USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= -1.17! C(o=-2.5!,f=-4.1!) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -1.88 K(o=-2.5,f=-1.2) USER MOD Set 1.3: A 69 THR OG1 : rot -90:sc= 0.971 USER MOD Set 1.4: A 89 ASN : amide:sc= -0.445 K(o=-2.5,f=-4.1!) USER MOD Set 2.1: A 25 ASN : amide:sc= -0.951 K(o=-2.3,f=-7!) USER MOD Set 2.2: A 29 HIS : no HD1:sc= -1.37 K(o=-2.3,f=0.41) USER MOD Single : A 7 ASN : amide:sc= -0.743 K(o=-0.74,f=-3!) 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 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.631 K(o=-0.63,f=0.098) USER MOD Single : A 33 THR OG1 : rot 100:sc=-0.00491 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.72! K(o=-4.7!,f=-0.92) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.799 K(o=0.8,f=-4.8!) USER MOD Single : A 45 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -160:sc=-0.00247 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -157:sc= 1.06 USER MOD Single : A 65 ASN : amide:sc= -0.0012 K(o=-0.0012,f=-2.3!) USER MOD Single : A 71 THR OG1 : rot 45:sc= 0.365 USER MOD Single : A 73 SER OG : rot -130:sc= 0.126 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.0024) USER MOD Single : A 84 SER OG : rot -91:sc= -0.922 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -175:sc= -4.59! (180deg=-4.68!) USER MOD Single : A 90 TYR OH : rot -8:sc= 0.0469 USER MOD Single : A 94 ASN : amide:sc= -3.2! C(o=-3.2!,f=-4.1!) USER MOD Single : A 95 SER OG : rot 66:sc= 0.617 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.441 -3.899 -1.389 1.00 0.00 N ATOM 34 CA CYS A 3 10.405 -4.693 -0.746 1.00 0.00 C ATOM 35 C CYS A 3 9.609 -5.499 -1.774 1.00 0.00 C ATOM 36 O CYS A 3 9.793 -6.710 -1.885 1.00 0.00 O ATOM 37 CB CYS A 3 9.481 -3.788 0.068 1.00 0.00 C ATOM 38 SG CYS A 3 10.347 -2.778 1.315 1.00 0.00 S ATOM 0 HA CYS A 3 10.884 -5.402 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.945 -3.126 -0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.734 -4.404 0.569 1.00 0.00 H new ATOM 42 N ASN A 4 8.745 -4.817 -2.529 1.00 0.00 N ATOM 43 CA ASN A 4 7.915 -5.452 -3.561 1.00 0.00 C ATOM 44 C ASN A 4 7.153 -6.655 -3.017 1.00 0.00 C ATOM 45 O ASN A 4 7.516 -7.795 -3.305 1.00 0.00 O ATOM 46 CB ASN A 4 8.763 -5.911 -4.754 1.00 0.00 C ATOM 47 CG ASN A 4 9.506 -4.787 -5.443 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.954 -4.097 -6.296 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.777 -4.625 -5.110 1.00 0.00 N ATOM 0 H ASN A 4 8.599 -3.811 -2.444 1.00 0.00 H new ATOM 0 HA ASN A 4 7.202 -4.695 -3.886 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.483 -6.654 -4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.116 -6.405 -5.479 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.336 -3.905 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.197 -5.220 -4.396 1.00 0.00 H new ATOM 55 N PHE A 5 6.092 -6.415 -2.246 1.00 0.00 N ATOM 56 CA PHE A 5 5.311 -7.517 -1.689 1.00 0.00 C ATOM 57 C PHE A 5 4.789 -8.435 -2.800 1.00 0.00 C ATOM 58 O PHE A 5 4.834 -9.657 -2.684 1.00 0.00 O ATOM 59 CB PHE A 5 4.141 -6.984 -0.843 1.00 0.00 C ATOM 60 CG PHE A 5 2.974 -6.451 -1.635 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.117 -5.355 -2.474 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.729 -7.049 -1.530 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.041 -4.869 -3.191 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.649 -6.568 -2.245 1.00 0.00 C ATOM 65 CZ PHE A 5 0.805 -5.475 -3.076 1.00 0.00 C ATOM 0 H PHE A 5 5.759 -5.484 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 5 5.968 -8.099 -1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.786 -7.786 -0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.513 -6.191 -0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.081 -4.876 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.601 -7.902 -0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.166 -4.016 -3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.316 -7.045 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.038 -5.095 -3.634 1.00 0.00 H new ATOM 74 N ALA A 6 4.363 -7.823 -3.901 1.00 0.00 N ATOM 75 CA ALA A 6 3.796 -8.536 -5.044 1.00 0.00 C ATOM 76 C ALA A 6 4.734 -9.596 -5.620 1.00 0.00 C ATOM 77 O ALA A 6 4.280 -10.546 -6.263 1.00 0.00 O ATOM 78 CB ALA A 6 3.421 -7.536 -6.123 1.00 0.00 C ATOM 0 H ALA A 6 4.401 -6.812 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 6 2.913 -9.066 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.998 -8.064 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.685 -6.835 -5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.310 -6.990 -6.438 1.00 0.00 H new ATOM 84 N ASN A 7 6.028 -9.454 -5.378 1.00 0.00 N ATOM 85 CA ASN A 7 7.009 -10.404 -5.898 1.00 0.00 C ATOM 86 C ASN A 7 6.877 -11.768 -5.230 1.00 0.00 C ATOM 87 O ASN A 7 7.307 -12.782 -5.781 1.00 0.00 O ATOM 88 CB ASN A 7 8.433 -9.869 -5.726 1.00 0.00 C ATOM 89 CG ASN A 7 8.758 -8.753 -6.704 1.00 0.00 C ATOM 90 OD1 ASN A 7 7.879 -8.001 -7.126 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.023 -8.632 -7.067 1.00 0.00 N ATOM 0 H ASN A 7 6.426 -8.694 -4.827 1.00 0.00 H new ATOM 0 HA ASN A 7 6.807 -10.527 -6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.559 -9.503 -4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.143 -10.685 -5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.299 -7.897 -7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.724 -9.274 -6.696 1.00 0.00 H new ATOM 97 N SER A 8 6.277 -11.798 -4.049 1.00 0.00 N ATOM 98 CA SER A 8 6.094 -13.050 -3.325 1.00 0.00 C ATOM 99 C SER A 8 4.672 -13.160 -2.777 1.00 0.00 C ATOM 100 O SER A 8 4.403 -13.946 -1.866 1.00 0.00 O ATOM 101 CB SER A 8 7.108 -13.143 -2.187 1.00 0.00 C ATOM 102 OG SER A 8 8.435 -13.092 -2.683 1.00 0.00 O ATOM 0 H SER A 8 5.910 -10.974 -3.572 1.00 0.00 H new ATOM 0 HA SER A 8 6.255 -13.877 -4.017 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.947 -12.326 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.957 -14.071 -1.636 1.00 0.00 H new ATOM 0 HG SER A 8 9.066 -13.152 -1.936 1.00 0.00 H new ATOM 107 N CYS A 9 3.768 -12.375 -3.339 1.00 0.00 N ATOM 108 CA CYS A 9 2.376 -12.378 -2.914 1.00 0.00 C ATOM 109 C CYS A 9 1.461 -12.646 -4.105 1.00 0.00 C ATOM 110 O CYS A 9 1.616 -12.042 -5.166 1.00 0.00 O ATOM 111 CB CYS A 9 2.026 -11.038 -2.258 1.00 0.00 C ATOM 112 SG CYS A 9 2.941 -10.691 -0.715 1.00 0.00 S ATOM 0 H CYS A 9 3.974 -11.723 -4.096 1.00 0.00 H new ATOM 0 HA CYS A 9 2.230 -13.173 -2.183 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.222 -10.237 -2.970 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.957 -11.020 -2.044 1.00 0.00 H new ATOM 116 N THR A 10 0.512 -13.552 -3.923 1.00 0.00 N ATOM 117 CA THR A 10 -0.418 -13.916 -4.979 1.00 0.00 C ATOM 118 C THR A 10 -1.861 -13.791 -4.511 1.00 0.00 C ATOM 119 O THR A 10 -2.137 -13.870 -3.312 1.00 0.00 O ATOM 120 CB THR A 10 -0.169 -15.359 -5.451 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.097 -16.238 -4.316 1.00 0.00 O ATOM 122 CG2 THR A 10 1.116 -15.452 -6.250 1.00 0.00 C ATOM 0 H THR A 10 0.366 -14.052 -3.046 1.00 0.00 H new ATOM 0 HA THR A 10 -0.251 -13.227 -5.807 1.00 0.00 H new ATOM 0 HB THR A 10 -0.998 -15.658 -6.093 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.060 -17.156 -4.622 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.270 -16.482 -6.573 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.049 -14.804 -7.124 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.954 -15.137 -5.629 1.00 0.00 H new ATOM 130 N GLY A 11 -2.768 -13.592 -5.460 1.00 0.00 N ATOM 131 CA GLY A 11 -4.180 -13.466 -5.144 1.00 0.00 C ATOM 132 C GLY A 11 -4.461 -12.306 -4.212 1.00 0.00 C ATOM 133 O GLY A 11 -4.917 -12.505 -3.085 1.00 0.00 O ATOM 0 H GLY A 11 -2.548 -13.515 -6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.746 -13.333 -6.066 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.531 -14.390 -4.685 1.00 0.00 H new ATOM 137 N VAL A 12 -4.190 -11.098 -4.678 1.00 0.00 N ATOM 138 CA VAL A 12 -4.402 -9.909 -3.870 1.00 0.00 C ATOM 139 C VAL A 12 -5.724 -9.232 -4.210 1.00 0.00 C ATOM 140 O VAL A 12 -6.072 -9.059 -5.381 1.00 0.00 O ATOM 141 CB VAL A 12 -3.244 -8.903 -4.026 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.983 -9.443 -3.369 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.989 -8.599 -5.493 1.00 0.00 C ATOM 0 H VAL A 12 -3.823 -10.915 -5.612 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.437 -10.238 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.527 -7.975 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.174 -8.722 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.168 -9.610 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.702 -10.385 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.168 -7.887 -5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.728 -9.519 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.888 -8.172 -5.938 1.00 0.00 H new ATOM 153 N GLU A 13 -6.461 -8.872 -3.174 1.00 0.00 N ATOM 154 CA GLU A 13 -7.749 -8.216 -3.327 1.00 0.00 C ATOM 155 C GLU A 13 -7.816 -6.975 -2.442 1.00 0.00 C ATOM 156 O GLU A 13 -7.385 -7.001 -1.286 1.00 0.00 O ATOM 157 CB GLU A 13 -8.876 -9.196 -2.979 1.00 0.00 C ATOM 158 CG GLU A 13 -8.740 -9.819 -1.598 1.00 0.00 C ATOM 159 CD GLU A 13 -9.748 -10.919 -1.350 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.906 -10.609 -1.006 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.389 -12.106 -1.510 1.00 0.00 O ATOM 0 H GLU A 13 -6.185 -9.026 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.871 -7.901 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.831 -8.674 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.898 -9.990 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.734 -10.222 -1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.861 -9.044 -0.841 1.00 0.00 H new ATOM 166 N LEU A 14 -8.335 -5.886 -2.994 1.00 0.00 N ATOM 167 CA LEU A 14 -8.452 -4.638 -2.253 1.00 0.00 C ATOM 168 C LEU A 14 -9.898 -4.174 -2.189 1.00 0.00 C ATOM 169 O LEU A 14 -10.569 -4.041 -3.213 1.00 0.00 O ATOM 170 CB LEU A 14 -7.573 -3.548 -2.880 1.00 0.00 C ATOM 171 CG LEU A 14 -7.734 -2.138 -2.288 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.582 -2.149 -0.773 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.719 -1.202 -2.899 1.00 0.00 C ATOM 0 H LEU A 14 -8.682 -5.842 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.106 -4.822 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.529 -3.847 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.791 -3.501 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.739 -1.789 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.702 -1.136 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.343 -2.796 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.593 -2.523 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.841 -0.206 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.714 -1.567 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.869 -1.157 -3.978 1.00 0.00 H new ATOM 184 N TYR A 15 -10.370 -3.960 -0.975 1.00 0.00 N ATOM 185 CA TYR A 15 -11.722 -3.491 -0.735 1.00 0.00 C ATOM 186 C TYR A 15 -11.698 -2.351 0.277 1.00 0.00 C ATOM 187 O TYR A 15 -11.294 -2.536 1.428 1.00 0.00 O ATOM 188 CB TYR A 15 -12.619 -4.643 -0.259 1.00 0.00 C ATOM 189 CG TYR A 15 -11.922 -5.658 0.631 1.00 0.00 C ATOM 190 CD1 TYR A 15 -11.235 -6.736 0.081 1.00 0.00 C ATOM 191 CD2 TYR A 15 -11.950 -5.539 2.015 1.00 0.00 C ATOM 192 CE1 TYR A 15 -10.597 -7.663 0.884 1.00 0.00 C ATOM 193 CE2 TYR A 15 -11.313 -6.462 2.824 1.00 0.00 C ATOM 194 CZ TYR A 15 -10.638 -7.522 2.254 1.00 0.00 C ATOM 195 OH TYR A 15 -9.998 -8.443 3.055 1.00 0.00 O ATOM 0 H TYR A 15 -9.825 -4.107 -0.125 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.142 -3.115 -1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -13.468 -4.226 0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.020 -5.159 -1.131 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -11.200 -6.850 -0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -12.478 -4.712 2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -10.069 -8.494 0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.344 -6.354 3.898 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.122 -8.200 3.996 1.00 0.00 H new ATOM 204 N GLY A 16 -12.085 -1.163 -0.174 1.00 0.00 N ATOM 205 CA GLY A 16 -12.096 0.006 0.689 1.00 0.00 C ATOM 206 C GLY A 16 -10.699 0.557 0.919 1.00 0.00 C ATOM 207 O GLY A 16 -10.341 1.609 0.397 1.00 0.00 O ATOM 0 H GLY A 16 -12.394 -0.987 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.722 0.779 0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.545 -0.255 1.647 1.00 0.00 H new ATOM 211 N TYR A 17 -9.917 -0.179 1.692 1.00 0.00 N ATOM 212 CA TYR A 17 -8.543 0.185 2.020 1.00 0.00 C ATOM 213 C TYR A 17 -7.838 -1.007 2.667 1.00 0.00 C ATOM 214 O TYR A 17 -6.852 -0.851 3.394 1.00 0.00 O ATOM 215 CB TYR A 17 -8.508 1.403 2.959 1.00 0.00 C ATOM 216 CG TYR A 17 -9.345 1.250 4.218 1.00 0.00 C ATOM 217 CD1 TYR A 17 -8.837 0.620 5.347 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.645 1.743 4.273 1.00 0.00 C ATOM 219 CE1 TYR A 17 -9.597 0.484 6.491 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.409 1.610 5.415 1.00 0.00 C ATOM 221 CZ TYR A 17 -10.882 0.981 6.519 1.00 0.00 C ATOM 222 OH TYR A 17 -11.640 0.848 7.655 1.00 0.00 O ATOM 0 H TYR A 17 -10.219 -1.056 2.115 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.023 0.455 1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.474 1.595 3.246 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.855 2.279 2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.830 0.230 5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.063 2.238 3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.187 -0.009 7.360 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.416 1.998 5.442 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.521 1.253 7.510 1.00 0.00 H new ATOM 231 N ILE A 18 -8.340 -2.198 2.374 1.00 0.00 N ATOM 232 CA ILE A 18 -7.799 -3.423 2.939 1.00 0.00 C ATOM 233 C ILE A 18 -7.307 -4.347 1.837 1.00 0.00 C ATOM 234 O ILE A 18 -8.101 -4.844 1.039 1.00 0.00 O ATOM 235 CB ILE A 18 -8.866 -4.164 3.765 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.685 -3.155 4.571 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.209 -5.191 4.680 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.799 -3.772 5.388 1.00 0.00 C ATOM 0 H ILE A 18 -9.128 -2.341 1.742 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.967 -3.147 3.587 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.537 -4.697 3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.016 -2.613 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -10.114 -2.423 3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.976 -5.707 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.659 -5.915 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.521 -4.686 5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.330 -2.989 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.492 -4.290 4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.378 -4.483 6.099 1.00 0.00 H new ATOM 249 N LEU A 19 -6.001 -4.555 1.792 1.00 0.00 N ATOM 250 CA LEU A 19 -5.391 -5.418 0.797 1.00 0.00 C ATOM 251 C LEU A 19 -5.100 -6.775 1.398 1.00 0.00 C ATOM 252 O LEU A 19 -4.282 -6.895 2.301 1.00 0.00 O ATOM 253 CB LEU A 19 -4.084 -4.810 0.293 1.00 0.00 C ATOM 254 CG LEU A 19 -4.043 -4.474 -1.193 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.751 -3.748 -1.520 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.178 -5.739 -2.028 1.00 0.00 C ATOM 0 H LEU A 19 -5.338 -4.132 2.441 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.086 -5.524 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.886 -3.899 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.273 -5.504 0.513 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.882 -3.820 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.726 -3.510 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.695 -2.826 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.902 -4.385 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.147 -5.481 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.357 -6.418 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.127 -6.225 -1.801 1.00 0.00 H new ATOM 267 N ARG A 20 -5.762 -7.794 0.908 1.00 0.00 N ATOM 268 CA ARG A 20 -5.537 -9.128 1.415 1.00 0.00 C ATOM 269 C ARG A 20 -4.984 -10.005 0.313 1.00 0.00 C ATOM 270 O ARG A 20 -5.410 -9.909 -0.838 1.00 0.00 O ATOM 271 CB ARG A 20 -6.822 -9.741 1.963 1.00 0.00 C ATOM 272 CG ARG A 20 -6.594 -11.098 2.604 1.00 0.00 C ATOM 273 CD ARG A 20 -7.561 -12.138 2.065 1.00 0.00 C ATOM 274 NE ARG A 20 -7.297 -13.465 2.615 1.00 0.00 N ATOM 275 CZ ARG A 20 -8.119 -14.112 3.438 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.253 -13.548 3.836 1.00 0.00 N ATOM 277 NH2 ARG A 20 -7.806 -15.329 3.867 1.00 0.00 N ATOM 0 H ARG A 20 -6.457 -7.728 0.164 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.819 -9.062 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.258 -9.065 2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.546 -9.842 1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.570 -11.422 2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.712 -11.016 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.582 -11.842 2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.486 -12.174 0.978 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.426 -13.926 2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.499 -12.613 3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.878 -14.050 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.936 -15.768 3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.436 -15.825 4.498 1.00 0.00 H new ATOM 288 N GLY A 21 -4.035 -10.847 0.660 1.00 0.00 N ATOM 289 CA GLY A 21 -3.458 -11.729 -0.318 1.00 0.00 C ATOM 290 C GLY A 21 -2.685 -12.855 0.315 1.00 0.00 C ATOM 291 O GLY A 21 -2.548 -12.916 1.539 1.00 0.00 O ATOM 0 H GLY A 21 -3.653 -10.936 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.249 -12.141 -0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.797 -11.160 -0.972 1.00 0.00 H new ATOM 295 N ASP A 22 -2.183 -13.748 -0.519 1.00 0.00 N ATOM 296 CA ASP A 22 -1.419 -14.889 -0.053 1.00 0.00 C ATOM 297 C ASP A 22 0.051 -14.678 -0.348 1.00 0.00 C ATOM 298 O ASP A 22 0.479 -14.759 -1.496 1.00 0.00 O ATOM 299 CB ASP A 22 -1.908 -16.172 -0.726 1.00 0.00 C ATOM 300 CG ASP A 22 -3.301 -16.566 -0.282 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.485 -16.908 0.904 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.231 -16.512 -1.117 1.00 0.00 O ATOM 0 H ASP A 22 -2.293 -13.703 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.559 -14.987 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.900 -16.037 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.216 -16.983 -0.501 1.00 0.00 H new ATOM 306 N CYS A 23 0.828 -14.424 0.683 1.00 0.00 N ATOM 307 CA CYS A 23 2.245 -14.189 0.511 1.00 0.00 C ATOM 308 C CYS A 23 3.034 -15.398 0.982 1.00 0.00 C ATOM 309 O CYS A 23 2.817 -15.909 2.076 1.00 0.00 O ATOM 310 CB CYS A 23 2.642 -12.943 1.295 1.00 0.00 C ATOM 311 SG CYS A 23 1.765 -11.437 0.760 1.00 0.00 S ATOM 0 H CYS A 23 0.502 -14.375 1.648 1.00 0.00 H new ATOM 0 HA CYS A 23 2.468 -14.031 -0.544 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.445 -13.112 2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.715 -12.785 1.191 1.00 0.00 H new ATOM 315 N ILE A 24 3.966 -15.836 0.155 1.00 0.00 N ATOM 316 CA ILE A 24 4.774 -17.007 0.454 1.00 0.00 C ATOM 317 C ILE A 24 5.749 -16.737 1.592 1.00 0.00 C ATOM 318 O ILE A 24 6.347 -15.663 1.672 1.00 0.00 O ATOM 319 CB ILE A 24 5.536 -17.474 -0.801 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.538 -17.766 -1.923 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.381 -18.701 -0.501 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.170 -18.307 -3.184 1.00 0.00 C ATOM 0 H ILE A 24 4.184 -15.394 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 24 4.098 -17.800 0.773 1.00 0.00 H new ATOM 0 HB ILE A 24 6.211 -16.680 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.801 -18.483 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.999 -16.849 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.908 -19.009 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.105 -18.463 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.737 -19.512 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.396 -18.488 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.886 -17.582 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.685 -19.242 -2.961 1.00 0.00 H new ATOM 333 N ASN A 25 5.889 -17.717 2.472 1.00 0.00 N ATOM 334 CA ASN A 25 6.780 -17.599 3.615 1.00 0.00 C ATOM 335 C ASN A 25 8.037 -18.436 3.396 1.00 0.00 C ATOM 336 O ASN A 25 8.254 -18.937 2.293 1.00 0.00 O ATOM 337 CB ASN A 25 6.053 -18.027 4.899 1.00 0.00 C ATOM 338 CG ASN A 25 5.947 -19.528 5.060 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.753 -20.143 5.750 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.971 -20.133 4.413 1.00 0.00 N ATOM 0 H ASN A 25 5.394 -18.607 2.415 1.00 0.00 H new ATOM 0 HA ASN A 25 7.081 -16.557 3.723 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.578 -17.613 5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.051 -17.598 4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.868 -21.146 4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.319 -19.588 3.848 1.00 0.00 H new ATOM 346 N GLU A 26 8.846 -18.603 4.436 1.00 0.00 N ATOM 347 CA GLU A 26 10.086 -19.372 4.339 1.00 0.00 C ATOM 348 C GLU A 26 9.834 -20.821 3.900 1.00 0.00 C ATOM 349 O GLU A 26 10.681 -21.438 3.255 1.00 0.00 O ATOM 350 CB GLU A 26 10.827 -19.344 5.678 1.00 0.00 C ATOM 351 CG GLU A 26 10.011 -19.867 6.850 1.00 0.00 C ATOM 352 CD GLU A 26 10.798 -19.881 8.143 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.527 -20.866 8.388 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.692 -18.915 8.922 1.00 0.00 O ATOM 0 H GLU A 26 8.666 -18.215 5.362 1.00 0.00 H new ATOM 0 HA GLU A 26 10.704 -18.904 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.737 -19.937 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.133 -18.320 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.123 -19.248 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.666 -20.877 6.627 1.00 0.00 H new ATOM 359 N ASP A 27 8.661 -21.348 4.236 1.00 0.00 N ATOM 360 CA ASP A 27 8.294 -22.718 3.884 1.00 0.00 C ATOM 361 C ASP A 27 8.088 -22.879 2.386 1.00 0.00 C ATOM 362 O ASP A 27 8.259 -23.965 1.833 1.00 0.00 O ATOM 363 CB ASP A 27 7.008 -23.115 4.609 1.00 0.00 C ATOM 364 CG ASP A 27 6.492 -24.481 4.194 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.074 -25.499 4.621 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.492 -24.544 3.449 1.00 0.00 O ATOM 0 H ASP A 27 7.942 -20.844 4.756 1.00 0.00 H new ATOM 0 HA ASP A 27 9.116 -23.366 4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.187 -23.112 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.240 -22.367 4.412 1.00 0.00 H new ATOM 370 N GLY A 28 7.732 -21.788 1.732 1.00 0.00 N ATOM 371 CA GLY A 28 7.484 -21.836 0.309 1.00 0.00 C ATOM 372 C GLY A 28 6.005 -21.944 0.017 1.00 0.00 C ATOM 373 O GLY A 28 5.591 -22.074 -1.135 1.00 0.00 O ATOM 0 H GLY A 28 7.610 -20.870 2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.887 -20.940 -0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.007 -22.688 -0.126 1.00 0.00 H new ATOM 377 N HIS A 29 5.206 -21.885 1.075 1.00 0.00 N ATOM 378 CA HIS A 29 3.760 -21.971 0.945 1.00 0.00 C ATOM 379 C HIS A 29 3.129 -20.603 1.205 1.00 0.00 C ATOM 380 O HIS A 29 3.569 -19.860 2.087 1.00 0.00 O ATOM 381 CB HIS A 29 3.204 -23.061 1.892 1.00 0.00 C ATOM 382 CG HIS A 29 2.536 -22.580 3.154 1.00 0.00 C ATOM 383 ND1 HIS A 29 1.231 -22.138 3.200 1.00 0.00 N ATOM 384 CD2 HIS A 29 3.000 -22.496 4.423 1.00 0.00 C ATOM 385 CE1 HIS A 29 0.923 -21.802 4.437 1.00 0.00 C ATOM 386 NE2 HIS A 29 1.978 -22.009 5.198 1.00 0.00 N ATOM 0 H HIS A 29 5.537 -21.778 2.034 1.00 0.00 H new ATOM 0 HA HIS A 29 3.501 -22.262 -0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.486 -23.663 1.335 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.025 -23.721 2.171 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.990 -22.763 4.762 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.032 -21.422 4.770 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.027 -21.835 6.202 1.00 0.00 H new ATOM 394 N PRO A 30 2.120 -20.242 0.402 1.00 0.00 N ATOM 395 CA PRO A 30 1.413 -18.963 0.529 1.00 0.00 C ATOM 396 C PRO A 30 0.670 -18.826 1.858 1.00 0.00 C ATOM 397 O PRO A 30 -0.113 -19.693 2.242 1.00 0.00 O ATOM 398 CB PRO A 30 0.425 -18.972 -0.643 1.00 0.00 C ATOM 399 CG PRO A 30 0.287 -20.401 -1.034 1.00 0.00 C ATOM 400 CD PRO A 30 1.605 -21.045 -0.723 1.00 0.00 C ATOM 0 HA PRO A 30 2.105 -18.121 0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.536 -18.551 -0.349 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.796 -18.372 -1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.521 -20.880 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.048 -20.494 -2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.485 -22.093 -0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.279 -21.016 -1.579 1.00 0.00 H new ATOM 405 N HIS A 31 0.937 -17.729 2.552 1.00 0.00 N ATOM 406 CA HIS A 31 0.326 -17.434 3.837 1.00 0.00 C ATOM 407 C HIS A 31 -0.648 -16.268 3.674 1.00 0.00 C ATOM 408 O HIS A 31 -0.314 -15.255 3.058 1.00 0.00 O ATOM 409 CB HIS A 31 1.423 -17.088 4.860 1.00 0.00 C ATOM 410 CG HIS A 31 0.946 -16.934 6.279 1.00 0.00 C ATOM 411 ND1 HIS A 31 1.409 -17.714 7.321 1.00 0.00 N ATOM 412 CD2 HIS A 31 0.068 -16.064 6.834 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.834 -17.330 8.445 1.00 0.00 C ATOM 414 NE2 HIS A 31 0.019 -16.330 8.178 1.00 0.00 N ATOM 0 H HIS A 31 1.590 -17.013 2.235 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.223 -18.303 4.199 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.184 -17.868 4.831 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.906 -16.160 4.552 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.491 -15.301 6.313 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.003 -17.763 9.420 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.555 -15.834 8.860 1.00 0.00 H new ATOM 422 N ALA A 32 -1.843 -16.417 4.226 1.00 0.00 N ATOM 423 CA ALA A 32 -2.867 -15.387 4.133 1.00 0.00 C ATOM 424 C ALA A 32 -2.546 -14.196 5.032 1.00 0.00 C ATOM 425 O ALA A 32 -2.447 -14.333 6.253 1.00 0.00 O ATOM 426 CB ALA A 32 -4.225 -15.967 4.491 1.00 0.00 C ATOM 0 H ALA A 32 -2.129 -17.247 4.746 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.890 -15.029 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.984 -15.188 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.468 -16.776 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.198 -16.354 5.510 1.00 0.00 H new ATOM 432 N THR A 33 -2.381 -13.036 4.418 1.00 0.00 N ATOM 433 CA THR A 33 -2.079 -11.810 5.145 1.00 0.00 C ATOM 434 C THR A 33 -2.938 -10.665 4.617 1.00 0.00 C ATOM 435 O THR A 33 -3.434 -10.716 3.488 1.00 0.00 O ATOM 436 CB THR A 33 -0.577 -11.445 5.029 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.273 -10.292 5.827 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.197 -11.174 3.585 1.00 0.00 C ATOM 0 H THR A 33 -2.452 -12.916 3.408 1.00 0.00 H new ATOM 0 HA THR A 33 -2.306 -11.975 6.198 1.00 0.00 H new ATOM 0 HB THR A 33 -0.000 -12.295 5.394 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.134 -10.577 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.861 -10.920 3.529 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.389 -12.064 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.790 -10.343 3.202 1.00 0.00 H new ATOM 446 N SER A 34 -3.126 -9.645 5.437 1.00 0.00 N ATOM 447 CA SER A 34 -3.926 -8.499 5.052 1.00 0.00 C ATOM 448 C SER A 34 -3.285 -7.216 5.541 1.00 0.00 C ATOM 449 O SER A 34 -2.803 -7.153 6.669 1.00 0.00 O ATOM 450 CB SER A 34 -5.331 -8.631 5.620 1.00 0.00 C ATOM 451 OG SER A 34 -5.305 -8.814 7.028 1.00 0.00 O ATOM 0 H SER A 34 -2.733 -9.589 6.377 1.00 0.00 H new ATOM 0 HA SER A 34 -3.984 -8.464 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.908 -7.739 5.378 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.837 -9.475 5.151 1.00 0.00 H new ATOM 0 HG SER A 34 -6.222 -8.894 7.364 1.00 0.00 H new ATOM 456 N ILE A 35 -3.294 -6.198 4.698 1.00 0.00 N ATOM 457 CA ILE A 35 -2.692 -4.926 5.052 1.00 0.00 C ATOM 458 C ILE A 35 -3.678 -3.776 4.865 1.00 0.00 C ATOM 459 O ILE A 35 -4.508 -3.795 3.956 1.00 0.00 O ATOM 460 CB ILE A 35 -1.431 -4.616 4.199 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.557 -5.855 4.002 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.613 -3.504 4.841 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.898 -6.654 2.758 1.00 0.00 C ATOM 0 H ILE A 35 -3.710 -6.228 3.767 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.407 -5.013 6.100 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.777 -4.290 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.487 -5.547 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.655 -6.500 4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.266 -3.300 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.220 -2.602 4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.299 -3.813 5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.236 -7.517 2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.932 -6.994 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.772 -6.026 1.876 1.00 0.00 H new ATOM 474 N ASN A 36 -3.579 -2.773 5.727 1.00 0.00 N ATOM 475 CA ASN A 36 -4.437 -1.599 5.635 1.00 0.00 C ATOM 476 C ASN A 36 -3.664 -0.433 5.048 1.00 0.00 C ATOM 477 O ASN A 36 -2.933 0.261 5.751 1.00 0.00 O ATOM 478 CB ASN A 36 -5.008 -1.218 7.001 1.00 0.00 C ATOM 479 CG ASN A 36 -6.239 -2.025 7.350 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.507 -2.296 8.517 1.00 0.00 O ATOM 481 ND2 ASN A 36 -7.008 -2.398 6.337 1.00 0.00 N ATOM 0 H ASN A 36 -2.912 -2.749 6.499 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.272 -1.843 4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.247 -1.370 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.258 -0.157 7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.860 -2.931 6.513 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.748 -2.152 5.382 1.00 0.00 H new ATOM 487 N LEU A 37 -3.860 -0.212 3.754 1.00 0.00 N ATOM 488 CA LEU A 37 -3.172 0.853 3.028 1.00 0.00 C ATOM 489 C LEU A 37 -3.539 2.217 3.590 1.00 0.00 C ATOM 490 O LEU A 37 -2.788 3.178 3.453 1.00 0.00 O ATOM 491 CB LEU A 37 -3.521 0.817 1.530 1.00 0.00 C ATOM 492 CG LEU A 37 -3.232 -0.491 0.789 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.891 -1.076 1.211 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.359 -1.489 1.002 1.00 0.00 C ATOM 0 H LEU A 37 -4.497 -0.762 3.178 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.102 0.688 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.582 1.042 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.973 1.618 1.033 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.174 -0.271 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.712 -2.004 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.096 -0.365 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.903 -1.278 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.134 -2.412 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.460 -1.702 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.292 -1.070 0.626 1.00 0.00 H new ATOM 505 N ASN A 38 -4.698 2.282 4.232 1.00 0.00 N ATOM 506 CA ASN A 38 -5.200 3.522 4.813 1.00 0.00 C ATOM 507 C ASN A 38 -4.206 4.135 5.794 1.00 0.00 C ATOM 508 O ASN A 38 -4.131 5.353 5.927 1.00 0.00 O ATOM 509 CB ASN A 38 -6.535 3.261 5.519 1.00 0.00 C ATOM 510 CG ASN A 38 -7.101 4.492 6.213 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.770 4.777 7.360 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.982 5.212 5.532 1.00 0.00 N ATOM 0 H ASN A 38 -5.315 1.481 4.365 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.344 4.234 4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.259 2.899 4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.400 2.468 6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.409 6.034 5.960 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.233 4.944 4.580 1.00 0.00 H new ATOM 518 N TYR A 39 -3.431 3.293 6.456 1.00 0.00 N ATOM 519 CA TYR A 39 -2.468 3.771 7.436 1.00 0.00 C ATOM 520 C TYR A 39 -1.042 3.738 6.894 1.00 0.00 C ATOM 521 O TYR A 39 -0.084 3.868 7.657 1.00 0.00 O ATOM 522 CB TYR A 39 -2.562 2.922 8.706 1.00 0.00 C ATOM 523 CG TYR A 39 -3.962 2.843 9.280 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.448 3.840 10.114 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.798 1.772 8.980 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.728 3.776 10.633 1.00 0.00 C ATOM 527 CE2 TYR A 39 -6.078 1.700 9.496 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.538 2.705 10.321 1.00 0.00 C ATOM 529 OH TYR A 39 -7.815 2.642 10.833 1.00 0.00 O ATOM 0 H TYR A 39 -3.448 2.280 6.335 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.710 4.809 7.664 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.211 1.914 8.486 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.892 3.335 9.460 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.816 4.680 10.362 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.441 0.984 8.333 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.091 4.561 11.280 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.714 0.862 9.255 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.254 1.825 10.517 1.00 0.00 H new ATOM 538 N TYR A 40 -0.894 3.566 5.585 1.00 0.00 N ATOM 539 CA TYR A 40 0.437 3.515 4.984 1.00 0.00 C ATOM 540 C TYR A 40 0.569 4.430 3.770 1.00 0.00 C ATOM 541 O TYR A 40 1.669 4.881 3.454 1.00 0.00 O ATOM 542 CB TYR A 40 0.808 2.077 4.611 1.00 0.00 C ATOM 543 CG TYR A 40 0.905 1.156 5.809 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.793 1.423 6.844 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.098 0.032 5.913 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.875 0.595 7.946 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.174 -0.801 7.015 1.00 0.00 C ATOM 548 CZ TYR A 40 1.064 -0.514 8.029 1.00 0.00 C ATOM 549 OH TYR A 40 1.144 -1.340 9.130 1.00 0.00 O ATOM 0 H TYR A 40 -1.666 3.461 4.926 1.00 0.00 H new ATOM 0 HA TYR A 40 1.135 3.880 5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.063 1.685 3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.763 2.080 4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.430 2.293 6.785 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.600 -0.196 5.121 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.573 0.817 8.740 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.461 -1.672 7.081 1.00 0.00 H new ATOM 0 HH TYR A 40 0.504 -2.076 9.034 1.00 0.00 H new ATOM 558 N ILE A 41 -0.538 4.713 3.106 1.00 0.00 N ATOM 559 CA ILE A 41 -0.529 5.577 1.933 1.00 0.00 C ATOM 560 C ILE A 41 -1.187 6.910 2.259 1.00 0.00 C ATOM 561 O ILE A 41 -2.168 6.958 3.007 1.00 0.00 O ATOM 562 CB ILE A 41 -1.263 4.921 0.740 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.385 3.878 0.053 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.712 5.966 -0.267 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.272 2.578 0.809 1.00 0.00 C ATOM 0 H ILE A 41 -1.460 4.356 3.359 1.00 0.00 H new ATOM 0 HA ILE A 41 0.511 5.738 1.650 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.145 4.420 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.788 3.676 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.613 4.293 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.225 5.477 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.391 6.669 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.843 6.504 -0.646 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.368 1.890 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.160 2.765 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.262 2.138 0.926 1.00 0.00 H new ATOM 576 N GLY A 42 -0.641 7.992 1.715 1.00 0.00 N ATOM 577 CA GLY A 42 -1.201 9.299 1.975 1.00 0.00 C ATOM 578 C GLY A 42 -1.837 9.920 0.750 1.00 0.00 C ATOM 579 O GLY A 42 -1.905 9.297 -0.310 1.00 0.00 O ATOM 0 H GLY A 42 0.175 7.985 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.948 9.218 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.416 9.958 2.345 1.00 0.00 H new ATOM 583 N ASN A 43 -2.275 11.159 0.896 1.00 0.00 N ATOM 584 CA ASN A 43 -2.936 11.878 -0.179 1.00 0.00 C ATOM 585 C ASN A 43 -2.309 13.252 -0.394 1.00 0.00 C ATOM 586 O ASN A 43 -2.501 14.172 0.406 1.00 0.00 O ATOM 587 CB ASN A 43 -4.429 12.009 0.148 1.00 0.00 C ATOM 588 CG ASN A 43 -5.178 12.963 -0.767 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.813 13.169 -1.924 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.247 13.548 -0.247 1.00 0.00 N ATOM 0 H ASN A 43 -2.183 11.693 1.760 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.814 11.318 -1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.892 11.024 0.087 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.537 12.349 1.178 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.799 14.195 -0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.518 13.352 0.717 1.00 0.00 H new ATOM 596 N ASP A 44 -1.535 13.376 -1.461 1.00 0.00 N ATOM 597 CA ASP A 44 -0.904 14.641 -1.805 1.00 0.00 C ATOM 598 C ASP A 44 -1.664 15.281 -2.955 1.00 0.00 C ATOM 599 O ASP A 44 -1.674 14.754 -4.056 1.00 0.00 O ATOM 600 CB ASP A 44 0.564 14.433 -2.182 1.00 0.00 C ATOM 601 CG ASP A 44 1.272 15.732 -2.515 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.277 16.654 -1.668 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.837 15.841 -3.624 1.00 0.00 O ATOM 0 H ASP A 44 -1.328 12.613 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.933 15.301 -0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.081 13.943 -1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.623 13.762 -3.039 1.00 0.00 H new ATOM 607 N ASN A 45 -2.339 16.390 -2.648 1.00 0.00 N ATOM 608 CA ASN A 45 -3.150 17.169 -3.601 1.00 0.00 C ATOM 609 C ASN A 45 -3.999 16.292 -4.536 1.00 0.00 C ATOM 610 O ASN A 45 -4.061 16.504 -5.750 1.00 0.00 O ATOM 611 CB ASN A 45 -2.299 18.214 -4.372 1.00 0.00 C ATOM 612 CG ASN A 45 -1.577 17.720 -5.626 1.00 0.00 C ATOM 613 OD1 ASN A 45 -1.132 16.586 -5.717 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.467 18.590 -6.619 1.00 0.00 N ATOM 0 H ASN A 45 -2.341 16.786 -1.708 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.867 17.728 -3.000 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.951 19.040 -4.657 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.554 18.618 -3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.002 18.319 -7.485 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.847 19.531 -6.517 1.00 0.00 H new ATOM 620 N GLY A 46 -4.682 15.315 -3.949 1.00 0.00 N ATOM 621 CA GLY A 46 -5.548 14.444 -4.723 1.00 0.00 C ATOM 622 C GLY A 46 -4.814 13.303 -5.398 1.00 0.00 C ATOM 623 O GLY A 46 -5.355 12.659 -6.294 1.00 0.00 O ATOM 0 H GLY A 46 -4.651 15.110 -2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.316 14.034 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.060 15.036 -5.482 1.00 0.00 H new ATOM 627 N ARG A 47 -3.589 13.053 -4.977 1.00 0.00 N ATOM 628 CA ARG A 47 -2.783 11.990 -5.556 1.00 0.00 C ATOM 629 C ARG A 47 -2.307 11.015 -4.488 1.00 0.00 C ATOM 630 O ARG A 47 -1.989 11.413 -3.367 1.00 0.00 O ATOM 631 CB ARG A 47 -1.577 12.588 -6.285 1.00 0.00 C ATOM 632 CG ARG A 47 -1.648 12.470 -7.800 1.00 0.00 C ATOM 633 CD ARG A 47 -2.927 13.073 -8.366 1.00 0.00 C ATOM 634 NE ARG A 47 -3.065 14.493 -8.041 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.244 15.447 -8.953 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.172 15.154 -10.248 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.458 16.697 -8.567 1.00 0.00 N ATOM 0 H ARG A 47 -3.126 13.574 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.404 11.443 -6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.489 13.641 -6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.671 12.093 -5.934 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.786 12.970 -8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.587 11.419 -8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.936 12.948 -9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.786 12.528 -7.975 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.022 14.768 -7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.979 14.197 -10.544 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.309 15.886 -10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.485 16.926 -7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.595 17.429 -9.263 1.00 0.00 H new ATOM 648 N LEU A 48 -2.263 9.742 -4.849 1.00 0.00 N ATOM 649 CA LEU A 48 -1.805 8.696 -3.943 1.00 0.00 C ATOM 650 C LEU A 48 -0.309 8.807 -3.746 1.00 0.00 C ATOM 651 O LEU A 48 0.456 8.718 -4.704 1.00 0.00 O ATOM 652 CB LEU A 48 -2.146 7.312 -4.511 1.00 0.00 C ATOM 653 CG LEU A 48 -3.508 6.744 -4.117 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.615 7.715 -4.457 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.740 5.421 -4.818 1.00 0.00 C ATOM 0 H LEU A 48 -2.541 9.405 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.308 8.820 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.098 7.365 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.376 6.610 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.515 6.583 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.575 7.288 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.457 8.650 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.613 7.908 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.713 5.023 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.713 5.571 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.961 4.715 -4.530 1.00 0.00 H new ATOM 666 N GLU A 49 0.110 9.021 -2.515 1.00 0.00 N ATOM 667 CA GLU A 49 1.519 9.139 -2.221 1.00 0.00 C ATOM 668 C GLU A 49 1.987 7.920 -1.436 1.00 0.00 C ATOM 669 O GLU A 49 1.252 7.423 -0.579 1.00 0.00 O ATOM 670 CB GLU A 49 1.791 10.436 -1.451 1.00 0.00 C ATOM 671 CG GLU A 49 1.526 10.355 0.041 1.00 0.00 C ATOM 672 CD GLU A 49 1.731 11.682 0.741 1.00 0.00 C ATOM 673 OE1 GLU A 49 2.893 12.126 0.852 1.00 0.00 O ATOM 674 OE2 GLU A 49 0.736 12.287 1.190 1.00 0.00 O ATOM 0 H GLU A 49 -0.505 9.116 -1.707 1.00 0.00 H new ATOM 0 HA GLU A 49 2.082 9.180 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.831 10.724 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.174 11.229 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.504 10.015 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.186 9.609 0.484 1.00 0.00 H new ATOM 679 N TYR A 50 3.176 7.420 -1.773 1.00 0.00 N ATOM 680 CA TYR A 50 3.753 6.252 -1.116 1.00 0.00 C ATOM 681 C TYR A 50 3.564 6.242 0.299 1.00 0.00 C ATOM 682 O TYR A 50 2.814 5.392 0.781 1.00 0.00 O ATOM 683 CB TYR A 50 5.224 5.986 -1.460 1.00 0.00 C ATOM 684 CG TYR A 50 5.962 7.079 -2.229 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.574 7.454 -3.507 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.071 7.713 -1.676 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.255 8.425 -4.210 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.756 8.690 -2.372 1.00 0.00 C ATOM 689 CZ TYR A 50 7.341 9.042 -3.638 1.00 0.00 C ATOM 690 OH TYR A 50 8.019 10.013 -4.336 1.00 0.00 O ATOM 0 H TYR A 50 3.764 7.814 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 50 3.179 5.427 -1.537 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.762 5.803 -0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.275 5.067 -2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.719 6.975 -3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.402 7.436 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.936 8.699 -5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.612 9.175 -1.927 1.00 0.00 H new ATOM 0 HH TYR A 50 8.760 10.350 -3.791 1.00 0.00 H new ATOM 699 N PRO A 51 4.160 7.077 1.057 1.00 0.00 N ATOM 700 CA PRO A 51 3.915 6.897 2.365 1.00 0.00 C ATOM 701 C PRO A 51 3.100 7.995 2.978 1.00 0.00 C ATOM 702 O PRO A 51 3.464 9.174 2.975 1.00 0.00 O ATOM 703 CB PRO A 51 5.292 6.829 2.862 1.00 0.00 C ATOM 704 CG PRO A 51 6.014 7.904 2.079 1.00 0.00 C ATOM 705 CD PRO A 51 5.184 8.091 0.827 1.00 0.00 C ATOM 0 HA PRO A 51 3.302 6.028 2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.339 7.016 3.935 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.731 5.846 2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.084 8.830 2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.033 7.601 1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.768 9.095 0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.755 7.910 -0.084 1.00 0.00 H new ATOM 710 N GLY A 52 2.022 7.589 3.530 1.00 0.00 N ATOM 711 CA GLY A 52 1.125 8.527 4.109 1.00 0.00 C ATOM 712 C GLY A 52 0.206 7.918 5.129 1.00 0.00 C ATOM 713 O GLY A 52 0.475 6.833 5.643 1.00 0.00 O ATOM 0 H GLY A 52 1.733 6.613 3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.699 9.326 4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.528 8.984 3.319 1.00 0.00 H new ATOM 717 N GLU A 53 -0.885 8.618 5.406 1.00 0.00 N ATOM 718 CA GLU A 53 -1.872 8.173 6.378 1.00 0.00 C ATOM 719 C GLU A 53 -3.233 8.801 6.095 1.00 0.00 C ATOM 720 O GLU A 53 -3.320 9.951 5.657 1.00 0.00 O ATOM 721 CB GLU A 53 -1.431 8.536 7.802 1.00 0.00 C ATOM 722 CG GLU A 53 -0.289 7.688 8.328 1.00 0.00 C ATOM 723 CD GLU A 53 0.281 8.207 9.625 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.391 8.088 10.667 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.413 8.737 9.608 1.00 0.00 O ATOM 0 H GLU A 53 -1.110 9.509 4.964 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.956 7.090 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.132 9.584 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.284 8.435 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.640 6.666 8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.502 7.649 7.579 1.00 0.00 H new ATOM 730 N SER A 54 -4.279 8.023 6.343 1.00 0.00 N ATOM 731 CA SER A 54 -5.656 8.449 6.167 1.00 0.00 C ATOM 732 C SER A 54 -5.962 8.925 4.743 1.00 0.00 C ATOM 733 O SER A 54 -6.666 9.916 4.557 1.00 0.00 O ATOM 734 CB SER A 54 -5.985 9.548 7.175 1.00 0.00 C ATOM 735 OG SER A 54 -5.600 9.166 8.489 1.00 0.00 O ATOM 0 H SER A 54 -4.190 7.063 6.677 1.00 0.00 H new ATOM 0 HA SER A 54 -6.287 7.577 6.342 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.472 10.468 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.054 9.759 7.152 1.00 0.00 H new ATOM 0 HG SER A 54 -5.819 9.886 9.116 1.00 0.00 H new ATOM 740 N PHE A 55 -5.448 8.231 3.733 1.00 0.00 N ATOM 741 CA PHE A 55 -5.738 8.625 2.358 1.00 0.00 C ATOM 742 C PHE A 55 -7.191 8.279 2.036 1.00 0.00 C ATOM 743 O PHE A 55 -7.914 9.078 1.454 1.00 0.00 O ATOM 744 CB PHE A 55 -4.784 7.955 1.345 1.00 0.00 C ATOM 745 CG PHE A 55 -5.134 6.539 0.980 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.820 5.489 1.824 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.777 6.261 -0.218 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.141 4.191 1.483 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.099 4.964 -0.562 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.781 3.927 0.290 1.00 0.00 C ATOM 0 H PHE A 55 -4.845 7.415 3.834 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.582 9.700 2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.766 8.555 0.435 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.775 7.969 1.756 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.318 5.687 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.028 7.069 -0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.891 3.380 2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.599 4.761 -1.497 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.032 2.911 0.024 1.00 0.00 H new ATOM 759 N GLY A 56 -7.630 7.113 2.514 1.00 0.00 N ATOM 760 CA GLY A 56 -8.984 6.636 2.255 1.00 0.00 C ATOM 761 C GLY A 56 -10.044 7.575 2.780 1.00 0.00 C ATOM 762 O GLY A 56 -11.196 7.525 2.356 1.00 0.00 O ATOM 0 H GLY A 56 -7.064 6.483 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.120 6.506 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.113 5.656 2.714 1.00 0.00 H new ATOM 766 N SER A 57 -9.640 8.434 3.698 1.00 0.00 N ATOM 767 CA SER A 57 -10.527 9.407 4.296 1.00 0.00 C ATOM 768 C SER A 57 -11.011 10.422 3.253 1.00 0.00 C ATOM 769 O SER A 57 -12.073 11.021 3.408 1.00 0.00 O ATOM 770 CB SER A 57 -9.784 10.091 5.437 1.00 0.00 C ATOM 771 OG SER A 57 -9.427 9.146 6.433 1.00 0.00 O ATOM 0 H SER A 57 -8.683 8.474 4.049 1.00 0.00 H new ATOM 0 HA SER A 57 -11.416 8.911 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.889 10.581 5.054 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.411 10.869 5.873 1.00 0.00 H new ATOM 0 HG SER A 57 -9.247 9.612 7.276 1.00 0.00 H new ATOM 776 N SER A 58 -10.231 10.595 2.188 1.00 0.00 N ATOM 777 CA SER A 58 -10.590 11.518 1.117 1.00 0.00 C ATOM 778 C SER A 58 -10.284 10.904 -0.248 1.00 0.00 C ATOM 779 O SER A 58 -10.080 11.619 -1.234 1.00 0.00 O ATOM 780 CB SER A 58 -9.845 12.844 1.281 1.00 0.00 C ATOM 781 OG SER A 58 -10.176 13.468 2.511 1.00 0.00 O ATOM 0 H SER A 58 -9.347 10.107 2.045 1.00 0.00 H new ATOM 0 HA SER A 58 -11.661 11.711 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.770 12.668 1.237 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.094 13.509 0.454 1.00 0.00 H new ATOM 0 HG SER A 58 -9.685 14.312 2.592 1.00 0.00 H new ATOM 786 N CYS A 59 -10.260 9.576 -0.298 1.00 0.00 N ATOM 787 CA CYS A 59 -9.986 8.858 -1.530 1.00 0.00 C ATOM 788 C CYS A 59 -11.023 7.770 -1.748 1.00 0.00 C ATOM 789 O CYS A 59 -11.450 7.112 -0.799 1.00 0.00 O ATOM 790 CB CYS A 59 -8.599 8.223 -1.488 1.00 0.00 C ATOM 791 SG CYS A 59 -7.231 9.399 -1.256 1.00 0.00 S ATOM 0 H CYS A 59 -10.429 8.975 0.509 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.028 9.573 -2.351 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.573 7.493 -0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.436 7.676 -2.417 1.00 0.00 H new ATOM 795 N VAL A 60 -11.426 7.583 -2.994 1.00 0.00 N ATOM 796 CA VAL A 60 -12.408 6.568 -3.340 1.00 0.00 C ATOM 797 C VAL A 60 -11.949 5.780 -4.561 1.00 0.00 C ATOM 798 O VAL A 60 -10.944 6.132 -5.184 1.00 0.00 O ATOM 799 CB VAL A 60 -13.793 7.179 -3.636 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.384 7.825 -2.391 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.703 8.186 -4.774 1.00 0.00 C ATOM 0 H VAL A 60 -11.085 8.125 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.498 5.908 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.458 6.372 -3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.360 8.247 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.494 7.074 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.721 8.617 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.690 8.606 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.016 8.986 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.338 7.688 -5.672 1.00 0.00 H new ATOM 811 N LYS A 61 -12.691 4.722 -4.890 1.00 0.00 N ATOM 812 CA LYS A 61 -12.384 3.868 -6.038 1.00 0.00 C ATOM 813 C LYS A 61 -11.046 3.161 -5.847 1.00 0.00 C ATOM 814 O LYS A 61 -10.232 3.081 -6.767 1.00 0.00 O ATOM 815 CB LYS A 61 -12.390 4.668 -7.350 1.00 0.00 C ATOM 816 CG LYS A 61 -13.772 4.847 -7.971 1.00 0.00 C ATOM 817 CD LYS A 61 -14.718 5.609 -7.056 1.00 0.00 C ATOM 818 CE LYS A 61 -16.114 5.704 -7.652 1.00 0.00 C ATOM 819 NZ LYS A 61 -17.052 6.428 -6.751 1.00 0.00 N ATOM 0 H LYS A 61 -13.520 4.433 -4.370 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.167 3.112 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.958 5.651 -7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.743 4.167 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.677 5.379 -8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.197 3.869 -8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.768 5.112 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.327 6.611 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.065 6.216 -8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.496 4.701 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.993 6.472 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.119 5.925 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.701 7.393 -6.588 1.00 0.00 H new ATOM 829 N THR A 62 -10.832 2.659 -4.640 1.00 0.00 N ATOM 830 CA THR A 62 -9.609 1.942 -4.308 1.00 0.00 C ATOM 831 C THR A 62 -9.536 0.600 -5.033 1.00 0.00 C ATOM 832 O THR A 62 -10.445 -0.227 -4.929 1.00 0.00 O ATOM 833 CB THR A 62 -9.509 1.701 -2.792 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.792 1.335 -2.266 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.997 2.933 -2.064 1.00 0.00 C ATOM 0 H THR A 62 -11.495 2.736 -3.869 1.00 0.00 H new ATOM 0 HA THR A 62 -8.775 2.565 -4.632 1.00 0.00 H new ATOM 0 HB THR A 62 -8.799 0.889 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.824 1.541 -1.308 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.939 2.726 -0.995 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.006 3.191 -2.438 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.678 3.767 -2.236 1.00 0.00 H new ATOM 843 N ALA A 63 -8.457 0.394 -5.774 1.00 0.00 N ATOM 844 CA ALA A 63 -8.257 -0.840 -6.519 1.00 0.00 C ATOM 845 C ALA A 63 -6.770 -1.094 -6.708 1.00 0.00 C ATOM 846 O ALA A 63 -5.972 -0.161 -6.667 1.00 0.00 O ATOM 847 CB ALA A 63 -8.962 -0.774 -7.866 1.00 0.00 C ATOM 0 H ALA A 63 -7.701 1.071 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.687 -1.666 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.800 -1.706 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.031 -0.625 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.561 0.057 -8.446 1.00 0.00 H new ATOM 853 N LEU A 64 -6.400 -2.344 -6.910 1.00 0.00 N ATOM 854 CA LEU A 64 -5.005 -2.704 -7.099 1.00 0.00 C ATOM 855 C LEU A 64 -4.754 -3.143 -8.538 1.00 0.00 C ATOM 856 O LEU A 64 -5.360 -4.104 -9.014 1.00 0.00 O ATOM 857 CB LEU A 64 -4.620 -3.822 -6.124 1.00 0.00 C ATOM 858 CG LEU A 64 -3.529 -3.466 -5.112 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.176 -3.382 -5.787 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.845 -2.152 -4.425 1.00 0.00 C ATOM 0 H LEU A 64 -7.048 -3.131 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.386 -1.829 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.512 -4.127 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.289 -4.685 -6.701 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.497 -4.257 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.416 -3.128 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.935 -4.344 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.202 -2.614 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.057 -1.917 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.908 -1.358 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.798 -2.235 -3.902 1.00 0.00 H new ATOM 871 N ASN A 65 -3.863 -2.442 -9.229 1.00 0.00 N ATOM 872 CA ASN A 65 -3.542 -2.775 -10.608 1.00 0.00 C ATOM 873 C ASN A 65 -2.441 -3.805 -10.620 1.00 0.00 C ATOM 874 O ASN A 65 -1.368 -3.581 -10.044 1.00 0.00 O ATOM 875 CB ASN A 65 -3.083 -1.547 -11.392 1.00 0.00 C ATOM 876 CG ASN A 65 -3.271 -1.702 -12.892 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.253 -2.811 -13.428 1.00 0.00 O ATOM 878 ND2 ASN A 65 -3.448 -0.587 -13.584 1.00 0.00 N ATOM 0 H ASN A 65 -3.352 -1.642 -8.857 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.443 -3.164 -11.083 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.639 -0.674 -11.049 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.031 -1.359 -11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.575 -0.629 -14.595 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.457 0.314 -13.106 1.00 0.00 H new ATOM 884 N ASP A 66 -2.742 -4.944 -11.228 1.00 0.00 N ATOM 885 CA ASP A 66 -1.809 -6.068 -11.355 1.00 0.00 C ATOM 886 C ASP A 66 -1.512 -6.735 -10.006 1.00 0.00 C ATOM 887 O ASP A 66 -1.183 -7.920 -9.949 1.00 0.00 O ATOM 888 CB ASP A 66 -0.511 -5.596 -12.011 1.00 0.00 C ATOM 889 CG ASP A 66 0.446 -6.734 -12.303 1.00 0.00 C ATOM 890 OD1 ASP A 66 0.312 -7.370 -13.366 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.334 -6.997 -11.469 1.00 0.00 O ATOM 0 H ASP A 66 -3.652 -5.121 -11.654 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.285 -6.819 -11.985 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.746 -5.078 -12.940 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.021 -4.873 -11.358 1.00 0.00 H new ATOM 895 N GLY A 67 -1.651 -5.976 -8.930 1.00 0.00 N ATOM 896 CA GLY A 67 -1.386 -6.494 -7.608 1.00 0.00 C ATOM 897 C GLY A 67 -0.137 -5.884 -7.010 1.00 0.00 C ATOM 898 O GLY A 67 0.460 -6.448 -6.099 1.00 0.00 O ATOM 0 H GLY A 67 -1.946 -5.000 -8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.238 -6.290 -6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.275 -7.577 -7.657 1.00 0.00 H new ATOM 902 N HIS A 68 0.246 -4.714 -7.516 1.00 0.00 N ATOM 903 CA HIS A 68 1.442 -4.029 -7.027 1.00 0.00 C ATOM 904 C HIS A 68 1.257 -2.510 -6.982 1.00 0.00 C ATOM 905 O HIS A 68 1.974 -1.809 -6.269 1.00 0.00 O ATOM 906 CB HIS A 68 2.682 -4.401 -7.870 1.00 0.00 C ATOM 907 CG HIS A 68 2.589 -4.122 -9.355 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.402 -4.744 -10.279 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.804 -3.279 -10.069 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.124 -4.292 -11.488 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.157 -3.404 -11.388 1.00 0.00 N ATOM 0 H HIS A 68 -0.250 -4.222 -8.259 1.00 0.00 H new ATOM 0 HA HIS A 68 1.605 -4.369 -6.004 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.541 -3.860 -7.473 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.883 -5.463 -7.733 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.040 -2.628 -9.672 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.608 -4.599 -12.404 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.739 -2.892 -12.165 1.00 0.00 H new ATOM 919 N THR A 69 0.295 -2.009 -7.739 1.00 0.00 N ATOM 920 CA THR A 69 0.029 -0.589 -7.802 1.00 0.00 C ATOM 921 C THR A 69 -1.364 -0.265 -7.281 1.00 0.00 C ATOM 922 O THR A 69 -2.345 -0.854 -7.716 1.00 0.00 O ATOM 923 CB THR A 69 0.148 -0.110 -9.256 1.00 0.00 C ATOM 924 OG1 THR A 69 1.504 -0.218 -9.708 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.359 1.309 -9.415 1.00 0.00 C ATOM 0 H THR A 69 -0.319 -2.576 -8.324 1.00 0.00 H new ATOM 0 HA THR A 69 0.760 -0.078 -7.175 1.00 0.00 H new ATOM 0 HB THR A 69 -0.478 -0.754 -9.874 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.982 0.615 -9.511 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.260 1.616 -10.456 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.408 1.356 -9.121 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.225 1.977 -8.783 1.00 0.00 H new ATOM 933 N LEU A 70 -1.451 0.657 -6.344 1.00 0.00 N ATOM 934 CA LEU A 70 -2.743 1.061 -5.810 1.00 0.00 C ATOM 935 C LEU A 70 -3.284 2.225 -6.622 1.00 0.00 C ATOM 936 O LEU A 70 -2.587 3.202 -6.862 1.00 0.00 O ATOM 937 CB LEU A 70 -2.641 1.439 -4.327 1.00 0.00 C ATOM 938 CG LEU A 70 -3.809 2.260 -3.760 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.116 1.485 -3.825 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.512 2.678 -2.329 1.00 0.00 C ATOM 0 H LEU A 70 -0.650 1.140 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.429 0.217 -5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.550 0.522 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.720 2.003 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.921 3.153 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.921 2.095 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.340 1.236 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.024 0.568 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.348 3.259 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.368 1.790 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.607 3.285 -2.308 1.00 0.00 H new ATOM 951 N THR A 71 -4.517 2.093 -7.060 1.00 0.00 N ATOM 952 CA THR A 71 -5.169 3.117 -7.848 1.00 0.00 C ATOM 953 C THR A 71 -6.414 3.620 -7.140 1.00 0.00 C ATOM 954 O THR A 71 -7.234 2.828 -6.675 1.00 0.00 O ATOM 955 CB THR A 71 -5.558 2.586 -9.239 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.709 1.159 -9.197 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.519 2.969 -10.273 1.00 0.00 C ATOM 0 H THR A 71 -5.096 1.273 -6.880 1.00 0.00 H new ATOM 0 HA THR A 71 -4.461 3.937 -7.970 1.00 0.00 H new ATOM 0 HB THR A 71 -6.508 3.038 -9.525 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.218 0.907 -8.399 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.816 2.582 -11.248 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.438 4.055 -10.323 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.554 2.546 -9.994 1.00 0.00 H new ATOM 965 N ALA A 72 -6.530 4.932 -7.033 1.00 0.00 N ATOM 966 CA ALA A 72 -7.684 5.550 -6.390 1.00 0.00 C ATOM 967 C ALA A 72 -7.791 7.023 -6.768 1.00 0.00 C ATOM 968 O ALA A 72 -6.848 7.607 -7.307 1.00 0.00 O ATOM 969 CB ALA A 72 -7.597 5.395 -4.877 1.00 0.00 C ATOM 0 H ALA A 72 -5.838 5.595 -7.383 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.582 5.041 -6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.466 5.862 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.574 4.336 -4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.689 5.876 -4.514 1.00 0.00 H new ATOM 975 N SER A 73 -8.944 7.611 -6.499 1.00 0.00 N ATOM 976 CA SER A 73 -9.182 9.016 -6.794 1.00 0.00 C ATOM 977 C SER A 73 -9.262 9.779 -5.483 1.00 0.00 C ATOM 978 O SER A 73 -10.047 9.423 -4.600 1.00 0.00 O ATOM 979 CB SER A 73 -10.477 9.180 -7.592 1.00 0.00 C ATOM 980 OG SER A 73 -10.657 10.518 -8.019 1.00 0.00 O ATOM 0 H SER A 73 -9.738 7.133 -6.073 1.00 0.00 H new ATOM 0 HA SER A 73 -8.365 9.411 -7.398 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.458 8.520 -8.459 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.325 8.875 -6.978 1.00 0.00 H new ATOM 0 HG SER A 73 -11.557 10.820 -7.777 1.00 0.00 H new ATOM 985 N CYS A 74 -8.453 10.814 -5.347 1.00 0.00 N ATOM 986 CA CYS A 74 -8.423 11.582 -4.114 1.00 0.00 C ATOM 987 C CYS A 74 -8.706 13.053 -4.338 1.00 0.00 C ATOM 988 O CYS A 74 -8.381 13.616 -5.384 1.00 0.00 O ATOM 989 CB CYS A 74 -7.058 11.441 -3.456 1.00 0.00 C ATOM 990 SG CYS A 74 -6.568 9.729 -3.135 1.00 0.00 S ATOM 0 H CYS A 74 -7.812 11.141 -6.069 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.208 11.183 -3.472 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.308 11.909 -4.094 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.062 11.990 -2.514 1.00 0.00 H new ATOM 994 N LYS A 75 -9.334 13.660 -3.346 1.00 0.00 N ATOM 995 CA LYS A 75 -9.632 15.077 -3.374 1.00 0.00 C ATOM 996 C LYS A 75 -8.590 15.818 -2.543 1.00 0.00 C ATOM 997 O LYS A 75 -8.108 15.292 -1.540 1.00 0.00 O ATOM 998 CB LYS A 75 -11.052 15.338 -2.841 1.00 0.00 C ATOM 999 CG LYS A 75 -11.354 16.804 -2.559 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.141 17.140 -1.091 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.090 18.637 -0.855 1.00 0.00 C ATOM 1002 NZ LYS A 75 -11.075 18.973 0.594 1.00 0.00 N ATOM 0 H LYS A 75 -9.650 13.184 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.594 15.441 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.775 14.963 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.194 14.766 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.713 17.435 -3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.384 17.026 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.947 16.706 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.212 16.686 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.201 19.049 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.952 19.108 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.040 20.006 0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.936 18.603 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.239 18.546 1.041 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.230 17.023 -2.960 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.255 17.785 -2.206 1.00 0.00 C ATOM 1014 C GLY A 76 -6.441 18.727 -3.061 1.00 0.00 C ATOM 1015 O GLY A 76 -5.782 19.625 -2.543 1.00 0.00 O ATOM 0 H GLY A 76 -8.590 17.483 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.770 18.358 -1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.582 17.096 -1.695 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.465 18.513 -4.369 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.734 19.372 -5.295 1.00 0.00 C ATOM 1021 C ALA A 77 -6.213 20.815 -5.186 1.00 0.00 C ATOM 1022 O ALA A 77 -5.415 21.750 -5.230 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.891 18.866 -6.718 1.00 0.00 C ATOM 0 H ALA A 77 -6.981 17.754 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.677 19.343 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.341 19.516 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.499 17.851 -6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.947 18.867 -6.990 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.523 20.971 -5.029 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.156 22.284 -4.897 1.00 0.00 C ATOM 1031 C ASP A 78 -9.662 22.093 -4.761 1.00 0.00 C ATOM 1032 O ASP A 78 -10.441 22.540 -5.601 1.00 0.00 O ATOM 1033 CB ASP A 78 -7.840 23.179 -6.105 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.244 24.629 -5.890 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -7.510 25.358 -5.186 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.285 25.050 -6.429 1.00 0.00 O ATOM 0 H ASP A 78 -8.179 20.191 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.762 22.780 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.772 23.132 -6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.355 22.790 -6.983 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.061 21.374 -3.716 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.472 21.107 -3.480 1.00 0.00 C ATOM 1042 C GLY A 79 -12.057 20.138 -4.489 1.00 0.00 C ATOM 1043 O GLY A 79 -13.254 19.862 -4.481 1.00 0.00 O ATOM 0 H GLY A 79 -9.430 20.969 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.599 20.702 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.027 22.044 -3.517 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.202 19.617 -5.356 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.616 18.672 -6.379 1.00 0.00 C ATOM 1049 C GLN A 80 -10.785 17.401 -6.276 1.00 0.00 C ATOM 1050 O GLN A 80 -9.746 17.386 -5.601 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.475 19.299 -7.768 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.057 19.714 -8.123 1.00 0.00 C ATOM 1053 CD GLN A 80 -9.966 20.315 -9.512 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -10.744 19.969 -10.404 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.019 21.219 -9.706 1.00 0.00 N ATOM 0 H GLN A 80 -10.206 19.837 -5.370 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.664 18.416 -6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.831 18.588 -8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.123 20.173 -7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.699 20.438 -7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.400 18.846 -8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.396 21.477 -8.941 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.912 21.658 -10.621 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.240 16.344 -6.935 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.545 15.064 -6.900 1.00 0.00 C ATOM 1064 C TYR A 81 -9.956 14.711 -8.261 1.00 0.00 C ATOM 1065 O TYR A 81 -10.307 15.314 -9.277 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.490 13.947 -6.432 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.689 13.725 -7.327 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.610 12.875 -8.421 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -13.899 14.355 -7.071 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.698 12.659 -9.237 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -14.995 14.146 -7.885 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.889 13.295 -8.966 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.981 13.076 -9.778 1.00 0.00 O ATOM 0 H TYR A 81 -12.088 16.348 -7.501 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.725 15.157 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.926 13.017 -6.363 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.841 14.182 -5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.678 12.374 -8.636 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -13.985 15.018 -6.223 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.618 11.995 -10.085 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.930 14.646 -7.677 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.743 13.598 -9.450 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.075 13.721 -8.268 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.425 13.265 -9.488 1.00 0.00 C ATOM 1084 C HIS A 82 -7.919 11.843 -9.272 1.00 0.00 C ATOM 1085 O HIS A 82 -7.498 11.491 -8.170 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.254 14.191 -9.842 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.823 14.126 -11.281 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -6.734 15.239 -12.092 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -6.447 13.077 -12.050 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -6.327 14.874 -13.294 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -6.146 13.568 -13.292 1.00 0.00 N ATOM 0 H HIS A 82 -8.791 13.212 -7.431 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.138 13.282 -10.312 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.534 15.217 -9.605 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.403 13.939 -9.209 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.394 12.044 -11.741 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.169 15.533 -14.135 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.832 13.013 -14.088 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.974 11.030 -10.314 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.515 9.651 -10.229 1.00 0.00 C ATOM 1101 C ASP A 83 -5.992 9.602 -10.253 1.00 0.00 C ATOM 1102 O ASP A 83 -5.346 10.392 -10.945 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.085 8.811 -11.380 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.474 9.158 -12.726 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -7.919 10.148 -13.351 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -6.549 8.439 -13.167 1.00 0.00 O ATOM 0 H ASP A 83 -8.332 11.300 -11.230 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.872 9.231 -9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.914 7.755 -11.171 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.164 8.956 -11.429 1.00 0.00 H new ATOM 1110 N SER A 84 -5.422 8.698 -9.478 1.00 0.00 N ATOM 1111 CA SER A 84 -3.979 8.553 -9.417 1.00 0.00 C ATOM 1112 C SER A 84 -3.605 7.134 -9.023 1.00 0.00 C ATOM 1113 O SER A 84 -4.476 6.317 -8.706 1.00 0.00 O ATOM 1114 CB SER A 84 -3.393 9.552 -8.421 1.00 0.00 C ATOM 1115 OG SER A 84 -4.024 9.446 -7.158 1.00 0.00 O ATOM 0 H SER A 84 -5.937 8.052 -8.881 1.00 0.00 H new ATOM 0 HA SER A 84 -3.565 8.757 -10.404 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.323 9.375 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.511 10.565 -8.806 1.00 0.00 H new ATOM 0 HG SER A 84 -4.786 10.061 -7.120 1.00 0.00 H new ATOM 1120 N SER A 85 -2.317 6.842 -9.040 1.00 0.00 N ATOM 1121 CA SER A 85 -1.842 5.520 -8.684 1.00 0.00 C ATOM 1122 C SER A 85 -0.561 5.613 -7.876 1.00 0.00 C ATOM 1123 O SER A 85 0.175 6.600 -7.960 1.00 0.00 O ATOM 1124 CB SER A 85 -1.589 4.679 -9.928 1.00 0.00 C ATOM 1125 OG SER A 85 -2.241 5.223 -11.069 1.00 0.00 O ATOM 0 H SER A 85 -1.583 7.502 -9.296 1.00 0.00 H new ATOM 0 HA SER A 85 -2.616 5.042 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.517 4.619 -10.115 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.941 3.661 -9.758 1.00 0.00 H new ATOM 0 HG SER A 85 -2.057 4.661 -11.850 1.00 0.00 H new ATOM 1130 N MET A 86 -0.296 4.578 -7.105 1.00 0.00 N ATOM 1131 CA MET A 86 0.884 4.523 -6.278 1.00 0.00 C ATOM 1132 C MET A 86 1.474 3.123 -6.279 1.00 0.00 C ATOM 1133 O MET A 86 0.792 2.152 -5.948 1.00 0.00 O ATOM 1134 CB MET A 86 0.532 4.951 -4.856 1.00 0.00 C ATOM 1135 CG MET A 86 1.671 4.796 -3.860 1.00 0.00 C ATOM 1136 SD MET A 86 3.261 5.322 -4.536 1.00 0.00 S ATOM 1137 CE MET A 86 2.846 6.932 -5.205 1.00 0.00 C ATOM 0 H MET A 86 -0.894 3.754 -7.037 1.00 0.00 H new ATOM 0 HA MET A 86 1.632 5.205 -6.683 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.215 5.994 -4.870 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.320 4.364 -4.512 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.449 5.380 -2.966 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.739 3.753 -3.551 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.708 7.340 -5.733 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.010 6.834 -5.897 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.568 7.603 -4.392 1.00 0.00 H new ATOM 1145 N ASP A 87 2.735 3.022 -6.666 1.00 0.00 N ATOM 1146 CA ASP A 87 3.418 1.749 -6.697 1.00 0.00 C ATOM 1147 C ASP A 87 3.789 1.339 -5.288 1.00 0.00 C ATOM 1148 O ASP A 87 4.715 1.885 -4.688 1.00 0.00 O ATOM 1149 CB ASP A 87 4.672 1.826 -7.563 1.00 0.00 C ATOM 1150 CG ASP A 87 4.364 2.168 -9.001 1.00 0.00 C ATOM 1151 OD1 ASP A 87 3.672 1.373 -9.669 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.822 3.226 -9.472 1.00 0.00 O ATOM 0 H ASP A 87 3.305 3.814 -6.964 1.00 0.00 H new ATOM 0 HA ASP A 87 2.749 1.005 -7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.348 2.576 -7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.195 0.870 -7.525 1.00 0.00 H new ATOM 1156 N LEU A 88 3.064 0.367 -4.773 1.00 0.00 N ATOM 1157 CA LEU A 88 3.284 -0.135 -3.426 1.00 0.00 C ATOM 1158 C LEU A 88 4.554 -0.964 -3.389 1.00 0.00 C ATOM 1159 O LEU A 88 5.016 -1.371 -2.324 1.00 0.00 O ATOM 1160 CB LEU A 88 2.090 -0.974 -2.976 1.00 0.00 C ATOM 1161 CG LEU A 88 0.714 -0.389 -3.308 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.385 -1.305 -2.798 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.572 1.005 -2.711 1.00 0.00 C ATOM 0 H LEU A 88 2.306 -0.098 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 88 3.392 0.708 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.167 -1.960 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.154 -1.118 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 88 0.620 -0.309 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.357 -0.877 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.291 -2.283 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.296 -1.413 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.411 1.407 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.682 0.950 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.343 1.657 -3.122 1.00 0.00 H new ATOM 1174 N ASN A 89 5.089 -1.224 -4.571 1.00 0.00 N ATOM 1175 CA ASN A 89 6.323 -1.991 -4.730 1.00 0.00 C ATOM 1176 C ASN A 89 7.421 -1.503 -3.783 1.00 0.00 C ATOM 1177 O ASN A 89 8.249 -2.289 -3.326 1.00 0.00 O ATOM 1178 CB ASN A 89 6.816 -1.908 -6.178 1.00 0.00 C ATOM 1179 CG ASN A 89 5.937 -2.676 -7.145 1.00 0.00 C ATOM 1180 OD1 ASN A 89 4.967 -2.141 -7.680 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.282 -3.933 -7.387 1.00 0.00 N ATOM 0 H ASN A 89 4.682 -0.910 -5.452 1.00 0.00 H new ATOM 0 HA ASN A 89 6.098 -3.027 -4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.856 -0.862 -6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.833 -2.296 -6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.735 -4.495 -8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.094 -4.338 -6.921 1.00 0.00 H new ATOM 1187 N TYR A 90 7.417 -0.215 -3.465 1.00 0.00 N ATOM 1188 CA TYR A 90 8.419 0.335 -2.566 1.00 0.00 C ATOM 1189 C TYR A 90 7.778 0.943 -1.323 1.00 0.00 C ATOM 1190 O TYR A 90 8.361 1.816 -0.675 1.00 0.00 O ATOM 1191 CB TYR A 90 9.305 1.361 -3.285 1.00 0.00 C ATOM 1192 CG TYR A 90 8.553 2.419 -4.066 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.082 3.571 -3.447 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.333 2.271 -5.429 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.414 4.542 -4.167 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.663 3.237 -6.154 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.207 4.369 -5.518 1.00 0.00 C ATOM 1198 OH TYR A 90 6.549 5.340 -6.238 1.00 0.00 O ATOM 0 H TYR A 90 6.738 0.462 -3.813 1.00 0.00 H new ATOM 0 HA TYR A 90 9.055 -0.489 -2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.936 1.856 -2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.969 0.831 -3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.241 3.709 -2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.692 1.385 -5.931 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.055 5.433 -3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.498 3.105 -7.213 1.00 0.00 H new ATOM 0 HH TYR A 90 6.190 6.015 -5.625 1.00 0.00 H new ATOM 1207 N VAL A 91 6.571 0.485 -0.994 1.00 0.00 N ATOM 1208 CA VAL A 91 5.874 0.982 0.188 1.00 0.00 C ATOM 1209 C VAL A 91 5.405 -0.184 1.065 1.00 0.00 C ATOM 1210 O VAL A 91 4.949 0.013 2.193 1.00 0.00 O ATOM 1211 CB VAL A 91 4.686 1.920 -0.171 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.003 2.754 -1.388 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.379 1.185 -0.378 1.00 0.00 C ATOM 0 H VAL A 91 6.061 -0.222 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 91 6.587 1.583 0.752 1.00 0.00 H new ATOM 0 HB VAL A 91 4.552 2.570 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.156 3.400 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.883 3.366 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.199 2.099 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.595 1.900 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.489 0.470 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.111 0.654 0.536 1.00 0.00 H new ATOM 1223 N VAL A 92 5.554 -1.402 0.545 1.00 0.00 N ATOM 1224 CA VAL A 92 5.161 -2.606 1.269 1.00 0.00 C ATOM 1225 C VAL A 92 5.923 -3.831 0.753 1.00 0.00 C ATOM 1226 O VAL A 92 6.180 -3.959 -0.450 1.00 0.00 O ATOM 1227 CB VAL A 92 3.635 -2.849 1.174 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.190 -3.001 -0.266 1.00 0.00 C ATOM 1229 CG2 VAL A 92 3.211 -4.055 2.002 1.00 0.00 C ATOM 0 H VAL A 92 5.946 -1.579 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 92 5.418 -2.452 2.317 1.00 0.00 H new ATOM 0 HB VAL A 92 3.141 -1.970 1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.114 -3.170 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.431 -2.093 -0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.704 -3.849 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.134 -4.197 1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.726 -4.945 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.470 -3.888 3.048 1.00 0.00 H new ATOM 1239 N GLY A 93 6.299 -4.718 1.669 1.00 0.00 N ATOM 1240 CA GLY A 93 7.025 -5.917 1.296 1.00 0.00 C ATOM 1241 C GLY A 93 6.481 -7.153 1.982 1.00 0.00 C ATOM 1242 O GLY A 93 5.470 -7.082 2.684 1.00 0.00 O ATOM 0 H GLY A 93 6.112 -4.626 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.972 -6.050 0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.078 -5.796 1.551 1.00 0.00 H new ATOM 1246 N ASN A 94 7.149 -8.279 1.780 1.00 0.00 N ATOM 1247 CA ASN A 94 6.730 -9.545 2.374 1.00 0.00 C ATOM 1248 C ASN A 94 7.895 -10.231 3.074 1.00 0.00 C ATOM 1249 O ASN A 94 8.989 -10.340 2.522 1.00 0.00 O ATOM 1250 CB ASN A 94 6.166 -10.487 1.304 1.00 0.00 C ATOM 1251 CG ASN A 94 5.855 -11.874 1.850 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.416 -12.031 2.989 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.103 -12.896 1.045 1.00 0.00 N ATOM 0 H ASN A 94 7.989 -8.344 1.206 1.00 0.00 H new ATOM 0 HA ASN A 94 5.954 -9.321 3.106 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.258 -10.053 0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.883 -10.574 0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.930 -13.850 1.363 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.467 -12.730 0.107 1.00 0.00 H new ATOM 1259 N SER A 95 7.646 -10.696 4.287 1.00 0.00 N ATOM 1260 CA SER A 95 8.651 -11.387 5.068 1.00 0.00 C ATOM 1261 C SER A 95 8.022 -12.528 5.850 1.00 0.00 C ATOM 1262 O SER A 95 7.214 -12.303 6.748 1.00 0.00 O ATOM 1263 CB SER A 95 9.354 -10.417 6.012 1.00 0.00 C ATOM 1264 OG SER A 95 10.428 -9.761 5.357 1.00 0.00 O ATOM 0 H SER A 95 6.744 -10.604 4.754 1.00 0.00 H new ATOM 0 HA SER A 95 9.393 -11.803 4.386 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.641 -9.679 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.729 -10.957 6.882 1.00 0.00 H new ATOM 0 HG SER A 95 10.076 -9.190 4.643 1.00 0.00 H new ATOM 1269 N TYR A 96 8.379 -13.751 5.469 1.00 0.00 N ATOM 1270 CA TYR A 96 7.880 -14.958 6.118 1.00 0.00 C ATOM 1271 C TYR A 96 6.358 -15.054 6.022 1.00 0.00 C ATOM 1272 O TYR A 96 5.693 -15.471 6.972 1.00 0.00 O ATOM 1273 CB TYR A 96 8.326 -15.010 7.587 1.00 0.00 C ATOM 1274 CG TYR A 96 9.827 -14.968 7.772 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.615 -16.070 7.469 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.454 -13.826 8.254 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.983 -16.036 7.641 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.822 -13.784 8.427 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.583 -14.892 8.119 1.00 0.00 C ATOM 1280 OH TYR A 96 13.948 -14.855 8.296 1.00 0.00 O ATOM 0 H TYR A 96 9.024 -13.933 4.700 1.00 0.00 H new ATOM 0 HA TYR A 96 8.305 -15.813 5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.880 -14.172 8.122 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.939 -15.921 8.042 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.149 -16.969 7.092 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.861 -12.957 8.497 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.581 -16.903 7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.295 -12.888 8.802 1.00 0.00 H new ATOM 0 HH TYR A 96 14.210 -13.975 8.639 1.00 0.00 H new ATOM 1289 N GLY A 97 5.817 -14.693 4.858 1.00 0.00 N ATOM 1290 CA GLY A 97 4.379 -14.743 4.651 1.00 0.00 C ATOM 1291 C GLY A 97 3.628 -13.809 5.578 1.00 0.00 C ATOM 1292 O GLY A 97 2.450 -14.019 5.872 1.00 0.00 O ATOM 0 H GLY A 97 6.352 -14.366 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.154 -14.482 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.028 -15.763 4.805 1.00 0.00 H new ATOM 1296 N TYR A 98 4.315 -12.778 6.033 1.00 0.00 N ATOM 1297 CA TYR A 98 3.739 -11.805 6.934 1.00 0.00 C ATOM 1298 C TYR A 98 3.970 -10.414 6.374 1.00 0.00 C ATOM 1299 O TYR A 98 5.041 -10.123 5.834 1.00 0.00 O ATOM 1300 CB TYR A 98 4.371 -11.945 8.323 1.00 0.00 C ATOM 1301 CG TYR A 98 3.601 -11.258 9.430 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.296 -11.632 9.726 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.181 -10.245 10.183 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.589 -11.015 10.741 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.483 -9.625 11.203 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.186 -10.015 11.478 1.00 0.00 C ATOM 1307 OH TYR A 98 1.485 -9.404 12.498 1.00 0.00 O ATOM 0 H TYR A 98 5.288 -12.594 5.787 1.00 0.00 H new ATOM 0 HA TYR A 98 2.667 -11.975 7.030 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.462 -13.004 8.563 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.381 -11.537 8.292 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.826 -12.418 9.153 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.194 -9.937 9.968 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.574 -11.315 10.955 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.949 -8.841 11.781 1.00 0.00 H new ATOM 0 HH TYR A 98 2.048 -8.722 12.919 1.00 0.00 H new ATOM 1316 N MET A 99 2.955 -9.573 6.478 1.00 0.00 N ATOM 1317 CA MET A 99 3.035 -8.215 5.961 1.00 0.00 C ATOM 1318 C MET A 99 4.083 -7.374 6.687 1.00 0.00 C ATOM 1319 O MET A 99 4.112 -7.308 7.916 1.00 0.00 O ATOM 1320 CB MET A 99 1.678 -7.507 6.060 1.00 0.00 C ATOM 1321 CG MET A 99 1.178 -7.318 7.485 1.00 0.00 C ATOM 1322 SD MET A 99 -0.082 -6.038 7.614 1.00 0.00 S ATOM 1323 CE MET A 99 -0.441 -6.094 9.367 1.00 0.00 C ATOM 0 H MET A 99 2.064 -9.806 6.916 1.00 0.00 H new ATOM 0 HA MET A 99 3.331 -8.307 4.916 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.754 -6.531 5.581 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.939 -8.081 5.500 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.772 -8.261 7.851 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.019 -7.061 8.130 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.207 -5.356 9.605 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.800 -7.088 9.633 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.465 -5.873 9.931 1.00 0.00 H new ATOM 1331 N GLU A 100 4.945 -6.741 5.909 1.00 0.00 N ATOM 1332 CA GLU A 100 5.963 -5.847 6.439 1.00 0.00 C ATOM 1333 C GLU A 100 6.077 -4.637 5.512 1.00 0.00 C ATOM 1334 O GLU A 100 6.964 -4.547 4.667 1.00 0.00 O ATOM 1335 CB GLU A 100 7.316 -6.545 6.612 1.00 0.00 C ATOM 1336 CG GLU A 100 7.810 -7.240 5.364 1.00 0.00 C ATOM 1337 CD GLU A 100 9.288 -7.015 5.114 1.00 0.00 C ATOM 1338 OE1 GLU A 100 9.951 -6.344 5.932 1.00 0.00 O ATOM 1339 OE2 GLU A 100 9.802 -7.525 4.097 1.00 0.00 O ATOM 0 H GLU A 100 4.960 -6.832 4.893 1.00 0.00 H new ATOM 0 HA GLU A 100 5.663 -5.523 7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.057 -5.808 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.236 -7.276 7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.619 -8.310 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.242 -6.882 4.505 1.00 0.00 H new ATOM 1344 N PRO A 101 5.118 -3.719 5.631 1.00 0.00 N ATOM 1345 CA PRO A 101 5.059 -2.504 4.816 1.00 0.00 C ATOM 1346 C PRO A 101 6.266 -1.597 5.014 1.00 0.00 C ATOM 1347 O PRO A 101 6.298 -0.757 5.916 1.00 0.00 O ATOM 1348 CB PRO A 101 3.785 -1.815 5.299 1.00 0.00 C ATOM 1349 CG PRO A 101 3.542 -2.376 6.659 1.00 0.00 C ATOM 1350 CD PRO A 101 4.012 -3.794 6.588 1.00 0.00 C ATOM 0 HA PRO A 101 5.061 -2.735 3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.909 -0.733 5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.948 -2.018 4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.089 -1.818 7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.486 -2.324 6.923 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.342 -4.160 7.560 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.224 -4.465 6.245 1.00 0.00 H new ATOM 1355 N CYS A 102 7.251 -1.782 4.163 1.00 0.00 N ATOM 1356 CA CYS A 102 8.467 -1.000 4.209 1.00 0.00 C ATOM 1357 C CYS A 102 8.503 -0.009 3.059 1.00 0.00 C ATOM 1358 O CYS A 102 8.453 -0.389 1.891 1.00 0.00 O ATOM 1359 CB CYS A 102 9.692 -1.915 4.167 1.00 0.00 C ATOM 1360 SG CYS A 102 9.508 -3.363 3.067 1.00 0.00 S ATOM 0 H CYS A 102 7.232 -2.479 3.419 1.00 0.00 H new ATOM 0 HA CYS A 102 8.485 -0.442 5.145 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.555 -1.334 3.842 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.905 -2.265 5.177 1.00 0.00 H new