12.465 -2.995 1.00 0.00 C ATOM 1057 OE1 GLU A 83 1.024 12.861 -3.675 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.948 13.177 -2.772 1.00 0.00 O ATOM 0 H GLU A 83 -2.163 9.684 -3.051 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.776 11.063 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.204 9.020 -3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.220 10.116 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.846 10.872 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.896 10.967 -1.726 1.00 0.00 H new ATOM 1065 N LYS A 84 0.219 9.308 -6.651 1.00 0.00 N ATOM 1066 CA LYS A 84 0.530 8.346 -7.692 1.00 0.00 C ATOM 1067 C LYS A 84 1.607 7.385 -7.211 1.00 0.00 C ATOM 1068 O LYS A 84 2.768 7.770 -7.054 1.00 0.00 O ATOM 1069 CB LYS A 84 0.992 9.052 -8.970 1.00 0.00 C ATOM 1070 CG LYS A 84 -0.090 9.880 -9.657 1.00 0.00 C ATOM 1071 CD LYS A 84 -0.352 11.206 -8.958 1.00 0.00 C ATOM 1072 CE LYS A 84 0.807 12.164 -9.116 1.00 0.00 C ATOM 1073 NZ LYS A 84 0.601 13.417 -8.343 1.00 0.00 N ATOM 0 H LYS A 84 0.659 10.220 -6.773 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.377 7.785 -7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.832 9.703 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.360 8.304 -9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.205 10.071 -10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.015 9.304 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.256 11.659 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.534 11.028 -7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.726 11.680 -8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.937 12.406 -10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.418 14.047 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.262 13.893 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.503 13.190 -7.333 1.00 0.00 H new ATOM 1087 N PRO A 85 1.236 6.123 -6.951 1.00 0.00 N ATOM 1088 CA PRO A 85 2.177 5.104 -6.505 1.00 0.00 C ATOM 1089 C PRO A 85 3.162 4.718 -7.594 1.00 0.00 C ATOM 1090 O PRO A 85 2.778 4.454 -8.737 1.00 0.00 O ATOM 1091 CB PRO A 85 1.291 3.905 -6.146 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.098 4.438 -6.093 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.132 5.597 -7.041 1.00 0.00 C ATOM 0 HA PRO A 85 2.784 5.459 -5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.380 3.115 -6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.583 3.474 -5.188 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.820 3.675 -6.384 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.357 4.753 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.380 5.284 -8.055 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.873 6.340 -6.746 1.00 0.00 H new ATOM 1101 N ASP A 86 4.436 4.714 -7.231 1.00 0.00 N ATOM 1102 CA ASP A 86 5.494 4.252 -8.115 1.00 0.00 C ATOM 1103 C ASP A 86 5.284 2.780 -8.435 1.00 0.00 C ATOM 1104 O ASP A 86 5.517 2.342 -9.559 1.00 0.00 O ATOM 1105 CB ASP A 86 6.866 4.453 -7.465 1.00 0.00 C ATOM 1106 CG ASP A 86 7.238 5.913 -7.289 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.779 6.533 -6.304 1.00 0.00 O ATOM 1108 OD2 ASP A 86 8.007 6.439 -8.123 1.00 0.00 O ATOM 0 H ASP A 86 4.764 5.030 -6.318 1.00 0.00 H new ATOM 0 HA ASP A 86 5.460 4.834 -9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.874 3.963 -6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.625 3.963 -8.075 1.00 0.00 H new ATOM 1113 N VAL A 87 4.841 2.027 -7.432 1.00 0.00 N ATOM 1114 CA VAL A 87 4.474 0.628 -7.614 1.00 0.00 C ATOM 1115 C VAL A 87 3.177 0.312 -6.872 1.00 0.00 C ATOM 1116 O VAL A 87 2.990 0.718 -5.725 1.00 0.00 O ATOM 1117 CB VAL A 87 5.579 -0.352 -7.145 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.709 -0.438 -8.151 1.00 0.00 C ATOM 1119 CG2 VAL A 87 6.129 0.037 -5.786 1.00 0.00 C ATOM 0 H VAL A 87 4.727 2.367 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 87 4.338 0.487 -8.686 1.00 0.00 H new ATOM 0 HB VAL A 87 5.113 -1.334 -7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.466 -1.134 -7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.320 -0.790 -9.106 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.156 0.548 -8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.901 -0.673 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.557 1.038 -5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.324 0.025 -5.051 1.00 0.00 H new ATOM 1129 N THR A 88 2.276 -0.387 -7.543 1.00 0.00 N ATOM 1130 CA THR A 88 1.021 -0.804 -6.937 1.00 0.00 C ATOM 1131 C THR A 88 0.979 -2.322 -6.804 1.00 0.00 C ATOM 1132 O THR A 88 1.386 -3.038 -7.719 1.00 0.00 O ATOM 1133 CB THR A 88 -0.182 -0.334 -7.779 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.081 1.076 -8.013 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.505 -0.649 -7.083 1.00 0.00 C ATOM 0 H THR A 88 2.391 -0.679 -8.513 1.00 0.00 H new ATOM 0 HA THR A 88 0.959 -0.348 -5.949 1.00 0.00 H new ATOM 0 HB THR A 88 -0.165 -0.870 -8.728 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.845 1.374 -8.550 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.333 -0.305 -7.703 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.589 -1.725 -6.930 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.538 -0.142 -6.119 1.00 0.00 H new ATOM 1143 N PHE A 89 0.506 -2.804 -5.662 1.00 0.00 N ATOM 1144 CA PHE A 89 0.372 -4.234 -5.428 1.00 0.00 C ATOM 1145 C PHE A 89 -1.070 -4.558 -5.061 1.00 0.00 C ATOM 1146 O PHE A 89 -1.640 -3.936 -4.168 1.00 0.00 O ATOM 1147 CB PHE A 89 1.292 -4.705 -4.293 1.00 0.00 C ATOM 1148 CG PHE A 89 2.728 -4.284 -4.437 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.158 -3.071 -3.927 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.646 -5.103 -5.071 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.476 -2.681 -4.049 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.966 -4.718 -5.199 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.382 -3.505 -4.687 1.00 0.00 C ATOM 0 H PHE A 89 0.208 -2.221 -4.880 1.00 0.00 H new ATOM 0 HA PHE A 89 0.658 -4.751 -6.344 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.907 -4.321 -3.348 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.250 -5.793 -4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.454 -2.422 -3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.326 -6.054 -5.470 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.799 -1.732 -3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.672 -5.365 -5.699 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.414 -3.201 -4.785 1.00 0.00 H new ATOM 1163 N THR A 90 -1.666 -5.501 -5.768 1.00 0.00 N ATOM 1164 CA THR A 90 -2.994 -5.977 -5.421 1.00 0.00 C ATOM 1165 C THR A 90 -2.871 -7.299 -4.672 1.00 0.00 C ATOM 1166 O THR A 90 -2.207 -8.220 -5.148 1.00 0.00 O ATOM 1167 CB THR A 90 -3.867 -6.159 -6.676 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.707 -5.020 -7.536 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.335 -6.311 -6.308 1.00 0.00 C ATOM 0 H THR A 90 -1.253 -5.952 -6.584 1.00 0.00 H new ATOM 0 HA THR A 90 -3.477 -5.234 -4.786 1.00 0.00 H new ATOM 0 HB THR A 90 -3.546 -7.066 -7.188 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.261 -5.134 -8.337 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.926 -6.438 -7.215 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.461 -7.184 -5.668 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.671 -5.420 -5.777 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.480 -7.373 -3.495 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.362 -8.545 -2.635 1.00 0.00 C ATOM 1179 C ILE A 91 -4.525 -8.607 -1.654 1.00 0.00 C ATOM 1180 O ILE A 91 -5.105 -7.588 -1.296 1.00 0.00 O ATOM 1181 CB ILE A 91 -1.995 -8.541 -1.895 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -1.087 -9.608 -2.497 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.145 -8.763 -0.397 1.00 0.00 C ATOM 1184 CD1 ILE A 91 -1.513 -11.023 -2.166 1.00 0.00 C ATOM 0 H ILE A 91 -4.065 -6.630 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.403 -9.440 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.550 -7.555 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.067 -9.487 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.069 -9.451 -2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.162 -8.751 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.760 -7.970 0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.621 -9.727 -0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.822 -11.728 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.506 -11.162 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.519 -11.199 -2.547 1.00 0.00 H new ATOM 1196 N SER A 92 -4.879 -9.814 -1.249 1.00 0.00 N ATOM 1197 CA SER A 92 -5.999 -10.026 -0.352 1.00 0.00 C ATOM 1198 C SER A 92 -5.568 -9.873 1.108 1.00 0.00 C ATOM 1199 O SER A 92 -4.465 -10.264 1.492 1.00 0.00 O ATOM 1200 CB SER A 92 -6.568 -11.418 -0.602 1.00 0.00 C ATOM 1201 OG SER A 92 -6.773 -11.622 -1.992 1.00 0.00 O ATOM 0 H SER A 92 -4.401 -10.670 -1.531 1.00 0.00 H new ATOM 0 HA SER A 92 -6.765 -9.275 -0.545 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.885 -12.173 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.510 -11.535 -0.067 1.00 0.00 H new ATOM 0 HG SER A 92 -7.681 -11.959 -2.143 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.478 -9.297 1.900 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.281 -9.021 3.331 1.00 0.00 C ATOM 1209 C ASP A 93 -5.760 -10.236 4.082 1.00 0.00 C ATOM 1210 O ASP A 93 -4.975 -10.120 5.022 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.623 -8.585 3.938 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.598 -8.475 5.452 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.158 -7.433 5.969 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.049 -9.430 6.129 1.00 0.00 O ATOM 0 H ASP A 93 -7.393 -9.002 1.559 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.535 -8.232 3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.907 -7.621 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.393 -9.299 3.647 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.197 -11.395 3.637 1.00 0.00 N ATOM 1220 CA GLU A 94 -5.894 -12.646 4.302 1.00 0.00 C ATOM 1221 C GLU A 94 -4.454 -13.073 4.029 1.00 0.00 C ATOM 1222 O GLU A 94 -3.806 -13.682 4.879 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.876 -13.713 3.813 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.287 -13.168 3.617 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.279 -14.226 3.191 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -9.423 -14.457 1.973 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -9.930 -14.820 4.074 1.00 0.00 O ATOM 0 H GLU A 94 -6.774 -11.497 2.802 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.998 -12.518 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.517 -14.127 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.904 -14.532 4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.627 -12.714 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.264 -12.378 2.867 1.00 0.00 H new ATOM 1234 N ASP A 95 -3.959 -12.737 2.845 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.616 -13.136 2.427 1.00 0.00 C ATOM 1236 C ASP A 95 -1.576 -12.089 2.787 1.00 0.00 C ATOM 1237 O ASP A 95 -0.385 -12.394 2.867 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.573 -13.390 0.923 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.390 -14.594 0.522 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -2.839 -15.714 0.508 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -4.586 -14.426 0.219 1.00 0.00 O ATOM 0 H ASP A 95 -4.468 -12.187 2.153 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.378 -14.056 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.944 -12.510 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.539 -13.535 0.611 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.022 -10.853 2.994 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.106 -9.758 3.300 1.00 0.00 C ATOM 1248 C VAL A 96 -0.277 -10.094 4.537 1.00 0.00 C ATOM 1249 O VAL A 96 0.890 -9.725 4.638 1.00 0.00 O ATOM 1250 CB VAL A 96 -1.861 -8.418 3.538 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -1.902 -8.050 5.018 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.242 -7.283 2.735 1.00 0.00 C ATOM 0 H VAL A 96 -3.006 -10.585 2.956 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.453 -9.633 2.436 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.885 -8.567 3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.437 -7.109 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.413 -8.836 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.885 -7.942 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.793 -6.361 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.202 -7.152 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.288 -7.522 1.672 1.00 0.00 H new ATOM 1262 N VAL A 97 -0.890 -10.826 5.458 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.283 -11.105 6.745 1.00 0.00 C ATOM 1264 C VAL A 97 0.924 -12.016 6.588 1.00 0.00 C ATOM 1265 O VAL A 97 1.912 -11.879 7.303 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.305 -11.726 7.726 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.561 -10.877 7.765 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.653 -13.156 7.344 1.00 0.00 C ATOM 0 H VAL A 97 -1.814 -11.238 5.332 1.00 0.00 H new ATOM 0 HA VAL A 97 0.052 -10.156 7.164 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.849 -11.750 8.716 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.278 -11.319 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.309 -9.870 8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.000 -10.831 6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.373 -13.558 8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.085 -13.170 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.750 -13.766 7.358 1.00 0.00 H new ATOM 1278 N ASP A 98 0.857 -12.919 5.619 1.00 0.00 N ATOM 1279 CA ASP A 98 1.956 -13.816 5.354 1.00 0.00 C ATOM 1280 C ASP A 98 3.030 -13.064 4.595 1.00 0.00 C ATOM 1281 O ASP A 98 4.216 -13.319 4.755 1.00 0.00 O ATOM 1282 CB ASP A 98 1.502 -15.028 4.537 1.00 0.00 C ATOM 1283 CG ASP A 98 0.326 -15.761 5.143 1.00 0.00 C ATOM 1284 OD1 ASP A 98 0.544 -16.653 5.992 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.821 -15.467 4.758 1.00 0.00 O ATOM 0 H ASP A 98 0.050 -13.044 5.008 1.00 0.00 H new ATOM 0 HA ASP A 98 2.346 -14.180 6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.236 -14.699 3.532 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.338 -15.720 4.435 1.00 0.00 H new ATOM 1290 N LEU A 99 2.604 -12.116 3.778 1.00 0.00 N ATOM 1291 CA LEU A 99 3.530 -11.318 2.990 1.00 0.00 C ATOM 1292 C LEU A 99 4.335 -10.388 3.884 1.00 0.00 C ATOM 1293 O LEU A 99 5.562 -10.357 3.819 1.00 0.00 O ATOM 1294 CB LEU A 99 2.770 -10.511 1.931 1.00 0.00 C ATOM 1295 CG LEU A 99 2.227 -11.327 0.757 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.436 -10.440 -0.185 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.363 -12.007 0.007 1.00 0.00 C ATOM 0 H LEU A 99 1.621 -11.879 3.642 1.00 0.00 H new ATOM 0 HA LEU A 99 4.221 -11.994 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.937 -10.001 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.433 -9.739 1.540 1.00 0.00 H new ATOM 0 HG LEU A 99 1.563 -12.095 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.057 -11.037 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.600 -9.993 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.082 -9.652 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.957 -12.583 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.050 -11.252 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.897 -12.674 0.683 1.00 0.00 H new ATOM 1309 N ILE A 100 3.637 -9.660 4.743 1.00 0.00 N ATOM 1310 CA ILE A 100 4.272 -8.667 5.599 1.00 0.00 C ATOM 1311 C ILE A 100 5.092 -9.326 6.715 1.00 0.00 C ATOM 1312 O ILE A 100 6.108 -8.781 7.154 1.00 0.00 O ATOM 1313 CB ILE A 100 3.219 -7.706 6.205 1.00 0.00 C ATOM 1314 CG1 ILE A 100 2.357 -7.108 5.087 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.892 -6.604 7.016 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.357 -6.080 5.563 1.00 0.00 C ATOM 0 H ILE A 100 2.628 -9.738 4.866 1.00 0.00 H new ATOM 0 HA ILE A 100 4.955 -8.090 4.975 1.00 0.00 H new ATOM 0 HB ILE A 100 2.577 -8.271 6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.010 -6.648 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.822 -7.914 4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.132 -5.942 7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.468 -7.049 7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.558 -6.032 6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.787 -5.706 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.678 -6.539 6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.884 -5.253 6.039 1.00 0.00 H new ATOM 1328 N SER A 101 4.669 -10.507 7.158 1.00 0.00 N ATOM 1329 CA SER A 101 5.359 -11.200 8.245 1.00 0.00 C ATOM 1330 C SER A 101 6.524 -12.047 7.726 1.00 0.00 C ATOM 1331 O SER A 101 7.270 -12.636 8.511 1.00 0.00 O ATOM 1332 CB SER A 101 4.381 -12.083 9.033 1.00 0.00 C ATOM 1333 OG SER A 101 5.027 -12.737 10.115 1.00 0.00 O ATOM 0 H SER A 101 3.859 -11.002 6.785 1.00 0.00 H new ATOM 0 HA SER A 101 5.765 -10.437 8.909 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.562 -11.472 9.412 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.942 -12.826 8.367 1.00 0.00 H new ATOM 0 HG SER A 101 5.989 -12.794 9.936 1.00 0.00 H new ATOM 1339 N GLY A 102 6.676 -12.113 6.408 1.00 0.00 N ATOM 1340 CA GLY A 102 7.757 -12.887 5.825 1.00 0.00 C ATOM 1341 C GLY A 102 7.474 -14.374 5.844 1.00 0.00 C ATOM 1342 O GLY A 102 8.341 -15.181 6.175 1.00 0.00 O ATOM 0 H GLY A 102 6.071 -11.645 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.919 -12.563 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.679 -12.688 6.371 1.00 0.00 H new ATOM 1346 N LYS A 103 6.251 -14.730 5.494 1.00 0.00 N ATOM 1347 CA LYS A 103 5.817 -16.119 5.472 1.00 0.00 C ATOM 1348 C LYS A 103 5.466 -16.555 4.059 1.00 0.00 C ATOM 1349 O LYS A 103 5.837 -17.644 3.620 1.00 0.00 O ATOM 1350 CB LYS A 103 4.584 -16.277 6.361 1.00 0.00 C ATOM 1351 CG LYS A 103 4.884 -16.204 7.848 1.00 0.00 C ATOM 1352 CD LYS A 103 3.610 -16.174 8.674 1.00 0.00 C ATOM 1353 CE LYS A 103 3.917 -16.113 10.159 1.00 0.00 C ATOM 1354 NZ LYS A 103 2.682 -16.065 10.986 1.00 0.00 N ATOM 0 H LYS A 103 5.529 -14.065 5.217 1.00 0.00 H new ATOM 0 HA LYS A 103 6.633 -16.741 5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.863 -15.500 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.111 -17.234 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.488 -17.063 8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.475 -15.312 8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.009 -15.310 8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.014 -17.061 8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.508 -16.984 10.442 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.526 -15.233 10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.940 -16.024 11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.129 -15.220 10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.112 -16.917 10.809 1.00 0.00 H new ATOM 1368 N LEU A 104 4.764 -15.692 3.346 1.00 0.00 N ATOM 1369 CA LEU A 104 4.342 -15.985 1.989 1.00 0.00 C ATOM 1370 C LEU A 104 5.293 -15.353 0.988 1.00 0.00 C ATOM 1371 O LEU A 104 5.632 -14.175 1.095 1.00 0.00 O ATOM 1372 CB LEU A 104 2.910 -15.483 1.787 1.00 0.00 C ATOM 1373 CG LEU A 104 2.364 -15.499 0.355 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.418 -16.896 -0.240 1.00 0.00 C ATOM 1375 CD2 LEU A 104 0.937 -14.971 0.328 1.00 0.00 C ATOM 0 H LEU A 104 4.473 -14.776 3.688 1.00 0.00 H new ATOM 0 HA LEU A 104 4.363 -17.062 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.248 -16.086 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.853 -14.460 2.160 1.00 0.00 H new ATOM 0 HG LEU A 104 2.995 -14.849 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.024 -16.874 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.451 -17.244 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.818 -17.574 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.562 -14.988 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.305 -15.598 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.920 -13.948 0.703 1.00 0.00 H new ATOM 1387 N ASN A 105 5.750 -16.161 0.045 1.00 0.00 N ATOM 1388 CA ASN A 105 6.613 -15.687 -1.024 1.00 0.00 C ATOM 1389 C ASN A 105 5.806 -14.871 -2.023 1.00 0.00 C ATOM 1390 O ASN A 105 4.872 -15.387 -2.636 1.00 0.00 O ATOM 1391 CB ASN A 105 7.270 -16.873 -1.747 1.00 0.00 C ATOM 1392 CG ASN A 105 8.308 -17.600 -0.908 1.00 0.00 C ATOM 1393 OD1 ASN A 105 8.965 -16.891 -0.001 1.00 0.00 O flip ATOM 1394 ND2 ASN A 105 8.520 -18.800 -1.080 1.00 0.00 N flip ATOM 0 H ASN A 105 5.535 -17.157 -0.001 1.00 0.00 H new ATOM 0 HA ASN A 105 7.390 -15.060 -0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.496 -17.580 -2.044 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.742 -16.514 -2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.995 -19.314 -1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.220 -19.280 -0.515 1.00 0.00 H new ATOM 1401 N PRO A 106 6.155 -13.587 -2.217 1.00 0.00 N ATOM 1402 CA PRO A 106 5.485 -12.746 -3.201 1.00 0.00 C ATOM 1403 C PRO A 106 5.766 -13.255 -4.604 1.00 0.00 C ATOM 1404 O PRO A 106 5.037 -12.962 -5.545 1.00 0.00 O ATOM 1405 CB PRO A 106 6.065 -11.343 -3.001 1.00 0.00 C ATOM 1406 CG PRO A 106 6.992 -11.424 -1.830 1.00 0.00 C ATOM 1407 CD PRO A 106 7.231 -12.876 -1.516 1.00 0.00 C ATOM 0 HA PRO A 106 4.402 -12.750 -3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.597 -11.013 -3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.271 -10.619 -2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.934 -10.924 -2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.560 -10.915 -0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.212 -13.200 -1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.195 -13.061 -0.442 1.00 0.00 H new ATOM 1415 N GLN A 107 6.835 -14.031 -4.715 1.00 0.00 N ATOM 1416 CA GLN A 107 7.176 -14.725 -5.942 1.00 0.00 C ATOM 1417 C GLN A 107 6.067 -15.691 -6.335 1.00 0.00 C ATOM 1418 O GLN A 107 5.502 -15.604 -7.427 1.00 0.00 O ATOM 1419 CB GLN A 107 8.462 -15.504 -5.730 1.00 0.00 C ATOM 1420 CG GLN A 107 9.238 -15.751 -6.994 1.00 0.00 C ATOM 1421 CD GLN A 107 10.510 -16.537 -6.755 1.00 0.00 C ATOM 1422 OE1 GLN A 107 11.573 -15.966 -6.514 1.00 0.00 O ATOM 1423 NE2 GLN A 107 10.409 -17.855 -6.813 1.00 0.00 N ATOM 0 H GLN A 107 7.491 -14.195 -3.951 1.00 0.00 H new ATOM 0 HA GLN A 107 7.304 -13.992 -6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.094 -14.960 -5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.223 -16.462 -5.268 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.609 -16.292 -7.702 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.488 -14.795 -7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.509 -18.289 -7.016 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.232 -18.437 -6.655 1.00 0.00 H new ATOM 1432 N LYS A 108 5.755 -16.609 -5.428 1.00 0.00 N ATOM 1433 CA LYS A 108 4.733 -17.603 -5.691 1.00 0.00 C ATOM 1434 C LYS A 108 3.366 -16.946 -5.708 1.00 0.00 C ATOM 1435 O LYS A 108 2.478 -17.370 -6.438 1.00 0.00 O ATOM 1436 CB LYS A 108 4.771 -18.737 -4.656 1.00 0.00 C ATOM 1437 CG LYS A 108 4.172 -18.389 -3.301 1.00 0.00 C ATOM 1438 CD LYS A 108 3.071 -19.358 -2.898 1.00 0.00 C ATOM 1439 CE LYS A 108 1.749 -19.028 -3.575 1.00 0.00 C ATOM 1440 NZ LYS A 108 0.669 -19.968 -3.177 1.00 0.00 N ATOM 0 H LYS A 108 6.195 -16.682 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 108 4.932 -18.043 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.239 -19.597 -5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 108 5.807 -19.042 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 108 4.957 -18.398 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 108 3.770 -17.376 -3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.368 -20.374 -3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.942 -19.331 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.455 -18.010 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.878 -19.061 -4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.251 -19.487 -3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.675 -20.792 -3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.826 -20.283 -2.198 1.00 0.00 H new ATOM 1454 N ALA A 109 3.205 -15.893 -4.915 1.00 0.00 N ATOM 1455 CA ALA A 109 1.937 -15.179 -4.879 1.00 0.00 C ATOM 1456 C ALA A 109 1.707 -14.461 -6.200 1.00 0.00 C ATOM 1457 O ALA A 109 0.578 -14.367 -6.678 1.00 0.00 O ATOM 1458 CB ALA A 109 1.894 -14.201 -3.720 1.00 0.00 C ATOM 0 H ALA A 109 3.926 -15.520 -4.297 1.00 0.00 H new ATOM 0 HA ALA A 109 1.137 -15.904 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.936 -13.682 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.016 -14.743 -2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.700 -13.475 -3.827 1.00 0.00 H new ATOM 1464 N PHE A 110 2.788 -13.964 -6.789 1.00 0.00 N ATOM 1465 CA PHE A 110 2.730 -13.350 -8.106 1.00 0.00 C ATOM 1466 C PHE A 110 2.344 -14.406 -9.139 1.00 0.00 C ATOM 1467 O PHE A 110 1.474 -14.185 -9.982 1.00 0.00 O ATOM 1468 CB PHE A 110 4.091 -12.732 -8.470 1.00 0.00 C ATOM 1469 CG PHE A 110 4.109 -11.956 -9.765 1.00 0.00 C ATOM 1470 CD1 PHE A 110 4.152 -12.610 -10.986 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.099 -10.570 -9.756 1.00 0.00 C ATOM 1472 CE1 PHE A 110 4.184 -11.899 -12.170 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.128 -9.853 -10.939 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.170 -10.520 -12.147 1.00 0.00 C ATOM 0 H PHE A 110 3.719 -13.975 -6.371 1.00 0.00 H new ATOM 0 HA PHE A 110 1.982 -12.557 -8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.401 -12.070 -7.662 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.832 -13.529 -8.530 1.00 0.00 H new ATOM 0 HD1 PHE A 110 4.161 -13.690 -11.012 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.068 -10.043 -8.814 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.220 -12.423 -13.114 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.118 -8.773 -10.917 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.192 -9.963 -13.072 1.00 0.00 H new ATOM 1484 N PHE A 111 2.996 -15.561 -9.041 1.00 0.00 N ATOM 1485 CA PHE A 111 2.778 -16.674 -9.962 1.00 0.00 C ATOM 1486 C PHE A 111 1.350 -17.209 -9.860 1.00 0.00 C ATOM 1487 O PHE A 111 0.718 -17.517 -10.871 1.00 0.00 O ATOM 1488 CB PHE A 111 3.787 -17.790 -9.662 1.00 0.00 C ATOM 1489 CG PHE A 111 3.609 -19.026 -10.499 1.00 0.00 C ATOM 1490 CD1 PHE A 111 4.074 -19.072 -11.801 1.00 0.00 C ATOM 1491 CD2 PHE A 111 2.974 -20.142 -9.977 1.00 0.00 C ATOM 1492 CE1 PHE A 111 3.911 -20.209 -12.569 1.00 0.00 C ATOM 1493 CE2 PHE A 111 2.807 -21.281 -10.739 1.00 0.00 C ATOM 1494 CZ PHE A 111 3.276 -21.314 -12.037 1.00 0.00 C ATOM 0 H PHE A 111 3.692 -15.753 -8.320 1.00 0.00 H new ATOM 0 HA PHE A 111 2.923 -16.314 -10.980 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.795 -17.404 -9.815 1.00 0.00 H new ATOM 0 HB3 PHE A 111 3.707 -18.063 -8.610 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.570 -18.210 -12.222 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.605 -20.120 -8.962 1.00 0.00 H new ATOM 0 HE1 PHE A 111 4.280 -20.234 -13.584 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.311 -22.144 -10.321 1.00 0.00 H new ATOM 0 HZ PHE A 111 3.146 -22.203 -12.636 1.00 0.00 H new ATOM 1504 N GLN A 112 0.849 -17.304 -8.636 1.00 0.00 N ATOM 1505 CA GLN A 112 -0.484 -17.830 -8.384 1.00 0.00 C ATOM 1506 C GLN A 112 -1.568 -16.784 -8.641 1.00 0.00 C ATOM 1507 O GLN A 112 -2.741 -17.010 -8.348 1.00 0.00 O ATOM 1508 CB GLN A 112 -0.560 -18.348 -6.948 1.00 0.00 C ATOM 1509 CG GLN A 112 0.285 -19.590 -6.716 1.00 0.00 C ATOM 1510 CD GLN A 112 -0.175 -20.783 -7.535 1.00 0.00 C ATOM 1511 OE1 GLN A 112 -1.475 -20.880 -7.777 1.00 0.00 O flip ATOM 1512 NE2 GLN A 112 0.631 -21.623 -7.933 1.00 0.00 N flip ATOM 0 H GLN A 112 1.352 -17.020 -7.795 1.00 0.00 H new ATOM 0 HA GLN A 112 -0.666 -18.650 -9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -0.234 -17.562 -6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -1.598 -18.572 -6.703 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.323 -19.367 -6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.256 -19.850 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.624 -21.515 -7.727 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.306 -22.428 -8.469 1.00 0.00 H new ATOM 1521 N GLY A 113 -1.169 -15.637 -9.180 1.00 0.00 N ATOM 1522 CA GLY A 113 -2.132 -14.634 -9.599 1.00 0.00 C ATOM 1523 C GLY A 113 -2.661 -13.787 -8.459 1.00 0.00 C ATOM 1524 O GLY A 113 -3.551 -12.961 -8.655 1.00 0.00 O ATOM 0 H GLY A 113 -0.193 -15.383 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.667 -13.983 -10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.969 -15.129 -10.091 1.00 0.00 H new ATOM 1528 N LYS A 114 -2.114 -13.984 -7.272 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.547 -13.238 -6.101 1.00 0.00 C ATOM 1530 C LYS A 114 -1.945 -11.846 -6.088 1.00 0.00 C ATOM 1531 O LYS A 114 -2.646 -10.857 -5.894 1.00 0.00 O ATOM 1532 CB LYS A 114 -2.164 -13.978 -4.822 1.00 0.00 C ATOM 1533 CG LYS A 114 -3.172 -15.035 -4.417 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.573 -14.878 -2.970 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.496 -13.689 -2.804 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.870 -13.977 -3.296 1.00 0.00 N ATOM 0 H LYS A 114 -1.368 -14.656 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.632 -13.146 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.190 -14.448 -4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.058 -13.257 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.055 -14.962 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.747 -16.026 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.071 -15.784 -2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.685 -14.746 -2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.539 -13.408 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.089 -12.835 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.522 -13.242 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.871 -13.986 -4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.179 -14.905 -2.941 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.643 -11.784 -6.298 1.00 0.00 N ATOM 1551 CA ILE A 115 0.072 -10.523 -6.298 1.00 0.00 C ATOM 1552 C ILE A 115 0.055 -9.897 -7.692 1.00 0.00 C ATOM 1553 O ILE A 115 0.513 -10.494 -8.672 1.00 0.00 O ATOM 1554 CB ILE A 115 1.521 -10.715 -5.765 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.647 -10.158 -4.360 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.548 -10.034 -6.636 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.795 -10.742 -3.589 1.00 0.00 C ATOM 0 H ILE A 115 -0.056 -12.600 -6.472 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.434 -9.832 -5.624 1.00 0.00 H new ATOM 0 HB ILE A 115 1.712 -11.788 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.769 -9.076 -4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.721 -10.347 -3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.543 -10.198 -6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.502 -10.447 -7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.342 -8.964 -6.673 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.827 -10.300 -2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.664 -11.821 -3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.729 -10.530 -4.110 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.543 -8.719 -7.782 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.543 -7.952 -9.016 1.00 0.00 C ATOM 1571 C LYS A 116 0.239 -6.666 -8.818 1.00 0.00 C ATOM 1572 O LYS A 116 -0.277 -5.696 -8.263 1.00 0.00 O ATOM 1573 CB LYS A 116 -1.973 -7.622 -9.455 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.826 -8.844 -9.747 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.344 -9.558 -10.995 1.00 0.00 C ATOM 1576 CE LYS A 116 -3.173 -10.797 -11.291 1.00 0.00 C ATOM 1577 NZ LYS A 116 -2.697 -11.497 -12.511 1.00 0.00 N ATOM 0 H LYS A 116 -1.037 -8.272 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.073 -8.553 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.455 -7.033 -8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.933 -6.997 -10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.793 -9.526 -8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.866 -8.544 -9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.392 -8.877 -11.845 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.299 -9.841 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.128 -11.477 -10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.218 -10.514 -11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.286 -12.337 -12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.764 -10.856 -13.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.707 -11.789 -12.380 1.00 0.00 H new ATOM 1591 N ILE A 117 1.488 -6.672 -9.253 1.00 0.00 N ATOM 1592 CA ILE A 117 2.338 -5.504 -9.152 1.00 0.00 C ATOM 1593 C ILE A 117 2.691 -4.983 -10.541 1.00 0.00 C ATOM 1594 O ILE A 117 3.081 -5.743 -11.429 1.00 0.00 O ATOM 1595 CB ILE A 117 3.607 -5.806 -8.305 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.844 -5.057 -8.803 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.884 -7.297 -8.242 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.847 -3.577 -8.481 1.00 0.00 C ATOM 0 H ILE A 117 1.936 -7.481 -9.682 1.00 0.00 H new ATOM 0 HA ILE A 117 1.789 -4.719 -8.632 1.00 0.00 H new ATOM 0 HB ILE A 117 3.394 -5.444 -7.299 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.732 -5.514 -8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.920 -5.182 -9.883 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.777 -7.476 -7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 117 3.034 -7.806 -7.787 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.040 -7.681 -9.250 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.758 -3.122 -8.869 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.980 -3.103 -8.941 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.805 -3.440 -7.401 1.00 0.00 H new ATOM 1610 N GLN A 118 2.519 -3.680 -10.712 1.00 0.00 N ATOM 1611 CA GLN A 118 2.746 -3.005 -11.980 1.00 0.00 C ATOM 1612 C GLN A 118 3.315 -1.631 -11.688 1.00 0.00 C ATOM 1613 O GLN A 118 2.568 -0.676 -11.468 1.00 0.00 O ATOM 1614 CB GLN A 118 1.435 -2.870 -12.766 1.00 0.00 C ATOM 1615 CG GLN A 118 0.814 -4.194 -13.185 1.00 0.00 C ATOM 1616 CD GLN A 118 1.388 -4.754 -14.476 1.00 0.00 C ATOM 1617 OE1 GLN A 118 2.641 -4.446 -14.773 1.00 0.00 O flip ATOM 1618 NE2 GLN A 118 0.697 -5.460 -15.210 1.00 0.00 N flip ATOM 0 H GLN A 118 2.214 -3.056 -9.965 1.00 0.00 H new ATOM 0 HA GLN A 118 3.442 -3.586 -12.585 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.716 -2.322 -12.158 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.620 -2.271 -13.658 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.959 -4.922 -12.387 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.261 -4.060 -13.303 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.265 -5.678 -14.950 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.086 -5.828 -16.078 1.00 0.00 H new ATOM 1627 N GLY A 119 4.629 -1.537 -11.652 1.00 0.00 N ATOM 1628 CA GLY A 119 5.250 -0.332 -11.169 1.00 0.00 C ATOM 1629 C GLY A 119 6.688 -0.176 -11.597 1.00 0.00 C ATOM 1630 O GLY A 119 7.275 -1.089 -12.180 1.00 0.00 O ATOM 0 H GLY A 119 5.274 -2.270 -11.947 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.680 0.527 -11.523 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.201 -0.320 -10.080 1.00 0.00 H new ATOM 1634 N ASN A 120 7.230 0.999 -11.300 1.00 0.00 N ATOM 1635 CA ASN A 120 8.606 1.365 -11.627 1.00 0.00 C ATOM 1636 C ASN A 120 9.579 0.265 -11.207 1.00 0.00 C ATOM 1637 O ASN A 120 9.762 -0.007 -10.016 1.00 0.00 O ATOM 1638 CB ASN A 120 8.946 2.685 -10.917 1.00 0.00 C ATOM 1639 CG ASN A 120 10.317 3.241 -11.264 1.00 0.00 C ATOM 1640 OD1 ASN A 120 11.255 2.504 -11.553 1.00 0.00 O ATOM 1641 ND2 ASN A 120 10.439 4.558 -11.232 1.00 0.00 N ATOM 0 H ASN A 120 6.719 1.738 -10.817 1.00 0.00 H new ATOM 0 HA ASN A 120 8.700 1.491 -12.706 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.190 3.427 -11.172 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.891 2.530 -9.839 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.335 4.993 -11.452 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.637 5.139 -10.987 1.00 0.00 H new ATOM 1648 N MET A 121 10.195 -0.359 -12.207 1.00 0.00 N ATOM 1649 CA MET A 121 11.125 -1.462 -11.988 1.00 0.00 C ATOM 1650 C MET A 121 12.310 -1.036 -11.133 1.00 0.00 C ATOM 1651 O MET A 121 12.813 -1.822 -10.338 1.00 0.00 O ATOM 1652 CB MET A 121 11.627 -2.013 -13.327 1.00 0.00 C ATOM 1653 CG MET A 121 12.302 -0.972 -14.209 1.00 0.00 C ATOM 1654 SD MET A 121 12.825 -1.628 -15.805 1.00 0.00 S ATOM 1655 CE MET A 121 14.043 -2.840 -15.299 1.00 0.00 C ATOM 0 H MET A 121 10.064 -0.115 -13.189 1.00 0.00 H new ATOM 0 HA MET A 121 10.584 -2.243 -11.454 1.00 0.00 H new ATOM 0 HB2 MET A 121 12.331 -2.823 -13.134 1.00 0.00 H new ATOM 0 HB3 MET A 121 10.786 -2.444 -13.870 1.00 0.00 H new ATOM 0 HG2 MET A 121 11.615 -0.142 -14.372 1.00 0.00 H new ATOM 0 HG3 MET A 121 13.170 -0.569 -13.686 1.00 0.00 H new ATOM 0 HE1 MET A 121 14.675 -3.097 -16.149 1.00 0.00 H new ATOM 0 HE2 MET A 121 14.659 -2.426 -14.501 1.00 0.00 H new ATOM 0 HE3 MET A 121 13.537 -3.736 -14.939 1.00 0.00 H new ATOM 1665 N GLY A 122 12.727 0.216 -11.270 1.00 0.00 N ATOM 1666 CA GLY A 122 13.897 0.687 -10.557 1.00 0.00 C ATOM 1667 C GLY A 122 13.627 0.815 -9.079 1.00 0.00 C ATOM 1668 O GLY A 122 14.543 0.759 -8.258 1.00 0.00 O ATOM 0 H GLY A 122 12.276 0.913 -11.862 1.00 0.00 H new ATOM 0 HA2 GLY A 122 14.725 -0.003 -10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.204 1.653 -10.957 1.00 0.00 H new ATOM 1672 N LEU A 123 12.358 0.964 -8.743 1.00 0.00 N ATOM 1673 CA LEU A 123 11.948 1.101 -7.363 1.00 0.00 C ATOM 1674 C LEU A 123 11.701 -0.264 -6.744 1.00 0.00 C ATOM 1675 O LEU A 123 12.166 -0.553 -5.646 1.00 0.00 O ATOM 1676 CB LEU A 123 10.675 1.931 -7.272 1.00 0.00 C ATOM 1677 CG LEU A 123 10.414 2.543 -5.899 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.879 3.987 -5.871 1.00 0.00 C ATOM 1679 CD2 LEU A 123 8.946 2.425 -5.534 1.00 0.00 C ATOM 0 H LEU A 123 11.591 0.993 -9.415 1.00 0.00 H new ATOM 0 HA LEU A 123 12.748 1.602 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.726 2.732 -8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.827 1.302 -7.543 1.00 0.00 H new ATOM 0 HG LEU A 123 10.985 1.992 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.687 4.412 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.947 4.029 -6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.337 4.558 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.779 2.867 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.343 2.950 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 123 8.660 1.373 -5.512 1.00 0.00 H new ATOM 1691 N ALA A 124 10.972 -1.113 -7.460 1.00 0.00 N ATOM 1692 CA ALA A 124 10.631 -2.430 -6.943 1.00 0.00 C ATOM 1693 C ALA A 124 11.855 -3.337 -6.897 1.00 0.00 C ATOM 1694 O ALA A 124 11.896 -4.298 -6.130 1.00 0.00 O ATOM 1695 CB ALA A 124 9.517 -3.065 -7.754 1.00 0.00 C ATOM 0 H ALA A 124 10.609 -0.914 -8.392 1.00 0.00 H new ATOM 0 HA ALA A 124 10.271 -2.301 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.284 -4.048 -7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.630 -2.434 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.836 -3.170 -8.791 1.00 0.00 H new ATOM 1701 N MET A 125 12.860 -3.032 -7.713 1.00 0.00 N ATOM 1702 CA MET A 125 14.127 -3.749 -7.634 1.00 0.00 C ATOM 1703 C MET A 125 14.808 -3.459 -6.308 1.00 0.00 C ATOM 1704 O MET A 125 15.540 -4.289 -5.784 1.00 0.00 O ATOM 1705 CB MET A 125 15.058 -3.383 -8.789 1.00 0.00 C ATOM 1706 CG MET A 125 14.741 -4.121 -10.077 1.00 0.00 C ATOM 1707 SD MET A 125 15.892 -3.726 -11.406 1.00 0.00 S ATOM 1708 CE MET A 125 15.315 -4.854 -12.673 1.00 0.00 C ATOM 0 H MET A 125 12.823 -2.304 -8.426 1.00 0.00 H new ATOM 0 HA MET A 125 13.909 -4.814 -7.707 1.00 0.00 H new ATOM 0 HB2 MET A 125 14.996 -2.310 -8.969 1.00 0.00 H new ATOM 0 HB3 MET A 125 16.086 -3.599 -8.499 1.00 0.00 H new ATOM 0 HG2 MET A 125 14.762 -5.195 -9.890 1.00 0.00 H new ATOM 0 HG3 MET A 125 13.728 -3.873 -10.393 1.00 0.00 H new ATOM 0 HE1 MET A 125 15.925 -4.737 -13.569 1.00 0.00 H new ATOM 0 HE2 MET A 125 15.394 -5.879 -12.311 1.00 0.00 H new ATOM 0 HE3 MET A 125 14.274 -4.633 -12.911 1.00 0.00 H new ATOM 1718 N LYS A 126 14.550 -2.279 -5.759 1.00 0.00 N ATOM 1719 CA LYS A 126 15.074 -1.923 -4.456 1.00 0.00 C ATOM 1720 C LYS A 126 14.468 -2.785 -3.358 1.00 0.00 C ATOM 1721 O LYS A 126 15.092 -3.017 -2.325 1.00 0.00 O ATOM 1722 CB LYS A 126 14.854 -0.451 -4.173 1.00 0.00 C ATOM 1723 CG LYS A 126 15.982 0.383 -4.697 1.00 0.00 C ATOM 1724 CD LYS A 126 16.996 0.599 -3.607 1.00 0.00 C ATOM 1725 CE LYS A 126 18.295 1.181 -4.136 1.00 0.00 C ATOM 1726 NZ LYS A 126 19.062 0.184 -4.929 1.00 0.00 N ATOM 0 H LYS A 126 13.981 -1.556 -6.199 1.00 0.00 H new ATOM 0 HA LYS A 126 16.147 -2.112 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 126 13.918 -0.128 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 126 14.755 -0.297 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 126 16.448 -0.111 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 126 15.605 1.342 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 126 16.580 1.269 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.201 -0.350 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 126 18.078 2.050 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 126 18.904 1.529 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 19.831 0.664 -5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 19.464 -0.532 -4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 18.428 -0.278 -5.612 1.00 0.00 H new ATOM 1740 N LEU A 127 13.262 -3.282 -3.600 1.00 0.00 N ATOM 1741 CA LEU A 127 12.595 -4.166 -2.653 1.00 0.00 C ATOM 1742 C LEU A 127 13.402 -5.446 -2.456 1.00 0.00 C ATOM 1743 O LEU A 127 13.507 -5.963 -1.344 1.00 0.00 O ATOM 1744 CB LEU A 127 11.177 -4.494 -3.133 1.00 0.00 C ATOM 1745 CG LEU A 127 10.222 -3.302 -3.211 1.00 0.00 C ATOM 1746 CD1 LEU A 127 8.862 -3.744 -3.722 1.00 0.00 C ATOM 1747 CD2 LEU A 127 10.089 -2.627 -1.852 1.00 0.00 C ATOM 0 H LEU A 127 12.725 -3.088 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 127 12.524 -3.653 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 127 11.242 -4.952 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 127 10.748 -5.239 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 127 10.636 -2.577 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.195 -2.884 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.970 -4.177 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.444 -4.489 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.405 -1.782 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.700 -3.342 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.067 -2.273 -1.524 1.00 0.00 H new ATOM 1759 N THR A 128 13.987 -5.950 -3.537 1.00 0.00 N ATOM 1760 CA THR A 128 14.825 -7.134 -3.452 1.00 0.00 C ATOM 1761 C THR A 128 16.283 -6.739 -3.197 1.00 0.00 C ATOM 1762 O THR A 128 17.057 -7.505 -2.632 1.00 0.00 O ATOM 1763 CB THR A 128 14.713 -8.008 -4.725 1.00 0.00 C ATOM 1764 OG1 THR A 128 15.343 -9.281 -4.515 1.00 0.00 O ATOM 1765 CG2 THR A 128 15.337 -7.329 -5.936 1.00 0.00 C ATOM 0 H THR A 128 13.896 -5.559 -4.475 1.00 0.00 H new ATOM 0 HA THR A 128 14.469 -7.731 -2.612 1.00 0.00 H new ATOM 0 HB THR A 128 13.651 -8.151 -4.924 1.00 0.00 H new ATOM 0 HG1 THR A 128 15.055 -9.651 -3.654 1.00 0.00 H new ATOM 0 HG21 THR A 128 15.237 -7.976 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 128 14.828 -6.384 -6.125 1.00 0.00 H new ATOM 0 HG23 THR A 128 16.393 -7.141 -5.743 1.00 0.00 H new ATOM 1773 N ASP A 129 16.639 -5.531 -3.605 1.00 0.00 N ATOM 1774 CA ASP A 129 17.979 -4.995 -3.373 1.00 0.00 C ATOM 1775 C ASP A 129 18.277 -4.912 -1.882 1.00 0.00 C ATOM 1776 O ASP A 129 19.308 -5.396 -1.418 1.00 0.00 O ATOM 1777 CB ASP A 129 18.099 -3.606 -3.997 1.00 0.00 C ATOM 1778 CG ASP A 129 19.460 -2.971 -3.803 1.00 0.00 C ATOM 1779 OD1 ASP A 129 20.459 -3.510 -4.319 1.00 0.00 O ATOM 1780 OD2 ASP A 129 19.531 -1.899 -3.168 1.00 0.00 O ATOM 0 H ASP A 129 16.016 -4.896 -4.103 1.00 0.00 H new ATOM 0 HA ASP A 129 18.702 -5.667 -3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 129 17.889 -3.677 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 129 17.339 -2.956 -3.565 1.00 0.00 H new ATOM 1785 N LEU A 130 17.351 -4.318 -1.136 1.00 0.00 N ATOM 1786 CA LEU A 130 17.528 -4.114 0.297 1.00 0.00 C ATOM 1787 C LEU A 130 17.688 -5.433 1.051 1.00 0.00 C ATOM 1788 O LEU A 130 18.436 -5.497 2.022 1.00 0.00 O ATOM 1789 CB LEU A 130 16.363 -3.307 0.882 1.00 0.00 C ATOM 1790 CG LEU A 130 16.564 -1.783 0.927 1.00 0.00 C ATOM 1791 CD1 LEU A 130 17.730 -1.423 1.835 1.00 0.00 C ATOM 1792 CD2 LEU A 130 16.788 -1.214 -0.466 1.00 0.00 C ATOM 0 H LEU A 130 16.466 -3.968 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 130 18.450 -3.547 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 130 15.468 -3.520 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 130 16.173 -3.660 1.896 1.00 0.00 H new ATOM 0 HG LEU A 130 15.654 -1.341 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 130 17.856 -0.340 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 130 17.530 -1.782 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 130 18.641 -1.888 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 130 16.927 -0.135 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 130 17.676 -1.668 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 130 15.922 -1.431 -1.091 1.00 0.00 H new ATOM 1804 N GLN A 131 17.010 -6.488 0.609 1.00 0.00 N ATOM 1805 CA GLN A 131 17.134 -7.780 1.282 1.00 0.00 C ATOM 1806 C GLN A 131 18.475 -8.429 0.950 1.00 0.00 C ATOM 1807 O GLN A 131 19.014 -9.198 1.747 1.00 0.00 O ATOM 1808 CB GLN A 131 15.973 -8.717 0.929 1.00 0.00 C ATOM 1809 CG GLN A 131 15.956 -9.164 -0.523 1.00 0.00 C ATOM 1810 CD GLN A 131 14.738 -9.992 -0.884 1.00 0.00 C ATOM 1811 OE1 GLN A 131 14.276 -9.967 -2.026 1.00 0.00 O ATOM 1812 NE2 GLN A 131 14.217 -10.742 0.074 1.00 0.00 N ATOM 0 H GLN A 131 16.382 -6.478 -0.194 1.00 0.00 H new ATOM 0 HA GLN A 131 17.091 -7.599 2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 131 16.024 -9.598 1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 131 15.033 -8.214 1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 131 15.992 -8.285 -1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 131 16.855 -9.746 -0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.628 -10.735 1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 131 13.404 -11.327 -0.121 1.00 0.00 H new ATOM 1821 N ARG A 132 19.018 -8.114 -0.223 1.00 0.00 N ATOM 1822 CA ARG A 132 20.358 -8.565 -0.577 1.00 0.00 C ATOM 1823 C ARG A 132 21.374 -7.805 0.265 1.00 0.00 C ATOM 1824 O ARG A 132 22.352 -8.373 0.751 1.00 0.00 O ATOM 1825 CB ARG A 132 20.647 -8.345 -2.067 1.00 0.00 C ATOM 1826 CG ARG A 132 19.637 -8.981 -3.008 1.00 0.00 C ATOM 1827 CD ARG A 132 19.462 -10.469 -2.749 1.00 0.00 C ATOM 1828 NE ARG A 132 18.501 -11.067 -3.677 1.00 0.00 N ATOM 1829 CZ ARG A 132 17.638 -12.028 -3.352 1.00 0.00 C ATOM 1830 NH1 ARG A 132 17.603 -12.509 -2.117 1.00 0.00 N ATOM 1831 NH2 ARG A 132 16.805 -12.506 -4.268 1.00 0.00 N ATOM 0 H ARG A 132 18.555 -7.553 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 132 20.430 -9.635 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 132 20.681 -7.273 -2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 132 21.636 -8.742 -2.294 1.00 0.00 H new ATOM 0 HG2 ARG A 132 18.675 -8.480 -2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 132 19.959 -8.829 -4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 132 20.424 -10.972 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 132 19.124 -10.623 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 132 18.492 -10.725 -4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 132 18.240 -12.143 -1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 132 16.940 -13.245 -1.875 1.00 0.00 H new ATOM 0 HH21 ARG A 132 16.827 -12.137 -5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 132 16.143 -13.242 -4.021 1.00 0.00 H new ATOM 1845 N GLN A 133 21.115 -6.512 0.445 1.00 0.00 N ATOM 1846 CA GLN A 133 21.929 -5.672 1.313 1.00 0.00 C ATOM 1847 C GLN A 133 21.860 -6.184 2.747 1.00 0.00 C ATOM 1848 O GLN A 133 22.867 -6.222 3.457 1.00 0.00 O ATOM 1849 CB GLN A 133 21.441 -4.223 1.276 1.00 0.00 C ATOM 1850 CG GLN A 133 21.438 -3.591 -0.107 1.00 0.00 C ATOM 1851 CD GLN A 133 22.813 -3.548 -0.740 1.00 0.00 C ATOM 1852 OE1 GLN A 133 23.581 -2.612 -0.519 1.00 0.00 O ATOM 1853 NE2 GLN A 133 23.118 -4.537 -1.563 1.00 0.00 N ATOM 0 H GLN A 133 20.341 -6.022 -0.004 1.00 0.00 H new ATOM 0 HA GLN A 133 22.958 -5.711 0.956 1.00 0.00 H new ATOM 0 HB2 GLN A 133 20.430 -4.184 1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 133 22.071 -3.624 1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 133 20.763 -4.150 -0.755 1.00 0.00 H new ATOM 0 HG3 GLN A 133 21.045 -2.577 -0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 133 22.453 -5.294 -1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 133 24.018 -4.542 -2.042 1.00 0.00 H new ATOM 1862 N ALA A 134 20.654 -6.568 3.154 1.00 0.00 N ATOM 1863 CA ALA A 134 20.401 -7.112 4.483 1.00 0.00 C ATOM 1864 C ALA A 134 21.209 -8.378 4.719 1.00 0.00 C ATOM 1865 O ALA A 134 21.797 -8.560 5.785 1.00 0.00 O ATOM 1866 CB ALA A 134 18.915 -7.398 4.655 1.00 0.00 C ATOM 0 H ALA A 134 19.821 -6.510 2.568 1.00 0.00 H new ATOM 0 HA ALA A 134 20.711 -6.371 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 134 18.735 -7.804 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 134 18.350 -6.474 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 134 18.594 -8.121 3.905 1.00 0.00 H new ATOM 1872 N ALA A 135 21.236 -9.245 3.713 1.00 0.00 N ATOM 1873 CA ALA A 135 21.982 -10.494 3.790 1.00 0.00 C ATOM 1874 C ALA A 135 23.465 -10.227 4.018 1.00 0.00 C ATOM 1875 O ALA A 135 24.150 -10.993 4.696 1.00 0.00 O ATOM 1876 CB ALA A 135 21.781 -11.307 2.520 1.00 0.00 C ATOM 0 H ALA A 135 20.746 -9.104 2.830 1.00 0.00 H new ATOM 0 HA ALA A 135 21.604 -11.066 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 135 22.344 -12.238 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 135 20.722 -11.532 2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 135 22.133 -10.734 1.662 1.00 0.00 H new ATOM 1882 N GLY A 136 23.953 -9.139 3.439 1.00 0.00 N ATOM 1883 CA GLY A 136 25.337 -8.754 3.620 1.00 0.00 C ATOM 1884 C GLY A 136 26.205 -9.194 2.461 1.00 0.00 C ATOM 1885 O GLY A 136 27.186 -8.534 2.122 1.00 0.00 O ATOM 0 H GLY A 136 23.411 -8.513 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 136 25.401 -7.671 3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 136 25.717 -9.191 4.544 1.00 0.00 H new ATOM 1889 N ARG A 137 25.833 -10.302 1.843 1.00 0.00 N ATOM 1890 CA ARG A 137 26.567 -10.821 0.704 1.00 0.00 C ATOM 1891 C ARG A 137 25.772 -10.616 -0.576 1.00 0.00 C ATOM 1892 O ARG A 137 24.615 -11.030 -0.668 1.00 0.00 O ATOM 1893 CB ARG A 137 26.880 -12.307 0.890 1.00 0.00 C ATOM 1894 CG ARG A 137 27.598 -12.917 -0.299 1.00 0.00 C ATOM 1895 CD ARG A 137 27.970 -14.367 -0.058 1.00 0.00 C ATOM 1896 NE ARG A 137 28.600 -14.957 -1.236 1.00 0.00 N ATOM 1897 CZ ARG A 137 29.310 -16.080 -1.220 1.00 0.00 C ATOM 1898 NH1 ARG A 137 29.520 -16.724 -0.079 1.00 0.00 N ATOM 1899 NH2 ARG A 137 29.823 -16.553 -2.348 1.00 0.00 N ATOM 0 H ARG A 137 25.023 -10.861 2.113 1.00 0.00 H new ATOM 0 HA ARG A 137 27.507 -10.275 0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 137 27.494 -12.434 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 137 25.950 -12.849 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 137 26.961 -12.848 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 137 28.500 -12.342 -0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 137 28.649 -14.434 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 137 27.077 -14.935 0.202 1.00 0.00 H new ATOM 0 HE ARG A 137 28.488 -14.476 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 137 29.136 -16.357 0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 137 30.066 -17.586 -0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 137 29.672 -16.055 -3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 137 30.368 -17.415 -2.338 1.00 0.00 H new ATOM 1913 N ILE A 138 26.393 -9.972 -1.555 1.00 0.00 N ATOM 1914 CA ILE A 138 25.753 -9.729 -2.839 1.00 0.00 C ATOM 1915 C ILE A 138 26.726 -9.073 -3.816 1.00 0.00 C ATOM 1916 O ILE A 138 26.823 -9.473 -4.978 1.00 0.00 O ATOM 1917 CB ILE A 138 24.483 -8.843 -2.692 1.00 0.00 C ATOM 1918 CG1 ILE A 138 23.819 -8.618 -4.053 1.00 0.00 C ATOM 1919 CG2 ILE A 138 24.808 -7.507 -2.032 1.00 0.00 C ATOM 1920 CD1 ILE A 138 23.294 -9.884 -4.690 1.00 0.00 C ATOM 0 H ILE A 138 27.343 -9.608 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 138 25.449 -10.699 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 138 23.784 -9.375 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 138 22.996 -7.914 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 138 24.540 -8.155 -4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 138 23.898 -6.913 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 138 25.223 -7.683 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 138 25.536 -6.969 -2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 138 22.838 -9.646 -5.651 1.00 0.00 H new ATOM 0 HD12 ILE A 138 24.117 -10.583 -4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 138 22.549 -10.338 -4.037 1.00 0.00 H new ATOM 1932 N GLU A 139 27.471 -8.096 -3.327 1.00 0.00 N ATOM 1933 CA GLU A 139 28.340 -7.301 -4.171 1.00 0.00 C ATOM 1934 C GLU A 139 29.703 -7.968 -4.309 1.00 0.00 C ATOM 1935 O GLU A 139 30.155 -8.676 -3.409 1.00 0.00 O ATOM 1936 CB GLU A 139 28.470 -5.896 -3.582 1.00 0.00 C ATOM 1937 CG GLU A 139 29.185 -4.907 -4.489 1.00 0.00 C ATOM 1938 CD GLU A 139 28.521 -4.770 -5.844 1.00 0.00 C ATOM 1939 OE1 GLU A 139 28.758 -5.636 -6.714 1.00 0.00 O ATOM 1940 OE2 GLU A 139 27.768 -3.794 -6.050 1.00 0.00 O ATOM 0 H GLU A 139 27.489 -7.835 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 139 27.908 -7.224 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 139 27.474 -5.514 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 139 29.007 -5.959 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 139 29.215 -3.932 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 139 30.218 -5.227 -4.626 1.00 0.00 H new ATOM 1947 N SER A 140 30.342 -7.743 -5.448 1.00 0.00 N ATOM 1948 CA SER A 140 31.617 -8.370 -5.751 1.00 0.00 C ATOM 1949 C SER A 140 32.747 -7.714 -4.960 1.00 0.00 C ATOM 1950 O SER A 140 32.727 -6.501 -4.725 1.00 0.00 O ATOM 1951 CB SER A 140 31.893 -8.281 -7.254 1.00 0.00 C ATOM 1952 OG SER A 140 33.050 -9.016 -7.612 1.00 0.00 O ATOM 0 H SER A 140 29.994 -7.126 -6.182 1.00 0.00 H new ATOM 0 HA SER A 140 31.568 -9.419 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 140 31.034 -8.661 -7.806 1.00 0.00 H new ATOM 0 HB3 SER A 140 32.020 -7.237 -7.541 1.00 0.00 H new ATOM 0 HG SER A 140 33.199 -8.941 -8.578 1.00 0.00 H new ATOM 1958 N ILE A 141 33.725 -8.532 -4.567 1.00 0.00 N ATOM 1959 CA ILE A 141 34.868 -8.090 -3.769 1.00 0.00 C ATOM 1960 C ILE A 141 34.424 -7.715 -2.358 1.00 0.00 C ATOM 1961 O ILE A 141 34.128 -6.530 -2.105 1.00 0.00 O ATOM 1962 CB ILE A 141 35.624 -6.908 -4.425 1.00 0.00 C ATOM 1963 CG1 ILE A 141 36.064 -7.287 -5.842 1.00 0.00 C ATOM 1964 CG2 ILE A 141 36.835 -6.514 -3.583 1.00 0.00 C ATOM 1965 CD1 ILE A 141 36.802 -6.184 -6.566 1.00 0.00 C ATOM 1966 OXT ILE A 141 34.351 -8.624 -1.507 1.00 0.00 O ATOM 0 H ILE A 141 33.746 -9.526 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 141 35.562 -8.929 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 141 34.951 -6.053 -4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 141 36.705 -8.167 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 141 35.185 -7.566 -6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 141 37.354 -5.682 -4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 141 36.505 -6.214 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 141 37.512 -7.364 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 141 37.081 -6.526 -7.562 1.00 0.00 H new ATOM 0 HD12 ILE A 141 36.157 -5.309 -6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 141 37.700 -5.920 -6.008 1.00 0.00 H new TER 1978 ILE A 141