USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 64 SER OG : rot 160:sc= -0.199 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc=-0.00816 X(o=-0.0082,f=0) USER MOD Single : A 79 THR OG1 : rot -97:sc= 1.78 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -11.2! C(o=-11!,f=-6.2!) USER MOD Single : A 95 HIS : no HD1:sc=-0.00243 X(o=-0.0024,f=-0.1) USER MOD Single : A 96 ASN : amide:sc= -2.52 K(o=-2.5,f=-6.8!) USER MOD Single : A 100 CYS SG : rot 18:sc= 1.12 USER MOD Single : A 103 GLN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 104 THR OG1 : rot 6:sc= -3.48! USER MOD Single : A 105 LYS NZ :NH3+ -125:sc= 0.555 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.19) USER MOD Single : A 108 GLN : amide:sc= -0.888 K(o=-0.89,f=-3.1!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -1.68 K(o=-1.7,f=-6.1!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 130:sc= -1.54 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 64 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA SER A 64 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C SER A 64 3.575 0.000 -0.953 1.00 1.00 C ATOM 4 O SER A 64 3.986 0.000 0.206 1.00 1.00 O ATOM 5 CB SER A 64 1.701 1.205 -2.112 1.00 1.00 C ATOM 6 OG SER A 64 2.424 1.224 -3.339 1.00 1.00 O ATOM 0 HA SER A 64 1.816 -0.904 -1.798 1.00 1.00 H new ATOM 0 HB2 SER A 64 0.632 1.184 -2.322 1.00 1.00 H new ATOM 0 HB3 SER A 64 1.900 2.124 -1.560 1.00 1.00 H new ATOM 0 HG SER A 64 1.955 1.790 -3.987 1.00 1.00 H new ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.365 1.273 -2.533 1.00 1.00 C ATOM 15 O LEU A 65 5.613 2.101 -3.046 1.00 1.00 O ATOM 16 CB LEU A 65 6.390 -1.288 -2.478 1.00 1.00 C ATOM 17 CG LEU A 65 6.131 -2.564 -1.675 1.00 1.00 C ATOM 18 CD1 LEU A 65 6.844 -2.515 -0.322 1.00 1.00 C ATOM 19 CD2 LEU A 65 4.630 -2.822 -1.523 1.00 1.00 C ATOM 0 H LEU A 65 4.010 0.000 -2.985 1.00 1.00 H new ATOM 0 HA LEU A 65 6.091 0.012 -0.848 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.991 -1.427 -3.483 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.468 -1.158 -2.579 1.00 1.00 H new ATOM 0 HG LEU A 65 6.548 -3.406 -2.228 1.00 1.00 H new ATOM 0 HD11 LEU A 65 6.643 -3.434 0.229 1.00 1.00 H new ATOM 0 HD12 LEU A 65 7.918 -2.414 -0.480 1.00 1.00 H new ATOM 0 HD13 LEU A 65 6.480 -1.662 0.251 1.00 1.00 H new ATOM 0 HD21 LEU A 65 4.474 -3.735 -0.948 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.167 -1.983 -1.004 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.178 -2.932 -2.509 1.00 1.00 H new ATOM 31 N PHE A 66 7.683 1.390 -2.478 1.00 1.00 N ATOM 32 CA PHE A 66 8.356 2.549 -3.041 1.00 1.00 C ATOM 33 C PHE A 66 9.273 2.142 -4.196 1.00 1.00 C ATOM 34 O PHE A 66 9.552 0.960 -4.385 1.00 1.00 O ATOM 35 CB PHE A 66 9.203 3.161 -1.924 1.00 1.00 C ATOM 36 CG PHE A 66 8.434 3.411 -0.625 1.00 1.00 C ATOM 37 CD1 PHE A 66 7.080 3.544 -0.651 1.00 1.00 C ATOM 38 CD2 PHE A 66 9.103 3.499 0.555 1.00 1.00 C ATOM 39 CE1 PHE A 66 6.366 3.776 0.554 1.00 1.00 C ATOM 40 CE2 PHE A 66 8.389 3.730 1.761 1.00 1.00 C ATOM 41 CZ PHE A 66 7.036 3.864 1.735 1.00 1.00 C ATOM 0 H PHE A 66 8.304 0.702 -2.052 1.00 1.00 H new ATOM 0 HA PHE A 66 7.621 3.255 -3.427 1.00 1.00 H new ATOM 0 HB2 PHE A 66 10.043 2.499 -1.715 1.00 1.00 H new ATOM 0 HB3 PHE A 66 9.621 4.105 -2.274 1.00 1.00 H new ATOM 0 HD1 PHE A 66 6.548 3.473 -1.588 1.00 1.00 H new ATOM 0 HD2 PHE A 66 10.178 3.393 0.576 1.00 1.00 H new ATOM 0 HE1 PHE A 66 5.291 3.883 0.533 1.00 1.00 H new ATOM 0 HE2 PHE A 66 8.921 3.799 2.699 1.00 1.00 H new ATOM 0 HZ PHE A 66 6.493 4.040 2.652 1.00 1.00 H new ATOM 51 N VAL A 67 9.717 3.146 -4.939 1.00 1.00 N ATOM 52 CA VAL A 67 10.597 2.908 -6.070 1.00 1.00 C ATOM 53 C VAL A 67 11.800 3.849 -5.981 1.00 1.00 C ATOM 54 O VAL A 67 11.669 4.991 -5.544 1.00 1.00 O ATOM 55 CB VAL A 67 9.818 3.055 -7.379 1.00 1.00 C ATOM 56 CG1 VAL A 67 9.356 1.692 -7.898 1.00 1.00 C ATOM 57 CG2 VAL A 67 8.633 4.007 -7.208 1.00 1.00 C ATOM 0 H VAL A 67 9.483 4.126 -4.779 1.00 1.00 H new ATOM 0 HA VAL A 67 10.980 1.888 -6.048 1.00 1.00 H new ATOM 0 HB VAL A 67 10.489 3.486 -8.122 1.00 1.00 H new ATOM 0 HG11 VAL A 67 8.805 1.825 -8.829 1.00 1.00 H new ATOM 0 HG12 VAL A 67 10.224 1.058 -8.077 1.00 1.00 H new ATOM 0 HG13 VAL A 67 8.709 1.221 -7.158 1.00 1.00 H new ATOM 0 HG21 VAL A 67 8.097 4.094 -8.153 1.00 1.00 H new ATOM 0 HG22 VAL A 67 7.961 3.618 -6.443 1.00 1.00 H new ATOM 0 HG23 VAL A 67 8.996 4.989 -6.906 1.00 1.00 H new ATOM 67 N ALA A 68 12.946 3.335 -6.404 1.00 1.00 N ATOM 68 CA ALA A 68 14.171 4.115 -6.378 1.00 1.00 C ATOM 69 C ALA A 68 14.111 5.188 -7.466 1.00 1.00 C ATOM 70 O ALA A 68 13.807 4.891 -8.620 1.00 1.00 O ATOM 71 CB ALA A 68 15.373 3.183 -6.544 1.00 1.00 C ATOM 0 H ALA A 68 13.051 2.388 -6.767 1.00 1.00 H new ATOM 0 HA ALA A 68 14.282 4.623 -5.420 1.00 1.00 H new ATOM 0 HB1 ALA A 68 16.292 3.768 -6.525 1.00 1.00 H new ATOM 0 HB2 ALA A 68 15.387 2.458 -5.730 1.00 1.00 H new ATOM 0 HB3 ALA A 68 15.297 2.658 -7.496 1.00 1.00 H new ATOM 77 N LEU A 69 14.404 6.415 -7.059 1.00 1.00 N ATOM 78 CA LEU A 69 14.387 7.534 -7.985 1.00 1.00 C ATOM 79 C LEU A 69 15.781 7.713 -8.589 1.00 1.00 C ATOM 80 O LEU A 69 15.965 7.551 -9.795 1.00 1.00 O ATOM 81 CB LEU A 69 13.850 8.791 -7.297 1.00 1.00 C ATOM 82 CG LEU A 69 12.606 9.421 -7.927 1.00 1.00 C ATOM 83 CD1 LEU A 69 12.231 10.722 -7.216 1.00 1.00 C ATOM 84 CD2 LEU A 69 12.797 9.624 -9.432 1.00 1.00 C ATOM 0 H LEU A 69 14.654 6.658 -6.101 1.00 1.00 H new ATOM 0 HA LEU A 69 13.705 7.333 -8.811 1.00 1.00 H new ATOM 0 HB2 LEU A 69 13.622 8.544 -6.260 1.00 1.00 H new ATOM 0 HB3 LEU A 69 14.643 9.539 -7.280 1.00 1.00 H new ATOM 0 HG LEU A 69 11.771 8.732 -7.798 1.00 1.00 H new ATOM 0 HD11 LEU A 69 11.344 11.149 -7.683 1.00 1.00 H new ATOM 0 HD12 LEU A 69 12.025 10.516 -6.166 1.00 1.00 H new ATOM 0 HD13 LEU A 69 13.057 11.429 -7.292 1.00 1.00 H new ATOM 0 HD21 LEU A 69 11.899 10.073 -9.855 1.00 1.00 H new ATOM 0 HD22 LEU A 69 13.648 10.283 -9.605 1.00 1.00 H new ATOM 0 HD23 LEU A 69 12.981 8.661 -9.909 1.00 1.00 H new ATOM 96 N TYR A 70 16.729 8.043 -7.723 1.00 1.00 N ATOM 97 CA TYR A 70 18.101 8.245 -8.156 1.00 1.00 C ATOM 98 C TYR A 70 18.958 7.016 -7.852 1.00 1.00 C ATOM 99 O TYR A 70 18.554 6.148 -7.080 1.00 1.00 O ATOM 100 CB TYR A 70 18.627 9.433 -7.348 1.00 1.00 C ATOM 101 CG TYR A 70 18.271 10.797 -7.942 1.00 1.00 C ATOM 102 CD1 TYR A 70 17.081 11.407 -7.604 1.00 1.00 C ATOM 103 CD2 TYR A 70 19.141 11.417 -8.816 1.00 1.00 C ATOM 104 CE1 TYR A 70 16.746 12.691 -8.163 1.00 1.00 C ATOM 105 CE2 TYR A 70 18.805 12.701 -9.376 1.00 1.00 C ATOM 106 CZ TYR A 70 17.624 13.275 -9.021 1.00 1.00 C ATOM 107 OH TYR A 70 17.308 14.487 -9.549 1.00 1.00 O ATOM 0 H TYR A 70 16.573 8.175 -6.724 1.00 1.00 H new ATOM 0 HA TYR A 70 18.143 8.420 -9.231 1.00 1.00 H new ATOM 0 HB2 TYR A 70 18.229 9.375 -6.335 1.00 1.00 H new ATOM 0 HB3 TYR A 70 19.711 9.354 -7.270 1.00 1.00 H new ATOM 0 HD1 TYR A 70 16.401 10.922 -6.920 1.00 1.00 H new ATOM 0 HD2 TYR A 70 20.073 10.940 -9.080 1.00 1.00 H new ATOM 0 HE1 TYR A 70 15.818 13.179 -7.906 1.00 1.00 H new ATOM 0 HE2 TYR A 70 19.476 13.197 -10.062 1.00 1.00 H new ATOM 0 HH TYR A 70 18.029 14.783 -10.144 1.00 1.00 H new ATOM 117 N ASP A 71 20.128 6.980 -8.474 1.00 1.00 N ATOM 118 CA ASP A 71 21.046 5.871 -8.279 1.00 1.00 C ATOM 119 C ASP A 71 21.917 6.146 -7.052 1.00 1.00 C ATOM 120 O ASP A 71 21.920 7.257 -6.524 1.00 1.00 O ATOM 121 CB ASP A 71 21.970 5.702 -9.487 1.00 1.00 C ATOM 122 CG ASP A 71 22.716 6.969 -9.912 1.00 1.00 C ATOM 123 OD1 ASP A 71 23.314 7.603 -9.017 1.00 1.00 O ATOM 124 OD2 ASP A 71 22.670 7.274 -11.124 1.00 1.00 O ATOM 0 H ASP A 71 20.461 7.702 -9.113 1.00 1.00 H new ATOM 0 HA ASP A 71 20.456 4.964 -8.147 1.00 1.00 H new ATOM 0 HB2 ASP A 71 22.702 4.926 -9.260 1.00 1.00 H new ATOM 0 HB3 ASP A 71 21.379 5.346 -10.331 1.00 1.00 H new ATOM 129 N PHE A 72 22.637 5.115 -6.634 1.00 1.00 N ATOM 130 CA PHE A 72 23.510 5.231 -5.478 1.00 1.00 C ATOM 131 C PHE A 72 24.970 4.992 -5.869 1.00 1.00 C ATOM 132 O PHE A 72 25.259 4.152 -6.720 1.00 1.00 O ATOM 133 CB PHE A 72 23.078 4.155 -4.481 1.00 1.00 C ATOM 134 CG PHE A 72 23.474 4.453 -3.033 1.00 1.00 C ATOM 135 CD1 PHE A 72 24.788 4.511 -2.685 1.00 1.00 C ATOM 136 CD2 PHE A 72 22.512 4.660 -2.094 1.00 1.00 C ATOM 137 CE1 PHE A 72 25.155 4.787 -1.342 1.00 1.00 C ATOM 138 CE2 PHE A 72 22.879 4.937 -0.751 1.00 1.00 C ATOM 139 CZ PHE A 72 24.193 4.995 -0.403 1.00 1.00 C ATOM 0 H PHE A 72 22.634 4.195 -7.075 1.00 1.00 H new ATOM 0 HA PHE A 72 23.435 6.232 -5.053 1.00 1.00 H new ATOM 0 HB2 PHE A 72 21.996 4.039 -4.534 1.00 1.00 H new ATOM 0 HB3 PHE A 72 23.516 3.202 -4.778 1.00 1.00 H new ATOM 0 HD1 PHE A 72 25.552 4.347 -3.431 1.00 1.00 H new ATOM 0 HD2 PHE A 72 21.469 4.614 -2.370 1.00 1.00 H new ATOM 0 HE1 PHE A 72 26.198 4.832 -1.066 1.00 1.00 H new ATOM 0 HE2 PHE A 72 22.115 5.102 -0.005 1.00 1.00 H new ATOM 0 HZ PHE A 72 24.472 5.206 0.619 1.00 1.00 H new ATOM 149 N VAL A 73 25.852 5.745 -5.227 1.00 1.00 N ATOM 150 CA VAL A 73 27.275 5.625 -5.497 1.00 1.00 C ATOM 151 C VAL A 73 27.988 5.134 -4.236 1.00 1.00 C ATOM 152 O VAL A 73 27.549 5.412 -3.121 1.00 1.00 O ATOM 153 CB VAL A 73 27.823 6.957 -6.014 1.00 1.00 C ATOM 154 CG1 VAL A 73 27.767 8.032 -4.926 1.00 1.00 C ATOM 155 CG2 VAL A 73 29.247 6.792 -6.550 1.00 1.00 C ATOM 0 H VAL A 73 25.609 6.440 -4.521 1.00 1.00 H new ATOM 0 HA VAL A 73 27.455 4.889 -6.280 1.00 1.00 H new ATOM 0 HB VAL A 73 27.190 7.283 -6.839 1.00 1.00 H new ATOM 0 HG11 VAL A 73 28.162 8.969 -5.319 1.00 1.00 H new ATOM 0 HG12 VAL A 73 26.734 8.178 -4.611 1.00 1.00 H new ATOM 0 HG13 VAL A 73 28.365 7.716 -4.071 1.00 1.00 H new ATOM 0 HG21 VAL A 73 29.613 7.753 -6.911 1.00 1.00 H new ATOM 0 HG22 VAL A 73 29.897 6.433 -5.752 1.00 1.00 H new ATOM 0 HG23 VAL A 73 29.246 6.073 -7.369 1.00 1.00 H new ATOM 165 N ALA A 74 29.077 4.411 -4.455 1.00 1.00 N ATOM 166 CA ALA A 74 29.856 3.878 -3.350 1.00 1.00 C ATOM 167 C ALA A 74 30.310 5.029 -2.450 1.00 1.00 C ATOM 168 O ALA A 74 31.378 5.603 -2.661 1.00 1.00 O ATOM 169 CB ALA A 74 31.032 3.068 -3.898 1.00 1.00 C ATOM 0 H ALA A 74 29.438 4.182 -5.381 1.00 1.00 H new ATOM 0 HA ALA A 74 29.251 3.204 -2.744 1.00 1.00 H new ATOM 0 HB1 ALA A 74 31.616 2.668 -3.069 1.00 1.00 H new ATOM 0 HB2 ALA A 74 30.655 2.246 -4.506 1.00 1.00 H new ATOM 0 HB3 ALA A 74 31.664 3.712 -4.510 1.00 1.00 H new ATOM 175 N SER A 75 29.478 5.332 -1.465 1.00 1.00 N ATOM 176 CA SER A 75 29.780 6.405 -0.532 1.00 1.00 C ATOM 177 C SER A 75 29.155 6.104 0.831 1.00 1.00 C ATOM 178 O SER A 75 27.953 5.861 0.927 1.00 1.00 O ATOM 179 CB SER A 75 29.281 7.751 -1.060 1.00 1.00 C ATOM 180 OG SER A 75 29.408 8.785 -0.088 1.00 1.00 O ATOM 0 H SER A 75 28.594 4.853 -1.292 1.00 1.00 H new ATOM 0 HA SER A 75 30.863 6.468 -0.422 1.00 1.00 H new ATOM 0 HB2 SER A 75 29.844 8.022 -1.953 1.00 1.00 H new ATOM 0 HB3 SER A 75 28.236 7.659 -1.358 1.00 1.00 H new ATOM 0 HG SER A 75 29.081 9.629 -0.463 1.00 1.00 H new ATOM 186 N GLY A 76 29.999 6.130 1.852 1.00 1.00 N ATOM 187 CA GLY A 76 29.544 5.863 3.206 1.00 1.00 C ATOM 188 C GLY A 76 29.708 4.383 3.558 1.00 1.00 C ATOM 189 O GLY A 76 29.983 3.561 2.686 1.00 1.00 O ATOM 0 H GLY A 76 30.995 6.332 1.769 1.00 1.00 H new ATOM 0 HA2 GLY A 76 30.110 6.473 3.910 1.00 1.00 H new ATOM 0 HA3 GLY A 76 28.497 6.150 3.305 1.00 1.00 H new ATOM 193 N ASP A 77 29.531 4.089 4.838 1.00 1.00 N ATOM 194 CA ASP A 77 29.655 2.722 5.315 1.00 1.00 C ATOM 195 C ASP A 77 28.326 1.992 5.110 1.00 1.00 C ATOM 196 O ASP A 77 27.274 2.623 5.019 1.00 1.00 O ATOM 197 CB ASP A 77 29.987 2.688 6.808 1.00 1.00 C ATOM 198 CG ASP A 77 29.991 1.294 7.439 1.00 1.00 C ATOM 199 OD1 ASP A 77 28.889 0.836 7.809 1.00 1.00 O ATOM 200 OD2 ASP A 77 31.096 0.719 7.536 1.00 1.00 O ATOM 0 H ASP A 77 29.303 4.774 5.559 1.00 1.00 H new ATOM 0 HA ASP A 77 30.458 2.241 4.756 1.00 1.00 H new ATOM 0 HB2 ASP A 77 30.967 3.140 6.957 1.00 1.00 H new ATOM 0 HB3 ASP A 77 29.265 3.309 7.339 1.00 1.00 H new ATOM 205 N ASN A 78 28.417 0.672 5.044 1.00 1.00 N ATOM 206 CA ASN A 78 27.235 -0.151 4.851 1.00 1.00 C ATOM 207 C ASN A 78 26.306 0.527 3.842 1.00 1.00 C ATOM 208 O ASN A 78 25.201 0.940 4.190 1.00 1.00 O ATOM 209 CB ASN A 78 26.464 -0.323 6.161 1.00 1.00 C ATOM 210 CG ASN A 78 25.757 -1.680 6.208 1.00 1.00 C ATOM 211 OD1 ASN A 78 26.372 -2.724 6.346 1.00 1.00 O ATOM 212 ND2 ASN A 78 24.435 -1.605 6.085 1.00 1.00 N ATOM 0 H ASN A 78 29.291 0.152 5.121 1.00 1.00 H new ATOM 0 HA ASN A 78 27.559 -1.128 4.492 1.00 1.00 H new ATOM 0 HB2 ASN A 78 27.149 -0.237 7.004 1.00 1.00 H new ATOM 0 HB3 ASN A 78 25.731 0.477 6.263 1.00 1.00 H new ATOM 0 HD21 ASN A 78 23.872 -2.455 6.103 1.00 1.00 H new ATOM 0 HD22 ASN A 78 23.984 -0.697 5.972 1.00 1.00 H new ATOM 219 N THR A 79 26.788 0.619 2.611 1.00 1.00 N ATOM 220 CA THR A 79 26.014 1.240 1.549 1.00 1.00 C ATOM 221 C THR A 79 25.716 0.225 0.444 1.00 1.00 C ATOM 222 O THR A 79 26.267 -0.874 0.440 1.00 1.00 O ATOM 223 CB THR A 79 26.786 2.466 1.056 1.00 1.00 C ATOM 224 OG1 THR A 79 25.916 3.559 1.334 1.00 1.00 O ATOM 225 CG2 THR A 79 26.939 2.488 -0.466 1.00 1.00 C ATOM 0 H THR A 79 27.704 0.274 2.325 1.00 1.00 H new ATOM 0 HA THR A 79 25.042 1.574 1.911 1.00 1.00 H new ATOM 0 HB THR A 79 27.772 2.485 1.520 1.00 1.00 H new ATOM 0 HG1 THR A 79 25.410 3.787 0.527 1.00 1.00 H new ATOM 0 HG21 THR A 79 27.494 3.378 -0.763 1.00 1.00 H new ATOM 0 HG22 THR A 79 27.479 1.599 -0.790 1.00 1.00 H new ATOM 0 HG23 THR A 79 25.953 2.503 -0.931 1.00 1.00 H new ATOM 233 N LEU A 80 24.844 0.630 -0.468 1.00 1.00 N ATOM 234 CA LEU A 80 24.465 -0.230 -1.576 1.00 1.00 C ATOM 235 C LEU A 80 24.421 0.594 -2.864 1.00 1.00 C ATOM 236 O LEU A 80 23.724 1.605 -2.934 1.00 1.00 O ATOM 237 CB LEU A 80 23.156 -0.958 -1.266 1.00 1.00 C ATOM 238 CG LEU A 80 23.012 -2.362 -1.857 1.00 1.00 C ATOM 239 CD1 LEU A 80 21.694 -3.007 -1.424 1.00 1.00 C ATOM 240 CD2 LEU A 80 23.164 -2.334 -3.379 1.00 1.00 C ATOM 0 H LEU A 80 24.389 1.543 -0.462 1.00 1.00 H new ATOM 0 HA LEU A 80 25.210 -1.012 -1.723 1.00 1.00 H new ATOM 0 HB2 LEU A 80 23.050 -1.029 -0.183 1.00 1.00 H new ATOM 0 HB3 LEU A 80 22.329 -0.347 -1.628 1.00 1.00 H new ATOM 0 HG LEU A 80 23.818 -2.982 -1.464 1.00 1.00 H new ATOM 0 HD11 LEU A 80 21.617 -4.004 -1.858 1.00 1.00 H new ATOM 0 HD12 LEU A 80 21.665 -3.081 -0.337 1.00 1.00 H new ATOM 0 HD13 LEU A 80 20.860 -2.396 -1.768 1.00 1.00 H new ATOM 0 HD21 LEU A 80 23.057 -3.344 -3.774 1.00 1.00 H new ATOM 0 HD22 LEU A 80 22.395 -1.693 -3.810 1.00 1.00 H new ATOM 0 HD23 LEU A 80 24.148 -1.945 -3.639 1.00 1.00 H new ATOM 252 N SER A 81 25.174 0.132 -3.851 1.00 1.00 N ATOM 253 CA SER A 81 25.229 0.814 -5.133 1.00 1.00 C ATOM 254 C SER A 81 24.230 0.183 -6.104 1.00 1.00 C ATOM 255 O SER A 81 24.374 -0.979 -6.481 1.00 1.00 O ATOM 256 CB SER A 81 26.641 0.770 -5.720 1.00 1.00 C ATOM 257 OG SER A 81 27.600 1.367 -4.851 1.00 1.00 O ATOM 0 H SER A 81 25.751 -0.707 -3.789 1.00 1.00 H new ATOM 0 HA SER A 81 24.963 1.859 -4.976 1.00 1.00 H new ATOM 0 HB2 SER A 81 26.921 -0.266 -5.912 1.00 1.00 H new ATOM 0 HB3 SER A 81 26.651 1.286 -6.680 1.00 1.00 H new ATOM 0 HG SER A 81 28.489 1.317 -5.261 1.00 1.00 H new ATOM 263 N ILE A 82 23.240 0.977 -6.484 1.00 1.00 N ATOM 264 CA ILE A 82 22.217 0.511 -7.405 1.00 1.00 C ATOM 265 C ILE A 82 22.151 1.455 -8.607 1.00 1.00 C ATOM 266 O ILE A 82 22.826 2.483 -8.631 1.00 1.00 O ATOM 267 CB ILE A 82 20.880 0.343 -6.680 1.00 1.00 C ATOM 268 CG1 ILE A 82 20.941 0.939 -5.272 1.00 1.00 C ATOM 269 CG2 ILE A 82 20.446 -1.124 -6.664 1.00 1.00 C ATOM 270 CD1 ILE A 82 21.418 -0.101 -4.257 1.00 1.00 C ATOM 0 H ILE A 82 23.124 1.941 -6.171 1.00 1.00 H new ATOM 0 HA ILE A 82 22.471 -0.477 -7.789 1.00 1.00 H new ATOM 0 HB ILE A 82 20.120 0.897 -7.231 1.00 1.00 H new ATOM 0 HG12 ILE A 82 21.615 1.795 -5.265 1.00 1.00 H new ATOM 0 HG13 ILE A 82 19.956 1.307 -4.986 1.00 1.00 H new ATOM 0 HG21 ILE A 82 19.493 -1.216 -6.143 1.00 1.00 H new ATOM 0 HG22 ILE A 82 20.336 -1.482 -7.688 1.00 1.00 H new ATOM 0 HG23 ILE A 82 21.200 -1.721 -6.150 1.00 1.00 H new ATOM 0 HD11 ILE A 82 21.452 0.348 -3.265 1.00 1.00 H new ATOM 0 HD12 ILE A 82 20.728 -0.945 -4.249 1.00 1.00 H new ATOM 0 HD13 ILE A 82 22.414 -0.448 -4.533 1.00 1.00 H new ATOM 282 N THR A 83 21.332 1.072 -9.575 1.00 1.00 N ATOM 283 CA THR A 83 21.169 1.872 -10.778 1.00 1.00 C ATOM 284 C THR A 83 19.742 2.417 -10.866 1.00 1.00 C ATOM 285 O THR A 83 18.803 1.788 -10.380 1.00 1.00 O ATOM 286 CB THR A 83 21.565 1.008 -11.977 1.00 1.00 C ATOM 287 OG1 THR A 83 22.577 0.145 -11.464 1.00 1.00 O ATOM 288 CG2 THR A 83 22.278 1.811 -13.067 1.00 1.00 C ATOM 0 H THR A 83 20.774 0.219 -9.551 1.00 1.00 H new ATOM 0 HA THR A 83 21.817 2.748 -10.762 1.00 1.00 H new ATOM 0 HB THR A 83 20.675 0.538 -12.395 1.00 1.00 H new ATOM 0 HG1 THR A 83 22.890 -0.452 -12.176 1.00 1.00 H new ATOM 0 HG21 THR A 83 22.537 1.151 -13.895 1.00 1.00 H new ATOM 0 HG22 THR A 83 21.619 2.602 -13.426 1.00 1.00 H new ATOM 0 HG23 THR A 83 23.186 2.253 -12.658 1.00 1.00 H new ATOM 296 N LYS A 84 19.625 3.579 -11.490 1.00 1.00 N ATOM 297 CA LYS A 84 18.328 4.216 -11.648 1.00 1.00 C ATOM 298 C LYS A 84 17.410 3.299 -12.458 1.00 1.00 C ATOM 299 O LYS A 84 17.819 2.216 -12.875 1.00 1.00 O ATOM 300 CB LYS A 84 18.488 5.614 -12.251 1.00 1.00 C ATOM 301 CG LYS A 84 18.786 5.534 -13.749 1.00 1.00 C ATOM 302 CD LYS A 84 17.728 6.284 -14.560 1.00 1.00 C ATOM 303 CE LYS A 84 16.717 5.313 -15.173 1.00 1.00 C ATOM 304 NZ LYS A 84 16.195 5.847 -16.451 1.00 1.00 N ATOM 0 H LYS A 84 20.406 4.097 -11.892 1.00 1.00 H new ATOM 0 HA LYS A 84 17.855 4.364 -10.677 1.00 1.00 H new ATOM 0 HB2 LYS A 84 17.577 6.191 -12.088 1.00 1.00 H new ATOM 0 HB3 LYS A 84 19.295 6.143 -11.744 1.00 1.00 H new ATOM 0 HG2 LYS A 84 19.770 5.956 -13.950 1.00 1.00 H new ATOM 0 HG3 LYS A 84 18.817 4.490 -14.062 1.00 1.00 H new ATOM 0 HD2 LYS A 84 17.210 6.997 -13.918 1.00 1.00 H new ATOM 0 HD3 LYS A 84 18.211 6.859 -15.350 1.00 1.00 H new ATOM 0 HE2 LYS A 84 17.190 4.345 -15.342 1.00 1.00 H new ATOM 0 HE3 LYS A 84 15.894 5.148 -14.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 15.510 5.176 -16.854 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 15.726 6.759 -16.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 16.981 5.981 -17.118 1.00 1.00 H new ATOM 318 N GLY A 85 16.186 3.765 -12.656 1.00 1.00 N ATOM 319 CA GLY A 85 15.206 3.000 -13.409 1.00 1.00 C ATOM 320 C GLY A 85 15.381 1.499 -13.170 1.00 1.00 C ATOM 321 O GLY A 85 15.303 0.704 -14.105 1.00 1.00 O ATOM 0 H GLY A 85 15.850 4.663 -12.308 1.00 1.00 H new ATOM 0 HA2 GLY A 85 14.200 3.303 -13.118 1.00 1.00 H new ATOM 0 HA3 GLY A 85 15.309 3.217 -14.472 1.00 1.00 H new ATOM 325 N GLU A 86 15.615 1.156 -11.911 1.00 1.00 N ATOM 326 CA GLU A 86 15.802 -0.235 -11.537 1.00 1.00 C ATOM 327 C GLU A 86 14.777 -0.642 -10.477 1.00 1.00 C ATOM 328 O GLU A 86 14.282 0.201 -9.731 1.00 1.00 O ATOM 329 CB GLU A 86 17.229 -0.483 -11.043 1.00 1.00 C ATOM 330 CG GLU A 86 17.643 -1.938 -11.272 1.00 1.00 C ATOM 331 CD GLU A 86 18.268 -2.535 -10.009 1.00 1.00 C ATOM 332 OE1 GLU A 86 19.388 -2.097 -9.669 1.00 1.00 O ATOM 333 OE2 GLU A 86 17.612 -3.416 -9.413 1.00 1.00 O ATOM 0 H GLU A 86 15.679 1.818 -11.138 1.00 1.00 H new ATOM 0 HA GLU A 86 15.646 -0.853 -12.421 1.00 1.00 H new ATOM 0 HB2 GLU A 86 17.919 0.181 -11.564 1.00 1.00 H new ATOM 0 HB3 GLU A 86 17.297 -0.245 -9.982 1.00 1.00 H new ATOM 0 HG2 GLU A 86 16.773 -2.526 -11.564 1.00 1.00 H new ATOM 0 HG3 GLU A 86 18.355 -1.992 -12.095 1.00 1.00 H new ATOM 340 N LYS A 87 14.488 -1.935 -10.445 1.00 1.00 N ATOM 341 CA LYS A 87 13.530 -2.464 -9.489 1.00 1.00 C ATOM 342 C LYS A 87 14.129 -2.397 -8.083 1.00 1.00 C ATOM 343 O LYS A 87 14.822 -3.319 -7.655 1.00 1.00 O ATOM 344 CB LYS A 87 13.082 -3.868 -9.900 1.00 1.00 C ATOM 345 CG LYS A 87 12.320 -4.555 -8.765 1.00 1.00 C ATOM 346 CD LYS A 87 13.162 -5.665 -8.132 1.00 1.00 C ATOM 347 CE LYS A 87 12.291 -6.863 -7.750 1.00 1.00 C ATOM 348 NZ LYS A 87 12.712 -8.069 -8.499 1.00 1.00 N ATOM 0 H LYS A 87 14.900 -2.632 -11.066 1.00 1.00 H new ATOM 0 HA LYS A 87 12.626 -1.856 -9.480 1.00 1.00 H new ATOM 0 HB2 LYS A 87 12.447 -3.807 -10.784 1.00 1.00 H new ATOM 0 HB3 LYS A 87 13.952 -4.466 -10.173 1.00 1.00 H new ATOM 0 HG2 LYS A 87 12.051 -3.820 -8.006 1.00 1.00 H new ATOM 0 HG3 LYS A 87 11.389 -4.973 -9.148 1.00 1.00 H new ATOM 0 HD2 LYS A 87 13.937 -5.982 -8.830 1.00 1.00 H new ATOM 0 HD3 LYS A 87 13.669 -5.282 -7.246 1.00 1.00 H new ATOM 0 HE2 LYS A 87 12.366 -7.048 -6.679 1.00 1.00 H new ATOM 0 HE3 LYS A 87 11.245 -6.642 -7.962 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 12.111 -8.873 -8.228 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 12.617 -7.894 -9.520 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 13.704 -8.288 -8.276 1.00 1.00 H new ATOM 362 N LEU A 88 13.841 -1.297 -7.403 1.00 1.00 N ATOM 363 CA LEU A 88 14.342 -1.097 -6.054 1.00 1.00 C ATOM 364 C LEU A 88 13.219 -0.547 -5.173 1.00 1.00 C ATOM 365 O LEU A 88 12.745 0.567 -5.390 1.00 1.00 O ATOM 366 CB LEU A 88 15.596 -0.220 -6.073 1.00 1.00 C ATOM 367 CG LEU A 88 16.335 -0.077 -4.741 1.00 1.00 C ATOM 368 CD1 LEU A 88 17.812 0.251 -4.966 1.00 1.00 C ATOM 369 CD2 LEU A 88 15.649 0.953 -3.841 1.00 1.00 C ATOM 0 H LEU A 88 13.266 -0.534 -7.762 1.00 1.00 H new ATOM 0 HA LEU A 88 14.652 -2.047 -5.618 1.00 1.00 H new ATOM 0 HB2 LEU A 88 16.289 -0.628 -6.808 1.00 1.00 H new ATOM 0 HB3 LEU A 88 15.314 0.775 -6.418 1.00 1.00 H new ATOM 0 HG LEU A 88 16.294 -1.035 -4.223 1.00 1.00 H new ATOM 0 HD11 LEU A 88 18.314 0.347 -4.003 1.00 1.00 H new ATOM 0 HD12 LEU A 88 18.279 -0.549 -5.540 1.00 1.00 H new ATOM 0 HD13 LEU A 88 17.897 1.189 -5.515 1.00 1.00 H new ATOM 0 HD21 LEU A 88 16.194 1.035 -2.901 1.00 1.00 H new ATOM 0 HD22 LEU A 88 15.638 1.922 -4.340 1.00 1.00 H new ATOM 0 HD23 LEU A 88 14.625 0.636 -3.640 1.00 1.00 H new ATOM 381 N ARG A 89 12.826 -1.352 -4.198 1.00 1.00 N ATOM 382 CA ARG A 89 11.768 -0.960 -3.283 1.00 1.00 C ATOM 383 C ARG A 89 12.220 -1.153 -1.834 1.00 1.00 C ATOM 384 O ARG A 89 12.844 -2.161 -1.504 1.00 1.00 O ATOM 385 CB ARG A 89 10.498 -1.776 -3.527 1.00 1.00 C ATOM 386 CG ARG A 89 10.394 -2.205 -4.992 1.00 1.00 C ATOM 387 CD ARG A 89 8.955 -2.572 -5.356 1.00 1.00 C ATOM 388 NE ARG A 89 8.889 -3.983 -5.800 1.00 1.00 N ATOM 389 CZ ARG A 89 9.191 -4.395 -7.038 1.00 1.00 C ATOM 390 NH1 ARG A 89 9.583 -3.509 -7.963 1.00 1.00 N ATOM 391 NH2 ARG A 89 9.103 -5.695 -7.352 1.00 1.00 N ATOM 0 H ARG A 89 13.222 -2.275 -4.021 1.00 1.00 H new ATOM 0 HA ARG A 89 11.549 0.093 -3.461 1.00 1.00 H new ATOM 0 HB2 ARG A 89 10.499 -2.657 -2.886 1.00 1.00 H new ATOM 0 HB3 ARG A 89 9.624 -1.185 -3.255 1.00 1.00 H new ATOM 0 HG2 ARG A 89 10.741 -1.397 -5.636 1.00 1.00 H new ATOM 0 HG3 ARG A 89 11.047 -3.059 -5.172 1.00 1.00 H new ATOM 0 HD2 ARG A 89 8.304 -2.422 -4.495 1.00 1.00 H new ATOM 0 HD3 ARG A 89 8.593 -1.916 -6.147 1.00 1.00 H new ATOM 0 HE ARG A 89 8.595 -4.685 -5.121 1.00 1.00 H new ATOM 0 HH11 ARG A 89 9.652 -2.520 -7.725 1.00 1.00 H new ATOM 0 HH12 ARG A 89 9.813 -3.824 -8.906 1.00 1.00 H new ATOM 0 HH21 ARG A 89 8.806 -6.371 -6.648 1.00 1.00 H new ATOM 0 HH22 ARG A 89 9.333 -6.009 -8.295 1.00 1.00 H new ATOM 405 N VAL A 90 11.887 -0.172 -1.008 1.00 1.00 N ATOM 406 CA VAL A 90 12.250 -0.222 0.398 1.00 1.00 C ATOM 407 C VAL A 90 11.428 -1.309 1.095 1.00 1.00 C ATOM 408 O VAL A 90 10.239 -1.463 0.822 1.00 1.00 O ATOM 409 CB VAL A 90 12.076 1.159 1.033 1.00 1.00 C ATOM 410 CG1 VAL A 90 11.778 1.041 2.529 1.00 1.00 C ATOM 411 CG2 VAL A 90 13.306 2.034 0.787 1.00 1.00 C ATOM 0 H VAL A 90 11.370 0.662 -1.286 1.00 1.00 H new ATOM 0 HA VAL A 90 13.301 -0.487 0.512 1.00 1.00 H new ATOM 0 HB VAL A 90 11.221 1.641 0.558 1.00 1.00 H new ATOM 0 HG11 VAL A 90 11.659 2.037 2.956 1.00 1.00 H new ATOM 0 HG12 VAL A 90 10.860 0.472 2.673 1.00 1.00 H new ATOM 0 HG13 VAL A 90 12.603 0.530 3.025 1.00 1.00 H new ATOM 0 HG21 VAL A 90 13.156 3.010 1.249 1.00 1.00 H new ATOM 0 HG22 VAL A 90 14.184 1.558 1.222 1.00 1.00 H new ATOM 0 HG23 VAL A 90 13.455 2.159 -0.286 1.00 1.00 H new ATOM 421 N LEU A 91 12.095 -2.033 1.982 1.00 1.00 N ATOM 422 CA LEU A 91 11.441 -3.101 2.719 1.00 1.00 C ATOM 423 C LEU A 91 11.263 -2.672 4.177 1.00 1.00 C ATOM 424 O LEU A 91 10.240 -2.965 4.794 1.00 1.00 O ATOM 425 CB LEU A 91 12.207 -4.414 2.553 1.00 1.00 C ATOM 426 CG LEU A 91 11.537 -5.476 1.680 1.00 1.00 C ATOM 427 CD1 LEU A 91 12.568 -6.463 1.128 1.00 1.00 C ATOM 428 CD2 LEU A 91 10.416 -6.186 2.442 1.00 1.00 C ATOM 0 H LEU A 91 13.081 -1.901 2.207 1.00 1.00 H new ATOM 0 HA LEU A 91 10.445 -3.288 2.317 1.00 1.00 H new ATOM 0 HB2 LEU A 91 13.186 -4.189 2.130 1.00 1.00 H new ATOM 0 HB3 LEU A 91 12.377 -4.840 3.542 1.00 1.00 H new ATOM 0 HG LEU A 91 11.080 -4.976 0.826 1.00 1.00 H new ATOM 0 HD11 LEU A 91 12.065 -7.207 0.511 1.00 1.00 H new ATOM 0 HD12 LEU A 91 13.299 -5.926 0.524 1.00 1.00 H new ATOM 0 HD13 LEU A 91 13.075 -6.960 1.955 1.00 1.00 H new ATOM 0 HD21 LEU A 91 9.957 -6.936 1.798 1.00 1.00 H new ATOM 0 HD22 LEU A 91 10.828 -6.671 3.327 1.00 1.00 H new ATOM 0 HD23 LEU A 91 9.664 -5.458 2.745 1.00 1.00 H new ATOM 440 N GLY A 92 12.276 -1.986 4.687 1.00 1.00 N ATOM 441 CA GLY A 92 12.244 -1.514 6.061 1.00 1.00 C ATOM 442 C GLY A 92 12.773 -0.082 6.161 1.00 1.00 C ATOM 443 O GLY A 92 13.538 0.363 5.306 1.00 1.00 O ATOM 0 H GLY A 92 13.124 -1.746 4.173 1.00 1.00 H new ATOM 0 HA2 GLY A 92 11.223 -1.556 6.440 1.00 1.00 H new ATOM 0 HA3 GLY A 92 12.844 -2.172 6.689 1.00 1.00 H new ATOM 447 N TYR A 93 12.344 0.601 7.212 1.00 1.00 N ATOM 448 CA TYR A 93 12.765 1.974 7.436 1.00 1.00 C ATOM 449 C TYR A 93 13.402 2.134 8.817 1.00 1.00 C ATOM 450 O TYR A 93 13.467 1.179 9.589 1.00 1.00 O ATOM 451 CB TYR A 93 11.492 2.820 7.373 1.00 1.00 C ATOM 452 CG TYR A 93 10.199 2.002 7.378 1.00 1.00 C ATOM 453 CD1 TYR A 93 9.735 1.453 8.557 1.00 1.00 C ATOM 454 CD2 TYR A 93 9.497 1.813 6.205 1.00 1.00 C ATOM 455 CE1 TYR A 93 8.519 0.683 8.562 1.00 1.00 C ATOM 456 CE2 TYR A 93 8.280 1.043 6.211 1.00 1.00 C ATOM 457 CZ TYR A 93 7.851 0.516 7.389 1.00 1.00 C ATOM 458 OH TYR A 93 6.702 -0.212 7.394 1.00 1.00 O ATOM 0 H TYR A 93 11.709 0.229 7.918 1.00 1.00 H new ATOM 0 HA TYR A 93 13.504 2.275 6.694 1.00 1.00 H new ATOM 0 HB2 TYR A 93 11.480 3.504 8.222 1.00 1.00 H new ATOM 0 HB3 TYR A 93 11.519 3.432 6.471 1.00 1.00 H new ATOM 0 HD1 TYR A 93 10.284 1.601 9.475 1.00 1.00 H new ATOM 0 HD2 TYR A 93 9.860 2.242 5.283 1.00 1.00 H new ATOM 0 HE1 TYR A 93 8.145 0.247 9.477 1.00 1.00 H new ATOM 0 HE2 TYR A 93 7.721 0.888 5.300 1.00 1.00 H new ATOM 0 HH TYR A 93 6.333 -0.247 6.487 1.00 1.00 H new ATOM 468 N ASN A 94 13.856 3.349 9.087 1.00 1.00 N ATOM 469 CA ASN A 94 14.486 3.647 10.362 1.00 1.00 C ATOM 470 C ASN A 94 13.419 3.679 11.458 1.00 1.00 C ATOM 471 O ASN A 94 12.233 3.505 11.180 1.00 1.00 O ATOM 472 CB ASN A 94 15.173 5.014 10.331 1.00 1.00 C ATOM 473 CG ASN A 94 16.694 4.865 10.404 1.00 1.00 C ATOM 474 OD1 ASN A 94 17.265 4.561 11.438 1.00 1.00 O ATOM 475 ND2 ASN A 94 17.316 5.096 9.251 1.00 1.00 N ATOM 0 H ASN A 94 13.800 4.139 8.444 1.00 1.00 H new ATOM 0 HA ASN A 94 15.229 2.874 10.560 1.00 1.00 H new ATOM 0 HB2 ASN A 94 14.899 5.542 9.418 1.00 1.00 H new ATOM 0 HB3 ASN A 94 14.823 5.620 11.167 1.00 1.00 H new ATOM 0 HD21 ASN A 94 18.332 5.022 9.196 1.00 1.00 H new ATOM 0 HD22 ASN A 94 16.777 5.347 8.422 1.00 1.00 H new ATOM 482 N HIS A 95 13.878 3.901 12.680 1.00 1.00 N ATOM 483 CA HIS A 95 12.978 3.958 13.819 1.00 1.00 C ATOM 484 C HIS A 95 12.423 5.376 13.965 1.00 1.00 C ATOM 485 O HIS A 95 11.210 5.578 13.930 1.00 1.00 O ATOM 486 CB HIS A 95 13.675 3.461 15.088 1.00 1.00 C ATOM 487 CG HIS A 95 12.839 2.516 15.917 1.00 1.00 C ATOM 488 ND1 HIS A 95 11.497 2.733 16.177 1.00 1.00 N ATOM 489 CD2 HIS A 95 13.167 1.349 16.542 1.00 1.00 C ATOM 490 CE1 HIS A 95 11.049 1.736 16.925 1.00 1.00 C ATOM 491 NE2 HIS A 95 12.086 0.879 17.151 1.00 1.00 N ATOM 0 H HIS A 95 14.862 4.044 12.907 1.00 1.00 H new ATOM 0 HA HIS A 95 12.133 3.290 13.652 1.00 1.00 H new ATOM 0 HB2 HIS A 95 14.602 2.960 14.809 1.00 1.00 H new ATOM 0 HB3 HIS A 95 13.949 4.320 15.700 1.00 1.00 H new ATOM 0 HD2 HIS A 95 14.142 0.885 16.541 1.00 1.00 H new ATOM 0 HE1 HIS A 95 10.040 1.622 17.292 1.00 1.00 H new ATOM 0 HE2 HIS A 95 12.038 0.019 17.698 1.00 1.00 H new ATOM 499 N ASN A 96 13.337 6.321 14.125 1.00 1.00 N ATOM 500 CA ASN A 96 12.954 7.715 14.276 1.00 1.00 C ATOM 501 C ASN A 96 12.299 8.202 12.982 1.00 1.00 C ATOM 502 O ASN A 96 11.170 8.690 13.000 1.00 1.00 O ATOM 503 CB ASN A 96 14.175 8.595 14.548 1.00 1.00 C ATOM 504 CG ASN A 96 15.360 8.174 13.677 1.00 1.00 C ATOM 505 OD1 ASN A 96 15.748 7.018 13.627 1.00 1.00 O ATOM 506 ND2 ASN A 96 15.912 9.173 12.994 1.00 1.00 N ATOM 0 H ASN A 96 14.342 6.149 14.153 1.00 1.00 H new ATOM 0 HA ASN A 96 12.264 7.786 15.117 1.00 1.00 H new ATOM 0 HB2 ASN A 96 13.927 9.638 14.351 1.00 1.00 H new ATOM 0 HB3 ASN A 96 14.450 8.526 15.600 1.00 1.00 H new ATOM 0 HD21 ASN A 96 16.709 8.994 12.383 1.00 1.00 H new ATOM 0 HD22 ASN A 96 15.538 10.118 13.081 1.00 1.00 H new ATOM 513 N GLY A 97 13.035 8.053 11.891 1.00 1.00 N ATOM 514 CA GLY A 97 12.539 8.472 10.591 1.00 1.00 C ATOM 515 C GLY A 97 13.536 9.403 9.898 1.00 1.00 C ATOM 516 O GLY A 97 13.237 10.572 9.660 1.00 1.00 O ATOM 0 H GLY A 97 13.971 7.648 11.880 1.00 1.00 H new ATOM 0 HA2 GLY A 97 12.359 7.597 9.967 1.00 1.00 H new ATOM 0 HA3 GLY A 97 11.582 8.981 10.709 1.00 1.00 H new ATOM 520 N GLU A 98 14.701 8.849 9.593 1.00 1.00 N ATOM 521 CA GLU A 98 15.743 9.615 8.932 1.00 1.00 C ATOM 522 C GLU A 98 16.105 8.972 7.592 1.00 1.00 C ATOM 523 O GLU A 98 16.118 9.643 6.561 1.00 1.00 O ATOM 524 CB GLU A 98 16.977 9.748 9.827 1.00 1.00 C ATOM 525 CG GLU A 98 16.911 11.027 10.665 1.00 1.00 C ATOM 526 CD GLU A 98 17.981 11.022 11.759 1.00 1.00 C ATOM 527 OE1 GLU A 98 19.113 10.595 11.443 1.00 1.00 O ATOM 528 OE2 GLU A 98 17.643 11.444 12.885 1.00 1.00 O ATOM 0 H GLU A 98 14.946 7.879 9.792 1.00 1.00 H new ATOM 0 HA GLU A 98 15.363 10.619 8.741 1.00 1.00 H new ATOM 0 HB2 GLU A 98 17.049 8.882 10.484 1.00 1.00 H new ATOM 0 HB3 GLU A 98 17.877 9.758 9.212 1.00 1.00 H new ATOM 0 HG2 GLU A 98 17.049 11.895 10.021 1.00 1.00 H new ATOM 0 HG3 GLU A 98 15.924 11.119 11.118 1.00 1.00 H new ATOM 535 N TRP A 99 16.391 7.680 7.649 1.00 1.00 N ATOM 536 CA TRP A 99 16.752 6.939 6.453 1.00 1.00 C ATOM 537 C TRP A 99 15.815 5.735 6.341 1.00 1.00 C ATOM 538 O TRP A 99 15.004 5.490 7.233 1.00 1.00 O ATOM 539 CB TRP A 99 18.230 6.545 6.477 1.00 1.00 C ATOM 540 CG TRP A 99 19.173 7.633 5.959 1.00 1.00 C ATOM 541 CD1 TRP A 99 19.259 8.910 6.359 1.00 1.00 C ATOM 542 CD2 TRP A 99 20.167 7.488 4.923 1.00 1.00 C ATOM 543 NE1 TRP A 99 20.231 9.595 5.659 1.00 1.00 N ATOM 544 CE2 TRP A 99 20.801 8.703 4.758 1.00 1.00 C ATOM 545 CE3 TRP A 99 20.519 6.367 4.151 1.00 1.00 C ATOM 546 CZ2 TRP A 99 21.825 8.913 3.827 1.00 1.00 C ATOM 547 CZ3 TRP A 99 21.545 6.594 3.225 1.00 1.00 C ATOM 548 CH2 TRP A 99 22.193 7.810 3.046 1.00 1.00 C ATOM 0 H TRP A 99 16.380 7.127 8.506 1.00 1.00 H new ATOM 0 HA TRP A 99 16.630 7.559 5.565 1.00 1.00 H new ATOM 0 HB2 TRP A 99 18.511 6.291 7.499 1.00 1.00 H new ATOM 0 HB3 TRP A 99 18.365 5.645 5.877 1.00 1.00 H new ATOM 0 HD1 TRP A 99 18.645 9.347 7.132 1.00 1.00 H new ATOM 0 HE1 TRP A 99 20.485 10.575 5.780 1.00 1.00 H new ATOM 0 HE3 TRP A 99 20.037 5.407 4.263 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 22.306 9.874 3.717 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 21.854 5.765 2.606 1.00 1.00 H new ATOM 0 HH2 TRP A 99 22.976 7.904 2.309 1.00 1.00 H new ATOM 559 N CYS A 100 15.956 5.016 5.237 1.00 1.00 N ATOM 560 CA CYS A 100 15.132 3.844 4.997 1.00 1.00 C ATOM 561 C CYS A 100 16.031 2.725 4.468 1.00 1.00 C ATOM 562 O CYS A 100 16.969 2.981 3.714 1.00 1.00 O ATOM 563 CB CYS A 100 13.978 4.150 4.040 1.00 1.00 C ATOM 564 SG CYS A 100 14.533 5.315 2.743 1.00 1.00 S ATOM 0 H CYS A 100 16.629 5.223 4.499 1.00 1.00 H new ATOM 0 HA CYS A 100 14.668 3.525 5.930 1.00 1.00 H new ATOM 0 HB2 CYS A 100 13.620 3.228 3.583 1.00 1.00 H new ATOM 0 HB3 CYS A 100 13.141 4.579 4.592 1.00 1.00 H new ATOM 0 HG CYS A 100 15.832 5.316 2.687 1.00 1.00 H new ATOM 570 N GLU A 101 15.713 1.507 4.883 1.00 1.00 N ATOM 571 CA GLU A 101 16.480 0.348 4.460 1.00 1.00 C ATOM 572 C GLU A 101 15.865 -0.265 3.200 1.00 1.00 C ATOM 573 O GLU A 101 14.646 -0.396 3.101 1.00 1.00 O ATOM 574 CB GLU A 101 16.575 -0.687 5.583 1.00 1.00 C ATOM 575 CG GLU A 101 17.821 -1.559 5.422 1.00 1.00 C ATOM 576 CD GLU A 101 17.796 -2.737 6.398 1.00 1.00 C ATOM 577 OE1 GLU A 101 17.222 -2.554 7.493 1.00 1.00 O ATOM 578 OE2 GLU A 101 18.353 -3.793 6.027 1.00 1.00 O ATOM 0 H GLU A 101 14.934 1.298 5.508 1.00 1.00 H new ATOM 0 HA GLU A 101 17.493 0.674 4.225 1.00 1.00 H new ATOM 0 HB2 GLU A 101 16.604 -0.180 6.548 1.00 1.00 H new ATOM 0 HB3 GLU A 101 15.684 -1.315 5.579 1.00 1.00 H new ATOM 0 HG2 GLU A 101 17.879 -1.931 4.399 1.00 1.00 H new ATOM 0 HG3 GLU A 101 18.714 -0.958 5.594 1.00 1.00 H new ATOM 585 N ALA A 102 16.737 -0.624 2.269 1.00 1.00 N ATOM 586 CA ALA A 102 16.294 -1.219 1.020 1.00 1.00 C ATOM 587 C ALA A 102 17.151 -2.450 0.715 1.00 1.00 C ATOM 588 O ALA A 102 18.299 -2.534 1.149 1.00 1.00 O ATOM 589 CB ALA A 102 16.358 -0.174 -0.095 1.00 1.00 C ATOM 0 H ALA A 102 17.747 -0.514 2.355 1.00 1.00 H new ATOM 0 HA ALA A 102 15.258 -1.549 1.098 1.00 1.00 H new ATOM 0 HB1 ALA A 102 16.026 -0.621 -1.032 1.00 1.00 H new ATOM 0 HB2 ALA A 102 15.711 0.666 0.156 1.00 1.00 H new ATOM 0 HB3 ALA A 102 17.384 0.178 -0.205 1.00 1.00 H new ATOM 595 N GLN A 103 16.560 -3.373 -0.029 1.00 1.00 N ATOM 596 CA GLN A 103 17.255 -4.595 -0.397 1.00 1.00 C ATOM 597 C GLN A 103 17.313 -4.736 -1.919 1.00 1.00 C ATOM 598 O GLN A 103 16.344 -4.428 -2.612 1.00 1.00 O ATOM 599 CB GLN A 103 16.591 -5.817 0.242 1.00 1.00 C ATOM 600 CG GLN A 103 17.232 -7.113 -0.259 1.00 1.00 C ATOM 601 CD GLN A 103 16.720 -8.319 0.532 1.00 1.00 C ATOM 602 OE1 GLN A 103 16.011 -9.172 0.024 1.00 1.00 O ATOM 603 NE2 GLN A 103 17.117 -8.341 1.801 1.00 1.00 N ATOM 0 H GLN A 103 15.608 -3.299 -0.387 1.00 1.00 H new ATOM 0 HA GLN A 103 18.276 -4.537 -0.018 1.00 1.00 H new ATOM 0 HB2 GLN A 103 16.680 -5.758 1.327 1.00 1.00 H new ATOM 0 HB3 GLN A 103 15.526 -5.820 0.010 1.00 1.00 H new ATOM 0 HG2 GLN A 103 17.010 -7.247 -1.318 1.00 1.00 H new ATOM 0 HG3 GLN A 103 18.316 -7.046 -0.166 1.00 1.00 H new ATOM 0 HE21 GLN A 103 17.711 -7.595 2.163 1.00 1.00 H new ATOM 0 HE22 GLN A 103 16.828 -9.104 2.413 1.00 1.00 H new ATOM 612 N THR A 104 18.458 -5.200 -2.396 1.00 1.00 N ATOM 613 CA THR A 104 18.655 -5.385 -3.824 1.00 1.00 C ATOM 614 C THR A 104 19.059 -6.830 -4.124 1.00 1.00 C ATOM 615 O THR A 104 19.399 -7.585 -3.214 1.00 1.00 O ATOM 616 CB THR A 104 19.684 -4.356 -4.296 1.00 1.00 C ATOM 617 OG1 THR A 104 20.816 -4.589 -3.463 1.00 1.00 O ATOM 618 CG2 THR A 104 19.269 -2.920 -3.969 1.00 1.00 C ATOM 0 H THR A 104 19.260 -5.454 -1.819 1.00 1.00 H new ATOM 0 HA THR A 104 17.730 -5.218 -4.376 1.00 1.00 H new ATOM 0 HB THR A 104 19.829 -4.455 -5.372 1.00 1.00 H new ATOM 0 HG1 THR A 104 20.656 -5.380 -2.907 1.00 1.00 H new ATOM 0 HG21 THR A 104 20.034 -2.230 -4.325 1.00 1.00 H new ATOM 0 HG22 THR A 104 18.321 -2.695 -4.458 1.00 1.00 H new ATOM 0 HG23 THR A 104 19.156 -2.811 -2.890 1.00 1.00 H new ATOM 626 N LYS A 105 19.007 -7.171 -5.403 1.00 1.00 N ATOM 627 CA LYS A 105 19.363 -8.512 -5.835 1.00 1.00 C ATOM 628 C LYS A 105 20.882 -8.683 -5.755 1.00 1.00 C ATOM 629 O LYS A 105 21.382 -9.805 -5.694 1.00 1.00 O ATOM 630 CB LYS A 105 18.784 -8.800 -7.221 1.00 1.00 C ATOM 631 CG LYS A 105 18.138 -10.186 -7.268 1.00 1.00 C ATOM 632 CD LYS A 105 19.165 -11.258 -7.639 1.00 1.00 C ATOM 633 CE LYS A 105 19.000 -12.502 -6.763 1.00 1.00 C ATOM 634 NZ LYS A 105 19.772 -12.358 -5.509 1.00 1.00 N ATOM 0 H LYS A 105 18.724 -6.542 -6.154 1.00 1.00 H new ATOM 0 HA LYS A 105 18.923 -9.255 -5.171 1.00 1.00 H new ATOM 0 HB2 LYS A 105 18.044 -8.041 -7.475 1.00 1.00 H new ATOM 0 HB3 LYS A 105 19.574 -8.738 -7.969 1.00 1.00 H new ATOM 0 HG2 LYS A 105 17.698 -10.419 -6.298 1.00 1.00 H new ATOM 0 HG3 LYS A 105 17.326 -10.188 -7.995 1.00 1.00 H new ATOM 0 HD2 LYS A 105 19.049 -11.530 -8.688 1.00 1.00 H new ATOM 0 HD3 LYS A 105 20.172 -10.858 -7.522 1.00 1.00 H new ATOM 0 HE2 LYS A 105 17.946 -12.655 -6.533 1.00 1.00 H new ATOM 0 HE3 LYS A 105 19.338 -13.384 -7.306 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 20.417 -13.167 -5.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 20.324 -11.477 -5.540 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 19.119 -12.329 -4.700 1.00 1.00 H new ATOM 648 N ASN A 106 21.573 -7.552 -5.758 1.00 1.00 N ATOM 649 CA ASN A 106 23.024 -7.563 -5.686 1.00 1.00 C ATOM 650 C ASN A 106 23.458 -7.685 -4.224 1.00 1.00 C ATOM 651 O ASN A 106 24.587 -8.080 -3.939 1.00 1.00 O ATOM 652 CB ASN A 106 23.612 -6.266 -6.247 1.00 1.00 C ATOM 653 CG ASN A 106 22.704 -5.674 -7.326 1.00 1.00 C ATOM 654 OD1 ASN A 106 21.918 -4.772 -7.085 1.00 1.00 O ATOM 655 ND2 ASN A 106 22.855 -6.229 -8.525 1.00 1.00 N ATOM 0 H ASN A 106 21.155 -6.623 -5.809 1.00 1.00 H new ATOM 0 HA ASN A 106 23.384 -8.407 -6.274 1.00 1.00 H new ATOM 0 HB2 ASN A 106 23.744 -5.544 -5.441 1.00 1.00 H new ATOM 0 HB3 ASN A 106 24.600 -6.461 -6.665 1.00 1.00 H new ATOM 0 HD21 ASN A 106 22.294 -5.903 -9.312 1.00 1.00 H new ATOM 0 HD22 ASN A 106 23.532 -6.981 -8.657 1.00 1.00 H new ATOM 662 N GLY A 107 22.538 -7.338 -3.336 1.00 1.00 N ATOM 663 CA GLY A 107 22.810 -7.404 -1.911 1.00 1.00 C ATOM 664 C GLY A 107 21.806 -6.562 -1.121 1.00 1.00 C ATOM 665 O GLY A 107 20.629 -6.504 -1.471 1.00 1.00 O ATOM 0 H GLY A 107 21.603 -7.010 -3.577 1.00 1.00 H new ATOM 0 HA2 GLY A 107 22.764 -8.440 -1.576 1.00 1.00 H new ATOM 0 HA3 GLY A 107 23.822 -7.050 -1.714 1.00 1.00 H new ATOM 669 N GLN A 108 22.309 -5.931 -0.070 1.00 1.00 N ATOM 670 CA GLN A 108 21.471 -5.095 0.773 1.00 1.00 C ATOM 671 C GLN A 108 22.301 -3.973 1.400 1.00 1.00 C ATOM 672 O GLN A 108 23.526 -4.063 1.464 1.00 1.00 O ATOM 673 CB GLN A 108 20.772 -5.928 1.849 1.00 1.00 C ATOM 674 CG GLN A 108 19.348 -5.425 2.092 1.00 1.00 C ATOM 675 CD GLN A 108 18.992 -5.485 3.579 1.00 1.00 C ATOM 676 OE1 GLN A 108 19.781 -5.889 4.417 1.00 1.00 O ATOM 677 NE2 GLN A 108 17.763 -5.061 3.859 1.00 1.00 N ATOM 0 H GLN A 108 23.286 -5.982 0.217 1.00 1.00 H new ATOM 0 HA GLN A 108 20.698 -4.644 0.151 1.00 1.00 H new ATOM 0 HB2 GLN A 108 20.745 -6.974 1.544 1.00 1.00 H new ATOM 0 HB3 GLN A 108 21.341 -5.881 2.777 1.00 1.00 H new ATOM 0 HG2 GLN A 108 19.254 -4.400 1.733 1.00 1.00 H new ATOM 0 HG3 GLN A 108 18.643 -6.029 1.521 1.00 1.00 H new ATOM 0 HE21 GLN A 108 17.153 -4.735 3.109 1.00 1.00 H new ATOM 0 HE22 GLN A 108 17.431 -5.061 4.823 1.00 1.00 H new ATOM 686 N GLY A 109 21.600 -2.941 1.846 1.00 1.00 N ATOM 687 CA GLY A 109 22.256 -1.802 2.466 1.00 1.00 C ATOM 688 C GLY A 109 21.238 -0.730 2.859 1.00 1.00 C ATOM 689 O GLY A 109 20.031 -0.949 2.762 1.00 1.00 O ATOM 0 H GLY A 109 20.584 -2.870 1.790 1.00 1.00 H new ATOM 0 HA2 GLY A 109 22.804 -2.130 3.350 1.00 1.00 H new ATOM 0 HA3 GLY A 109 22.987 -1.379 1.777 1.00 1.00 H new ATOM 693 N TRP A 110 21.762 0.407 3.295 1.00 1.00 N ATOM 694 CA TRP A 110 20.914 1.514 3.703 1.00 1.00 C ATOM 695 C TRP A 110 20.648 2.384 2.473 1.00 1.00 C ATOM 696 O TRP A 110 21.327 2.252 1.456 1.00 1.00 O ATOM 697 CB TRP A 110 21.546 2.290 4.860 1.00 1.00 C ATOM 698 CG TRP A 110 21.100 1.816 6.245 1.00 1.00 C ATOM 699 CD1 TRP A 110 21.730 0.968 7.068 1.00 1.00 C ATOM 700 CD2 TRP A 110 19.894 2.200 6.938 1.00 1.00 C ATOM 701 NE1 TRP A 110 21.022 0.778 8.237 1.00 1.00 N ATOM 702 CE2 TRP A 110 19.870 1.551 8.156 1.00 1.00 C ATOM 703 CE3 TRP A 110 18.858 3.068 6.550 1.00 1.00 C ATOM 704 CZ2 TRP A 110 18.832 1.700 9.084 1.00 1.00 C ATOM 705 CZ3 TRP A 110 17.829 3.206 7.488 1.00 1.00 C ATOM 706 CH2 TRP A 110 17.789 2.560 8.718 1.00 1.00 C ATOM 0 H TRP A 110 22.763 0.585 3.374 1.00 1.00 H new ATOM 0 HA TRP A 110 19.960 1.150 4.084 1.00 1.00 H new ATOM 0 HB2 TRP A 110 22.631 2.206 4.791 1.00 1.00 H new ATOM 0 HB3 TRP A 110 21.300 3.346 4.752 1.00 1.00 H new ATOM 0 HD1 TRP A 110 22.674 0.493 6.845 1.00 1.00 H new ATOM 0 HE1 TRP A 110 21.294 0.180 9.017 1.00 1.00 H new ATOM 0 HE3 TRP A 110 18.857 3.587 5.603 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 18.836 1.180 10.031 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 17.007 3.861 7.239 1.00 1.00 H new ATOM 0 HH2 TRP A 110 16.958 2.720 9.388 1.00 1.00 H new ATOM 717 N VAL A 111 19.658 3.254 2.607 1.00 1.00 N ATOM 718 CA VAL A 111 19.294 4.147 1.519 1.00 1.00 C ATOM 719 C VAL A 111 18.491 5.323 2.077 1.00 1.00 C ATOM 720 O VAL A 111 17.580 5.132 2.882 1.00 1.00 O ATOM 721 CB VAL A 111 18.543 3.371 0.435 1.00 1.00 C ATOM 722 CG1 VAL A 111 17.114 3.051 0.880 1.00 1.00 C ATOM 723 CG2 VAL A 111 18.547 4.136 -0.890 1.00 1.00 C ATOM 0 H VAL A 111 19.097 3.360 3.452 1.00 1.00 H new ATOM 0 HA VAL A 111 20.186 4.558 1.047 1.00 1.00 H new ATOM 0 HB VAL A 111 19.064 2.427 0.277 1.00 1.00 H new ATOM 0 HG11 VAL A 111 16.602 2.499 0.091 1.00 1.00 H new ATOM 0 HG12 VAL A 111 17.142 2.446 1.786 1.00 1.00 H new ATOM 0 HG13 VAL A 111 16.579 3.979 1.079 1.00 1.00 H new ATOM 0 HG21 VAL A 111 18.007 3.562 -1.643 1.00 1.00 H new ATOM 0 HG22 VAL A 111 18.062 5.103 -0.753 1.00 1.00 H new ATOM 0 HG23 VAL A 111 19.575 4.289 -1.219 1.00 1.00 H new ATOM 733 N PRO A 112 18.867 6.546 1.616 1.00 1.00 N ATOM 734 CA PRO A 112 18.192 7.753 2.060 1.00 1.00 C ATOM 735 C PRO A 112 16.818 7.889 1.400 1.00 1.00 C ATOM 736 O PRO A 112 16.634 7.483 0.253 1.00 1.00 O ATOM 737 CB PRO A 112 19.138 8.888 1.701 1.00 1.00 C ATOM 738 CG PRO A 112 20.088 8.323 0.658 1.00 1.00 C ATOM 739 CD PRO A 112 19.941 6.811 0.663 1.00 1.00 C ATOM 0 HA PRO A 112 17.984 7.748 3.130 1.00 1.00 H new ATOM 0 HB2 PRO A 112 18.590 9.744 1.307 1.00 1.00 H new ATOM 0 HB3 PRO A 112 19.683 9.235 2.579 1.00 1.00 H new ATOM 0 HG2 PRO A 112 19.855 8.726 -0.328 1.00 1.00 H new ATOM 0 HG3 PRO A 112 21.116 8.607 0.884 1.00 1.00 H new ATOM 0 HD2 PRO A 112 19.692 6.434 -0.329 1.00 1.00 H new ATOM 0 HD3 PRO A 112 20.868 6.324 0.966 1.00 1.00 H new ATOM 747 N SER A 113 15.889 8.460 2.152 1.00 1.00 N ATOM 748 CA SER A 113 14.538 8.654 1.654 1.00 1.00 C ATOM 749 C SER A 113 14.526 9.751 0.588 1.00 1.00 C ATOM 750 O SER A 113 13.668 9.756 -0.293 1.00 1.00 O ATOM 751 CB SER A 113 13.577 9.007 2.791 1.00 1.00 C ATOM 752 OG SER A 113 12.217 8.793 2.426 1.00 1.00 O ATOM 0 H SER A 113 16.045 8.795 3.103 1.00 1.00 H new ATOM 0 HA SER A 113 14.200 7.719 1.207 1.00 1.00 H new ATOM 0 HB2 SER A 113 13.816 8.405 3.668 1.00 1.00 H new ATOM 0 HB3 SER A 113 13.717 10.051 3.073 1.00 1.00 H new ATOM 0 HG SER A 113 11.635 9.028 3.179 1.00 1.00 H new ATOM 758 N ASN A 114 15.487 10.656 0.704 1.00 1.00 N ATOM 759 CA ASN A 114 15.597 11.756 -0.238 1.00 1.00 C ATOM 760 C ASN A 114 16.101 11.223 -1.581 1.00 1.00 C ATOM 761 O ASN A 114 16.198 11.971 -2.553 1.00 1.00 O ATOM 762 CB ASN A 114 16.592 12.808 0.257 1.00 1.00 C ATOM 763 CG ASN A 114 17.797 12.148 0.932 1.00 1.00 C ATOM 764 OD1 ASN A 114 17.709 11.599 2.018 1.00 1.00 O ATOM 765 ND2 ASN A 114 18.923 12.232 0.230 1.00 1.00 N ATOM 0 H ASN A 114 16.197 10.650 1.437 1.00 1.00 H new ATOM 0 HA ASN A 114 14.612 12.212 -0.341 1.00 1.00 H new ATOM 0 HB2 ASN A 114 16.929 13.418 -0.581 1.00 1.00 H new ATOM 0 HB3 ASN A 114 16.098 13.478 0.961 1.00 1.00 H new ATOM 0 HD21 ASN A 114 19.783 11.822 0.595 1.00 1.00 H new ATOM 0 HD22 ASN A 114 18.927 12.706 -0.673 1.00 1.00 H new ATOM 772 N TYR A 115 16.409 9.934 -1.592 1.00 1.00 N ATOM 773 CA TYR A 115 16.901 9.293 -2.799 1.00 1.00 C ATOM 774 C TYR A 115 15.878 8.295 -3.346 1.00 1.00 C ATOM 775 O TYR A 115 15.943 7.910 -4.512 1.00 1.00 O ATOM 776 CB TYR A 115 18.166 8.535 -2.389 1.00 1.00 C ATOM 777 CG TYR A 115 19.466 9.209 -2.832 1.00 1.00 C ATOM 778 CD1 TYR A 115 19.784 10.469 -2.367 1.00 1.00 C ATOM 779 CD2 TYR A 115 20.321 8.557 -3.697 1.00 1.00 C ATOM 780 CE1 TYR A 115 21.008 11.103 -2.783 1.00 1.00 C ATOM 781 CE2 TYR A 115 21.545 9.191 -4.114 1.00 1.00 C ATOM 782 CZ TYR A 115 21.828 10.432 -3.637 1.00 1.00 C ATOM 783 OH TYR A 115 22.984 11.031 -4.031 1.00 1.00 O ATOM 0 H TYR A 115 16.327 9.317 -0.784 1.00 1.00 H new ATOM 0 HA TYR A 115 17.091 10.033 -3.576 1.00 1.00 H new ATOM 0 HB2 TYR A 115 18.176 8.426 -1.305 1.00 1.00 H new ATOM 0 HB3 TYR A 115 18.128 7.530 -2.810 1.00 1.00 H new ATOM 0 HD1 TYR A 115 19.114 10.980 -1.691 1.00 1.00 H new ATOM 0 HD2 TYR A 115 20.072 7.571 -4.061 1.00 1.00 H new ATOM 0 HE1 TYR A 115 21.269 12.088 -2.426 1.00 1.00 H new ATOM 0 HE2 TYR A 115 22.223 8.692 -4.790 1.00 1.00 H new ATOM 0 HH TYR A 115 23.470 10.436 -4.639 1.00 1.00 H new ATOM 793 N ILE A 116 14.957 7.906 -2.477 1.00 1.00 N ATOM 794 CA ILE A 116 13.921 6.960 -2.858 1.00 1.00 C ATOM 795 C ILE A 116 12.549 7.560 -2.544 1.00 1.00 C ATOM 796 O ILE A 116 12.377 8.227 -1.525 1.00 1.00 O ATOM 797 CB ILE A 116 14.165 5.603 -2.196 1.00 1.00 C ATOM 798 CG1 ILE A 116 15.641 5.210 -2.279 1.00 1.00 C ATOM 799 CG2 ILE A 116 13.252 4.530 -2.792 1.00 1.00 C ATOM 800 CD1 ILE A 116 15.994 4.695 -3.676 1.00 1.00 C ATOM 0 H ILE A 116 14.906 8.228 -1.511 1.00 1.00 H new ATOM 0 HA ILE A 116 13.950 6.774 -3.932 1.00 1.00 H new ATOM 0 HB ILE A 116 13.914 5.689 -1.139 1.00 1.00 H new ATOM 0 HG12 ILE A 116 16.264 6.071 -2.037 1.00 1.00 H new ATOM 0 HG13 ILE A 116 15.858 4.440 -1.538 1.00 1.00 H new ATOM 0 HG21 ILE A 116 13.446 3.575 -2.304 1.00 1.00 H new ATOM 0 HG22 ILE A 116 12.210 4.812 -2.637 1.00 1.00 H new ATOM 0 HG23 ILE A 116 13.448 4.438 -3.860 1.00 1.00 H new ATOM 0 HD11 ILE A 116 17.049 4.423 -3.708 1.00 1.00 H new ATOM 0 HD12 ILE A 116 15.386 3.820 -3.905 1.00 1.00 H new ATOM 0 HD13 ILE A 116 15.799 5.475 -4.412 1.00 1.00 H new ATOM 812 N THR A 117 11.606 7.300 -3.438 1.00 1.00 N ATOM 813 CA THR A 117 10.255 7.806 -3.270 1.00 1.00 C ATOM 814 C THR A 117 9.243 6.660 -3.349 1.00 1.00 C ATOM 815 O THR A 117 9.537 5.605 -3.909 1.00 1.00 O ATOM 816 CB THR A 117 10.023 8.895 -4.319 1.00 1.00 C ATOM 817 OG1 THR A 117 8.660 8.727 -4.698 1.00 1.00 O ATOM 818 CG2 THR A 117 10.804 8.640 -5.610 1.00 1.00 C ATOM 0 H THR A 117 11.752 6.745 -4.281 1.00 1.00 H new ATOM 0 HA THR A 117 10.119 8.251 -2.284 1.00 1.00 H new ATOM 0 HB THR A 117 10.309 9.863 -3.907 1.00 1.00 H new ATOM 0 HG1 THR A 117 8.199 9.591 -4.654 1.00 1.00 H new ATOM 0 HG21 THR A 117 10.604 9.442 -6.321 1.00 1.00 H new ATOM 0 HG22 THR A 117 11.871 8.608 -5.390 1.00 1.00 H new ATOM 0 HG23 THR A 117 10.494 7.688 -6.041 1.00 1.00 H new ATOM 826 N PRO A 118 8.041 6.914 -2.765 1.00 1.00 N ATOM 827 CA PRO A 118 6.985 5.917 -2.765 1.00 1.00 C ATOM 828 C PRO A 118 6.331 5.809 -4.144 1.00 1.00 C ATOM 829 O PRO A 118 6.697 6.536 -5.067 1.00 1.00 O ATOM 830 CB PRO A 118 6.017 6.369 -1.683 1.00 1.00 C ATOM 831 CG PRO A 118 6.322 7.838 -1.439 1.00 1.00 C ATOM 832 CD PRO A 118 7.658 8.152 -2.093 1.00 1.00 C ATOM 0 HA PRO A 118 7.355 4.913 -2.556 1.00 1.00 H new ATOM 0 HB2 PRO A 118 4.984 6.232 -2.001 1.00 1.00 H new ATOM 0 HB3 PRO A 118 6.150 5.786 -0.772 1.00 1.00 H new ATOM 0 HG2 PRO A 118 5.535 8.466 -1.857 1.00 1.00 H new ATOM 0 HG3 PRO A 118 6.362 8.047 -0.370 1.00 1.00 H new ATOM 0 HD2 PRO A 118 7.568 8.976 -2.801 1.00 1.00 H new ATOM 0 HD3 PRO A 118 8.402 8.447 -1.353 1.00 1.00 H new ATOM 840 N VAL A 119 5.376 4.896 -4.242 1.00 1.00 N ATOM 841 CA VAL A 119 4.668 4.685 -5.493 1.00 1.00 C ATOM 842 C VAL A 119 3.443 5.599 -5.542 1.00 1.00 C ATOM 843 O VAL A 119 3.576 6.816 -5.664 1.00 1.00 O ATOM 844 CB VAL A 119 4.316 3.204 -5.650 1.00 1.00 C ATOM 845 CG1 VAL A 119 3.508 2.966 -6.928 1.00 1.00 C ATOM 846 CG2 VAL A 119 5.575 2.335 -5.628 1.00 1.00 C ATOM 0 H VAL A 119 5.076 4.294 -3.475 1.00 1.00 H new ATOM 0 HA VAL A 119 5.302 4.947 -6.340 1.00 1.00 H new ATOM 0 HB VAL A 119 3.696 2.915 -4.802 1.00 1.00 H new ATOM 0 HG11 VAL A 119 3.271 1.906 -7.016 1.00 1.00 H new ATOM 0 HG12 VAL A 119 2.584 3.543 -6.887 1.00 1.00 H new ATOM 0 HG13 VAL A 119 4.093 3.280 -7.792 1.00 1.00 H new ATOM 0 HG21 VAL A 119 5.296 1.287 -5.741 1.00 1.00 H new ATOM 0 HG22 VAL A 119 6.232 2.626 -6.447 1.00 1.00 H new ATOM 0 HG23 VAL A 119 6.095 2.471 -4.680 1.00 1.00 H new ATOM 856 N SER A 120 2.276 4.978 -5.444 1.00 1.00 N ATOM 857 CA SER A 120 1.028 5.722 -5.476 1.00 1.00 C ATOM 858 C SER A 120 0.141 5.306 -4.300 1.00 1.00 C ATOM 859 O SER A 120 -0.326 4.147 -4.324 1.00 1.00 O ATOM 860 CB SER A 120 0.291 5.505 -6.799 1.00 1.00 C ATOM 861 OG SER A 120 -0.368 6.687 -7.243 1.00 1.00 O ATOM 862 OXT SER A 120 -0.088 6.092 -3.383 1.00 1.00 O ATOM 0 H SER A 120 2.169 3.969 -5.342 1.00 1.00 H new ATOM 0 HA SER A 120 1.260 6.784 -5.391 1.00 1.00 H new ATOM 0 HB2 SER A 120 1.000 5.178 -7.559 1.00 1.00 H new ATOM 0 HB3 SER A 120 -0.440 4.705 -6.680 1.00 1.00 H new ATOM 0 HG SER A 120 -0.825 6.508 -8.091 1.00 1.00 H new TER 868 SER A 120