USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 757 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 82 CYS SG : rot -140:sc= -1.99 USER MOD Set 1.2: A 93 SER OG : rot -66:sc= 0.788 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0931 X(o=-0.093,f=-0.31) USER MOD Single : A 13 SER OG : rot 170:sc= -0.12 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -4.6! C(o=-4.6!,f=-6.6!) USER MOD Single : A 19 TYR OH : rot -57:sc= -1.4! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 70:sc= -0.851 USER MOD Single : A 23 TYR OH : rot 34:sc= 1.21 USER MOD Single : A 25 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.011) USER MOD Single : A 30 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -84:sc= 0.133! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 0:sc= 0.696 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.61! K(o=-3.6!,f=-2.6) USER MOD Single : A 84 GLN : amide:sc= -0.48 K(o=-0.48,f=-2.9!) USER MOD Single : A 85 ASN : amide:sc= -2.5 K(o=-2.5,f=-6.2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -52:sc= 0.0103 USER MOD Single : A 104 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-0.094) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 7 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LEU A 7 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LEU A 7 1.098 0.081 -2.421 1.00 0.00 C ATOM 4 O LEU A 7 -0.105 0.243 -2.224 1.00 0.00 O ATOM 5 CB LEU A 7 3.011 -1.207 -1.307 1.00 0.00 C ATOM 6 CG LEU A 7 4.375 -1.031 -0.636 1.00 0.00 C ATOM 7 CD1 LEU A 7 4.840 -2.337 0.012 1.00 0.00 C ATOM 8 CD2 LEU A 7 5.406 -0.483 -1.624 1.00 0.00 C ATOM 0 HA LEU A 7 2.716 0.878 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.508 -2.057 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.173 -1.463 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 7 4.271 -0.295 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.812 -2.184 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.117 -2.646 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.923 -3.112 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.366 -0.368 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.514 -1.176 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.073 0.485 -1.997 1.00 0.00 H new ATOM 20 N SER A 8 1.654 -0.035 -3.619 1.00 0.00 N ATOM 21 CA SER A 8 0.848 0.024 -4.826 1.00 0.00 C ATOM 22 C SER A 8 -0.140 -1.144 -4.853 1.00 0.00 C ATOM 23 O SER A 8 -0.120 -2.000 -3.969 1.00 0.00 O ATOM 24 CB SER A 8 1.728 0.003 -6.078 1.00 0.00 C ATOM 25 OG SER A 8 2.149 1.310 -6.456 1.00 0.00 O ATOM 0 H SER A 8 2.652 -0.169 -3.779 1.00 0.00 H new ATOM 0 HA SER A 8 0.293 0.962 -4.821 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.603 -0.621 -5.896 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.177 -0.453 -6.901 1.00 0.00 H new ATOM 0 HG SER A 8 2.710 1.254 -7.258 1.00 0.00 H new ATOM 31 N LEU A 9 -0.982 -1.142 -5.876 1.00 0.00 N ATOM 32 CA LEU A 9 -1.976 -2.191 -6.030 1.00 0.00 C ATOM 33 C LEU A 9 -1.281 -3.553 -6.011 1.00 0.00 C ATOM 34 O LEU A 9 -1.825 -4.525 -5.487 1.00 0.00 O ATOM 35 CB LEU A 9 -2.821 -1.949 -7.282 1.00 0.00 C ATOM 36 CG LEU A 9 -3.354 -0.527 -7.468 1.00 0.00 C ATOM 37 CD1 LEU A 9 -4.265 -0.438 -8.693 1.00 0.00 C ATOM 38 CD2 LEU A 9 -4.051 -0.032 -6.198 1.00 0.00 C ATOM 0 H LEU A 9 -0.996 -0.430 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.676 -2.178 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.223 -2.208 -8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.669 -2.634 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.506 0.134 -7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.630 0.583 -8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.705 -0.720 -9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.111 -1.114 -8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.421 0.981 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.887 -0.690 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.342 -0.034 -5.370 1.00 0.00 H new ATOM 50 N THR A 10 -0.089 -3.582 -6.588 1.00 0.00 N ATOM 51 CA THR A 10 0.687 -4.809 -6.644 1.00 0.00 C ATOM 52 C THR A 10 0.711 -5.488 -5.273 1.00 0.00 C ATOM 53 O THR A 10 0.030 -6.491 -5.061 1.00 0.00 O ATOM 54 CB THR A 10 2.080 -4.465 -7.175 1.00 0.00 C ATOM 55 OG1 THR A 10 1.875 -4.247 -8.569 1.00 0.00 O ATOM 56 CG2 THR A 10 3.038 -5.656 -7.121 1.00 0.00 C ATOM 0 H THR A 10 0.359 -2.774 -7.021 1.00 0.00 H new ATOM 0 HA THR A 10 0.234 -5.532 -7.323 1.00 0.00 H new ATOM 0 HB THR A 10 2.495 -3.639 -6.597 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.728 -4.017 -8.993 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.012 -5.358 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.146 -5.990 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.640 -6.471 -7.726 1.00 0.00 H new ATOM 64 N GLN A 11 1.501 -4.914 -4.377 1.00 0.00 N ATOM 65 CA GLN A 11 1.622 -5.451 -3.033 1.00 0.00 C ATOM 66 C GLN A 11 0.249 -5.510 -2.359 1.00 0.00 C ATOM 67 O GLN A 11 -0.009 -6.396 -1.546 1.00 0.00 O ATOM 68 CB GLN A 11 2.607 -4.628 -2.200 1.00 0.00 C ATOM 69 CG GLN A 11 3.832 -5.461 -1.818 1.00 0.00 C ATOM 70 CD GLN A 11 3.448 -6.594 -0.863 1.00 0.00 C ATOM 71 OE1 GLN A 11 3.221 -7.725 -1.260 1.00 0.00 O ATOM 72 NE2 GLN A 11 3.388 -6.228 0.414 1.00 0.00 N ATOM 0 H GLN A 11 2.063 -4.082 -4.556 1.00 0.00 H new ATOM 0 HA GLN A 11 2.015 -6.465 -3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.921 -3.750 -2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.113 -4.267 -1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.288 -5.877 -2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.579 -4.821 -1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.590 -5.264 0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.140 -6.911 1.129 1.00 0.00 H new ATOM 81 N LEU A 12 -0.594 -4.555 -2.722 1.00 0.00 N ATOM 82 CA LEU A 12 -1.933 -4.487 -2.163 1.00 0.00 C ATOM 83 C LEU A 12 -2.687 -5.776 -2.496 1.00 0.00 C ATOM 84 O LEU A 12 -3.727 -6.061 -1.906 1.00 0.00 O ATOM 85 CB LEU A 12 -2.647 -3.218 -2.634 1.00 0.00 C ATOM 86 CG LEU A 12 -3.709 -2.655 -1.687 1.00 0.00 C ATOM 87 CD1 LEU A 12 -4.887 -3.621 -1.549 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.100 -2.295 -0.331 1.00 0.00 C ATOM 0 H LEU A 12 -0.376 -3.822 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.888 -4.415 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.897 -2.446 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.119 -3.426 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.098 -1.733 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.628 -3.197 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.341 -3.783 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.533 -4.572 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.876 -1.897 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.667 -3.187 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.322 -1.544 -0.469 1.00 0.00 H new ATOM 100 N SER A 13 -2.132 -6.520 -3.441 1.00 0.00 N ATOM 101 CA SER A 13 -2.738 -7.772 -3.861 1.00 0.00 C ATOM 102 C SER A 13 -1.654 -8.758 -4.298 1.00 0.00 C ATOM 103 O SER A 13 -1.884 -9.593 -5.171 1.00 0.00 O ATOM 104 CB SER A 13 -3.739 -7.546 -4.995 1.00 0.00 C ATOM 105 OG SER A 13 -5.032 -8.054 -4.676 1.00 0.00 O ATOM 0 H SER A 13 -1.269 -6.280 -3.928 1.00 0.00 H new ATOM 0 HA SER A 13 -3.280 -8.191 -3.013 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.811 -6.479 -5.208 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.374 -8.028 -5.902 1.00 0.00 H new ATOM 0 HG SER A 13 -5.677 -7.751 -5.348 1.00 0.00 H new ATOM 111 N SER A 14 -0.494 -8.630 -3.671 1.00 0.00 N ATOM 112 CA SER A 14 0.627 -9.499 -3.985 1.00 0.00 C ATOM 113 C SER A 14 0.783 -9.625 -5.501 1.00 0.00 C ATOM 114 O SER A 14 1.323 -10.616 -5.993 1.00 0.00 O ATOM 115 CB SER A 14 0.446 -10.881 -3.353 1.00 0.00 C ATOM 116 OG SER A 14 1.538 -11.227 -2.505 1.00 0.00 O ATOM 0 H SER A 14 -0.306 -7.937 -2.947 1.00 0.00 H new ATOM 0 HA SER A 14 1.531 -9.055 -3.569 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.480 -10.898 -2.778 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.346 -11.629 -4.139 1.00 0.00 H new ATOM 0 HG SER A 14 1.384 -12.115 -2.119 1.00 0.00 H new ATOM 122 N GLY A 15 0.301 -8.608 -6.200 1.00 0.00 N ATOM 123 CA GLY A 15 0.381 -8.593 -7.651 1.00 0.00 C ATOM 124 C GLY A 15 -0.874 -9.207 -8.275 1.00 0.00 C ATOM 125 O GLY A 15 -0.786 -10.165 -9.042 1.00 0.00 O ATOM 0 H GLY A 15 -0.146 -7.789 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.502 -7.568 -8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.262 -9.147 -7.976 1.00 0.00 H new ATOM 129 N ASN A 16 -2.014 -8.630 -7.924 1.00 0.00 N ATOM 130 CA ASN A 16 -3.285 -9.109 -8.440 1.00 0.00 C ATOM 131 C ASN A 16 -4.094 -7.923 -8.972 1.00 0.00 C ATOM 132 O ASN A 16 -4.788 -7.250 -8.212 1.00 0.00 O ATOM 133 CB ASN A 16 -4.106 -9.785 -7.340 1.00 0.00 C ATOM 134 CG ASN A 16 -4.944 -10.933 -7.909 1.00 0.00 C ATOM 135 OD1 ASN A 16 -4.968 -11.186 -9.102 1.00 0.00 O ATOM 136 ND2 ASN A 16 -5.627 -11.611 -6.991 1.00 0.00 N ATOM 0 H ASN A 16 -2.084 -7.835 -7.289 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.078 -9.830 -9.231 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.440 -10.165 -6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.760 -9.052 -6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.216 -12.396 -7.270 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.562 -11.346 -6.008 1.00 0.00 H new ATOM 143 N PRO A 17 -3.973 -7.699 -10.307 1.00 0.00 N ATOM 144 CA PRO A 17 -4.684 -6.606 -10.950 1.00 0.00 C ATOM 145 C PRO A 17 -6.171 -6.935 -11.104 1.00 0.00 C ATOM 146 O PRO A 17 -6.964 -6.076 -11.484 1.00 0.00 O ATOM 147 CB PRO A 17 -3.979 -6.407 -12.281 1.00 0.00 C ATOM 148 CG PRO A 17 -3.203 -7.688 -12.538 1.00 0.00 C ATOM 149 CD PRO A 17 -3.160 -8.476 -11.238 1.00 0.00 C ATOM 0 HA PRO A 17 -4.664 -5.688 -10.363 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.697 -6.219 -13.079 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.311 -5.547 -12.244 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.681 -8.273 -13.323 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.193 -7.461 -12.880 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.561 -9.481 -11.371 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.138 -8.586 -10.875 1.00 0.00 H new ATOM 157 N VAL A 18 -6.503 -8.181 -10.800 1.00 0.00 N ATOM 158 CA VAL A 18 -7.880 -8.635 -10.900 1.00 0.00 C ATOM 159 C VAL A 18 -8.811 -7.545 -10.363 1.00 0.00 C ATOM 160 O VAL A 18 -9.909 -7.352 -10.882 1.00 0.00 O ATOM 161 CB VAL A 18 -8.044 -9.972 -10.176 1.00 0.00 C ATOM 162 CG1 VAL A 18 -7.605 -9.862 -8.714 1.00 0.00 C ATOM 163 CG2 VAL A 18 -9.485 -10.478 -10.279 1.00 0.00 C ATOM 0 H VAL A 18 -5.842 -8.891 -10.484 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.151 -8.810 -11.941 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.397 -10.700 -10.666 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.732 -10.827 -8.222 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.556 -9.568 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.214 -9.113 -8.207 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.575 -11.430 -9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.159 -9.751 -9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.749 -10.614 -11.328 1.00 0.00 H new ATOM 173 N TYR A 19 -8.337 -6.863 -9.331 1.00 0.00 N ATOM 174 CA TYR A 19 -9.113 -5.798 -8.719 1.00 0.00 C ATOM 175 C TYR A 19 -9.296 -4.627 -9.686 1.00 0.00 C ATOM 176 O TYR A 19 -10.399 -4.102 -9.829 1.00 0.00 O ATOM 177 CB TYR A 19 -8.301 -5.326 -7.511 1.00 0.00 C ATOM 178 CG TYR A 19 -8.998 -5.549 -6.167 1.00 0.00 C ATOM 179 CD1 TYR A 19 -9.846 -6.625 -6.000 1.00 0.00 C ATOM 180 CD2 TYR A 19 -8.777 -4.675 -5.122 1.00 0.00 C ATOM 181 CE1 TYR A 19 -10.501 -6.835 -4.735 1.00 0.00 C ATOM 182 CE2 TYR A 19 -9.432 -4.886 -3.857 1.00 0.00 C ATOM 183 CZ TYR A 19 -10.262 -5.955 -3.726 1.00 0.00 C ATOM 184 OH TYR A 19 -10.881 -6.154 -2.531 1.00 0.00 O ATOM 0 H TYR A 19 -7.426 -7.027 -8.903 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.105 -6.156 -8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.344 -5.848 -7.503 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.084 -4.264 -7.624 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.018 -7.309 -6.818 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.113 -3.833 -5.253 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.167 -7.673 -4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.268 -4.210 -3.031 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.851 -6.177 -2.665 1.00 0.00 H new ATOM 194 N GLU A 20 -8.197 -4.251 -10.324 1.00 0.00 N ATOM 195 CA GLU A 20 -8.222 -3.151 -11.273 1.00 0.00 C ATOM 196 C GLU A 20 -9.455 -3.255 -12.173 1.00 0.00 C ATOM 197 O GLU A 20 -10.068 -2.243 -12.511 1.00 0.00 O ATOM 198 CB GLU A 20 -6.938 -3.114 -12.103 1.00 0.00 C ATOM 199 CG GLU A 20 -6.110 -1.870 -11.778 1.00 0.00 C ATOM 200 CD GLU A 20 -6.234 -0.823 -12.887 1.00 0.00 C ATOM 201 OE1 GLU A 20 -7.299 -0.206 -13.041 1.00 0.00 O ATOM 202 OE2 GLU A 20 -5.173 -0.658 -13.603 1.00 0.00 O ATOM 0 H GLU A 20 -7.284 -4.689 -10.202 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.281 -2.216 -10.715 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.348 -4.009 -11.907 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.187 -3.123 -13.164 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.444 -1.444 -10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.064 -2.148 -11.651 1.00 0.00 H new ATOM 210 N LYS A 21 -9.781 -4.486 -12.536 1.00 0.00 N ATOM 211 CA LYS A 21 -10.930 -4.735 -13.391 1.00 0.00 C ATOM 212 C LYS A 21 -12.168 -4.079 -12.777 1.00 0.00 C ATOM 213 O LYS A 21 -12.965 -3.466 -13.486 1.00 0.00 O ATOM 214 CB LYS A 21 -11.092 -6.235 -13.647 1.00 0.00 C ATOM 215 CG LYS A 21 -12.166 -6.834 -12.736 1.00 0.00 C ATOM 216 CD LYS A 21 -12.381 -8.317 -13.045 1.00 0.00 C ATOM 217 CE LYS A 21 -13.644 -8.525 -13.883 1.00 0.00 C ATOM 218 NZ LYS A 21 -14.217 -9.867 -13.633 1.00 0.00 N ATOM 0 H LYS A 21 -9.270 -5.322 -12.254 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.781 -4.282 -14.371 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.360 -6.403 -14.690 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.142 -6.741 -13.477 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.871 -6.715 -11.693 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.103 -6.292 -12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.516 -8.710 -13.580 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.461 -8.878 -12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.379 -7.758 -13.640 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.407 -8.415 -14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.074 -9.992 -14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.519 -10.595 -13.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.461 -9.958 -12.626 1.00 0.00 H new ATOM 229 N TYR A 22 -12.291 -4.230 -11.467 1.00 0.00 N ATOM 230 CA TYR A 22 -13.419 -3.659 -10.750 1.00 0.00 C ATOM 231 C TYR A 22 -13.281 -2.140 -10.631 1.00 0.00 C ATOM 232 O TYR A 22 -14.257 -1.410 -10.799 1.00 0.00 O ATOM 233 CB TYR A 22 -13.383 -4.274 -9.350 1.00 0.00 C ATOM 234 CG TYR A 22 -13.339 -5.803 -9.342 1.00 0.00 C ATOM 235 CD1 TYR A 22 -14.013 -6.518 -10.311 1.00 0.00 C ATOM 236 CD2 TYR A 22 -12.625 -6.468 -8.365 1.00 0.00 C ATOM 237 CE1 TYR A 22 -13.971 -7.957 -10.304 1.00 0.00 C ATOM 238 CE2 TYR A 22 -12.583 -7.907 -8.358 1.00 0.00 C ATOM 239 CZ TYR A 22 -13.258 -8.581 -9.328 1.00 0.00 C ATOM 240 OH TYR A 22 -13.219 -9.940 -9.321 1.00 0.00 O ATOM 0 H TYR A 22 -11.628 -4.740 -10.883 1.00 0.00 H new ATOM 0 HA TYR A 22 -14.352 -3.867 -11.274 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -12.510 -3.893 -8.820 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -14.262 -3.943 -8.797 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -14.572 -5.998 -11.075 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -12.098 -5.909 -7.606 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -14.494 -8.528 -11.057 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -12.028 -8.439 -7.600 1.00 0.00 H new ATOM 0 HH TYR A 22 -12.688 -10.256 -10.081 1.00 0.00 H new ATOM 250 N TYR A 23 -12.062 -1.709 -10.343 1.00 0.00 N ATOM 251 CA TYR A 23 -11.784 -0.290 -10.200 1.00 0.00 C ATOM 252 C TYR A 23 -12.242 0.485 -11.437 1.00 0.00 C ATOM 253 O TYR A 23 -12.763 1.594 -11.322 1.00 0.00 O ATOM 254 CB TYR A 23 -10.265 -0.169 -10.070 1.00 0.00 C ATOM 255 CG TYR A 23 -9.713 1.202 -10.466 1.00 0.00 C ATOM 256 CD1 TYR A 23 -9.533 1.514 -11.798 1.00 0.00 C ATOM 257 CD2 TYR A 23 -9.397 2.126 -9.492 1.00 0.00 C ATOM 258 CE1 TYR A 23 -9.014 2.804 -12.172 1.00 0.00 C ATOM 259 CE2 TYR A 23 -8.878 3.417 -9.865 1.00 0.00 C ATOM 260 CZ TYR A 23 -8.712 3.692 -11.187 1.00 0.00 C ATOM 261 OH TYR A 23 -8.222 4.911 -11.539 1.00 0.00 O ATOM 0 H TYR A 23 -11.255 -2.318 -10.205 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.311 0.120 -9.338 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -9.981 -0.379 -9.039 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.796 -0.931 -10.692 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.781 0.790 -12.560 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.539 1.882 -8.450 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.868 3.061 -13.211 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.626 4.150 -9.112 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.630 5.196 -12.383 1.00 0.00 H new ATOM 271 N ARG A 24 -12.029 -0.127 -12.592 1.00 0.00 N ATOM 272 CA ARG A 24 -12.413 0.492 -13.850 1.00 0.00 C ATOM 273 C ARG A 24 -13.937 0.522 -13.983 1.00 0.00 C ATOM 274 O ARG A 24 -14.495 1.450 -14.566 1.00 0.00 O ATOM 275 CB ARG A 24 -11.819 -0.264 -15.040 1.00 0.00 C ATOM 276 CG ARG A 24 -11.716 0.642 -16.268 1.00 0.00 C ATOM 277 CD ARG A 24 -12.993 0.576 -17.108 1.00 0.00 C ATOM 278 NE ARG A 24 -12.715 -0.093 -18.399 1.00 0.00 N ATOM 279 CZ ARG A 24 -13.453 0.082 -19.516 1.00 0.00 C ATOM 280 NH1 ARG A 24 -14.521 0.908 -19.509 1.00 0.00 N ATOM 281 NH2 ARG A 24 -13.114 -0.566 -20.615 1.00 0.00 N ATOM 0 H ARG A 24 -11.595 -1.046 -12.684 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.024 1.510 -13.851 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.831 -0.642 -14.779 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.440 -1.129 -15.273 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.537 1.670 -15.952 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.862 0.342 -16.875 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.767 0.032 -16.566 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.374 1.582 -17.285 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.916 -0.725 -18.448 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.775 1.405 -18.656 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.073 1.035 -20.357 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.305 -1.188 -20.612 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.661 -0.445 -21.468 1.00 0.00 H new ATOM 294 N GLN A 25 -14.568 -0.505 -13.432 1.00 0.00 N ATOM 295 CA GLN A 25 -16.016 -0.608 -13.483 1.00 0.00 C ATOM 296 C GLN A 25 -16.658 0.576 -12.756 1.00 0.00 C ATOM 297 O GLN A 25 -17.656 1.126 -13.219 1.00 0.00 O ATOM 298 CB GLN A 25 -16.492 -1.937 -12.893 1.00 0.00 C ATOM 299 CG GLN A 25 -16.215 -3.094 -13.854 1.00 0.00 C ATOM 300 CD GLN A 25 -16.927 -4.369 -13.398 1.00 0.00 C ATOM 301 OE1 GLN A 25 -16.321 -5.404 -13.175 1.00 0.00 O ATOM 302 NE2 GLN A 25 -18.245 -4.237 -13.272 1.00 0.00 N ATOM 0 H GLN A 25 -14.103 -1.273 -12.948 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.327 -0.580 -14.527 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -15.988 -2.119 -11.944 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.560 -1.883 -12.681 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -16.548 -2.826 -14.857 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.142 -3.274 -13.912 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -18.690 -3.342 -13.475 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.811 -5.031 -12.973 1.00 0.00 H new ATOM 311 N VAL A 26 -16.059 0.933 -11.629 1.00 0.00 N ATOM 312 CA VAL A 26 -16.559 2.041 -10.834 1.00 0.00 C ATOM 313 C VAL A 26 -16.011 3.355 -11.396 1.00 0.00 C ATOM 314 O VAL A 26 -16.561 4.423 -11.134 1.00 0.00 O ATOM 315 CB VAL A 26 -16.208 1.828 -9.360 1.00 0.00 C ATOM 316 CG1 VAL A 26 -16.028 0.341 -9.049 1.00 0.00 C ATOM 317 CG2 VAL A 26 -14.960 2.624 -8.974 1.00 0.00 C ATOM 0 H VAL A 26 -15.232 0.474 -11.248 1.00 0.00 H new ATOM 0 HA VAL A 26 -17.646 2.092 -10.891 1.00 0.00 H new ATOM 0 HB VAL A 26 -17.040 2.197 -8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.779 0.217 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.954 -0.191 -9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.223 -0.064 -9.662 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.732 2.455 -7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.118 2.299 -9.584 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.140 3.686 -9.141 1.00 0.00 H new ATOM 327 N GLU A 27 -14.935 3.232 -12.158 1.00 0.00 N ATOM 328 CA GLU A 27 -14.306 4.396 -12.759 1.00 0.00 C ATOM 329 C GLU A 27 -15.275 5.084 -13.723 1.00 0.00 C ATOM 330 O GLU A 27 -16.017 4.418 -14.443 1.00 0.00 O ATOM 331 CB GLU A 27 -13.007 4.012 -13.469 1.00 0.00 C ATOM 332 CG GLU A 27 -12.307 5.248 -14.039 1.00 0.00 C ATOM 333 CD GLU A 27 -11.921 5.033 -15.503 1.00 0.00 C ATOM 334 OE1 GLU A 27 -11.552 3.914 -15.889 1.00 0.00 O ATOM 335 OE2 GLU A 27 -12.015 6.080 -16.251 1.00 0.00 O ATOM 0 H GLU A 27 -14.482 2.344 -12.373 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.053 5.099 -11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.343 3.504 -12.770 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.222 3.308 -14.273 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.965 6.113 -13.956 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.415 5.468 -13.453 1.00 0.00 H new ATOM 343 N ALA A 28 -15.237 6.408 -13.705 1.00 0.00 N ATOM 344 CA ALA A 28 -16.103 7.194 -14.568 1.00 0.00 C ATOM 345 C ALA A 28 -15.244 8.061 -15.491 1.00 0.00 C ATOM 346 O ALA A 28 -14.050 8.234 -15.252 1.00 0.00 O ATOM 347 CB ALA A 28 -17.060 8.025 -13.711 1.00 0.00 C ATOM 0 H ALA A 28 -14.620 6.957 -13.106 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.711 6.544 -15.197 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.709 8.614 -14.358 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.667 7.361 -13.095 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.486 8.692 -13.068 1.00 0.00 H new ATOM 353 N GLY A 29 -15.886 8.583 -16.525 1.00 0.00 N ATOM 354 CA GLY A 29 -15.196 9.428 -17.485 1.00 0.00 C ATOM 355 C GLY A 29 -14.215 8.611 -18.329 1.00 0.00 C ATOM 356 O GLY A 29 -14.231 7.382 -18.290 1.00 0.00 O ATOM 0 H GLY A 29 -16.877 8.437 -16.719 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.923 9.915 -18.135 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.659 10.218 -16.960 1.00 0.00 H new ATOM 360 N ASN A 30 -13.383 9.328 -19.071 1.00 0.00 N ATOM 361 CA ASN A 30 -12.397 8.685 -19.923 1.00 0.00 C ATOM 362 C ASN A 30 -11.002 9.196 -19.556 1.00 0.00 C ATOM 363 O ASN A 30 -10.103 9.212 -20.394 1.00 0.00 O ATOM 364 CB ASN A 30 -12.647 9.009 -21.397 1.00 0.00 C ATOM 365 CG ASN A 30 -13.025 7.750 -22.179 1.00 0.00 C ATOM 366 OD1 ASN A 30 -14.084 7.172 -22.001 1.00 0.00 O ATOM 367 ND2 ASN A 30 -12.101 7.359 -23.052 1.00 0.00 N ATOM 0 H ASN A 30 -13.372 10.348 -19.100 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.473 7.608 -19.773 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.445 9.747 -21.480 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.753 9.456 -21.831 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.258 6.528 -23.623 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.236 7.890 -23.151 1.00 0.00 H new ATOM 374 N THR A 31 -10.866 9.602 -18.302 1.00 0.00 N ATOM 375 CA THR A 31 -9.597 10.113 -17.814 1.00 0.00 C ATOM 376 C THR A 31 -8.840 9.022 -17.053 1.00 0.00 C ATOM 377 O THR A 31 -7.613 9.054 -16.972 1.00 0.00 O ATOM 378 CB THR A 31 -9.880 11.356 -16.969 1.00 0.00 C ATOM 379 OG1 THR A 31 -8.627 12.033 -16.917 1.00 0.00 O ATOM 380 CG2 THR A 31 -10.182 11.016 -15.508 1.00 0.00 C ATOM 0 H THR A 31 -11.614 9.587 -17.609 1.00 0.00 H new ATOM 0 HA THR A 31 -8.946 10.404 -18.638 1.00 0.00 H new ATOM 0 HB THR A 31 -10.723 11.900 -17.396 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.720 12.853 -16.389 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.375 11.934 -14.953 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.059 10.370 -15.458 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.327 10.501 -15.070 1.00 0.00 H new ATOM 388 N GLY A 32 -9.603 8.081 -16.516 1.00 0.00 N ATOM 389 CA GLY A 32 -9.021 6.983 -15.765 1.00 0.00 C ATOM 390 C GLY A 32 -9.123 7.232 -14.259 1.00 0.00 C ATOM 391 O GLY A 32 -8.491 6.536 -13.466 1.00 0.00 O ATOM 0 H GLY A 32 -10.620 8.057 -16.587 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.531 6.054 -16.019 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.975 6.860 -16.047 1.00 0.00 H new ATOM 395 N ARG A 33 -9.924 8.229 -13.910 1.00 0.00 N ATOM 396 CA ARG A 33 -10.117 8.579 -12.513 1.00 0.00 C ATOM 397 C ARG A 33 -11.426 7.983 -11.993 1.00 0.00 C ATOM 398 O ARG A 33 -12.394 7.854 -12.740 1.00 0.00 O ATOM 399 CB ARG A 33 -10.145 10.097 -12.325 1.00 0.00 C ATOM 400 CG ARG A 33 -8.728 10.661 -12.203 1.00 0.00 C ATOM 401 CD ARG A 33 -8.751 12.189 -12.126 1.00 0.00 C ATOM 402 NE ARG A 33 -8.376 12.633 -10.765 1.00 0.00 N ATOM 403 CZ ARG A 33 -8.099 13.913 -10.436 1.00 0.00 C ATOM 404 NH1 ARG A 33 -8.153 14.887 -11.369 1.00 0.00 N ATOM 405 NH2 ARG A 33 -7.774 14.197 -9.189 1.00 0.00 N ATOM 0 H ARG A 33 -10.446 8.805 -14.570 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.279 8.170 -11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.654 10.562 -13.169 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.717 10.346 -11.431 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.247 10.256 -11.313 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.132 10.345 -13.059 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.060 12.609 -12.857 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.745 12.559 -12.377 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.323 11.928 -10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.405 14.659 -12.331 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.942 15.851 -11.112 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.735 13.455 -8.490 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.562 15.159 -8.924 1.00 0.00 H new ATOM 418 N VAL A 34 -11.414 7.635 -10.714 1.00 0.00 N ATOM 419 CA VAL A 34 -12.589 7.056 -10.085 1.00 0.00 C ATOM 420 C VAL A 34 -13.477 8.178 -9.543 1.00 0.00 C ATOM 421 O VAL A 34 -13.069 8.922 -8.653 1.00 0.00 O ATOM 422 CB VAL A 34 -12.165 6.055 -9.008 1.00 0.00 C ATOM 423 CG1 VAL A 34 -13.320 5.120 -8.644 1.00 0.00 C ATOM 424 CG2 VAL A 34 -10.935 5.261 -9.450 1.00 0.00 C ATOM 0 H VAL A 34 -10.609 7.743 -10.097 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.178 6.499 -10.814 1.00 0.00 H new ATOM 0 HB VAL A 34 -11.896 6.618 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.992 4.419 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.157 5.706 -8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.634 4.568 -9.530 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.655 4.557 -8.666 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.165 4.714 -10.364 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.107 5.946 -9.635 1.00 0.00 H new ATOM 434 N LEU A 35 -14.675 8.263 -10.102 1.00 0.00 N ATOM 435 CA LEU A 35 -15.625 9.281 -9.686 1.00 0.00 C ATOM 436 C LEU A 35 -15.957 9.088 -8.205 1.00 0.00 C ATOM 437 O LEU A 35 -16.565 9.957 -7.583 1.00 0.00 O ATOM 438 CB LEU A 35 -16.853 9.272 -10.598 1.00 0.00 C ATOM 439 CG LEU A 35 -17.042 10.507 -11.481 1.00 0.00 C ATOM 440 CD1 LEU A 35 -18.230 10.328 -12.428 1.00 0.00 C ATOM 441 CD2 LEU A 35 -17.170 11.774 -10.633 1.00 0.00 C ATOM 0 H LEU A 35 -15.010 7.643 -10.840 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.188 10.274 -9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.796 8.395 -11.242 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -17.741 9.154 -9.977 1.00 0.00 H new ATOM 0 HG LEU A 35 -16.152 10.623 -12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.342 11.220 -13.044 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.057 9.464 -13.069 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.139 10.172 -11.846 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.303 12.637 -11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -18.031 11.683 -9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.267 11.906 -10.037 1.00 0.00 H new ATOM 453 N ALA A 36 -15.542 7.943 -7.683 1.00 0.00 N ATOM 454 CA ALA A 36 -15.788 7.624 -6.287 1.00 0.00 C ATOM 455 C ALA A 36 -17.254 7.223 -6.110 1.00 0.00 C ATOM 456 O ALA A 36 -17.548 6.135 -5.617 1.00 0.00 O ATOM 457 CB ALA A 36 -15.402 8.821 -5.415 1.00 0.00 C ATOM 0 H ALA A 36 -15.037 7.225 -8.202 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.175 6.779 -5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.586 8.583 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.345 9.047 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.999 9.687 -5.700 1.00 0.00 H new ATOM 463 N LEU A 37 -18.135 8.122 -6.522 1.00 0.00 N ATOM 464 CA LEU A 37 -19.563 7.875 -6.416 1.00 0.00 C ATOM 465 C LEU A 37 -19.866 6.452 -6.889 1.00 0.00 C ATOM 466 O LEU A 37 -20.530 5.690 -6.188 1.00 0.00 O ATOM 467 CB LEU A 37 -20.350 8.953 -7.164 1.00 0.00 C ATOM 468 CG LEU A 37 -20.666 10.224 -6.372 1.00 0.00 C ATOM 469 CD1 LEU A 37 -21.981 10.078 -5.604 1.00 0.00 C ATOM 470 CD2 LEU A 37 -19.503 10.599 -5.452 1.00 0.00 C ATOM 0 H LEU A 37 -17.888 9.023 -6.930 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.885 7.941 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -19.787 9.234 -8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -21.290 8.518 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 37 -20.795 11.044 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.182 10.995 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -22.794 9.893 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.905 9.242 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -19.753 11.505 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.318 9.786 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -18.608 10.773 -6.049 1.00 0.00 H new ATOM 482 N ASP A 38 -19.366 6.137 -8.075 1.00 0.00 N ATOM 483 CA ASP A 38 -19.575 4.820 -8.649 1.00 0.00 C ATOM 484 C ASP A 38 -18.965 3.763 -7.727 1.00 0.00 C ATOM 485 O ASP A 38 -19.501 2.663 -7.596 1.00 0.00 O ATOM 486 CB ASP A 38 -18.899 4.701 -10.017 1.00 0.00 C ATOM 487 CG ASP A 38 -19.849 4.750 -11.215 1.00 0.00 C ATOM 488 OD1 ASP A 38 -20.873 4.051 -11.246 1.00 0.00 O ATOM 489 OD2 ASP A 38 -19.498 5.558 -12.157 1.00 0.00 O ATOM 0 H ASP A 38 -18.816 6.772 -8.654 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.648 4.669 -8.763 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -18.171 5.506 -10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -18.344 3.763 -10.051 1.00 0.00 H new ATOM 495 N ALA A 39 -17.851 4.133 -7.111 1.00 0.00 N ATOM 496 CA ALA A 39 -17.162 3.230 -6.204 1.00 0.00 C ATOM 497 C ALA A 39 -18.122 2.799 -5.093 1.00 0.00 C ATOM 498 O ALA A 39 -18.264 1.609 -4.818 1.00 0.00 O ATOM 499 CB ALA A 39 -15.908 3.915 -5.658 1.00 0.00 C ATOM 0 H ALA A 39 -17.409 5.045 -7.222 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.840 2.330 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.391 3.238 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -15.246 4.175 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.192 4.821 -5.122 1.00 0.00 H new ATOM 505 N ALA A 40 -18.756 3.791 -4.485 1.00 0.00 N ATOM 506 CA ALA A 40 -19.698 3.530 -3.410 1.00 0.00 C ATOM 507 C ALA A 40 -20.805 2.606 -3.922 1.00 0.00 C ATOM 508 O ALA A 40 -21.450 1.911 -3.138 1.00 0.00 O ATOM 509 CB ALA A 40 -20.245 4.855 -2.877 1.00 0.00 C ATOM 0 H ALA A 40 -18.636 4.777 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 40 -19.203 3.025 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -20.952 4.659 -2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.423 5.462 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -20.751 5.389 -3.681 1.00 0.00 H new ATOM 515 N ALA A 41 -20.991 2.627 -5.234 1.00 0.00 N ATOM 516 CA ALA A 41 -22.009 1.800 -5.859 1.00 0.00 C ATOM 517 C ALA A 41 -21.520 0.351 -5.913 1.00 0.00 C ATOM 518 O ALA A 41 -22.206 -0.557 -5.447 1.00 0.00 O ATOM 519 CB ALA A 41 -22.338 2.357 -7.245 1.00 0.00 C ATOM 0 H ALA A 41 -20.454 3.204 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 41 -22.929 1.815 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -23.102 1.737 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -22.708 3.378 -7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -21.439 2.354 -7.861 1.00 0.00 H new ATOM 525 N PHE A 42 -20.338 0.180 -6.487 1.00 0.00 N ATOM 526 CA PHE A 42 -19.749 -1.143 -6.608 1.00 0.00 C ATOM 527 C PHE A 42 -19.544 -1.780 -5.232 1.00 0.00 C ATOM 528 O PHE A 42 -19.713 -2.987 -5.072 1.00 0.00 O ATOM 529 CB PHE A 42 -18.388 -0.966 -7.284 1.00 0.00 C ATOM 530 CG PHE A 42 -17.522 -2.228 -7.279 1.00 0.00 C ATOM 531 CD1 PHE A 42 -16.906 -2.626 -6.134 1.00 0.00 C ATOM 532 CD2 PHE A 42 -17.370 -2.952 -8.421 1.00 0.00 C ATOM 533 CE1 PHE A 42 -16.104 -3.797 -6.130 1.00 0.00 C ATOM 534 CE2 PHE A 42 -16.567 -4.123 -8.416 1.00 0.00 C ATOM 535 CZ PHE A 42 -15.951 -4.521 -7.271 1.00 0.00 C ATOM 0 H PHE A 42 -19.772 0.936 -6.873 1.00 0.00 H new ATOM 0 HA PHE A 42 -20.408 -1.793 -7.184 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -18.544 -0.649 -8.315 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.846 -0.164 -6.783 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -17.027 -2.051 -5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -17.860 -2.636 -9.330 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.615 -4.113 -5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -16.445 -4.698 -9.322 1.00 0.00 H new ATOM 0 HZ PHE A 42 -15.340 -5.412 -7.268 1.00 0.00 H new ATOM 545 N LEU A 43 -19.181 -0.939 -4.275 1.00 0.00 N ATOM 546 CA LEU A 43 -18.950 -1.405 -2.918 1.00 0.00 C ATOM 547 C LEU A 43 -20.197 -2.135 -2.415 1.00 0.00 C ATOM 548 O LEU A 43 -20.099 -3.226 -1.857 1.00 0.00 O ATOM 549 CB LEU A 43 -18.513 -0.245 -2.020 1.00 0.00 C ATOM 550 CG LEU A 43 -17.105 0.300 -2.267 1.00 0.00 C ATOM 551 CD1 LEU A 43 -16.924 1.669 -1.608 1.00 0.00 C ATOM 552 CD2 LEU A 43 -16.042 -0.701 -1.811 1.00 0.00 C ATOM 0 H LEU A 43 -19.041 0.062 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.129 -2.122 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -19.224 0.572 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.578 -0.571 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.976 0.440 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.915 2.034 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.648 2.371 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -17.080 1.579 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.050 -0.289 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.159 -0.896 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.158 -1.633 -2.365 1.00 0.00 H new ATOM 564 N LYS A 44 -21.342 -1.503 -2.632 1.00 0.00 N ATOM 565 CA LYS A 44 -22.607 -2.079 -2.208 1.00 0.00 C ATOM 566 C LYS A 44 -22.706 -3.516 -2.723 1.00 0.00 C ATOM 567 O LYS A 44 -23.474 -4.318 -2.193 1.00 0.00 O ATOM 568 CB LYS A 44 -23.773 -1.189 -2.641 1.00 0.00 C ATOM 569 CG LYS A 44 -23.995 -0.051 -1.642 1.00 0.00 C ATOM 570 CD LYS A 44 -25.465 0.372 -1.611 1.00 0.00 C ATOM 571 CE LYS A 44 -25.628 1.821 -2.075 1.00 0.00 C ATOM 572 NZ LYS A 44 -26.552 2.551 -1.178 1.00 0.00 N ATOM 0 H LYS A 44 -21.420 -0.598 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 44 -22.659 -2.125 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -23.572 -0.776 -3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -24.680 -1.787 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -23.683 -0.370 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -23.373 0.802 -1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.050 -0.287 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -25.857 0.264 -0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -24.657 2.316 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -26.010 1.842 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -26.652 3.533 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -27.483 2.087 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -26.172 2.547 -0.210 1.00 0.00 H new ATOM 583 N LYS A 45 -21.917 -3.799 -3.749 1.00 0.00 N ATOM 584 CA LYS A 45 -21.906 -5.126 -4.341 1.00 0.00 C ATOM 585 C LYS A 45 -21.042 -6.055 -3.486 1.00 0.00 C ATOM 586 O LYS A 45 -20.684 -7.149 -3.919 1.00 0.00 O ATOM 587 CB LYS A 45 -21.469 -5.055 -5.806 1.00 0.00 C ATOM 588 CG LYS A 45 -22.180 -3.914 -6.536 1.00 0.00 C ATOM 589 CD LYS A 45 -22.114 -4.107 -8.052 1.00 0.00 C ATOM 590 CE LYS A 45 -22.942 -3.044 -8.777 1.00 0.00 C ATOM 591 NZ LYS A 45 -24.232 -3.611 -9.228 1.00 0.00 N ATOM 0 H LYS A 45 -21.281 -3.132 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 45 -22.912 -5.546 -4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -20.390 -4.910 -5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -21.689 -6.001 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -23.221 -3.867 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.720 -2.963 -6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.077 -4.054 -8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.482 -5.100 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.122 -2.199 -8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.386 -2.663 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.782 -2.877 -9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.055 -4.403 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.768 -3.953 -8.405 1.00 0.00 H new ATOM 602 N SER A 46 -20.733 -5.584 -2.287 1.00 0.00 N ATOM 603 CA SER A 46 -19.917 -6.359 -1.367 1.00 0.00 C ATOM 604 C SER A 46 -20.809 -7.256 -0.505 1.00 0.00 C ATOM 605 O SER A 46 -20.822 -8.473 -0.677 1.00 0.00 O ATOM 606 CB SER A 46 -19.068 -5.446 -0.480 1.00 0.00 C ATOM 607 OG SER A 46 -19.851 -4.783 0.508 1.00 0.00 O ATOM 0 H SER A 46 -21.033 -4.676 -1.931 1.00 0.00 H new ATOM 0 HA SER A 46 -19.241 -6.983 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 46 -18.291 -6.035 0.008 1.00 0.00 H new ATOM 0 HB3 SER A 46 -18.564 -4.705 -1.100 1.00 0.00 H new ATOM 0 HG SER A 46 -20.245 -3.973 0.123 1.00 0.00 H new ATOM 613 N GLY A 47 -21.533 -6.618 0.404 1.00 0.00 N ATOM 614 CA GLY A 47 -22.425 -7.343 1.292 1.00 0.00 C ATOM 615 C GLY A 47 -22.609 -6.594 2.614 1.00 0.00 C ATOM 616 O GLY A 47 -23.632 -6.746 3.281 1.00 0.00 O ATOM 0 H GLY A 47 -21.520 -5.608 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -23.393 -7.480 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -22.022 -8.337 1.486 1.00 0.00 H new ATOM 620 N LEU A 48 -21.603 -5.801 2.953 1.00 0.00 N ATOM 621 CA LEU A 48 -21.642 -5.029 4.183 1.00 0.00 C ATOM 622 C LEU A 48 -22.719 -3.948 4.069 1.00 0.00 C ATOM 623 O LEU A 48 -23.165 -3.625 2.969 1.00 0.00 O ATOM 624 CB LEU A 48 -20.253 -4.479 4.514 1.00 0.00 C ATOM 625 CG LEU A 48 -19.309 -5.436 5.246 1.00 0.00 C ATOM 626 CD1 LEU A 48 -17.847 -5.063 4.996 1.00 0.00 C ATOM 627 CD2 LEU A 48 -19.638 -5.495 6.739 1.00 0.00 C ATOM 0 H LEU A 48 -20.757 -5.677 2.398 1.00 0.00 H new ATOM 0 HA LEU A 48 -21.917 -5.666 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -19.775 -4.170 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -20.374 -3.583 5.123 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.459 -6.438 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.198 -5.759 5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.636 -5.114 3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.664 -4.050 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.953 -6.182 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -19.534 -4.501 7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.662 -5.844 6.872 1.00 0.00 H new ATOM 639 N PRO A 49 -23.117 -3.406 5.251 1.00 0.00 N ATOM 640 CA PRO A 49 -24.134 -2.369 5.293 1.00 0.00 C ATOM 641 C PRO A 49 -23.567 -1.026 4.828 1.00 0.00 C ATOM 642 O PRO A 49 -22.441 -0.960 4.338 1.00 0.00 O ATOM 643 CB PRO A 49 -24.610 -2.344 6.736 1.00 0.00 C ATOM 644 CG PRO A 49 -23.526 -3.037 7.545 1.00 0.00 C ATOM 645 CD PRO A 49 -22.611 -3.764 6.573 1.00 0.00 C ATOM 0 HA PRO A 49 -24.965 -2.567 4.616 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -24.760 -1.321 7.080 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -25.565 -2.859 6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -22.962 -2.310 8.129 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -23.968 -3.740 8.252 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -21.574 -3.453 6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -22.642 -4.842 6.731 1.00 0.00 H new ATOM 653 N ASP A 50 -24.374 0.011 4.997 1.00 0.00 N ATOM 654 CA ASP A 50 -23.967 1.349 4.600 1.00 0.00 C ATOM 655 C ASP A 50 -23.257 2.030 5.772 1.00 0.00 C ATOM 656 O ASP A 50 -22.286 2.759 5.575 1.00 0.00 O ATOM 657 CB ASP A 50 -25.178 2.203 4.220 1.00 0.00 C ATOM 658 CG ASP A 50 -25.056 2.941 2.886 1.00 0.00 C ATOM 659 OD1 ASP A 50 -23.957 3.343 2.476 1.00 0.00 O ATOM 660 OD2 ASP A 50 -26.166 3.100 2.247 1.00 0.00 O ATOM 0 H ASP A 50 -25.308 -0.048 5.403 1.00 0.00 H new ATOM 0 HA ASP A 50 -23.305 1.259 3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -26.059 1.562 4.184 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -25.349 2.935 5.009 1.00 0.00 H new ATOM 666 N LEU A 51 -23.770 1.768 6.966 1.00 0.00 N ATOM 667 CA LEU A 51 -23.197 2.347 8.169 1.00 0.00 C ATOM 668 C LEU A 51 -21.731 1.923 8.286 1.00 0.00 C ATOM 669 O LEU A 51 -20.850 2.763 8.458 1.00 0.00 O ATOM 670 CB LEU A 51 -24.041 1.984 9.392 1.00 0.00 C ATOM 671 CG LEU A 51 -23.502 0.851 10.267 1.00 0.00 C ATOM 672 CD1 LEU A 51 -23.794 1.114 11.746 1.00 0.00 C ATOM 673 CD2 LEU A 51 -24.046 -0.503 9.808 1.00 0.00 C ATOM 0 H LEU A 51 -24.576 1.163 7.125 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.211 3.435 8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -24.149 2.874 10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -25.039 1.710 9.051 1.00 0.00 H new ATOM 0 HG LEU A 51 -22.418 0.818 10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -23.400 0.294 12.346 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -23.319 2.047 12.050 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -24.871 1.189 11.896 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -23.647 -1.291 10.447 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -25.134 -0.499 9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -23.745 -0.685 8.776 1.00 0.00 H new ATOM 685 N ILE A 52 -21.516 0.619 8.188 1.00 0.00 N ATOM 686 CA ILE A 52 -20.172 0.073 8.280 1.00 0.00 C ATOM 687 C ILE A 52 -19.335 0.591 7.109 1.00 0.00 C ATOM 688 O ILE A 52 -18.139 0.839 7.259 1.00 0.00 O ATOM 689 CB ILE A 52 -20.219 -1.453 8.375 1.00 0.00 C ATOM 690 CG1 ILE A 52 -20.836 -1.901 9.702 1.00 0.00 C ATOM 691 CG2 ILE A 52 -18.832 -2.059 8.155 1.00 0.00 C ATOM 692 CD1 ILE A 52 -19.753 -2.155 10.752 1.00 0.00 C ATOM 0 H ILE A 52 -22.250 -0.075 8.046 1.00 0.00 H new ATOM 0 HA ILE A 52 -19.685 0.411 9.195 1.00 0.00 H new ATOM 0 HB ILE A 52 -20.863 -1.825 7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -21.525 -1.138 10.063 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -21.418 -2.809 9.548 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.894 -3.145 8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.466 -1.782 7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.146 -1.683 8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -20.218 -2.472 11.685 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.080 -2.936 10.399 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.188 -1.238 10.921 1.00 0.00 H new ATOM 704 N LEU A 53 -19.995 0.738 5.970 1.00 0.00 N ATOM 705 CA LEU A 53 -19.326 1.222 4.774 1.00 0.00 C ATOM 706 C LEU A 53 -18.828 2.648 5.016 1.00 0.00 C ATOM 707 O LEU A 53 -17.646 2.937 4.830 1.00 0.00 O ATOM 708 CB LEU A 53 -20.243 1.089 3.557 1.00 0.00 C ATOM 709 CG LEU A 53 -19.979 -0.113 2.647 1.00 0.00 C ATOM 710 CD1 LEU A 53 -21.146 -0.338 1.683 1.00 0.00 C ATOM 711 CD2 LEU A 53 -18.647 0.041 1.908 1.00 0.00 C ATOM 0 H LEU A 53 -20.986 0.530 5.850 1.00 0.00 H new ATOM 0 HA LEU A 53 -18.451 0.611 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -21.274 1.035 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -20.156 1.997 2.961 1.00 0.00 H new ATOM 0 HG LEU A 53 -19.901 -1.003 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -20.933 -1.198 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -22.057 -0.524 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -21.281 0.547 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -18.483 -0.826 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -18.672 0.943 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -17.836 0.116 2.632 1.00 0.00 H new ATOM 723 N GLY A 54 -19.753 3.503 5.426 1.00 0.00 N ATOM 724 CA GLY A 54 -19.422 4.892 5.695 1.00 0.00 C ATOM 725 C GLY A 54 -18.069 5.007 6.398 1.00 0.00 C ATOM 726 O GLY A 54 -17.266 5.879 6.069 1.00 0.00 O ATOM 0 H GLY A 54 -20.732 3.261 5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -19.399 5.452 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -20.198 5.341 6.316 1.00 0.00 H new ATOM 730 N LYS A 55 -17.857 4.115 7.355 1.00 0.00 N ATOM 731 CA LYS A 55 -16.614 4.106 8.108 1.00 0.00 C ATOM 732 C LYS A 55 -15.443 3.884 7.148 1.00 0.00 C ATOM 733 O LYS A 55 -14.434 4.584 7.223 1.00 0.00 O ATOM 734 CB LYS A 55 -16.683 3.081 9.242 1.00 0.00 C ATOM 735 CG LYS A 55 -17.818 3.412 10.212 1.00 0.00 C ATOM 736 CD LYS A 55 -17.273 3.724 11.607 1.00 0.00 C ATOM 737 CE LYS A 55 -17.948 2.851 12.667 1.00 0.00 C ATOM 738 NZ LYS A 55 -17.716 3.406 14.020 1.00 0.00 N ATOM 0 H LYS A 55 -18.525 3.394 7.626 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.453 5.070 8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.833 2.084 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.735 3.063 9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -18.383 4.266 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.510 2.572 10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.196 3.558 11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -17.438 4.776 11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.018 2.792 12.470 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.557 1.835 12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.181 2.802 14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.694 3.440 14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.110 4.367 14.073 1.00 0.00 H new ATOM 749 N ILE A 56 -15.617 2.908 6.269 1.00 0.00 N ATOM 750 CA ILE A 56 -14.587 2.586 5.296 1.00 0.00 C ATOM 751 C ILE A 56 -14.201 3.852 4.530 1.00 0.00 C ATOM 752 O ILE A 56 -13.035 4.244 4.518 1.00 0.00 O ATOM 753 CB ILE A 56 -15.042 1.436 4.395 1.00 0.00 C ATOM 754 CG1 ILE A 56 -15.074 0.115 5.166 1.00 0.00 C ATOM 755 CG2 ILE A 56 -14.173 1.347 3.139 1.00 0.00 C ATOM 756 CD1 ILE A 56 -15.395 -1.056 4.234 1.00 0.00 C ATOM 0 H ILE A 56 -16.455 2.330 6.210 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.687 2.230 5.798 1.00 0.00 H new ATOM 0 HB ILE A 56 -16.061 1.641 4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -14.111 -0.052 5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -15.821 0.170 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -14.517 0.522 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.246 2.279 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.135 1.176 3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -15.412 -1.983 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -16.370 -0.897 3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -14.633 -1.123 3.458 1.00 0.00 H new ATOM 768 N TRP A 57 -15.202 4.457 3.908 1.00 0.00 N ATOM 769 CA TRP A 57 -14.982 5.672 3.141 1.00 0.00 C ATOM 770 C TRP A 57 -14.312 6.696 4.059 1.00 0.00 C ATOM 771 O TRP A 57 -13.244 7.216 3.740 1.00 0.00 O ATOM 772 CB TRP A 57 -16.291 6.180 2.532 1.00 0.00 C ATOM 773 CG TRP A 57 -16.099 7.177 1.388 1.00 0.00 C ATOM 774 CD1 TRP A 57 -15.774 8.475 1.470 1.00 0.00 C ATOM 775 CD2 TRP A 57 -16.233 6.903 -0.023 1.00 0.00 C ATOM 776 NE1 TRP A 57 -15.690 9.055 0.221 1.00 0.00 N ATOM 777 CE2 TRP A 57 -15.977 8.069 -0.716 1.00 0.00 C ATOM 778 CE3 TRP A 57 -16.559 5.710 -0.691 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -16.022 8.156 -2.112 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -16.599 5.813 -2.086 1.00 0.00 C ATOM 781 CH2 TRP A 57 -16.345 6.979 -2.799 1.00 0.00 C ATOM 0 H TRP A 57 -16.168 4.129 3.919 1.00 0.00 H new ATOM 0 HA TRP A 57 -14.323 5.480 2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.864 5.328 2.166 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -16.885 6.651 3.315 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -15.600 9.001 2.397 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -15.460 10.028 0.022 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -16.763 4.787 -0.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -15.819 9.081 -2.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -16.844 4.924 -2.648 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.396 6.977 -3.878 1.00 0.00 H new ATOM 792 N ASP A 58 -14.967 6.956 5.181 1.00 0.00 N ATOM 793 CA ASP A 58 -14.448 7.909 6.147 1.00 0.00 C ATOM 794 C ASP A 58 -12.971 7.609 6.410 1.00 0.00 C ATOM 795 O ASP A 58 -12.193 8.515 6.704 1.00 0.00 O ATOM 796 CB ASP A 58 -15.196 7.806 7.478 1.00 0.00 C ATOM 797 CG ASP A 58 -15.442 9.139 8.186 1.00 0.00 C ATOM 798 OD1 ASP A 58 -16.166 10.008 7.677 1.00 0.00 O ATOM 799 OD2 ASP A 58 -14.848 9.271 9.323 1.00 0.00 O ATOM 0 H ASP A 58 -15.853 6.523 5.443 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.578 8.910 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -16.157 7.323 7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.631 7.156 8.146 1.00 0.00 H new ATOM 805 N LEU A 59 -12.629 6.334 6.294 1.00 0.00 N ATOM 806 CA LEU A 59 -11.259 5.903 6.515 1.00 0.00 C ATOM 807 C LEU A 59 -10.479 6.007 5.204 1.00 0.00 C ATOM 808 O LEU A 59 -9.267 6.216 5.214 1.00 0.00 O ATOM 809 CB LEU A 59 -11.231 4.506 7.139 1.00 0.00 C ATOM 810 CG LEU A 59 -9.856 3.841 7.231 1.00 0.00 C ATOM 811 CD1 LEU A 59 -9.486 3.163 5.910 1.00 0.00 C ATOM 812 CD2 LEU A 59 -8.791 4.843 7.680 1.00 0.00 C ATOM 0 H LEU A 59 -13.277 5.585 6.050 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.765 6.557 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.650 4.570 8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.888 3.858 6.560 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.904 3.061 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.504 2.698 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.228 2.401 5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.462 3.907 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.823 4.344 7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.736 5.661 6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.054 5.238 8.661 1.00 0.00 H new ATOM 824 N ALA A 60 -11.205 5.856 4.106 1.00 0.00 N ATOM 825 CA ALA A 60 -10.596 5.931 2.789 1.00 0.00 C ATOM 826 C ALA A 60 -10.313 7.395 2.445 1.00 0.00 C ATOM 827 O ALA A 60 -9.159 7.783 2.269 1.00 0.00 O ATOM 828 CB ALA A 60 -11.510 5.257 1.764 1.00 0.00 C ATOM 0 H ALA A 60 -12.210 5.682 4.102 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.644 5.400 2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.053 5.313 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.655 4.212 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.474 5.765 1.747 1.00 0.00 H new ATOM 834 N ASP A 61 -11.386 8.167 2.358 1.00 0.00 N ATOM 835 CA ASP A 61 -11.267 9.579 2.038 1.00 0.00 C ATOM 836 C ASP A 61 -10.033 10.154 2.735 1.00 0.00 C ATOM 837 O ASP A 61 -9.883 10.023 3.949 1.00 0.00 O ATOM 838 CB ASP A 61 -12.491 10.359 2.525 1.00 0.00 C ATOM 839 CG ASP A 61 -12.327 11.880 2.532 1.00 0.00 C ATOM 840 OD1 ASP A 61 -12.754 12.573 1.596 1.00 0.00 O ATOM 841 OD2 ASP A 61 -11.724 12.358 3.567 1.00 0.00 O ATOM 0 H ASP A 61 -12.342 7.841 2.504 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.186 9.673 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.341 10.103 1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.734 10.030 3.535 1.00 0.00 H new ATOM 847 N THR A 62 -9.179 10.779 1.937 1.00 0.00 N ATOM 848 CA THR A 62 -7.962 11.374 2.462 1.00 0.00 C ATOM 849 C THR A 62 -7.378 12.368 1.456 1.00 0.00 C ATOM 850 O THR A 62 -6.942 13.455 1.834 1.00 0.00 O ATOM 851 CB THR A 62 -7.000 10.241 2.825 1.00 0.00 C ATOM 852 OG1 THR A 62 -7.480 9.766 4.080 1.00 0.00 O ATOM 853 CG2 THR A 62 -5.589 10.747 3.133 1.00 0.00 C ATOM 0 H THR A 62 -9.306 10.886 0.931 1.00 0.00 H new ATOM 0 HA THR A 62 -8.161 11.952 3.364 1.00 0.00 H new ATOM 0 HB THR A 62 -6.958 9.524 2.005 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.268 10.285 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.947 9.903 3.384 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.188 11.261 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.626 11.438 3.975 1.00 0.00 H new ATOM 861 N ASP A 63 -7.388 11.960 0.196 1.00 0.00 N ATOM 862 CA ASP A 63 -6.864 12.802 -0.867 1.00 0.00 C ATOM 863 C ASP A 63 -7.464 14.204 -0.744 1.00 0.00 C ATOM 864 O ASP A 63 -6.735 15.193 -0.702 1.00 0.00 O ATOM 865 CB ASP A 63 -7.237 12.247 -2.243 1.00 0.00 C ATOM 866 CG ASP A 63 -6.538 12.923 -3.424 1.00 0.00 C ATOM 867 OD1 ASP A 63 -5.813 13.915 -3.255 1.00 0.00 O ATOM 868 OD2 ASP A 63 -6.766 12.385 -4.574 1.00 0.00 O ATOM 0 H ASP A 63 -7.750 11.058 -0.113 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.779 12.830 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.005 11.182 -2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.315 12.341 -2.376 1.00 0.00 H new ATOM 874 N GLY A 64 -8.788 14.243 -0.691 1.00 0.00 N ATOM 875 CA GLY A 64 -9.494 15.508 -0.574 1.00 0.00 C ATOM 876 C GLY A 64 -10.225 15.850 -1.874 1.00 0.00 C ATOM 877 O GLY A 64 -9.894 16.832 -2.536 1.00 0.00 O ATOM 0 H GLY A 64 -9.389 13.420 -0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.209 15.455 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.788 16.302 -0.330 1.00 0.00 H new ATOM 881 N LYS A 65 -11.206 15.021 -2.199 1.00 0.00 N ATOM 882 CA LYS A 65 -11.987 15.223 -3.408 1.00 0.00 C ATOM 883 C LYS A 65 -13.013 14.096 -3.542 1.00 0.00 C ATOM 884 O LYS A 65 -13.005 13.148 -2.758 1.00 0.00 O ATOM 885 CB LYS A 65 -11.067 15.365 -4.622 1.00 0.00 C ATOM 886 CG LYS A 65 -11.174 16.764 -5.231 1.00 0.00 C ATOM 887 CD LYS A 65 -10.099 16.982 -6.298 1.00 0.00 C ATOM 888 CE LYS A 65 -10.654 17.780 -7.480 1.00 0.00 C ATOM 889 NZ LYS A 65 -9.560 18.188 -8.389 1.00 0.00 N ATOM 0 H LYS A 65 -11.478 14.208 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.546 16.157 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.036 15.171 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.329 14.618 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.162 16.898 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.071 17.514 -4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.252 17.512 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.727 16.019 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.381 17.177 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.180 18.662 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.954 18.728 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.881 18.781 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.075 17.342 -8.751 1.00 0.00 H new ATOM 900 N GLY A 66 -13.872 14.237 -4.541 1.00 0.00 N ATOM 901 CA GLY A 66 -14.902 13.242 -4.787 1.00 0.00 C ATOM 902 C GLY A 66 -14.414 12.180 -5.774 1.00 0.00 C ATOM 903 O GLY A 66 -15.209 11.599 -6.511 1.00 0.00 O ATOM 0 H GLY A 66 -13.876 15.025 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.186 12.767 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.795 13.727 -5.182 1.00 0.00 H new ATOM 907 N VAL A 67 -13.108 11.958 -5.756 1.00 0.00 N ATOM 908 CA VAL A 67 -12.504 10.975 -6.640 1.00 0.00 C ATOM 909 C VAL A 67 -11.538 10.100 -5.839 1.00 0.00 C ATOM 910 O VAL A 67 -10.870 10.581 -4.925 1.00 0.00 O ATOM 911 CB VAL A 67 -11.833 11.677 -7.822 1.00 0.00 C ATOM 912 CG1 VAL A 67 -11.200 10.662 -8.776 1.00 0.00 C ATOM 913 CG2 VAL A 67 -12.825 12.579 -8.560 1.00 0.00 C ATOM 0 H VAL A 67 -12.451 12.442 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.267 10.319 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.036 12.308 -7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.730 11.188 -9.607 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.448 10.081 -8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.971 9.993 -9.159 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.322 13.066 -9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -13.653 11.978 -8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.207 13.336 -7.875 1.00 0.00 H new ATOM 923 N LEU A 68 -11.496 8.828 -6.210 1.00 0.00 N ATOM 924 CA LEU A 68 -10.623 7.881 -5.537 1.00 0.00 C ATOM 925 C LEU A 68 -9.355 7.682 -6.369 1.00 0.00 C ATOM 926 O LEU A 68 -9.268 8.163 -7.498 1.00 0.00 O ATOM 927 CB LEU A 68 -11.373 6.581 -5.238 1.00 0.00 C ATOM 928 CG LEU A 68 -12.772 6.737 -4.638 1.00 0.00 C ATOM 929 CD1 LEU A 68 -13.458 5.378 -4.486 1.00 0.00 C ATOM 930 CD2 LEU A 68 -12.720 7.504 -3.315 1.00 0.00 C ATOM 0 H LEU A 68 -12.052 8.432 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.311 8.272 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.458 6.012 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.770 5.986 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.375 7.327 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -14.450 5.517 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.548 4.905 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.865 4.743 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.728 7.600 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.094 6.963 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.301 8.496 -3.486 1.00 0.00 H new ATOM 942 N SER A 69 -8.404 6.972 -5.780 1.00 0.00 N ATOM 943 CA SER A 69 -7.145 6.703 -6.454 1.00 0.00 C ATOM 944 C SER A 69 -6.992 5.200 -6.697 1.00 0.00 C ATOM 945 O SER A 69 -7.984 4.485 -6.828 1.00 0.00 O ATOM 946 CB SER A 69 -5.962 7.232 -5.641 1.00 0.00 C ATOM 947 OG SER A 69 -6.289 8.430 -4.940 1.00 0.00 O ATOM 0 H SER A 69 -8.480 6.575 -4.844 1.00 0.00 H new ATOM 0 HA SER A 69 -7.153 7.221 -7.413 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.642 6.471 -4.929 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.120 7.420 -6.307 1.00 0.00 H new ATOM 0 HG SER A 69 -5.509 8.735 -4.432 1.00 0.00 H new ATOM 953 N LYS A 70 -5.742 4.766 -6.749 1.00 0.00 N ATOM 954 CA LYS A 70 -5.446 3.361 -6.974 1.00 0.00 C ATOM 955 C LYS A 70 -5.433 2.626 -5.632 1.00 0.00 C ATOM 956 O LYS A 70 -6.411 1.974 -5.268 1.00 0.00 O ATOM 957 CB LYS A 70 -4.149 3.208 -7.771 1.00 0.00 C ATOM 958 CG LYS A 70 -4.391 3.447 -9.263 1.00 0.00 C ATOM 959 CD LYS A 70 -3.144 4.025 -9.935 1.00 0.00 C ATOM 960 CE LYS A 70 -3.521 4.880 -11.147 1.00 0.00 C ATOM 961 NZ LYS A 70 -2.647 4.562 -12.297 1.00 0.00 N ATOM 0 H LYS A 70 -4.922 5.362 -6.639 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.224 2.900 -7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.406 3.914 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.741 2.208 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.667 2.509 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.229 4.131 -9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.587 4.629 -9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.486 3.214 -10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.563 4.703 -11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.432 5.937 -10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.916 5.151 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.657 4.753 -12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.753 3.558 -12.546 1.00 0.00 H new ATOM 972 N GLN A 71 -4.316 2.756 -4.933 1.00 0.00 N ATOM 973 CA GLN A 71 -4.163 2.112 -3.639 1.00 0.00 C ATOM 974 C GLN A 71 -5.354 2.443 -2.737 1.00 0.00 C ATOM 975 O GLN A 71 -5.703 1.663 -1.853 1.00 0.00 O ATOM 976 CB GLN A 71 -2.845 2.517 -2.977 1.00 0.00 C ATOM 977 CG GLN A 71 -1.650 2.123 -3.847 1.00 0.00 C ATOM 978 CD GLN A 71 -0.404 2.923 -3.463 1.00 0.00 C ATOM 979 OE1 GLN A 71 0.156 3.667 -4.252 1.00 0.00 O ATOM 980 NE2 GLN A 71 -0.002 2.730 -2.210 1.00 0.00 N ATOM 0 H GLN A 71 -3.507 3.298 -5.238 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.137 1.033 -3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.836 3.593 -2.806 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.762 2.039 -2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.451 1.057 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.888 2.295 -4.897 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.517 2.093 -1.602 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.821 3.219 -1.857 1.00 0.00 H new ATOM 989 N GLU A 72 -5.945 3.601 -2.993 1.00 0.00 N ATOM 990 CA GLU A 72 -7.090 4.045 -2.216 1.00 0.00 C ATOM 991 C GLU A 72 -8.244 3.049 -2.354 1.00 0.00 C ATOM 992 O GLU A 72 -8.516 2.277 -1.436 1.00 0.00 O ATOM 993 CB GLU A 72 -7.525 5.450 -2.635 1.00 0.00 C ATOM 994 CG GLU A 72 -6.882 6.513 -1.741 1.00 0.00 C ATOM 995 CD GLU A 72 -7.947 7.365 -1.049 1.00 0.00 C ATOM 996 OE1 GLU A 72 -9.047 6.870 -0.761 1.00 0.00 O ATOM 997 OE2 GLU A 72 -7.599 8.583 -0.808 1.00 0.00 O ATOM 0 H GLU A 72 -5.652 4.245 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.798 4.089 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.246 5.626 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.611 5.530 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.253 6.031 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.232 7.152 -2.339 1.00 0.00 H new ATOM 1005 N PHE A 73 -8.891 3.099 -3.509 1.00 0.00 N ATOM 1006 CA PHE A 73 -10.009 2.211 -3.779 1.00 0.00 C ATOM 1007 C PHE A 73 -9.639 0.757 -3.481 1.00 0.00 C ATOM 1008 O PHE A 73 -10.509 -0.059 -3.180 1.00 0.00 O ATOM 1009 CB PHE A 73 -10.338 2.346 -5.268 1.00 0.00 C ATOM 1010 CG PHE A 73 -11.078 1.142 -5.853 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -12.430 1.050 -5.731 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -10.386 0.164 -6.495 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -13.117 -0.067 -6.274 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -11.073 -0.953 -7.038 1.00 0.00 C ATOM 1015 CZ PHE A 73 -12.424 -1.045 -6.916 1.00 0.00 C ATOM 0 H PHE A 73 -8.662 3.740 -4.268 1.00 0.00 H new ATOM 0 HA PHE A 73 -10.857 2.479 -3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.945 3.239 -5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.411 2.494 -5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -12.980 1.827 -5.221 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.313 0.237 -6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -14.190 -0.140 -6.177 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.523 -1.730 -7.548 1.00 0.00 H new ATOM 0 HZ PHE A 73 -12.947 -1.895 -7.329 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.347 0.477 -3.574 1.00 0.00 N ATOM 1026 CA PHE A 74 -7.852 -0.864 -3.318 1.00 0.00 C ATOM 1027 C PHE A 74 -7.812 -1.156 -1.817 1.00 0.00 C ATOM 1028 O PHE A 74 -7.938 -2.307 -1.401 1.00 0.00 O ATOM 1029 CB PHE A 74 -6.429 -0.930 -3.877 1.00 0.00 C ATOM 1030 CG PHE A 74 -6.299 -1.763 -5.153 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -6.847 -1.317 -6.315 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -5.636 -2.950 -5.125 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.727 -2.091 -7.500 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -5.515 -3.724 -6.310 1.00 0.00 C ATOM 1035 CZ PHE A 74 -6.063 -3.278 -7.472 1.00 0.00 C ATOM 0 H PHE A 74 -7.628 1.157 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.507 -1.598 -3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.082 0.083 -4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.770 -1.346 -3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.373 -0.374 -6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.201 -3.304 -4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.163 -1.737 -8.423 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.988 -4.666 -6.288 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.971 -3.866 -8.373 1.00 0.00 H new ATOM 1045 N VAL A 75 -7.635 -0.094 -1.044 1.00 0.00 N ATOM 1046 CA VAL A 75 -7.576 -0.222 0.402 1.00 0.00 C ATOM 1047 C VAL A 75 -8.986 -0.466 0.945 1.00 0.00 C ATOM 1048 O VAL A 75 -9.222 -1.444 1.653 1.00 0.00 O ATOM 1049 CB VAL A 75 -6.906 1.012 1.010 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -7.522 1.358 2.367 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -5.394 0.811 1.129 1.00 0.00 C ATOM 0 H VAL A 75 -7.531 0.859 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.965 -1.079 0.685 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.081 1.853 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.028 2.239 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.585 1.564 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.393 0.518 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.942 1.702 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.190 -0.048 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.971 0.635 0.140 1.00 0.00 H new ATOM 1061 N ALA A 76 -9.886 0.441 0.594 1.00 0.00 N ATOM 1062 CA ALA A 76 -11.266 0.337 1.037 1.00 0.00 C ATOM 1063 C ALA A 76 -11.796 -1.062 0.716 1.00 0.00 C ATOM 1064 O ALA A 76 -12.318 -1.748 1.594 1.00 0.00 O ATOM 1065 CB ALA A 76 -12.098 1.440 0.381 1.00 0.00 C ATOM 0 H ALA A 76 -9.686 1.251 0.008 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.334 0.476 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.133 1.362 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.699 2.414 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.056 1.332 -0.703 1.00 0.00 H new ATOM 1071 N LEU A 77 -11.644 -1.443 -0.543 1.00 0.00 N ATOM 1072 CA LEU A 77 -12.101 -2.748 -0.991 1.00 0.00 C ATOM 1073 C LEU A 77 -11.642 -3.814 0.006 1.00 0.00 C ATOM 1074 O LEU A 77 -12.463 -4.424 0.689 1.00 0.00 O ATOM 1075 CB LEU A 77 -11.645 -3.012 -2.427 1.00 0.00 C ATOM 1076 CG LEU A 77 -12.741 -2.989 -3.494 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -12.169 -3.315 -4.875 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -13.893 -3.922 -3.116 1.00 0.00 C ATOM 0 H LEU A 77 -11.211 -0.871 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.190 -2.782 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.893 -2.268 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.155 -3.985 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.148 -1.979 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.969 -3.292 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.410 -2.578 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.720 -4.308 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.659 -3.887 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.519 -4.941 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.323 -3.603 -2.167 1.00 0.00 H new ATOM 1090 N ARG A 78 -10.332 -4.005 0.058 1.00 0.00 N ATOM 1091 CA ARG A 78 -9.754 -4.987 0.960 1.00 0.00 C ATOM 1092 C ARG A 78 -10.255 -4.756 2.387 1.00 0.00 C ATOM 1093 O ARG A 78 -10.360 -5.697 3.171 1.00 0.00 O ATOM 1094 CB ARG A 78 -8.226 -4.915 0.945 1.00 0.00 C ATOM 1095 CG ARG A 78 -7.655 -5.645 -0.272 1.00 0.00 C ATOM 1096 CD ARG A 78 -8.040 -7.126 -0.255 1.00 0.00 C ATOM 1097 NE ARG A 78 -9.215 -7.354 -1.126 1.00 0.00 N ATOM 1098 CZ ARG A 78 -9.477 -8.520 -1.753 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -8.649 -9.576 -1.611 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -10.556 -8.612 -2.508 1.00 0.00 N ATOM 0 H ARG A 78 -9.654 -3.496 -0.510 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.063 -5.975 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.908 -3.873 0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.828 -5.357 1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.025 -5.180 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.569 -5.548 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.201 -7.732 -0.596 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.266 -7.440 0.764 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.867 -6.582 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.817 -9.497 -1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.855 -10.453 -2.089 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.177 -7.809 -2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.769 -9.486 -2.989 1.00 0.00 H new ATOM 1113 N LEU A 79 -10.551 -3.498 2.680 1.00 0.00 N ATOM 1114 CA LEU A 79 -11.038 -3.132 3.999 1.00 0.00 C ATOM 1115 C LEU A 79 -12.315 -3.918 4.303 1.00 0.00 C ATOM 1116 O LEU A 79 -12.493 -4.414 5.414 1.00 0.00 O ATOM 1117 CB LEU A 79 -11.210 -1.615 4.104 1.00 0.00 C ATOM 1118 CG LEU A 79 -10.870 -0.994 5.461 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -11.002 0.529 5.414 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -11.720 -1.610 6.574 1.00 0.00 C ATOM 0 H LEU A 79 -10.463 -2.720 2.027 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.308 -3.401 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.585 -1.145 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.244 -1.369 3.863 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.829 -1.220 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.755 0.946 6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.320 0.930 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.026 0.798 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.459 -1.151 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.775 -1.436 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.532 -2.683 6.624 1.00 0.00 H new ATOM 1132 N VAL A 80 -13.170 -4.009 3.295 1.00 0.00 N ATOM 1133 CA VAL A 80 -14.425 -4.726 3.440 1.00 0.00 C ATOM 1134 C VAL A 80 -14.142 -6.142 3.948 1.00 0.00 C ATOM 1135 O VAL A 80 -14.862 -6.654 4.804 1.00 0.00 O ATOM 1136 CB VAL A 80 -15.195 -4.708 2.118 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -16.439 -5.595 2.195 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -15.565 -3.278 1.719 1.00 0.00 C ATOM 0 H VAL A 80 -13.018 -3.598 2.374 1.00 0.00 H new ATOM 0 HA VAL A 80 -15.061 -4.236 4.177 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.542 -5.114 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.968 -5.564 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.141 -6.621 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.096 -5.233 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.111 -3.293 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -16.190 -2.834 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.657 -2.686 1.603 1.00 0.00 H new ATOM 1148 N ALA A 81 -13.092 -6.734 3.399 1.00 0.00 N ATOM 1149 CA ALA A 81 -12.705 -8.080 3.785 1.00 0.00 C ATOM 1150 C ALA A 81 -12.434 -8.116 5.291 1.00 0.00 C ATOM 1151 O ALA A 81 -12.516 -9.173 5.915 1.00 0.00 O ATOM 1152 CB ALA A 81 -11.491 -8.518 2.964 1.00 0.00 C ATOM 0 H ALA A 81 -12.497 -6.306 2.690 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.510 -8.785 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.201 -9.528 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.744 -8.503 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.662 -7.835 3.148 1.00 0.00 H new ATOM 1158 N CYS A 82 -12.117 -6.948 5.830 1.00 0.00 N ATOM 1159 CA CYS A 82 -11.833 -6.833 7.251 1.00 0.00 C ATOM 1160 C CYS A 82 -13.153 -6.949 8.015 1.00 0.00 C ATOM 1161 O CYS A 82 -13.344 -7.881 8.794 1.00 0.00 O ATOM 1162 CB CYS A 82 -11.098 -5.531 7.577 1.00 0.00 C ATOM 1163 SG CYS A 82 -9.994 -5.780 9.015 1.00 0.00 S ATOM 0 H CYS A 82 -12.050 -6.074 5.309 1.00 0.00 H new ATOM 0 HA CYS A 82 -11.165 -7.638 7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.517 -5.206 6.714 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -11.818 -4.741 7.793 1.00 0.00 H new ATOM 0 HG CYS A 82 -10.041 -4.733 9.785 1.00 0.00 H new ATOM 1169 N ALA A 83 -14.031 -5.988 7.766 1.00 0.00 N ATOM 1170 CA ALA A 83 -15.328 -5.971 8.421 1.00 0.00 C ATOM 1171 C ALA A 83 -16.005 -7.331 8.237 1.00 0.00 C ATOM 1172 O ALA A 83 -16.891 -7.696 9.009 1.00 0.00 O ATOM 1173 CB ALA A 83 -16.168 -4.821 7.861 1.00 0.00 C ATOM 0 H ALA A 83 -13.869 -5.216 7.120 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.215 -5.801 9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.141 -4.808 8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.657 -3.875 8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -16.305 -4.959 6.788 1.00 0.00 H new ATOM 1179 N GLN A 84 -15.562 -8.044 7.212 1.00 0.00 N ATOM 1180 CA GLN A 84 -16.114 -9.355 6.918 1.00 0.00 C ATOM 1181 C GLN A 84 -15.712 -10.356 8.003 1.00 0.00 C ATOM 1182 O GLN A 84 -16.315 -11.421 8.124 1.00 0.00 O ATOM 1183 CB GLN A 84 -15.672 -9.838 5.535 1.00 0.00 C ATOM 1184 CG GLN A 84 -16.293 -8.981 4.430 1.00 0.00 C ATOM 1185 CD GLN A 84 -17.253 -9.806 3.571 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -17.308 -11.022 3.649 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -18.004 -9.078 2.748 1.00 0.00 N ATOM 0 H GLN A 84 -14.827 -7.738 6.575 1.00 0.00 H new ATOM 0 HA GLN A 84 -17.201 -9.276 6.909 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.585 -9.799 5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.963 -10.880 5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.827 -8.140 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.505 -8.563 3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -17.907 -8.063 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -18.676 -9.535 2.132 1.00 0.00 H new ATOM 1196 N ASN A 85 -14.697 -9.977 8.765 1.00 0.00 N ATOM 1197 CA ASN A 85 -14.207 -10.828 9.836 1.00 0.00 C ATOM 1198 C ASN A 85 -14.755 -10.324 11.173 1.00 0.00 C ATOM 1199 O ASN A 85 -14.705 -11.035 12.176 1.00 0.00 O ATOM 1200 CB ASN A 85 -12.679 -10.798 9.910 1.00 0.00 C ATOM 1201 CG ASN A 85 -12.147 -11.966 10.742 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -11.691 -12.973 10.225 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -12.230 -11.777 12.055 1.00 0.00 N ATOM 0 H ASN A 85 -14.200 -9.092 8.662 1.00 0.00 H new ATOM 0 HA ASN A 85 -14.538 -11.847 9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -12.262 -10.844 8.904 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -12.351 -9.856 10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.901 -12.499 12.696 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.623 -10.910 12.422 1.00 0.00 H new ATOM 1210 N GLY A 86 -15.265 -9.102 11.144 1.00 0.00 N ATOM 1211 CA GLY A 86 -15.821 -8.494 12.341 1.00 0.00 C ATOM 1212 C GLY A 86 -14.828 -7.515 12.971 1.00 0.00 C ATOM 1213 O GLY A 86 -15.074 -6.987 14.055 1.00 0.00 O ATOM 0 H GLY A 86 -15.305 -8.516 10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.744 -7.971 12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.079 -9.270 13.061 1.00 0.00 H new ATOM 1217 N LEU A 87 -13.727 -7.303 12.266 1.00 0.00 N ATOM 1218 CA LEU A 87 -12.696 -6.397 12.743 1.00 0.00 C ATOM 1219 C LEU A 87 -13.137 -4.954 12.494 1.00 0.00 C ATOM 1220 O LEU A 87 -14.092 -4.710 11.758 1.00 0.00 O ATOM 1221 CB LEU A 87 -11.345 -6.745 12.114 1.00 0.00 C ATOM 1222 CG LEU A 87 -10.840 -8.169 12.353 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -9.927 -8.626 11.213 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -10.157 -8.288 13.717 1.00 0.00 C ATOM 0 H LEU A 87 -13.526 -7.743 11.368 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.559 -6.507 13.819 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.415 -6.581 11.039 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.599 -6.048 12.495 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.700 -8.838 12.365 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.582 -9.641 11.408 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.479 -8.604 10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.068 -7.958 11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.808 -9.310 13.861 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.309 -7.605 13.760 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.868 -8.033 14.503 1.00 0.00 H new ATOM 1236 N GLU A 88 -12.420 -4.033 13.122 1.00 0.00 N ATOM 1237 CA GLU A 88 -12.725 -2.620 12.978 1.00 0.00 C ATOM 1238 C GLU A 88 -12.816 -2.245 11.498 1.00 0.00 C ATOM 1239 O GLU A 88 -12.390 -3.008 10.633 1.00 0.00 O ATOM 1240 CB GLU A 88 -11.687 -1.758 13.699 1.00 0.00 C ATOM 1241 CG GLU A 88 -12.352 -0.581 14.414 1.00 0.00 C ATOM 1242 CD GLU A 88 -12.029 -0.594 15.910 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -10.872 -0.823 16.292 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -13.031 -0.354 16.686 1.00 0.00 O ATOM 0 H GLU A 88 -11.629 -4.238 13.732 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.693 -2.429 13.442 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.143 -2.366 14.421 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.956 -1.386 12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.012 0.356 13.973 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.432 -0.627 14.271 1.00 0.00 H new ATOM 1252 N VAL A 89 -13.374 -1.068 11.252 1.00 0.00 N ATOM 1253 CA VAL A 89 -13.526 -0.582 9.891 1.00 0.00 C ATOM 1254 C VAL A 89 -12.409 0.416 9.582 1.00 0.00 C ATOM 1255 O VAL A 89 -12.281 0.880 8.450 1.00 0.00 O ATOM 1256 CB VAL A 89 -14.925 0.007 9.699 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -15.162 0.393 8.238 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -16.001 -0.962 10.192 1.00 0.00 C ATOM 0 H VAL A 89 -13.726 -0.437 11.972 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.433 -1.403 9.180 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.991 0.914 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.164 0.809 8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.425 1.137 7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -15.066 -0.491 7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -16.986 -0.518 10.044 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -15.935 -1.895 9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.850 -1.164 11.252 1.00 0.00 H new ATOM 1268 N SER A 90 -11.628 0.718 10.609 1.00 0.00 N ATOM 1269 CA SER A 90 -10.526 1.653 10.462 1.00 0.00 C ATOM 1270 C SER A 90 -9.230 0.893 10.175 1.00 0.00 C ATOM 1271 O SER A 90 -9.080 -0.260 10.577 1.00 0.00 O ATOM 1272 CB SER A 90 -10.368 2.519 11.714 1.00 0.00 C ATOM 1273 OG SER A 90 -11.121 3.725 11.627 1.00 0.00 O ATOM 0 H SER A 90 -11.737 0.331 11.547 1.00 0.00 H new ATOM 0 HA SER A 90 -10.746 2.312 9.623 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.689 1.954 12.589 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.315 2.759 11.858 1.00 0.00 H new ATOM 0 HG SER A 90 -10.995 4.249 12.446 1.00 0.00 H new ATOM 1279 N LEU A 91 -8.326 1.569 9.482 1.00 0.00 N ATOM 1280 CA LEU A 91 -7.047 0.972 9.136 1.00 0.00 C ATOM 1281 C LEU A 91 -6.305 0.588 10.418 1.00 0.00 C ATOM 1282 O LEU A 91 -5.427 -0.273 10.397 1.00 0.00 O ATOM 1283 CB LEU A 91 -6.251 1.904 8.220 1.00 0.00 C ATOM 1284 CG LEU A 91 -6.390 1.648 6.718 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -5.938 2.867 5.910 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -5.643 0.378 6.306 1.00 0.00 C ATOM 0 H LEU A 91 -8.454 2.525 9.150 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.196 0.055 8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.558 2.930 8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.197 1.828 8.485 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.445 1.487 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.047 2.659 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.552 3.728 6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.893 3.084 6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.758 0.220 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.585 0.484 6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.053 -0.476 6.845 1.00 0.00 H new ATOM 1298 N SER A 92 -6.686 1.246 11.503 1.00 0.00 N ATOM 1299 CA SER A 92 -6.068 0.984 12.792 1.00 0.00 C ATOM 1300 C SER A 92 -6.204 -0.498 13.146 1.00 0.00 C ATOM 1301 O SER A 92 -5.492 -1.000 14.015 1.00 0.00 O ATOM 1302 CB SER A 92 -6.691 1.851 13.888 1.00 0.00 C ATOM 1303 OG SER A 92 -5.844 2.935 14.258 1.00 0.00 O ATOM 0 H SER A 92 -7.415 1.960 11.516 1.00 0.00 H new ATOM 0 HA SER A 92 -5.010 1.239 12.722 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.648 2.241 13.541 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.896 1.236 14.764 1.00 0.00 H new ATOM 0 HG SER A 92 -6.278 3.465 14.959 1.00 0.00 H new ATOM 1309 N SER A 93 -7.122 -1.157 12.455 1.00 0.00 N ATOM 1310 CA SER A 93 -7.360 -2.572 12.686 1.00 0.00 C ATOM 1311 C SER A 93 -6.797 -3.393 11.524 1.00 0.00 C ATOM 1312 O SER A 93 -6.640 -4.608 11.637 1.00 0.00 O ATOM 1313 CB SER A 93 -8.853 -2.858 12.863 1.00 0.00 C ATOM 1314 OG SER A 93 -9.577 -2.684 11.648 1.00 0.00 O ATOM 0 H SER A 93 -7.710 -0.738 11.735 1.00 0.00 H new ATOM 0 HA SER A 93 -6.851 -2.859 13.606 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.987 -3.879 13.222 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.261 -2.196 13.626 1.00 0.00 H new ATOM 0 HG SER A 93 -9.553 -1.740 11.385 1.00 0.00 H new ATOM 1320 N LEU A 94 -6.507 -2.697 10.435 1.00 0.00 N ATOM 1321 CA LEU A 94 -5.964 -3.347 9.254 1.00 0.00 C ATOM 1322 C LEU A 94 -4.504 -3.723 9.510 1.00 0.00 C ATOM 1323 O LEU A 94 -3.978 -3.483 10.596 1.00 0.00 O ATOM 1324 CB LEU A 94 -6.166 -2.468 8.018 1.00 0.00 C ATOM 1325 CG LEU A 94 -7.551 -2.526 7.371 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -7.699 -3.779 6.505 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -8.654 -2.426 8.427 1.00 0.00 C ATOM 0 H LEU A 94 -6.638 -1.689 10.345 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.500 -4.273 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.959 -1.434 8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.426 -2.752 7.270 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.657 -1.664 6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.692 -3.796 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.946 -3.768 5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.565 -4.667 7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.628 -2.470 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.562 -3.254 9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.559 -1.482 8.964 1.00 0.00 H new ATOM 1339 N SER A 95 -3.889 -4.306 8.491 1.00 0.00 N ATOM 1340 CA SER A 95 -2.499 -4.718 8.592 1.00 0.00 C ATOM 1341 C SER A 95 -2.411 -6.121 9.197 1.00 0.00 C ATOM 1342 O SER A 95 -1.366 -6.514 9.712 1.00 0.00 O ATOM 1343 CB SER A 95 -1.691 -3.727 9.432 1.00 0.00 C ATOM 1344 OG SER A 95 -0.301 -3.772 9.121 1.00 0.00 O ATOM 0 H SER A 95 -4.328 -4.503 7.592 1.00 0.00 H new ATOM 0 HA SER A 95 -2.074 -4.735 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.068 -2.718 9.264 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.833 -3.948 10.490 1.00 0.00 H new ATOM 0 HG SER A 95 0.015 -4.698 9.168 1.00 0.00 H new ATOM 1350 N LEU A 96 -3.523 -6.837 9.114 1.00 0.00 N ATOM 1351 CA LEU A 96 -3.584 -8.187 9.647 1.00 0.00 C ATOM 1352 C LEU A 96 -3.874 -9.167 8.508 1.00 0.00 C ATOM 1353 O LEU A 96 -3.743 -8.818 7.336 1.00 0.00 O ATOM 1354 CB LEU A 96 -4.592 -8.265 10.796 1.00 0.00 C ATOM 1355 CG LEU A 96 -4.886 -6.949 11.519 1.00 0.00 C ATOM 1356 CD1 LEU A 96 -6.175 -7.050 12.337 1.00 0.00 C ATOM 1357 CD2 LEU A 96 -3.695 -6.516 12.377 1.00 0.00 C ATOM 0 H LEU A 96 -4.388 -6.508 8.686 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.623 -8.471 10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.530 -8.659 10.404 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.224 -8.985 11.528 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.040 -6.174 10.768 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.361 -6.102 12.841 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.010 -7.279 11.674 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.074 -7.842 13.079 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.931 -5.578 12.880 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.485 -7.284 13.121 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.820 -6.377 11.742 1.00 0.00 H new ATOM 1369 N ALA A 97 -4.263 -10.374 8.893 1.00 0.00 N ATOM 1370 CA ALA A 97 -4.573 -11.406 7.919 1.00 0.00 C ATOM 1371 C ALA A 97 -6.077 -11.402 7.637 1.00 0.00 C ATOM 1372 O ALA A 97 -6.751 -12.412 7.830 1.00 0.00 O ATOM 1373 CB ALA A 97 -4.080 -12.760 8.436 1.00 0.00 C ATOM 0 H ALA A 97 -4.370 -10.660 9.866 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.061 -11.210 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.312 -13.535 7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.002 -12.719 8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.574 -12.991 9.380 1.00 0.00 H new ATOM 1379 N VAL A 98 -6.558 -10.253 7.186 1.00 0.00 N ATOM 1380 CA VAL A 98 -7.970 -10.104 6.876 1.00 0.00 C ATOM 1381 C VAL A 98 -8.393 -11.206 5.903 1.00 0.00 C ATOM 1382 O VAL A 98 -7.628 -11.584 5.017 1.00 0.00 O ATOM 1383 CB VAL A 98 -8.242 -8.696 6.341 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -7.727 -7.632 7.312 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -7.632 -8.511 4.950 1.00 0.00 C ATOM 0 H VAL A 98 -5.996 -9.417 7.028 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.573 -10.217 7.777 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.321 -8.574 6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.933 -6.641 6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.229 -7.743 8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.652 -7.753 7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.840 -7.502 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.554 -8.663 5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.067 -9.236 4.262 1.00 0.00 H new ATOM 1395 N PRO A 99 -9.643 -11.702 6.105 1.00 0.00 N ATOM 1396 CA PRO A 99 -10.178 -12.753 5.256 1.00 0.00 C ATOM 1397 C PRO A 99 -10.581 -12.200 3.888 1.00 0.00 C ATOM 1398 O PRO A 99 -10.530 -10.992 3.663 1.00 0.00 O ATOM 1399 CB PRO A 99 -11.350 -13.329 6.033 1.00 0.00 C ATOM 1400 CG PRO A 99 -11.717 -12.281 7.072 1.00 0.00 C ATOM 1401 CD PRO A 99 -10.577 -11.278 7.144 1.00 0.00 C ATOM 0 HA PRO A 99 -9.445 -13.529 5.035 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -12.192 -13.536 5.373 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -11.078 -14.272 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -12.647 -11.783 6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -11.878 -12.747 8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -10.931 -10.263 6.967 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -10.106 -11.284 8.127 1.00 0.00 H new ATOM 1409 N PRO A 100 -10.984 -13.135 2.986 1.00 0.00 N ATOM 1410 CA PRO A 100 -11.397 -12.754 1.646 1.00 0.00 C ATOM 1411 C PRO A 100 -12.788 -12.118 1.661 1.00 0.00 C ATOM 1412 O PRO A 100 -13.645 -12.508 2.453 1.00 0.00 O ATOM 1413 CB PRO A 100 -11.339 -14.039 0.836 1.00 0.00 C ATOM 1414 CG PRO A 100 -11.348 -15.171 1.850 1.00 0.00 C ATOM 1415 CD PRO A 100 -11.058 -14.575 3.218 1.00 0.00 C ATOM 0 HA PRO A 100 -10.751 -11.993 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -12.191 -14.113 0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.440 -14.073 0.221 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.314 -15.675 1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.598 -15.919 1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.844 -14.821 3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.124 -14.959 3.627 1.00 0.00 H new ATOM 1423 N PRO A 101 -12.975 -11.124 0.752 1.00 0.00 N ATOM 1424 CA PRO A 101 -14.248 -10.430 0.653 1.00 0.00 C ATOM 1425 C PRO A 101 -15.297 -11.305 -0.037 1.00 0.00 C ATOM 1426 O PRO A 101 -15.112 -12.513 -0.172 1.00 0.00 O ATOM 1427 CB PRO A 101 -13.942 -9.154 -0.114 1.00 0.00 C ATOM 1428 CG PRO A 101 -12.617 -9.397 -0.817 1.00 0.00 C ATOM 1429 CD PRO A 101 -11.984 -10.635 -0.202 1.00 0.00 C ATOM 0 HA PRO A 101 -14.678 -10.200 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -14.731 -8.932 -0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.876 -8.300 0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.773 -9.539 -1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.960 -8.535 -0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.762 -11.385 -0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.043 -10.394 0.293 1.00 0.00 H new ATOM 1437 N ARG A 102 -16.377 -10.660 -0.455 1.00 0.00 N ATOM 1438 CA ARG A 102 -17.455 -11.365 -1.127 1.00 0.00 C ATOM 1439 C ARG A 102 -17.347 -11.180 -2.642 1.00 0.00 C ATOM 1440 O ARG A 102 -17.746 -12.056 -3.408 1.00 0.00 O ATOM 1441 CB ARG A 102 -18.821 -10.860 -0.655 1.00 0.00 C ATOM 1442 CG ARG A 102 -19.806 -12.019 -0.492 1.00 0.00 C ATOM 1443 CD ARG A 102 -21.246 -11.550 -0.712 1.00 0.00 C ATOM 1444 NE ARG A 102 -21.970 -12.520 -1.564 1.00 0.00 N ATOM 1445 CZ ARG A 102 -21.755 -12.672 -2.888 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -20.834 -11.918 -3.524 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -22.460 -13.570 -3.551 1.00 0.00 N ATOM 0 H ARG A 102 -16.528 -9.658 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 102 -17.365 -12.423 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -18.711 -10.335 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -19.215 -10.141 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -19.564 -12.809 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -19.708 -12.447 0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -21.754 -11.446 0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -21.249 -10.567 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 102 -22.675 -13.110 -1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -20.294 -11.227 -3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -20.678 -12.040 -4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -23.154 -14.136 -3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -22.311 -13.698 -4.552 1.00 0.00 H new ATOM 1460 N PHE A 103 -16.805 -10.034 -3.029 1.00 0.00 N ATOM 1461 CA PHE A 103 -16.640 -9.723 -4.439 1.00 0.00 C ATOM 1462 C PHE A 103 -16.224 -10.965 -5.229 1.00 0.00 C ATOM 1463 O PHE A 103 -15.747 -11.941 -4.653 1.00 0.00 O ATOM 1464 CB PHE A 103 -15.529 -8.675 -4.538 1.00 0.00 C ATOM 1465 CG PHE A 103 -15.681 -7.512 -3.555 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -16.719 -6.644 -3.684 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -14.777 -7.348 -2.552 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -16.860 -5.565 -2.772 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -14.918 -6.269 -1.640 1.00 0.00 C ATOM 1470 CZ PHE A 103 -15.957 -5.400 -1.769 1.00 0.00 C ATOM 0 H PHE A 103 -16.475 -9.310 -2.391 1.00 0.00 H new ATOM 0 HA PHE A 103 -17.581 -9.360 -4.853 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -14.569 -9.161 -4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -15.507 -8.279 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -17.437 -6.775 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -13.953 -8.038 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -17.685 -4.875 -2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -14.200 -6.138 -0.844 1.00 0.00 H new ATOM 0 HZ PHE A 103 -16.064 -4.580 -1.075 1.00 0.00 H new ATOM 1480 N HIS A 104 -16.422 -10.889 -6.537 1.00 0.00 N ATOM 1481 CA HIS A 104 -16.074 -11.995 -7.413 1.00 0.00 C ATOM 1482 C HIS A 104 -14.556 -12.188 -7.417 1.00 0.00 C ATOM 1483 O HIS A 104 -13.824 -11.390 -6.834 1.00 0.00 O ATOM 1484 CB HIS A 104 -16.649 -11.780 -8.814 1.00 0.00 C ATOM 1485 CG HIS A 104 -16.917 -13.059 -9.571 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -17.191 -13.084 -10.927 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -16.949 -14.355 -9.147 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -17.379 -14.344 -11.292 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -17.229 -15.130 -10.188 1.00 0.00 N ATOM 0 H HIS A 104 -16.819 -10.078 -7.011 1.00 0.00 H new ATOM 0 HA HIS A 104 -16.521 -12.916 -7.038 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -17.579 -11.217 -8.732 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -15.956 -11.167 -9.390 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -16.776 -14.693 -8.136 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -17.610 -14.688 -12.289 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -17.317 -16.146 -10.166 1.00 0.00 H new ATOM 1497 N ASP A 105 -14.129 -13.252 -8.082 1.00 0.00 N ATOM 1498 CA ASP A 105 -12.712 -13.560 -8.170 1.00 0.00 C ATOM 1499 C ASP A 105 -11.925 -12.264 -8.379 1.00 0.00 C ATOM 1500 O ASP A 105 -10.953 -12.003 -7.672 1.00 0.00 O ATOM 1501 CB ASP A 105 -12.422 -14.485 -9.353 1.00 0.00 C ATOM 1502 CG ASP A 105 -11.001 -14.394 -9.913 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -10.024 -14.271 -9.159 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -10.917 -14.454 -11.199 1.00 0.00 O ATOM 0 H ASP A 105 -14.740 -13.911 -8.565 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.416 -14.054 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.610 -15.514 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.127 -14.258 -10.153 1.00 0.00 H new TER 1510 ASP A 105