USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 922 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 103 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0745 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.284 USER MOD Single : A 3 SER OG : rot -21:sc= 0.659 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.109 USER MOD Single : A 24 CYS SG : rot 180:sc= -2 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.955 X(o=-0.96,f=-0.93) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -163:sc= 0.568 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.531 F(o=-3.8!,f=-0.53) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 1:sc= 0.0778 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.03 USER MOD Single : A 62 THR OG1 : rot 130:sc= -0.138 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl -156:sc= -0.0122 (180deg=-0.315) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.596 F(o=-2,f=-0.6) USER MOD Single : A 67 ASN :FLIP amide:sc= 0.652 F(o=-1.2,f=0.65) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0804 USER MOD Single : A 70 HIS : no HD1:sc= -0.0197 K(o=-0.02,f=-1.3) USER MOD Single : A 74 HIS : no HD1:sc= -0.5 X(o=-0.5,f=-0.16) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 165:sc=-0.00378 (180deg=-0.138) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -108:sc= -0.056 (180deg=-0.933) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.4) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -45:sc= 0.197 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 19:sc= 0.0113 USER MOD Single : A 102 ASN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 103:sc= 0.626 USER MOD Single : A 109 LYS NZ :NH3+ -136:sc= -0.801 (180deg=-2.52!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.765 -5.532 -32.991 1.00 0.00 N ATOM 2 CA GLY A 1 21.329 -6.741 -32.421 1.00 0.00 C ATOM 3 C GLY A 1 21.727 -7.750 -33.481 1.00 0.00 C ATOM 4 O GLY A 1 21.422 -7.574 -34.660 1.00 0.00 O ATOM 0 H1 GLY A 1 21.382 -4.724 -32.771 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.688 -5.638 -34.023 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.820 -5.366 -32.589 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.203 -6.484 -31.822 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.603 -7.194 -31.746 1.00 0.00 H new ATOM 8 N SER A 2 22.413 -8.808 -33.060 1.00 0.00 N ATOM 9 CA SER A 2 22.858 -9.846 -33.982 1.00 0.00 C ATOM 10 C SER A 2 23.109 -11.157 -33.243 1.00 0.00 C ATOM 11 O SER A 2 23.966 -11.233 -32.362 1.00 0.00 O ATOM 12 CB SER A 2 24.131 -9.403 -34.705 1.00 0.00 C ATOM 13 OG SER A 2 25.143 -9.043 -33.781 1.00 0.00 O ATOM 0 H SER A 2 22.672 -8.969 -32.087 1.00 0.00 H new ATOM 0 HA SER A 2 22.069 -10.008 -34.717 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.489 -10.209 -35.345 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.908 -8.556 -35.354 1.00 0.00 H new ATOM 0 HG SER A 2 25.070 -9.605 -32.981 1.00 0.00 H new ATOM 19 N SER A 3 22.356 -12.189 -33.610 1.00 0.00 N ATOM 20 CA SER A 3 22.493 -13.497 -32.981 1.00 0.00 C ATOM 21 C SER A 3 22.654 -13.359 -31.470 1.00 0.00 C ATOM 22 O SER A 3 23.475 -14.041 -30.857 1.00 0.00 O ATOM 23 CB SER A 3 23.692 -14.246 -33.566 1.00 0.00 C ATOM 24 OG SER A 3 24.911 -13.740 -33.051 1.00 0.00 O ATOM 0 H SER A 3 21.645 -12.144 -34.340 1.00 0.00 H new ATOM 0 HA SER A 3 21.585 -14.066 -33.182 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.609 -15.308 -33.335 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.687 -14.155 -34.652 1.00 0.00 H new ATOM 0 HG SER A 3 24.771 -12.831 -32.713 1.00 0.00 H new ATOM 30 N GLY A 4 21.862 -12.472 -30.875 1.00 0.00 N ATOM 31 CA GLY A 4 21.931 -12.259 -29.442 1.00 0.00 C ATOM 32 C GLY A 4 20.616 -11.776 -28.863 1.00 0.00 C ATOM 33 O GLY A 4 20.250 -10.613 -29.021 1.00 0.00 O ATOM 0 H GLY A 4 21.174 -11.897 -31.361 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.220 -13.189 -28.953 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.710 -11.529 -29.224 1.00 0.00 H new ATOM 37 N SER A 5 19.902 -12.674 -28.191 1.00 0.00 N ATOM 38 CA SER A 5 18.617 -12.336 -27.591 1.00 0.00 C ATOM 39 C SER A 5 18.205 -13.383 -26.561 1.00 0.00 C ATOM 40 O SER A 5 18.720 -14.500 -26.555 1.00 0.00 O ATOM 41 CB SER A 5 17.540 -12.217 -28.673 1.00 0.00 C ATOM 42 OG SER A 5 16.363 -11.619 -28.158 1.00 0.00 O ATOM 0 H SER A 5 20.192 -13.641 -28.049 1.00 0.00 H new ATOM 0 HA SER A 5 18.722 -11.376 -27.085 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.920 -11.623 -29.504 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.306 -13.206 -29.068 1.00 0.00 H new ATOM 0 HG SER A 5 15.692 -11.553 -28.869 1.00 0.00 H new ATOM 48 N SER A 6 17.273 -13.011 -25.689 1.00 0.00 N ATOM 49 CA SER A 6 16.793 -13.915 -24.650 1.00 0.00 C ATOM 50 C SER A 6 15.274 -14.050 -24.705 1.00 0.00 C ATOM 51 O SER A 6 14.559 -13.064 -24.874 1.00 0.00 O ATOM 52 CB SER A 6 17.223 -13.415 -23.270 1.00 0.00 C ATOM 53 OG SER A 6 18.625 -13.528 -23.100 1.00 0.00 O ATOM 0 H SER A 6 16.835 -12.090 -25.681 1.00 0.00 H new ATOM 0 HA SER A 6 17.233 -14.896 -24.826 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.921 -12.375 -23.147 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.712 -13.989 -22.497 1.00 0.00 H new ATOM 0 HG SER A 6 18.874 -13.200 -22.211 1.00 0.00 H new ATOM 59 N GLY A 7 14.790 -15.280 -24.562 1.00 0.00 N ATOM 60 CA GLY A 7 13.359 -15.522 -24.598 1.00 0.00 C ATOM 61 C GLY A 7 12.680 -14.813 -25.753 1.00 0.00 C ATOM 62 O GLY A 7 11.962 -13.833 -25.551 1.00 0.00 O ATOM 0 H GLY A 7 15.362 -16.113 -24.422 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.177 -16.594 -24.676 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.914 -15.190 -23.660 1.00 0.00 H new ATOM 66 N GLU A 8 12.909 -15.306 -26.966 1.00 0.00 N ATOM 67 CA GLU A 8 12.315 -14.711 -28.157 1.00 0.00 C ATOM 68 C GLU A 8 11.459 -15.729 -28.905 1.00 0.00 C ATOM 69 O GLU A 8 10.774 -15.390 -29.871 1.00 0.00 O ATOM 70 CB GLU A 8 13.407 -14.167 -29.081 1.00 0.00 C ATOM 71 CG GLU A 8 12.885 -13.217 -30.146 1.00 0.00 C ATOM 72 CD GLU A 8 13.998 -12.484 -30.869 1.00 0.00 C ATOM 73 OE1 GLU A 8 14.960 -13.148 -31.308 1.00 0.00 O ATOM 74 OE2 GLU A 8 13.907 -11.245 -30.995 1.00 0.00 O ATOM 0 H GLU A 8 13.501 -16.116 -27.150 1.00 0.00 H new ATOM 0 HA GLU A 8 11.675 -13.888 -27.840 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.155 -13.650 -28.480 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.910 -15.003 -29.567 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.294 -13.778 -30.870 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.217 -12.490 -29.684 1.00 0.00 H new ATOM 81 N VAL A 9 11.505 -16.977 -28.454 1.00 0.00 N ATOM 82 CA VAL A 9 10.735 -18.046 -29.079 1.00 0.00 C ATOM 83 C VAL A 9 9.357 -18.177 -28.439 1.00 0.00 C ATOM 84 O VAL A 9 8.392 -18.576 -29.093 1.00 0.00 O ATOM 85 CB VAL A 9 11.466 -19.398 -28.980 1.00 0.00 C ATOM 86 CG1 VAL A 9 10.620 -20.508 -29.585 1.00 0.00 C ATOM 87 CG2 VAL A 9 12.824 -19.319 -29.661 1.00 0.00 C ATOM 0 H VAL A 9 12.068 -17.274 -27.657 1.00 0.00 H new ATOM 0 HA VAL A 9 10.621 -17.780 -30.130 1.00 0.00 H new ATOM 0 HB VAL A 9 11.626 -19.630 -27.927 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.153 -21.456 -29.506 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.674 -20.578 -29.049 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.426 -20.287 -30.635 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.327 -20.283 -29.582 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.690 -19.065 -30.712 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.430 -18.553 -29.177 1.00 0.00 H new ATOM 97 N LEU A 10 9.272 -17.840 -27.157 1.00 0.00 N ATOM 98 CA LEU A 10 8.011 -17.919 -26.427 1.00 0.00 C ATOM 99 C LEU A 10 6.959 -17.012 -27.058 1.00 0.00 C ATOM 100 O LEU A 10 7.112 -15.791 -27.081 1.00 0.00 O ATOM 101 CB LEU A 10 8.223 -17.533 -24.963 1.00 0.00 C ATOM 102 CG LEU A 10 7.303 -18.215 -23.949 1.00 0.00 C ATOM 103 CD1 LEU A 10 7.729 -17.879 -22.529 1.00 0.00 C ATOM 104 CD2 LEU A 10 5.856 -17.806 -24.184 1.00 0.00 C ATOM 0 H LEU A 10 10.061 -17.509 -26.601 1.00 0.00 H new ATOM 0 HA LEU A 10 7.653 -18.947 -26.477 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.255 -17.757 -24.695 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.096 -16.454 -24.870 1.00 0.00 H new ATOM 0 HG LEU A 10 7.383 -19.294 -24.084 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.062 -18.373 -21.822 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.751 -18.222 -22.365 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.680 -16.800 -22.380 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.215 -18.300 -23.454 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.761 -16.725 -24.077 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.554 -18.099 -25.189 1.00 0.00 H new ATOM 116 N ALA A 11 5.890 -17.618 -27.564 1.00 0.00 N ATOM 117 CA ALA A 11 4.810 -16.865 -28.190 1.00 0.00 C ATOM 118 C ALA A 11 4.403 -15.672 -27.331 1.00 0.00 C ATOM 119 O ALA A 11 4.898 -15.499 -26.217 1.00 0.00 O ATOM 120 CB ALA A 11 3.614 -17.769 -28.442 1.00 0.00 C ATOM 0 H ALA A 11 5.749 -18.628 -27.553 1.00 0.00 H new ATOM 0 HA ALA A 11 5.171 -16.485 -29.145 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.815 -17.194 -28.910 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.908 -18.585 -29.102 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.261 -18.177 -27.495 1.00 0.00 H new ATOM 126 N LYS A 12 3.500 -14.853 -27.856 1.00 0.00 N ATOM 127 CA LYS A 12 3.024 -13.676 -27.138 1.00 0.00 C ATOM 128 C LYS A 12 2.513 -14.055 -25.752 1.00 0.00 C ATOM 129 O LYS A 12 1.413 -14.586 -25.610 1.00 0.00 O ATOM 130 CB LYS A 12 1.913 -12.983 -27.930 1.00 0.00 C ATOM 131 CG LYS A 12 1.066 -12.040 -27.094 1.00 0.00 C ATOM 132 CD LYS A 12 1.868 -10.837 -26.625 1.00 0.00 C ATOM 133 CE LYS A 12 2.078 -9.835 -27.751 1.00 0.00 C ATOM 134 NZ LYS A 12 3.091 -8.804 -27.393 1.00 0.00 N ATOM 0 H LYS A 12 3.082 -14.982 -28.777 1.00 0.00 H new ATOM 0 HA LYS A 12 3.862 -12.989 -27.023 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.359 -12.424 -28.752 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.267 -13.741 -28.373 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.211 -11.702 -27.679 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.670 -12.574 -26.230 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.350 -10.353 -25.797 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.835 -11.168 -26.246 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.397 -10.361 -28.651 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.131 -9.348 -27.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.206 -8.140 -28.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.775 -8.285 -26.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.001 -9.266 -27.194 1.00 0.00 H new ATOM 148 N GLU A 13 3.319 -13.775 -24.731 1.00 0.00 N ATOM 149 CA GLU A 13 2.947 -14.087 -23.357 1.00 0.00 C ATOM 150 C GLU A 13 3.503 -13.043 -22.393 1.00 0.00 C ATOM 151 O GLU A 13 4.701 -12.766 -22.387 1.00 0.00 O ATOM 152 CB GLU A 13 3.455 -15.478 -22.969 1.00 0.00 C ATOM 153 CG GLU A 13 3.045 -16.569 -23.944 1.00 0.00 C ATOM 154 CD GLU A 13 2.868 -17.916 -23.272 1.00 0.00 C ATOM 155 OE1 GLU A 13 3.488 -18.135 -22.210 1.00 0.00 O ATOM 156 OE2 GLU A 13 2.109 -18.750 -23.807 1.00 0.00 O ATOM 0 H GLU A 13 4.233 -13.333 -24.831 1.00 0.00 H new ATOM 0 HA GLU A 13 1.859 -14.075 -23.291 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.543 -15.453 -22.901 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.080 -15.729 -21.977 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.112 -16.284 -24.430 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.799 -16.654 -24.726 1.00 0.00 H new ATOM 163 N GLU A 14 2.622 -12.469 -21.579 1.00 0.00 N ATOM 164 CA GLU A 14 3.025 -11.455 -20.612 1.00 0.00 C ATOM 165 C GLU A 14 2.132 -11.498 -19.375 1.00 0.00 C ATOM 166 O GLU A 14 0.908 -11.436 -19.477 1.00 0.00 O ATOM 167 CB GLU A 14 2.970 -10.063 -21.246 1.00 0.00 C ATOM 168 CG GLU A 14 4.264 -9.652 -21.925 1.00 0.00 C ATOM 169 CD GLU A 14 4.043 -8.662 -23.053 1.00 0.00 C ATOM 170 OE1 GLU A 14 3.002 -8.765 -23.736 1.00 0.00 O ATOM 171 OE2 GLU A 14 4.909 -7.786 -23.253 1.00 0.00 O ATOM 0 H GLU A 14 1.626 -12.689 -21.570 1.00 0.00 H new ATOM 0 HA GLU A 14 4.050 -11.667 -20.307 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.162 -10.038 -21.977 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.726 -9.332 -20.476 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.933 -9.212 -21.186 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.762 -10.539 -22.317 1.00 0.00 H new ATOM 178 N ALA A 15 2.756 -11.604 -18.206 1.00 0.00 N ATOM 179 CA ALA A 15 2.020 -11.654 -16.949 1.00 0.00 C ATOM 180 C ALA A 15 2.341 -10.446 -16.076 1.00 0.00 C ATOM 181 O ALA A 15 3.473 -9.963 -16.060 1.00 0.00 O ATOM 182 CB ALA A 15 2.335 -12.943 -16.204 1.00 0.00 C ATOM 0 H ALA A 15 3.769 -11.657 -18.104 1.00 0.00 H new ATOM 0 HA ALA A 15 0.955 -11.630 -17.180 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.779 -12.967 -15.267 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.049 -13.797 -16.818 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.403 -12.989 -15.993 1.00 0.00 H new ATOM 188 N ARG A 16 1.337 -9.961 -15.353 1.00 0.00 N ATOM 189 CA ARG A 16 1.512 -8.807 -14.480 1.00 0.00 C ATOM 190 C ARG A 16 1.611 -9.240 -13.019 1.00 0.00 C ATOM 191 O ARG A 16 2.023 -8.464 -12.157 1.00 0.00 O ATOM 192 CB ARG A 16 0.351 -7.827 -14.654 1.00 0.00 C ATOM 193 CG ARG A 16 0.582 -6.797 -15.748 1.00 0.00 C ATOM 194 CD ARG A 16 0.298 -7.374 -17.126 1.00 0.00 C ATOM 195 NE ARG A 16 0.247 -6.338 -18.153 1.00 0.00 N ATOM 196 CZ ARG A 16 -0.112 -6.568 -19.412 1.00 0.00 C ATOM 197 NH1 ARG A 16 -0.449 -7.792 -19.795 1.00 0.00 N ATOM 198 NH2 ARG A 16 -0.134 -5.573 -20.289 1.00 0.00 N ATOM 0 H ARG A 16 0.394 -10.349 -15.355 1.00 0.00 H new ATOM 0 HA ARG A 16 2.442 -8.311 -14.759 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.556 -8.388 -14.880 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.179 -7.310 -13.710 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.058 -5.932 -15.576 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.613 -6.444 -15.705 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.070 -8.100 -17.381 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.650 -7.911 -17.106 1.00 0.00 H new ATOM 0 HE ARG A 16 0.501 -5.386 -17.890 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.433 -8.559 -19.123 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.724 -7.966 -20.762 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.125 -4.630 -19.997 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.410 -5.751 -21.255 1.00 0.00 H new ATOM 212 N ARG A 17 1.229 -10.485 -12.750 1.00 0.00 N ATOM 213 CA ARG A 17 1.272 -11.020 -11.395 1.00 0.00 C ATOM 214 C ARG A 17 0.957 -9.933 -10.370 1.00 0.00 C ATOM 215 O ARG A 17 1.573 -9.873 -9.306 1.00 0.00 O ATOM 216 CB ARG A 17 2.647 -11.625 -11.107 1.00 0.00 C ATOM 217 CG ARG A 17 2.622 -12.721 -10.053 1.00 0.00 C ATOM 218 CD ARG A 17 2.043 -14.012 -10.606 1.00 0.00 C ATOM 219 NE ARG A 17 3.010 -14.742 -11.421 1.00 0.00 N ATOM 220 CZ ARG A 17 2.798 -15.964 -11.896 1.00 0.00 C ATOM 221 NH1 ARG A 17 1.659 -16.591 -11.637 1.00 0.00 N ATOM 222 NH2 ARG A 17 3.727 -16.563 -12.630 1.00 0.00 N ATOM 0 H ARG A 17 0.887 -11.141 -13.452 1.00 0.00 H new ATOM 0 HA ARG A 17 0.515 -11.800 -11.315 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.057 -12.031 -12.032 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.322 -10.834 -10.780 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.634 -12.901 -9.690 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.030 -12.392 -9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.714 -14.644 -9.781 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.161 -13.786 -11.206 1.00 0.00 H new ATOM 0 HE ARG A 17 3.897 -14.288 -11.637 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.943 -16.135 -11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.499 -17.529 -12.003 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.606 -16.085 -12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.563 -17.502 -12.994 1.00 0.00 H new ATOM 236 N ALA A 18 -0.004 -9.078 -10.699 1.00 0.00 N ATOM 237 CA ALA A 18 -0.402 -7.995 -9.808 1.00 0.00 C ATOM 238 C ALA A 18 -1.865 -8.129 -9.400 1.00 0.00 C ATOM 239 O ALA A 18 -2.586 -7.136 -9.302 1.00 0.00 O ATOM 240 CB ALA A 18 -0.158 -6.649 -10.472 1.00 0.00 C ATOM 0 H ALA A 18 -0.522 -9.114 -11.577 1.00 0.00 H new ATOM 0 HA ALA A 18 0.206 -8.058 -8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.460 -5.849 -9.795 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.901 -6.546 -10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.741 -6.586 -11.391 1.00 0.00 H new ATOM 246 N LEU A 19 -2.298 -9.363 -9.164 1.00 0.00 N ATOM 247 CA LEU A 19 -3.677 -9.627 -8.766 1.00 0.00 C ATOM 248 C LEU A 19 -3.794 -9.744 -7.250 1.00 0.00 C ATOM 249 O LEU A 19 -4.544 -9.002 -6.617 1.00 0.00 O ATOM 250 CB LEU A 19 -4.183 -10.909 -9.429 1.00 0.00 C ATOM 251 CG LEU A 19 -4.464 -10.823 -10.929 1.00 0.00 C ATOM 252 CD1 LEU A 19 -3.165 -10.856 -11.719 1.00 0.00 C ATOM 253 CD2 LEU A 19 -5.384 -11.954 -11.365 1.00 0.00 C ATOM 0 H LEU A 19 -1.715 -10.196 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.291 -8.788 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.447 -11.695 -9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.099 -11.218 -8.925 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.964 -9.876 -11.131 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.386 -10.794 -12.785 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.540 -10.011 -11.428 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.637 -11.787 -11.512 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.573 -11.877 -12.436 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.911 -12.912 -11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.328 -11.885 -10.824 1.00 0.00 H new ATOM 265 N GLU A 20 -3.044 -10.679 -6.675 1.00 0.00 N ATOM 266 CA GLU A 20 -3.064 -10.891 -5.232 1.00 0.00 C ATOM 267 C GLU A 20 -3.114 -9.561 -4.486 1.00 0.00 C ATOM 268 O GLU A 20 -3.971 -9.349 -3.628 1.00 0.00 O ATOM 269 CB GLU A 20 -1.832 -11.687 -4.794 1.00 0.00 C ATOM 270 CG GLU A 20 -1.902 -13.162 -5.153 1.00 0.00 C ATOM 271 CD GLU A 20 -0.579 -13.875 -4.949 1.00 0.00 C ATOM 272 OE1 GLU A 20 0.251 -13.860 -5.882 1.00 0.00 O ATOM 273 OE2 GLU A 20 -0.374 -14.447 -3.858 1.00 0.00 O ATOM 0 H GLU A 20 -2.416 -11.301 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.962 -11.459 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.945 -11.251 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.711 -11.589 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.668 -13.644 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.209 -13.265 -6.194 1.00 0.00 H new ATOM 280 N THR A 21 -2.189 -8.667 -4.820 1.00 0.00 N ATOM 281 CA THR A 21 -2.126 -7.358 -4.182 1.00 0.00 C ATOM 282 C THR A 21 -2.399 -6.244 -5.187 1.00 0.00 C ATOM 283 O THR A 21 -2.143 -6.376 -6.383 1.00 0.00 O ATOM 284 CB THR A 21 -0.753 -7.118 -3.527 1.00 0.00 C ATOM 285 OG1 THR A 21 0.173 -6.618 -4.499 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.213 -8.403 -2.918 1.00 0.00 C ATOM 0 H THR A 21 -1.473 -8.826 -5.529 1.00 0.00 H new ATOM 0 HA THR A 21 -2.895 -7.345 -3.410 1.00 0.00 H new ATOM 0 HB THR A 21 -0.877 -6.382 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.043 -6.466 -4.074 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.758 -8.209 -2.461 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.906 -8.765 -2.158 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.103 -9.157 -3.697 1.00 0.00 H new ATOM 294 N PRO A 22 -2.931 -5.117 -4.690 1.00 0.00 N ATOM 295 CA PRO A 22 -3.249 -3.956 -5.528 1.00 0.00 C ATOM 296 C PRO A 22 -1.998 -3.255 -6.045 1.00 0.00 C ATOM 297 O PRO A 22 -1.066 -2.989 -5.288 1.00 0.00 O ATOM 298 CB PRO A 22 -4.024 -3.037 -4.581 1.00 0.00 C ATOM 299 CG PRO A 22 -3.554 -3.413 -3.218 1.00 0.00 C ATOM 300 CD PRO A 22 -3.261 -4.888 -3.274 1.00 0.00 C ATOM 0 HA PRO A 22 -3.806 -4.238 -6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.821 -1.987 -4.794 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.100 -3.181 -4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.663 -2.848 -2.943 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.315 -3.194 -2.469 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.432 -5.158 -2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.121 -5.481 -2.961 1.00 0.00 H new ATOM 308 N SER A 23 -1.985 -2.956 -7.341 1.00 0.00 N ATOM 309 CA SER A 23 -0.847 -2.287 -7.960 1.00 0.00 C ATOM 310 C SER A 23 -0.233 -1.266 -7.008 1.00 0.00 C ATOM 311 O SER A 23 0.966 -1.303 -6.731 1.00 0.00 O ATOM 312 CB SER A 23 -1.277 -1.599 -9.257 1.00 0.00 C ATOM 313 OG SER A 23 -2.333 -0.684 -9.023 1.00 0.00 O ATOM 0 H SER A 23 -2.750 -3.167 -7.982 1.00 0.00 H new ATOM 0 HA SER A 23 -0.094 -3.041 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.427 -1.074 -9.693 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.595 -2.348 -9.982 1.00 0.00 H new ATOM 0 HG SER A 23 -2.588 -0.256 -9.867 1.00 0.00 H new ATOM 319 N CYS A 24 -1.063 -0.356 -6.511 1.00 0.00 N ATOM 320 CA CYS A 24 -0.602 0.677 -5.590 1.00 0.00 C ATOM 321 C CYS A 24 0.447 0.123 -4.632 1.00 0.00 C ATOM 322 O CYS A 24 1.479 0.751 -4.395 1.00 0.00 O ATOM 323 CB CYS A 24 -1.781 1.246 -4.800 1.00 0.00 C ATOM 324 SG CYS A 24 -2.607 0.042 -3.734 1.00 0.00 S ATOM 0 H CYS A 24 -2.058 -0.312 -6.730 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.146 1.475 -6.176 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.427 2.075 -4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.510 1.655 -5.500 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.588 0.619 -3.106 1.00 0.00 H new ATOM 330 N PHE A 25 0.177 -1.057 -4.084 1.00 0.00 N ATOM 331 CA PHE A 25 1.097 -1.695 -3.149 1.00 0.00 C ATOM 332 C PHE A 25 2.511 -1.735 -3.720 1.00 0.00 C ATOM 333 O PHE A 25 2.706 -1.639 -4.933 1.00 0.00 O ATOM 334 CB PHE A 25 0.626 -3.114 -2.826 1.00 0.00 C ATOM 335 CG PHE A 25 1.503 -3.826 -1.836 1.00 0.00 C ATOM 336 CD1 PHE A 25 1.353 -3.611 -0.476 1.00 0.00 C ATOM 337 CD2 PHE A 25 2.478 -4.711 -2.267 1.00 0.00 C ATOM 338 CE1 PHE A 25 2.159 -4.264 0.437 1.00 0.00 C ATOM 339 CE2 PHE A 25 3.287 -5.368 -1.359 1.00 0.00 C ATOM 340 CZ PHE A 25 3.129 -5.143 -0.005 1.00 0.00 C ATOM 0 H PHE A 25 -0.672 -1.591 -4.271 1.00 0.00 H new ATOM 0 HA PHE A 25 1.110 -1.106 -2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.390 -3.071 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.587 -3.694 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.597 -2.925 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.607 -4.890 -3.324 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.031 -4.087 1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.042 -6.057 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.762 -5.653 0.706 1.00 0.00 H new ATOM 350 N LEU A 26 3.495 -1.875 -2.838 1.00 0.00 N ATOM 351 CA LEU A 26 4.892 -1.927 -3.253 1.00 0.00 C ATOM 352 C LEU A 26 5.725 -2.733 -2.261 1.00 0.00 C ATOM 353 O LEU A 26 5.358 -2.872 -1.094 1.00 0.00 O ATOM 354 CB LEU A 26 5.459 -0.512 -3.381 1.00 0.00 C ATOM 355 CG LEU A 26 4.760 0.568 -2.557 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.859 0.255 -1.072 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.355 1.936 -2.856 1.00 0.00 C ATOM 0 H LEU A 26 3.351 -1.954 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 26 4.939 -2.420 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.510 -0.536 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.422 -0.221 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 26 3.706 0.584 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.355 1.035 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.385 -0.705 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.908 0.211 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.845 2.693 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.416 1.933 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.231 2.163 -3.915 1.00 0.00 H new ATOM 369 N LYS A 27 6.849 -3.261 -2.731 1.00 0.00 N ATOM 370 CA LYS A 27 7.737 -4.051 -1.887 1.00 0.00 C ATOM 371 C LYS A 27 8.948 -3.230 -1.455 1.00 0.00 C ATOM 372 O LYS A 27 9.868 -3.001 -2.241 1.00 0.00 O ATOM 373 CB LYS A 27 8.197 -5.307 -2.628 1.00 0.00 C ATOM 374 CG LYS A 27 7.117 -6.368 -2.756 1.00 0.00 C ATOM 375 CD LYS A 27 6.286 -6.169 -4.011 1.00 0.00 C ATOM 376 CE LYS A 27 5.273 -7.290 -4.193 1.00 0.00 C ATOM 377 NZ LYS A 27 5.876 -8.482 -4.851 1.00 0.00 N ATOM 0 H LYS A 27 7.167 -3.156 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 27 7.183 -4.346 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.539 -5.026 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.053 -5.734 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.577 -7.356 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.469 -6.336 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.766 -5.213 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.942 -6.126 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.870 -7.577 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.436 -6.930 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.154 -9.223 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.238 -8.215 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.658 -8.842 -4.268 1.00 0.00 H new ATOM 391 N VAL A 28 8.944 -2.792 -0.200 1.00 0.00 N ATOM 392 CA VAL A 28 10.045 -2.000 0.337 1.00 0.00 C ATOM 393 C VAL A 28 10.224 -2.249 1.830 1.00 0.00 C ATOM 394 O VAL A 28 9.440 -2.969 2.448 1.00 0.00 O ATOM 395 CB VAL A 28 9.818 -0.494 0.102 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.399 -0.234 -1.336 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.780 0.046 1.075 1.00 0.00 C ATOM 0 H VAL A 28 8.191 -2.972 0.464 1.00 0.00 H new ATOM 0 HA VAL A 28 10.947 -2.311 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 28 10.757 0.029 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.243 0.835 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.180 -0.583 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.472 -0.768 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.632 1.111 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.837 -0.481 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.127 -0.104 2.097 1.00 0.00 H new ATOM 407 N SER A 29 11.262 -1.650 2.403 1.00 0.00 N ATOM 408 CA SER A 29 11.548 -1.810 3.825 1.00 0.00 C ATOM 409 C SER A 29 10.710 -0.846 4.659 1.00 0.00 C ATOM 410 O SER A 29 10.258 0.188 4.165 1.00 0.00 O ATOM 411 CB SER A 29 13.036 -1.578 4.097 1.00 0.00 C ATOM 412 OG SER A 29 13.832 -2.544 3.433 1.00 0.00 O ATOM 0 H SER A 29 11.919 -1.049 1.905 1.00 0.00 H new ATOM 0 HA SER A 29 11.289 -2.830 4.110 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.318 -0.579 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.224 -1.622 5.170 1.00 0.00 H new ATOM 0 HG SER A 29 14.778 -2.373 3.621 1.00 0.00 H new ATOM 418 N ARG A 30 10.509 -1.190 5.926 1.00 0.00 N ATOM 419 CA ARG A 30 9.725 -0.356 6.830 1.00 0.00 C ATOM 420 C ARG A 30 10.084 1.117 6.659 1.00 0.00 C ATOM 421 O ARG A 30 9.205 1.974 6.558 1.00 0.00 O ATOM 422 CB ARG A 30 9.956 -0.783 8.281 1.00 0.00 C ATOM 423 CG ARG A 30 9.356 0.172 9.299 1.00 0.00 C ATOM 424 CD ARG A 30 10.345 1.257 9.697 1.00 0.00 C ATOM 425 NE ARG A 30 11.173 0.854 10.829 1.00 0.00 N ATOM 426 CZ ARG A 30 10.798 0.982 12.098 1.00 0.00 C ATOM 427 NH1 ARG A 30 9.612 1.499 12.392 1.00 0.00 N ATOM 428 NH2 ARG A 30 11.608 0.591 13.073 1.00 0.00 N ATOM 0 H ARG A 30 10.878 -2.041 6.351 1.00 0.00 H new ATOM 0 HA ARG A 30 8.671 -0.487 6.583 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.530 -1.775 8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.028 -0.866 8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.459 0.631 8.884 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.049 -0.384 10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.984 1.494 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.802 2.167 9.951 1.00 0.00 H new ATOM 0 HE ARG A 30 12.090 0.452 10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.987 1.799 11.644 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.325 1.597 13.366 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.520 0.192 12.849 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.319 0.690 14.046 1.00 0.00 H new ATOM 442 N LEU A 31 11.381 1.405 6.627 1.00 0.00 N ATOM 443 CA LEU A 31 11.856 2.775 6.470 1.00 0.00 C ATOM 444 C LEU A 31 11.655 3.259 5.038 1.00 0.00 C ATOM 445 O LEU A 31 11.070 4.317 4.808 1.00 0.00 O ATOM 446 CB LEU A 31 13.336 2.868 6.847 1.00 0.00 C ATOM 447 CG LEU A 31 13.710 2.337 8.233 1.00 0.00 C ATOM 448 CD1 LEU A 31 15.194 2.011 8.296 1.00 0.00 C ATOM 449 CD2 LEU A 31 13.337 3.347 9.309 1.00 0.00 C ATOM 0 H LEU A 31 12.122 0.708 6.708 1.00 0.00 H new ATOM 0 HA LEU A 31 11.276 3.414 7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.915 2.322 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.641 3.913 6.785 1.00 0.00 H new ATOM 0 HG LEU A 31 13.150 1.420 8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.442 1.635 9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.432 1.252 7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.773 2.912 8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.610 2.953 10.288 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.870 4.281 9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.263 3.531 9.279 1.00 0.00 H new ATOM 461 N GLU A 32 12.140 2.477 4.079 1.00 0.00 N ATOM 462 CA GLU A 32 12.011 2.827 2.670 1.00 0.00 C ATOM 463 C GLU A 32 10.641 3.436 2.384 1.00 0.00 C ATOM 464 O GLU A 32 10.541 4.558 1.887 1.00 0.00 O ATOM 465 CB GLU A 32 12.225 1.592 1.793 1.00 0.00 C ATOM 466 CG GLU A 32 13.681 1.170 1.680 1.00 0.00 C ATOM 467 CD GLU A 32 14.536 2.209 0.982 1.00 0.00 C ATOM 468 OE1 GLU A 32 14.019 2.892 0.073 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.724 2.338 1.343 1.00 0.00 O ATOM 0 H GLU A 32 12.626 1.597 4.252 1.00 0.00 H new ATOM 0 HA GLU A 32 12.775 3.568 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.646 0.763 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.835 1.793 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.081 0.986 2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.741 0.229 1.134 1.00 0.00 H new ATOM 476 N ALA A 33 9.590 2.688 2.701 1.00 0.00 N ATOM 477 CA ALA A 33 8.227 3.154 2.480 1.00 0.00 C ATOM 478 C ALA A 33 8.026 4.554 3.048 1.00 0.00 C ATOM 479 O ALA A 33 7.515 5.442 2.366 1.00 0.00 O ATOM 480 CB ALA A 33 7.231 2.183 3.098 1.00 0.00 C ATOM 0 H ALA A 33 9.656 1.757 3.112 1.00 0.00 H new ATOM 0 HA ALA A 33 8.055 3.199 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.217 2.543 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.350 1.200 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.412 2.109 4.170 1.00 0.00 H new ATOM 486 N GLN A 34 8.431 4.743 4.300 1.00 0.00 N ATOM 487 CA GLN A 34 8.294 6.037 4.959 1.00 0.00 C ATOM 488 C GLN A 34 8.887 7.151 4.103 1.00 0.00 C ATOM 489 O GLN A 34 8.161 7.987 3.563 1.00 0.00 O ATOM 490 CB GLN A 34 8.978 6.011 6.328 1.00 0.00 C ATOM 491 CG GLN A 34 8.474 7.083 7.281 1.00 0.00 C ATOM 492 CD GLN A 34 8.956 8.470 6.904 1.00 0.00 C ATOM 493 OE1 GLN A 34 10.131 8.798 7.070 1.00 0.00 O ATOM 494 NE2 GLN A 34 8.049 9.295 6.393 1.00 0.00 N ATOM 0 H GLN A 34 8.856 4.018 4.878 1.00 0.00 H new ATOM 0 HA GLN A 34 7.231 6.236 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.826 5.032 6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.052 6.135 6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.384 7.071 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.805 6.850 8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.086 8.982 6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.316 10.241 6.121 1.00 0.00 H new ATOM 503 N LEU A 35 10.210 7.157 3.982 1.00 0.00 N ATOM 504 CA LEU A 35 10.901 8.168 3.190 1.00 0.00 C ATOM 505 C LEU A 35 10.294 8.276 1.795 1.00 0.00 C ATOM 506 O LEU A 35 10.151 9.371 1.251 1.00 0.00 O ATOM 507 CB LEU A 35 12.390 7.833 3.087 1.00 0.00 C ATOM 508 CG LEU A 35 12.794 6.919 1.929 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.893 7.710 0.635 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.112 6.223 2.235 1.00 0.00 C ATOM 0 H LEU A 35 10.825 6.473 4.422 1.00 0.00 H new ATOM 0 HA LEU A 35 10.785 9.129 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.947 8.766 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.702 7.363 4.020 1.00 0.00 H new ATOM 0 HG LEU A 35 12.024 6.157 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.181 7.043 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.927 8.161 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.642 8.494 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.384 5.577 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.892 6.970 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.005 5.623 3.139 1.00 0.00 H new ATOM 522 N LEU A 36 9.937 7.132 1.220 1.00 0.00 N ATOM 523 CA LEU A 36 9.343 7.098 -0.112 1.00 0.00 C ATOM 524 C LEU A 36 8.356 8.244 -0.297 1.00 0.00 C ATOM 525 O LEU A 36 8.209 8.782 -1.396 1.00 0.00 O ATOM 526 CB LEU A 36 8.639 5.759 -0.343 1.00 0.00 C ATOM 527 CG LEU A 36 8.633 5.245 -1.782 1.00 0.00 C ATOM 528 CD1 LEU A 36 10.038 4.858 -2.217 1.00 0.00 C ATOM 529 CD2 LEU A 36 7.686 4.062 -1.922 1.00 0.00 C ATOM 0 H LEU A 36 10.049 6.216 1.655 1.00 0.00 H new ATOM 0 HA LEU A 36 10.143 7.212 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.114 5.008 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.606 5.851 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 36 8.281 6.046 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.014 4.494 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.691 5.729 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.418 4.073 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.695 3.709 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.008 3.258 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.676 4.371 -1.653 1.00 0.00 H new ATOM 541 N LEU A 37 7.680 8.617 0.784 1.00 0.00 N ATOM 542 CA LEU A 37 6.706 9.702 0.742 1.00 0.00 C ATOM 543 C LEU A 37 7.368 11.013 0.330 1.00 0.00 C ATOM 544 O LEU A 37 7.037 11.587 -0.707 1.00 0.00 O ATOM 545 CB LEU A 37 6.035 9.865 2.107 1.00 0.00 C ATOM 546 CG LEU A 37 5.300 8.637 2.645 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.815 8.884 4.065 1.00 0.00 C ATOM 548 CD2 LEU A 37 4.135 8.271 1.737 1.00 0.00 C ATOM 0 H LEU A 37 7.789 8.184 1.701 1.00 0.00 H new ATOM 0 HA LEU A 37 5.950 9.449 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.796 10.154 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.325 10.690 2.044 1.00 0.00 H new ATOM 0 HG LEU A 37 5.997 7.799 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.294 7.999 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.668 9.095 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.134 9.735 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.624 7.395 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.437 9.106 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.509 8.049 0.737 1.00 0.00 H new ATOM 560 N GLU A 38 8.308 11.478 1.147 1.00 0.00 N ATOM 561 CA GLU A 38 9.018 12.720 0.865 1.00 0.00 C ATOM 562 C GLU A 38 9.585 12.713 -0.552 1.00 0.00 C ATOM 563 O GLU A 38 9.751 13.764 -1.171 1.00 0.00 O ATOM 564 CB GLU A 38 10.146 12.930 1.877 1.00 0.00 C ATOM 565 CG GLU A 38 11.328 11.997 1.671 1.00 0.00 C ATOM 566 CD GLU A 38 12.634 12.594 2.160 1.00 0.00 C ATOM 567 OE1 GLU A 38 12.943 13.741 1.776 1.00 0.00 O ATOM 568 OE2 GLU A 38 13.347 11.914 2.928 1.00 0.00 O ATOM 0 H GLU A 38 8.595 11.014 2.009 1.00 0.00 H new ATOM 0 HA GLU A 38 8.307 13.542 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.492 13.962 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.752 12.787 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.142 11.060 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.417 11.757 0.611 1.00 0.00 H new ATOM 575 N ARG A 39 9.881 11.520 -1.058 1.00 0.00 N ATOM 576 CA ARG A 39 10.431 11.376 -2.401 1.00 0.00 C ATOM 577 C ARG A 39 9.351 11.586 -3.457 1.00 0.00 C ATOM 578 O ARG A 39 9.545 12.329 -4.420 1.00 0.00 O ATOM 579 CB ARG A 39 11.062 9.992 -2.571 1.00 0.00 C ATOM 580 CG ARG A 39 12.494 9.911 -2.069 1.00 0.00 C ATOM 581 CD ARG A 39 13.477 10.448 -3.098 1.00 0.00 C ATOM 582 NE ARG A 39 14.770 10.771 -2.503 1.00 0.00 N ATOM 583 CZ ARG A 39 15.902 10.836 -3.197 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.899 10.602 -4.501 1.00 0.00 N ATOM 585 NH2 ARG A 39 17.040 11.137 -2.583 1.00 0.00 N ATOM 0 H ARG A 39 9.749 10.640 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 39 11.199 12.138 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.457 9.258 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.040 9.719 -3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.589 10.478 -1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.740 8.875 -1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.616 9.709 -3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.061 11.340 -3.566 1.00 0.00 H new ATOM 0 HE ARG A 39 14.807 10.957 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.026 10.371 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.769 10.653 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.045 11.318 -1.579 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.909 11.187 -3.115 1.00 0.00 H new ATOM 599 N TYR A 40 8.212 10.928 -3.270 1.00 0.00 N ATOM 600 CA TYR A 40 7.101 11.041 -4.208 1.00 0.00 C ATOM 601 C TYR A 40 5.805 11.386 -3.479 1.00 0.00 C ATOM 602 O TYR A 40 4.947 10.535 -3.250 1.00 0.00 O ATOM 603 CB TYR A 40 6.929 9.735 -4.987 1.00 0.00 C ATOM 604 CG TYR A 40 8.232 9.147 -5.477 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.093 8.491 -4.605 1.00 0.00 C ATOM 606 CD2 TYR A 40 8.604 9.247 -6.812 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.285 7.952 -5.049 1.00 0.00 C ATOM 608 CE2 TYR A 40 9.794 8.711 -7.265 1.00 0.00 C ATOM 609 CZ TYR A 40 10.631 8.064 -6.379 1.00 0.00 C ATOM 610 OH TYR A 40 11.817 7.529 -6.826 1.00 0.00 O ATOM 0 H TYR A 40 8.034 10.311 -2.478 1.00 0.00 H new ATOM 0 HA TYR A 40 7.329 11.846 -4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.427 9.006 -4.351 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.277 9.915 -5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.826 8.401 -3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.951 9.753 -7.508 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.942 7.446 -4.358 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.068 8.798 -8.306 1.00 0.00 H new ATOM 0 HH TYR A 40 11.908 7.694 -7.788 1.00 0.00 H new ATOM 620 N PRO A 41 5.661 12.667 -3.107 1.00 0.00 N ATOM 621 CA PRO A 41 4.474 13.155 -2.400 1.00 0.00 C ATOM 622 C PRO A 41 3.235 13.172 -3.289 1.00 0.00 C ATOM 623 O PRO A 41 2.176 12.681 -2.902 1.00 0.00 O ATOM 624 CB PRO A 41 4.862 14.581 -1.999 1.00 0.00 C ATOM 625 CG PRO A 41 5.892 14.988 -2.995 1.00 0.00 C ATOM 626 CD PRO A 41 6.645 13.736 -3.348 1.00 0.00 C ATOM 0 HA PRO A 41 4.211 12.516 -1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.000 15.248 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.258 14.613 -0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.428 15.427 -3.879 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.561 15.741 -2.579 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.980 13.747 -4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.533 13.612 -2.728 1.00 0.00 H new ATOM 634 N GLU A 42 3.377 13.739 -4.483 1.00 0.00 N ATOM 635 CA GLU A 42 2.268 13.818 -5.426 1.00 0.00 C ATOM 636 C GLU A 42 1.555 12.474 -5.544 1.00 0.00 C ATOM 637 O GLU A 42 0.337 12.389 -5.385 1.00 0.00 O ATOM 638 CB GLU A 42 2.770 14.264 -6.802 1.00 0.00 C ATOM 639 CG GLU A 42 3.449 15.623 -6.792 1.00 0.00 C ATOM 640 CD GLU A 42 4.265 15.877 -8.044 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.420 15.404 -8.105 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.750 16.548 -8.962 1.00 0.00 O ATOM 0 H GLU A 42 4.248 14.150 -4.820 1.00 0.00 H new ATOM 0 HA GLU A 42 1.558 14.554 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.470 13.520 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.929 14.293 -7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.693 16.402 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.098 15.694 -5.919 1.00 0.00 H new ATOM 649 N CYS A 43 2.324 11.427 -5.823 1.00 0.00 N ATOM 650 CA CYS A 43 1.767 10.085 -5.963 1.00 0.00 C ATOM 651 C CYS A 43 0.701 9.826 -4.903 1.00 0.00 C ATOM 652 O CYS A 43 -0.300 9.159 -5.164 1.00 0.00 O ATOM 653 CB CYS A 43 2.875 9.037 -5.855 1.00 0.00 C ATOM 654 SG CYS A 43 2.560 7.531 -6.804 1.00 0.00 S ATOM 0 H CYS A 43 3.334 11.481 -5.957 1.00 0.00 H new ATOM 0 HA CYS A 43 1.302 10.012 -6.946 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.812 9.478 -6.194 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.009 8.772 -4.806 1.00 0.00 H new ATOM 0 HG CYS A 43 3.340 6.581 -6.382 1.00 0.00 H new ATOM 660 N GLY A 44 0.923 10.358 -3.705 1.00 0.00 N ATOM 661 CA GLY A 44 -0.027 10.172 -2.623 1.00 0.00 C ATOM 662 C GLY A 44 0.648 9.815 -1.314 1.00 0.00 C ATOM 663 O GLY A 44 1.821 9.444 -1.294 1.00 0.00 O ATOM 0 H GLY A 44 1.743 10.914 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.607 11.086 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.730 9.384 -2.892 1.00 0.00 H new ATOM 667 N ASN A 45 -0.094 9.928 -0.217 1.00 0.00 N ATOM 668 CA ASN A 45 0.442 9.617 1.104 1.00 0.00 C ATOM 669 C ASN A 45 -0.186 8.340 1.657 1.00 0.00 C ATOM 670 O ASN A 45 -0.120 8.074 2.859 1.00 0.00 O ATOM 671 CB ASN A 45 0.193 10.780 2.066 1.00 0.00 C ATOM 672 CG ASN A 45 -1.281 11.102 2.214 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.031 10.181 2.810 1.00 0.00 O flip ATOM 674 ND2 ASN A 45 -1.741 12.165 1.798 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.068 10.232 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 45 1.516 9.461 1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.608 10.535 3.043 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.721 11.664 1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.128 12.844 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.735 12.367 1.905 1.00 0.00 H new ATOM 681 N LEU A 46 -0.793 7.555 0.774 1.00 0.00 N ATOM 682 CA LEU A 46 -1.432 6.306 1.174 1.00 0.00 C ATOM 683 C LEU A 46 -0.764 5.112 0.499 1.00 0.00 C ATOM 684 O LEU A 46 -1.235 4.623 -0.529 1.00 0.00 O ATOM 685 CB LEU A 46 -2.920 6.337 0.825 1.00 0.00 C ATOM 686 CG LEU A 46 -3.677 5.019 0.993 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.894 4.714 2.467 1.00 0.00 C ATOM 688 CD2 LEU A 46 -5.007 5.070 0.256 1.00 0.00 C ATOM 0 H LEU A 46 -0.856 7.761 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.321 6.199 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.403 7.092 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.023 6.663 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.076 4.219 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.434 3.773 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.929 4.634 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.474 5.516 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.532 4.124 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.615 5.881 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.828 5.242 -0.805 1.00 0.00 H new ATOM 700 N LEU A 47 0.334 4.647 1.085 1.00 0.00 N ATOM 701 CA LEU A 47 1.066 3.507 0.542 1.00 0.00 C ATOM 702 C LEU A 47 0.989 2.310 1.485 1.00 0.00 C ATOM 703 O LEU A 47 0.953 2.471 2.706 1.00 0.00 O ATOM 704 CB LEU A 47 2.528 3.886 0.297 1.00 0.00 C ATOM 705 CG LEU A 47 3.479 3.690 1.478 1.00 0.00 C ATOM 706 CD1 LEU A 47 4.092 2.299 1.446 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.566 4.755 1.470 1.00 0.00 C ATOM 0 H LEU A 47 0.737 5.041 1.935 1.00 0.00 H new ATOM 0 HA LEU A 47 0.605 3.228 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.899 3.299 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.566 4.933 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 47 2.907 3.790 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.766 2.179 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.301 1.551 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.650 2.168 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.234 4.600 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.135 4.687 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.109 5.742 1.544 1.00 0.00 H new ATOM 719 N LEU A 48 0.968 1.113 0.912 1.00 0.00 N ATOM 720 CA LEU A 48 0.898 -0.111 1.701 1.00 0.00 C ATOM 721 C LEU A 48 2.225 -0.862 1.659 1.00 0.00 C ATOM 722 O LEU A 48 2.632 -1.366 0.612 1.00 0.00 O ATOM 723 CB LEU A 48 -0.227 -1.012 1.185 1.00 0.00 C ATOM 724 CG LEU A 48 -1.647 -0.593 1.562 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.167 0.462 0.598 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.572 -1.801 1.582 1.00 0.00 C ATOM 0 H LEU A 48 0.998 0.963 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 48 0.689 0.164 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.159 -1.058 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.056 -2.022 1.558 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.623 -0.161 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.180 0.748 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.519 1.338 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.175 0.058 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.579 -1.484 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.590 -2.262 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.211 -2.524 2.313 1.00 0.00 H new ATOM 738 N ARG A 49 2.895 -0.936 2.805 1.00 0.00 N ATOM 739 CA ARG A 49 4.175 -1.625 2.899 1.00 0.00 C ATOM 740 C ARG A 49 4.027 -2.943 3.655 1.00 0.00 C ATOM 741 O ARG A 49 3.299 -3.044 4.641 1.00 0.00 O ATOM 742 CB ARG A 49 5.207 -0.737 3.598 1.00 0.00 C ATOM 743 CG ARG A 49 4.814 -0.343 5.012 1.00 0.00 C ATOM 744 CD ARG A 49 5.991 0.245 5.774 1.00 0.00 C ATOM 745 NE ARG A 49 5.789 0.192 7.220 1.00 0.00 N ATOM 746 CZ ARG A 49 6.059 -0.878 7.960 1.00 0.00 C ATOM 747 NH1 ARG A 49 6.540 -1.976 7.394 1.00 0.00 N ATOM 748 NH2 ARG A 49 5.849 -0.848 9.270 1.00 0.00 N ATOM 0 H ARG A 49 2.571 -0.527 3.681 1.00 0.00 H new ATOM 0 HA ARG A 49 4.518 -1.841 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.163 -1.260 3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.356 0.166 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.003 0.384 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.436 -1.217 5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.899 -0.299 5.515 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.141 1.280 5.467 1.00 0.00 H new ATOM 0 HE ARG A 49 5.421 1.021 7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.704 -2.001 6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.746 -2.796 7.965 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.481 -0.004 9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.056 -1.669 9.839 1.00 0.00 H new ATOM 762 N PRO A 50 4.737 -3.978 3.183 1.00 0.00 N ATOM 763 CA PRO A 50 4.702 -5.309 3.798 1.00 0.00 C ATOM 764 C PRO A 50 5.387 -5.335 5.160 1.00 0.00 C ATOM 765 O PRO A 50 6.543 -4.933 5.293 1.00 0.00 O ATOM 766 CB PRO A 50 5.465 -6.182 2.799 1.00 0.00 C ATOM 767 CG PRO A 50 6.369 -5.238 2.083 1.00 0.00 C ATOM 768 CD PRO A 50 5.628 -3.931 2.011 1.00 0.00 C ATOM 0 HA PRO A 50 3.682 -5.645 3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.031 -6.963 3.307 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.785 -6.680 2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.313 -5.123 2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.608 -5.607 1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.308 -3.081 2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.065 -3.839 1.082 1.00 0.00 H new ATOM 776 N SER A 51 4.667 -5.812 6.170 1.00 0.00 N ATOM 777 CA SER A 51 5.204 -5.886 7.524 1.00 0.00 C ATOM 778 C SER A 51 5.122 -7.312 8.062 1.00 0.00 C ATOM 779 O SER A 51 4.062 -7.938 8.035 1.00 0.00 O ATOM 780 CB SER A 51 4.446 -4.935 8.450 1.00 0.00 C ATOM 781 OG SER A 51 5.127 -4.771 9.682 1.00 0.00 O ATOM 0 H SER A 51 3.710 -6.153 6.077 1.00 0.00 H new ATOM 0 HA SER A 51 6.252 -5.588 7.490 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.329 -3.966 7.964 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.444 -5.323 8.634 1.00 0.00 H new ATOM 0 HG SER A 51 4.623 -4.157 10.255 1.00 0.00 H new ATOM 787 N GLY A 52 6.249 -7.819 8.552 1.00 0.00 N ATOM 788 CA GLY A 52 6.284 -9.167 9.091 1.00 0.00 C ATOM 789 C GLY A 52 6.464 -9.186 10.595 1.00 0.00 C ATOM 790 O GLY A 52 7.578 -9.350 11.092 1.00 0.00 O ATOM 0 H GLY A 52 7.138 -7.321 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.359 -9.682 8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.098 -9.721 8.624 1.00 0.00 H new ATOM 794 N ASP A 53 5.365 -9.013 11.323 1.00 0.00 N ATOM 795 CA ASP A 53 5.407 -9.011 12.781 1.00 0.00 C ATOM 796 C ASP A 53 4.441 -10.044 13.354 1.00 0.00 C ATOM 797 O ASP A 53 4.844 -10.946 14.087 1.00 0.00 O ATOM 798 CB ASP A 53 5.065 -7.621 13.319 1.00 0.00 C ATOM 799 CG ASP A 53 5.168 -7.544 14.829 1.00 0.00 C ATOM 800 OD1 ASP A 53 6.250 -7.858 15.368 1.00 0.00 O ATOM 801 OD2 ASP A 53 4.167 -7.168 15.474 1.00 0.00 O ATOM 0 H ASP A 53 4.435 -8.873 10.927 1.00 0.00 H new ATOM 0 HA ASP A 53 6.418 -9.274 13.092 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.737 -6.887 12.874 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.053 -7.355 13.013 1.00 0.00 H new ATOM 806 N GLY A 54 3.163 -9.904 13.014 1.00 0.00 N ATOM 807 CA GLY A 54 2.160 -10.831 13.505 1.00 0.00 C ATOM 808 C GLY A 54 2.049 -12.074 12.644 1.00 0.00 C ATOM 809 O GLY A 54 2.659 -13.100 12.942 1.00 0.00 O ATOM 0 H GLY A 54 2.805 -9.166 12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.407 -11.121 14.526 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.193 -10.330 13.541 1.00 0.00 H new ATOM 813 N ALA A 55 1.266 -11.982 11.573 1.00 0.00 N ATOM 814 CA ALA A 55 1.077 -13.108 10.667 1.00 0.00 C ATOM 815 C ALA A 55 1.554 -12.765 9.259 1.00 0.00 C ATOM 816 O ALA A 55 0.900 -13.102 8.272 1.00 0.00 O ATOM 817 CB ALA A 55 -0.385 -13.527 10.643 1.00 0.00 C ATOM 0 H ALA A 55 0.753 -11.140 11.312 1.00 0.00 H new ATOM 0 HA ALA A 55 1.676 -13.942 11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.511 -14.369 9.962 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.696 -13.821 11.645 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.997 -12.691 10.304 1.00 0.00 H new ATOM 823 N ASP A 56 2.697 -12.093 9.175 1.00 0.00 N ATOM 824 CA ASP A 56 3.262 -11.705 7.887 1.00 0.00 C ATOM 825 C ASP A 56 2.200 -11.063 6.999 1.00 0.00 C ATOM 826 O ASP A 56 2.132 -11.333 5.801 1.00 0.00 O ATOM 827 CB ASP A 56 3.866 -12.921 7.183 1.00 0.00 C ATOM 828 CG ASP A 56 4.968 -12.541 6.214 1.00 0.00 C ATOM 829 OD1 ASP A 56 4.988 -11.375 5.767 1.00 0.00 O ATOM 830 OD2 ASP A 56 5.810 -13.409 5.903 1.00 0.00 O ATOM 0 H ASP A 56 3.250 -11.806 9.982 1.00 0.00 H new ATOM 0 HA ASP A 56 4.049 -10.973 8.069 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.264 -13.609 7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.081 -13.453 6.645 1.00 0.00 H new ATOM 835 N GLY A 57 1.372 -10.211 7.596 1.00 0.00 N ATOM 836 CA GLY A 57 0.324 -9.545 6.845 1.00 0.00 C ATOM 837 C GLY A 57 0.822 -8.308 6.125 1.00 0.00 C ATOM 838 O GLY A 57 1.939 -8.290 5.608 1.00 0.00 O ATOM 0 H GLY A 57 1.408 -9.970 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.095 -10.240 6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.483 -9.267 7.523 1.00 0.00 H new ATOM 842 N VAL A 58 -0.007 -7.271 6.090 1.00 0.00 N ATOM 843 CA VAL A 58 0.356 -6.024 5.427 1.00 0.00 C ATOM 844 C VAL A 58 0.113 -4.826 6.338 1.00 0.00 C ATOM 845 O VAL A 58 -0.801 -4.836 7.163 1.00 0.00 O ATOM 846 CB VAL A 58 -0.437 -5.830 4.122 1.00 0.00 C ATOM 847 CG1 VAL A 58 -0.080 -4.503 3.471 1.00 0.00 C ATOM 848 CG2 VAL A 58 -0.183 -6.987 3.167 1.00 0.00 C ATOM 0 H VAL A 58 -0.935 -7.269 6.513 1.00 0.00 H new ATOM 0 HA VAL A 58 1.418 -6.089 5.192 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.500 -5.814 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.651 -4.384 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.318 -3.687 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.986 -4.485 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.752 -6.833 2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.880 -7.037 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.495 -7.920 3.635 1.00 0.00 H new ATOM 858 N SER A 59 0.938 -3.795 6.184 1.00 0.00 N ATOM 859 CA SER A 59 0.815 -2.590 6.996 1.00 0.00 C ATOM 860 C SER A 59 0.634 -1.358 6.116 1.00 0.00 C ATOM 861 O SER A 59 1.416 -1.117 5.196 1.00 0.00 O ATOM 862 CB SER A 59 2.049 -2.420 7.884 1.00 0.00 C ATOM 863 OG SER A 59 1.727 -1.731 9.080 1.00 0.00 O ATOM 0 H SER A 59 1.698 -3.770 5.505 1.00 0.00 H new ATOM 0 HA SER A 59 -0.067 -2.696 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.465 -3.398 8.125 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.819 -1.872 7.341 1.00 0.00 H new ATOM 0 HG SER A 59 0.769 -1.524 9.091 1.00 0.00 H new ATOM 869 N VAL A 60 -0.405 -0.580 6.403 1.00 0.00 N ATOM 870 CA VAL A 60 -0.690 0.629 5.639 1.00 0.00 C ATOM 871 C VAL A 60 -0.042 1.850 6.281 1.00 0.00 C ATOM 872 O VAL A 60 -0.233 2.117 7.468 1.00 0.00 O ATOM 873 CB VAL A 60 -2.206 0.871 5.516 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.482 2.142 4.727 1.00 0.00 C ATOM 875 CG2 VAL A 60 -2.885 -0.327 4.868 1.00 0.00 C ATOM 0 H VAL A 60 -1.064 -0.766 7.159 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.272 0.480 4.644 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.619 0.997 6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.558 2.296 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.029 2.992 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.057 2.049 3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.956 -0.139 4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.470 -0.486 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.716 -1.215 5.478 1.00 0.00 H new ATOM 885 N THR A 61 0.726 2.592 5.488 1.00 0.00 N ATOM 886 CA THR A 61 1.403 3.786 5.978 1.00 0.00 C ATOM 887 C THR A 61 0.749 5.051 5.436 1.00 0.00 C ATOM 888 O THR A 61 0.718 5.277 4.225 1.00 0.00 O ATOM 889 CB THR A 61 2.894 3.785 5.590 1.00 0.00 C ATOM 890 OG1 THR A 61 3.527 2.595 6.076 1.00 0.00 O ATOM 891 CG2 THR A 61 3.601 5.007 6.156 1.00 0.00 C ATOM 0 H THR A 61 0.894 2.386 4.503 1.00 0.00 H new ATOM 0 HA THR A 61 1.318 3.774 7.065 1.00 0.00 H new ATOM 0 HB THR A 61 2.963 3.815 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.474 2.602 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.652 4.985 5.869 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.137 5.911 5.762 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.521 5.002 7.243 1.00 0.00 H new ATOM 899 N THR A 62 0.226 5.876 6.338 1.00 0.00 N ATOM 900 CA THR A 62 -0.428 7.119 5.950 1.00 0.00 C ATOM 901 C THR A 62 0.197 8.314 6.660 1.00 0.00 C ATOM 902 O THR A 62 0.345 8.314 7.882 1.00 0.00 O ATOM 903 CB THR A 62 -1.936 7.081 6.263 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.140 6.891 7.668 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.622 5.964 5.489 1.00 0.00 C ATOM 0 H THR A 62 0.243 5.705 7.343 1.00 0.00 H new ATOM 0 HA THR A 62 -0.290 7.227 4.874 1.00 0.00 H new ATOM 0 HB THR A 62 -2.372 8.032 5.959 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.771 7.563 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.686 5.957 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.490 6.128 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.182 5.006 5.766 1.00 0.00 H new ATOM 913 N ARG A 63 0.562 9.331 5.886 1.00 0.00 N ATOM 914 CA ARG A 63 1.172 10.533 6.441 1.00 0.00 C ATOM 915 C ARG A 63 0.238 11.731 6.301 1.00 0.00 C ATOM 916 O ARG A 63 0.319 12.482 5.329 1.00 0.00 O ATOM 917 CB ARG A 63 2.502 10.825 5.743 1.00 0.00 C ATOM 918 CG ARG A 63 3.276 11.976 6.363 1.00 0.00 C ATOM 919 CD ARG A 63 4.195 12.641 5.350 1.00 0.00 C ATOM 920 NE ARG A 63 3.446 13.334 4.304 1.00 0.00 N ATOM 921 CZ ARG A 63 3.929 14.361 3.614 1.00 0.00 C ATOM 922 NH1 ARG A 63 5.151 14.812 3.857 1.00 0.00 N ATOM 923 NH2 ARG A 63 3.186 14.940 2.679 1.00 0.00 N ATOM 0 H ARG A 63 0.446 9.346 4.873 1.00 0.00 H new ATOM 0 HA ARG A 63 1.356 10.360 7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.120 9.928 5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.310 11.051 4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.578 12.713 6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.865 11.609 7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.845 13.351 5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.840 11.888 4.896 1.00 0.00 H new ATOM 0 HE ARG A 63 2.502 13.012 4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.724 14.370 4.576 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.519 15.601 3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.244 14.596 2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.557 15.729 2.149 1.00 0.00 H new ATOM 937 N GLN A 64 -0.647 11.902 7.277 1.00 0.00 N ATOM 938 CA GLN A 64 -1.597 13.009 7.261 1.00 0.00 C ATOM 939 C GLN A 64 -1.051 14.206 8.031 1.00 0.00 C ATOM 940 O GLN A 64 0.004 14.124 8.660 1.00 0.00 O ATOM 941 CB GLN A 64 -2.934 12.569 7.860 1.00 0.00 C ATOM 942 CG GLN A 64 -3.668 11.538 7.018 1.00 0.00 C ATOM 943 CD GLN A 64 -5.122 11.383 7.422 1.00 0.00 C ATOM 944 OE1 GLN A 64 -5.480 10.457 8.150 1.00 0.00 O ATOM 945 NE2 GLN A 64 -5.967 12.290 6.950 1.00 0.00 N ATOM 0 H GLN A 64 -0.727 11.289 8.088 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.752 13.307 6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.759 12.157 8.854 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.572 13.444 7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.615 11.827 5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.165 10.575 7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.626 13.041 6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.958 12.237 7.188 1.00 0.00 H new ATOM 954 N MET A 65 -1.775 15.319 7.977 1.00 0.00 N ATOM 955 CA MET A 65 -1.363 16.534 8.670 1.00 0.00 C ATOM 956 C MET A 65 -2.318 16.858 9.815 1.00 0.00 C ATOM 957 O MET A 65 -3.529 16.961 9.616 1.00 0.00 O ATOM 958 CB MET A 65 -1.303 17.710 7.693 1.00 0.00 C ATOM 959 CG MET A 65 -0.914 19.025 8.347 1.00 0.00 C ATOM 960 SD MET A 65 -0.302 20.236 7.160 1.00 0.00 S ATOM 961 CE MET A 65 1.199 20.779 7.973 1.00 0.00 C ATOM 0 H MET A 65 -2.650 15.405 7.460 1.00 0.00 H new ATOM 0 HA MET A 65 -0.369 16.365 9.085 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.586 17.480 6.904 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.276 17.825 7.216 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.778 19.437 8.868 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.147 18.840 9.099 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.462 21.777 7.622 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.041 20.803 9.051 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.009 20.088 7.741 1.00 0.00 H new ATOM 971 N HIS A 66 -1.766 17.015 11.013 1.00 0.00 N ATOM 972 CA HIS A 66 -2.570 17.327 12.190 1.00 0.00 C ATOM 973 C HIS A 66 -1.806 18.243 13.143 1.00 0.00 C ATOM 974 O HIS A 66 -0.681 17.943 13.538 1.00 0.00 O ATOM 975 CB HIS A 66 -2.973 16.043 12.914 1.00 0.00 C ATOM 976 CG HIS A 66 -3.618 16.282 14.244 1.00 0.00 C ATOM 977 ND1 HIS A 66 -3.087 16.651 15.432 1.00 0.00 N flip ATOM 978 CD2 HIS A 66 -4.974 16.143 14.459 1.00 0.00 C flip ATOM 979 CE1 HIS A 66 -4.120 16.729 16.334 1.00 0.00 C flip ATOM 980 NE2 HIS A 66 -5.247 16.417 15.722 1.00 0.00 N flip ATOM 0 H HIS A 66 -0.766 16.932 11.195 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.469 17.845 11.857 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.660 15.480 12.282 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.088 15.422 13.055 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.699 15.855 13.712 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.025 17.001 17.375 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.172 16.392 16.151 1.00 0.00 H new ATOM 989 N ASN A 67 -2.426 19.362 13.505 1.00 0.00 N ATOM 990 CA ASN A 67 -1.805 20.322 14.409 1.00 0.00 C ATOM 991 C ASN A 67 -0.659 21.057 13.719 1.00 0.00 C ATOM 992 O ASN A 67 0.361 21.358 14.337 1.00 0.00 O ATOM 993 CB ASN A 67 -1.288 19.613 15.663 1.00 0.00 C ATOM 994 CG ASN A 67 -1.056 20.571 16.816 1.00 0.00 C ATOM 995 OD1 ASN A 67 -1.749 20.340 17.924 1.00 0.00 O flip ATOM 996 ND2 ASN A 67 -0.264 21.506 16.709 1.00 0.00 N flip ATOM 0 H ASN A 67 -3.358 19.626 13.186 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.561 21.052 14.698 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.005 18.850 15.967 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.356 19.099 15.428 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.247 21.644 15.837 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.118 22.143 17.492 1.00 0.00 H new ATOM 1003 N GLY A 68 -0.837 21.343 12.433 1.00 0.00 N ATOM 1004 CA GLY A 68 0.190 22.040 11.680 1.00 0.00 C ATOM 1005 C GLY A 68 1.558 21.408 11.841 1.00 0.00 C ATOM 1006 O GLY A 68 2.570 22.107 11.909 1.00 0.00 O ATOM 0 H GLY A 68 -1.673 21.105 11.899 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.081 22.048 10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.233 23.079 12.006 1.00 0.00 H new ATOM 1010 N THR A 69 1.591 20.081 11.904 1.00 0.00 N ATOM 1011 CA THR A 69 2.845 19.355 12.062 1.00 0.00 C ATOM 1012 C THR A 69 2.851 18.081 11.224 1.00 0.00 C ATOM 1013 O THR A 69 1.805 17.622 10.764 1.00 0.00 O ATOM 1014 CB THR A 69 3.100 18.987 13.537 1.00 0.00 C ATOM 1015 OG1 THR A 69 4.433 18.487 13.693 1.00 0.00 O ATOM 1016 CG2 THR A 69 2.102 17.944 14.015 1.00 0.00 C ATOM 0 H THR A 69 0.764 19.487 11.848 1.00 0.00 H new ATOM 0 HA THR A 69 3.639 20.017 11.718 1.00 0.00 H new ATOM 0 HB THR A 69 2.977 19.887 14.140 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.588 18.257 14.633 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.302 17.700 15.058 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.090 18.339 13.922 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.197 17.044 13.408 1.00 0.00 H new ATOM 1024 N HIS A 70 4.037 17.511 11.031 1.00 0.00 N ATOM 1025 CA HIS A 70 4.179 16.289 10.249 1.00 0.00 C ATOM 1026 C HIS A 70 4.153 15.059 11.153 1.00 0.00 C ATOM 1027 O HIS A 70 4.921 14.965 12.111 1.00 0.00 O ATOM 1028 CB HIS A 70 5.481 16.318 9.447 1.00 0.00 C ATOM 1029 CG HIS A 70 6.710 16.378 10.302 1.00 0.00 C ATOM 1030 ND1 HIS A 70 7.155 17.537 10.901 1.00 0.00 N ATOM 1031 CD2 HIS A 70 7.587 15.411 10.659 1.00 0.00 C ATOM 1032 CE1 HIS A 70 8.254 17.282 11.587 1.00 0.00 C ATOM 1033 NE2 HIS A 70 8.537 15.998 11.457 1.00 0.00 N ATOM 0 H HIS A 70 4.913 17.876 11.406 1.00 0.00 H new ATOM 0 HA HIS A 70 3.337 16.230 9.559 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.530 15.430 8.817 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.469 17.181 8.781 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.547 14.371 10.370 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.824 18.000 12.157 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.332 15.520 11.881 1.00 0.00 H new ATOM 1042 N VAL A 71 3.264 14.121 10.843 1.00 0.00 N ATOM 1043 CA VAL A 71 3.138 12.899 11.627 1.00 0.00 C ATOM 1044 C VAL A 71 2.824 11.703 10.734 1.00 0.00 C ATOM 1045 O VAL A 71 2.036 11.808 9.794 1.00 0.00 O ATOM 1046 CB VAL A 71 2.039 13.029 12.697 1.00 0.00 C ATOM 1047 CG1 VAL A 71 0.672 13.164 12.045 1.00 0.00 C ATOM 1048 CG2 VAL A 71 2.073 11.837 13.643 1.00 0.00 C ATOM 0 H VAL A 71 2.620 14.184 10.054 1.00 0.00 H new ATOM 0 HA VAL A 71 4.097 12.739 12.120 1.00 0.00 H new ATOM 0 HB VAL A 71 2.228 13.931 13.279 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.092 13.255 12.817 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.656 14.052 11.413 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.470 12.282 11.437 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.290 11.945 14.393 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.910 10.919 13.078 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.044 11.792 14.136 1.00 0.00 H new ATOM 1058 N VAL A 72 3.445 10.566 11.035 1.00 0.00 N ATOM 1059 CA VAL A 72 3.230 9.350 10.261 1.00 0.00 C ATOM 1060 C VAL A 72 2.426 8.328 11.057 1.00 0.00 C ATOM 1061 O VAL A 72 2.881 7.831 12.087 1.00 0.00 O ATOM 1062 CB VAL A 72 4.566 8.715 9.831 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.320 7.443 9.036 1.00 0.00 C ATOM 1064 CG2 VAL A 72 5.391 9.707 9.025 1.00 0.00 C ATOM 0 H VAL A 72 4.101 10.463 11.809 1.00 0.00 H new ATOM 0 HA VAL A 72 2.669 9.635 9.371 1.00 0.00 H new ATOM 0 HB VAL A 72 5.129 8.452 10.726 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.275 7.008 8.741 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.771 6.730 9.651 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.737 7.678 8.145 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.332 9.242 8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.836 10.003 8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.597 10.588 9.633 1.00 0.00 H new ATOM 1074 N ARG A 73 1.229 8.017 10.571 1.00 0.00 N ATOM 1075 CA ARG A 73 0.361 7.053 11.237 1.00 0.00 C ATOM 1076 C ARG A 73 0.433 5.692 10.551 1.00 0.00 C ATOM 1077 O ARG A 73 0.487 5.606 9.324 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.083 7.556 11.245 1.00 0.00 C ATOM 1079 CG ARG A 73 -2.049 6.625 11.960 1.00 0.00 C ATOM 1080 CD ARG A 73 -1.828 6.642 13.464 1.00 0.00 C ATOM 1081 NE ARG A 73 -2.815 5.830 14.172 1.00 0.00 N ATOM 1082 CZ ARG A 73 -4.069 6.214 14.379 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -4.488 7.391 13.936 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -4.909 5.420 15.031 1.00 0.00 N ATOM 0 H ARG A 73 0.838 8.418 9.719 1.00 0.00 H new ATOM 0 HA ARG A 73 0.705 6.941 12.265 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.115 8.535 11.723 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.417 7.692 10.216 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.074 6.922 11.738 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.923 5.610 11.584 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.827 6.272 13.687 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.877 7.669 13.826 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.525 4.919 14.526 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.846 8.005 13.434 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.452 7.683 14.097 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.592 4.513 15.374 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.872 5.716 15.189 1.00 0.00 H new ATOM 1098 N HIS A 74 0.432 4.631 11.352 1.00 0.00 N ATOM 1099 CA HIS A 74 0.498 3.273 10.822 1.00 0.00 C ATOM 1100 C HIS A 74 -0.784 2.506 11.134 1.00 0.00 C ATOM 1101 O HIS A 74 -1.380 2.680 12.198 1.00 0.00 O ATOM 1102 CB HIS A 74 1.703 2.534 11.402 1.00 0.00 C ATOM 1103 CG HIS A 74 2.981 2.805 10.670 1.00 0.00 C ATOM 1104 ND1 HIS A 74 4.015 1.896 10.599 1.00 0.00 N ATOM 1105 CD2 HIS A 74 3.389 3.892 9.974 1.00 0.00 C ATOM 1106 CE1 HIS A 74 5.005 2.412 9.893 1.00 0.00 C ATOM 1107 NE2 HIS A 74 4.650 3.623 9.501 1.00 0.00 N ATOM 0 H HIS A 74 0.386 4.685 12.370 1.00 0.00 H new ATOM 0 HA HIS A 74 0.608 3.337 9.739 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.825 2.819 12.447 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.504 1.462 11.385 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.827 4.801 9.819 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.945 1.927 9.674 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.220 4.255 8.939 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.203 1.659 10.201 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.415 0.868 10.376 1.00 0.00 C ATOM 1118 C TYR A 75 -2.134 -0.615 10.158 1.00 0.00 C ATOM 1119 O TYR A 75 -1.402 -0.994 9.243 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.502 1.340 9.408 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.069 2.700 9.749 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -5.012 2.847 10.759 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -3.662 3.836 9.062 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -5.533 4.087 11.075 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -4.176 5.081 9.372 1.00 0.00 C ATOM 1126 CZ TYR A 75 -5.111 5.201 10.379 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.627 6.438 10.689 1.00 0.00 O ATOM 0 H TYR A 75 -0.721 1.502 9.316 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.764 1.007 11.399 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.090 1.370 8.399 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.311 0.610 9.400 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.343 1.977 11.306 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.931 3.745 8.272 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.266 4.184 11.862 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.847 5.955 8.829 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.224 7.116 10.107 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.722 -1.453 11.005 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.539 -2.896 10.907 1.00 0.00 C ATOM 1139 C LYS A 76 -3.823 -3.578 10.445 1.00 0.00 C ATOM 1140 O LYS A 76 -4.921 -3.056 10.642 1.00 0.00 O ATOM 1141 CB LYS A 76 -2.103 -3.469 12.257 1.00 0.00 C ATOM 1142 CG LYS A 76 -1.895 -4.973 12.242 1.00 0.00 C ATOM 1143 CD LYS A 76 -0.682 -5.361 11.412 1.00 0.00 C ATOM 1144 CE LYS A 76 0.612 -5.137 12.178 1.00 0.00 C ATOM 1145 NZ LYS A 76 0.794 -6.140 13.264 1.00 0.00 N ATOM 0 H LYS A 76 -3.330 -1.157 11.768 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.760 -3.088 10.169 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.176 -2.986 12.565 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.855 -3.222 13.007 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.769 -5.334 13.263 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.783 -5.460 11.839 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.758 -6.409 11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.667 -4.777 10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.455 -5.190 11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.612 -4.134 12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.780 -6.121 13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.160 -5.912 14.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.568 -7.088 12.902 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.678 -4.747 9.829 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.827 -5.501 9.341 1.00 0.00 C ATOM 1161 C VAL A 77 -4.728 -6.971 9.738 1.00 0.00 C ATOM 1162 O VAL A 77 -3.856 -7.697 9.261 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.954 -5.402 7.810 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -6.120 -6.243 7.315 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -5.112 -3.951 7.381 1.00 0.00 C ATOM 0 H VAL A 77 -2.777 -5.192 9.656 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.712 -5.062 9.801 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.040 -5.792 7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.194 -6.160 6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.959 -7.286 7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.044 -5.887 7.770 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.200 -3.900 6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.008 -3.532 7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.241 -3.380 7.701 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.628 -7.402 10.615 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.645 -8.785 11.076 1.00 0.00 C ATOM 1177 C LYS A 78 -6.124 -9.721 9.971 1.00 0.00 C ATOM 1178 O LYS A 78 -6.743 -9.285 9.000 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.548 -8.924 12.303 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.463 -10.285 12.971 1.00 0.00 C ATOM 1181 CD LYS A 78 -6.875 -10.217 14.433 1.00 0.00 C ATOM 1182 CE LYS A 78 -8.384 -10.307 14.591 1.00 0.00 C ATOM 1183 NZ LYS A 78 -8.833 -9.826 15.927 1.00 0.00 N ATOM 0 H LYS A 78 -6.355 -6.813 11.021 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.627 -9.063 11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.281 -8.155 13.029 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.580 -8.738 12.007 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.105 -10.991 12.444 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.444 -10.665 12.897 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.401 -11.030 14.984 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.517 -9.285 14.870 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.866 -9.717 13.812 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.703 -11.340 14.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.868 -9.904 15.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.393 -10.405 16.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.552 -8.832 16.051 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.835 -11.009 10.126 1.00 0.00 N ATOM 1198 CA ARG A 79 -6.235 -12.007 9.141 1.00 0.00 C ATOM 1199 C ARG A 79 -7.235 -12.991 9.740 1.00 0.00 C ATOM 1200 O ARG A 79 -6.897 -13.764 10.637 1.00 0.00 O ATOM 1201 CB ARG A 79 -5.011 -12.760 8.619 1.00 0.00 C ATOM 1202 CG ARG A 79 -5.334 -13.760 7.520 1.00 0.00 C ATOM 1203 CD ARG A 79 -5.352 -13.096 6.152 1.00 0.00 C ATOM 1204 NE ARG A 79 -5.618 -14.055 5.083 1.00 0.00 N ATOM 1205 CZ ARG A 79 -4.712 -14.910 4.620 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -3.488 -14.925 5.130 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -5.029 -15.752 3.645 1.00 0.00 N ATOM 0 H ARG A 79 -5.325 -11.386 10.925 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.714 -11.489 8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.286 -12.040 8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.537 -13.285 9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.595 -14.562 7.527 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.303 -14.218 7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.113 -12.316 6.137 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.393 -12.609 5.972 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.550 -14.069 4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.240 -14.279 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.795 -15.582 4.773 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.969 -15.744 3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.332 -16.408 3.291 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.466 -12.956 9.239 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.514 -13.845 9.726 1.00 0.00 C ATOM 1223 C GLU A 80 -10.274 -14.479 8.565 1.00 0.00 C ATOM 1224 O GLU A 80 -11.348 -14.015 8.186 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.484 -13.080 10.629 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.335 -13.978 11.509 1.00 0.00 C ATOM 1227 CD GLU A 80 -10.675 -14.287 12.839 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -9.435 -14.433 12.865 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -11.398 -14.384 13.852 1.00 0.00 O ATOM 0 H GLU A 80 -8.762 -12.322 8.497 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.041 -14.639 10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.916 -12.398 11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.139 -12.468 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.297 -13.498 11.688 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.537 -14.911 10.982 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.707 -15.543 8.004 1.00 0.00 N ATOM 1237 CA GLY A 81 -10.343 -16.222 6.891 1.00 0.00 C ATOM 1238 C GLY A 81 -9.936 -15.646 5.549 1.00 0.00 C ATOM 1239 O GLY A 81 -8.916 -14.967 5.425 1.00 0.00 O ATOM 0 H GLY A 81 -8.818 -15.946 8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.086 -17.281 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.426 -16.154 6.999 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.744 -15.916 4.514 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.482 -15.430 3.156 1.00 0.00 C ATOM 1245 C PRO A 82 -10.671 -13.922 3.035 1.00 0.00 C ATOM 1246 O PRO A 82 -10.543 -13.355 1.949 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.520 -16.169 2.308 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.628 -16.484 3.254 1.00 0.00 C ATOM 1249 CD PRO A 82 -11.977 -16.719 4.589 1.00 0.00 C ATOM 0 HA PRO A 82 -9.452 -15.613 2.849 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.869 -15.550 1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.102 -17.076 1.872 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.342 -15.662 3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.181 -17.365 2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.617 -16.397 5.410 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.760 -17.775 4.750 1.00 0.00 H new ATOM 1257 N LYS A 83 -10.975 -13.276 4.155 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.179 -11.832 4.175 1.00 0.00 C ATOM 1259 C LYS A 83 -10.208 -11.159 5.139 1.00 0.00 C ATOM 1260 O LYS A 83 -9.625 -11.812 6.006 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.620 -11.506 4.574 1.00 0.00 C ATOM 1262 CG LYS A 83 -13.064 -12.185 5.859 1.00 0.00 C ATOM 1263 CD LYS A 83 -12.680 -11.370 7.082 1.00 0.00 C ATOM 1264 CE LYS A 83 -13.435 -11.831 8.320 1.00 0.00 C ATOM 1265 NZ LYS A 83 -14.873 -11.445 8.268 1.00 0.00 N ATOM 0 H LYS A 83 -11.086 -13.730 5.062 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.991 -11.449 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.721 -10.427 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.288 -11.804 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.144 -12.329 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.612 -13.175 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.607 -11.456 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.889 -10.316 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.353 -12.914 8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.975 -11.398 9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.052 -10.679 8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.110 -11.119 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.462 -12.267 8.510 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.040 -9.851 4.984 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.139 -9.088 5.841 1.00 0.00 C ATOM 1281 C TYR A 84 -9.901 -8.022 6.621 1.00 0.00 C ATOM 1282 O TYR A 84 -10.561 -7.163 6.039 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.038 -8.434 5.005 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.512 -9.320 3.897 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -7.164 -10.642 4.144 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.362 -8.834 2.605 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -6.683 -11.454 3.136 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.883 -9.639 1.589 1.00 0.00 C ATOM 1289 CZ TYR A 84 -6.545 -10.949 1.860 1.00 0.00 C ATOM 1290 OH TYR A 84 -6.066 -11.754 0.852 1.00 0.00 O ATOM 0 H TYR A 84 -10.516 -9.296 4.273 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.685 -9.778 6.552 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.423 -7.512 4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.212 -8.157 5.660 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.272 -11.042 5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.624 -7.809 2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.416 -12.479 3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.774 -9.245 0.589 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.031 -11.245 0.015 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.803 -8.086 7.946 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.481 -7.125 8.809 1.00 0.00 C ATOM 1302 C VAL A 85 -9.508 -6.075 9.334 1.00 0.00 C ATOM 1303 O VAL A 85 -8.367 -6.388 9.677 1.00 0.00 O ATOM 1304 CB VAL A 85 -11.158 -7.824 10.003 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -12.329 -8.672 9.532 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -10.150 -8.670 10.766 1.00 0.00 C ATOM 0 H VAL A 85 -9.261 -8.792 8.444 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.244 -6.637 8.202 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.543 -7.060 10.678 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.795 -9.158 10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.061 -8.037 9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.972 -9.430 8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.645 -9.157 11.606 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.734 -9.428 10.102 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.347 -8.033 11.137 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.966 -4.830 9.392 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.136 -3.733 9.876 1.00 0.00 C ATOM 1318 C ILE A 86 -9.124 -3.684 11.401 1.00 0.00 C ATOM 1319 O ILE A 86 -10.101 -4.055 12.051 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.624 -2.376 9.335 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.780 -2.436 7.815 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.657 -1.270 9.730 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.563 -1.275 7.241 1.00 0.00 C ATOM 0 H ILE A 86 -10.907 -4.555 9.110 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.125 -3.918 9.512 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.597 -2.155 9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.791 -2.458 7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.277 -3.368 7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.015 -0.317 9.340 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.590 -1.216 10.817 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.671 -1.483 9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.634 -1.384 6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.565 -1.264 7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.055 -0.340 7.479 1.00 0.00 H new ATOM 1335 N ASP A 87 -8.013 -3.223 11.963 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.873 -3.123 13.412 1.00 0.00 C ATOM 1337 C ASP A 87 -8.410 -1.789 13.917 1.00 0.00 C ATOM 1338 O ASP A 87 -7.718 -1.056 14.624 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.407 -3.283 13.816 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.976 -4.735 13.870 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -6.185 -5.379 14.920 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.430 -5.230 12.861 1.00 0.00 O ATOM 0 H ASP A 87 -7.196 -2.912 11.438 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.456 -3.925 13.866 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.777 -2.746 13.107 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.250 -2.824 14.792 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.651 -1.478 13.551 1.00 0.00 N ATOM 1348 CA VAL A 88 -10.281 -0.231 13.968 1.00 0.00 C ATOM 1349 C VAL A 88 -11.469 -0.497 14.886 1.00 0.00 C ATOM 1350 O VAL A 88 -11.809 -1.648 15.159 1.00 0.00 O ATOM 1351 CB VAL A 88 -10.759 0.589 12.755 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -9.574 1.215 12.034 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -11.569 -0.282 11.808 1.00 0.00 C ATOM 0 H VAL A 88 -10.239 -2.073 12.967 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.526 0.340 14.509 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.403 1.392 13.113 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.931 1.791 11.180 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.039 1.874 12.718 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.903 0.429 11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.898 0.314 10.957 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.951 -1.108 11.455 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.439 -0.678 12.332 1.00 0.00 H new ATOM 1363 N GLU A 89 -12.095 0.575 15.360 1.00 0.00 N ATOM 1364 CA GLU A 89 -13.245 0.457 16.249 1.00 0.00 C ATOM 1365 C GLU A 89 -14.086 -0.765 15.890 1.00 0.00 C ATOM 1366 O GLU A 89 -14.435 -1.566 16.758 1.00 0.00 O ATOM 1367 CB GLU A 89 -14.105 1.720 16.177 1.00 0.00 C ATOM 1368 CG GLU A 89 -13.370 2.982 16.599 1.00 0.00 C ATOM 1369 CD GLU A 89 -14.303 4.157 16.812 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -14.599 4.867 15.827 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -14.738 4.369 17.964 1.00 0.00 O ATOM 0 H GLU A 89 -11.826 1.535 15.144 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.874 0.336 17.267 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.468 1.845 15.157 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.981 1.590 16.813 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.821 2.787 17.520 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.634 3.241 15.838 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.407 -0.899 14.608 1.00 0.00 N ATOM 1379 CA GLN A 90 -15.209 -2.022 14.135 1.00 0.00 C ATOM 1380 C GLN A 90 -14.459 -2.815 13.070 1.00 0.00 C ATOM 1381 O GLN A 90 -13.837 -2.255 12.167 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.542 -1.523 13.574 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.404 -0.807 14.600 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.486 0.043 13.961 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -18.592 0.114 12.736 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -19.293 0.694 14.790 1.00 0.00 N ATOM 0 H GLN A 90 -14.125 -0.245 13.878 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.404 -2.680 14.982 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.346 -0.847 12.741 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -17.098 -2.370 13.173 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -17.866 -1.543 15.258 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.771 -0.175 15.223 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -19.168 0.605 15.798 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -20.038 1.283 14.419 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.518 -4.151 13.176 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.850 -5.050 12.230 1.00 0.00 C ATOM 1397 C PRO A 91 -14.505 -5.033 10.853 1.00 0.00 C ATOM 1398 O PRO A 91 -15.422 -5.807 10.581 1.00 0.00 O ATOM 1399 CB PRO A 91 -14.007 -6.427 12.879 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.221 -6.308 13.734 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.240 -4.887 14.227 1.00 0.00 C ATOM 0 HA PRO A 91 -12.814 -4.761 12.055 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.127 -7.207 12.127 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.130 -6.688 13.471 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.123 -6.536 13.166 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.183 -7.010 14.567 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.258 -4.518 14.349 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.748 -4.791 15.195 1.00 0.00 H new ATOM 1409 N PHE A 92 -14.028 -4.144 9.987 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.567 -4.026 8.638 1.00 0.00 C ATOM 1411 C PHE A 92 -14.090 -5.178 7.758 1.00 0.00 C ATOM 1412 O PHE A 92 -12.929 -5.225 7.353 1.00 0.00 O ATOM 1413 CB PHE A 92 -14.153 -2.690 8.016 1.00 0.00 C ATOM 1414 CG PHE A 92 -14.284 -2.660 6.519 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.529 -2.552 5.922 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -13.162 -2.738 5.711 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.653 -2.523 4.546 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -13.280 -2.710 4.335 1.00 0.00 C ATOM 1419 CZ PHE A 92 -14.527 -2.603 3.751 1.00 0.00 C ATOM 0 H PHE A 92 -13.269 -3.495 10.196 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.654 -4.068 8.703 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.764 -1.895 8.442 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.119 -2.477 8.287 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -16.413 -2.490 6.539 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.184 -2.822 6.162 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.630 -2.438 4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.397 -2.772 3.716 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.621 -2.582 2.675 1.00 0.00 H new ATOM 1429 N SER A 93 -14.996 -6.107 7.468 1.00 0.00 N ATOM 1430 CA SER A 93 -14.668 -7.262 6.640 1.00 0.00 C ATOM 1431 C SER A 93 -14.673 -6.889 5.161 1.00 0.00 C ATOM 1432 O SER A 93 -15.557 -6.170 4.694 1.00 0.00 O ATOM 1433 CB SER A 93 -15.662 -8.396 6.896 1.00 0.00 C ATOM 1434 OG SER A 93 -16.976 -8.017 6.521 1.00 0.00 O ATOM 0 H SER A 93 -15.962 -6.082 7.794 1.00 0.00 H new ATOM 0 HA SER A 93 -13.666 -7.599 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.361 -9.281 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.646 -8.667 7.952 1.00 0.00 H new ATOM 0 HG SER A 93 -17.592 -8.759 6.693 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.680 -7.384 4.431 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.567 -7.102 3.004 1.00 0.00 C ATOM 1442 C CYS A 94 -13.329 -8.385 2.213 1.00 0.00 C ATOM 1443 O CYS A 94 -13.183 -9.464 2.789 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.430 -6.112 2.746 1.00 0.00 C ATOM 1445 SG CYS A 94 -10.796 -6.725 3.220 1.00 0.00 S ATOM 0 H CYS A 94 -12.942 -7.982 4.803 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.506 -6.660 2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.417 -5.858 1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.633 -5.191 3.292 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.867 -7.293 4.387 1.00 0.00 H new ATOM 1451 N THR A 95 -13.294 -8.262 0.890 1.00 0.00 N ATOM 1452 CA THR A 95 -13.077 -9.411 0.021 1.00 0.00 C ATOM 1453 C THR A 95 -11.611 -9.529 -0.379 1.00 0.00 C ATOM 1454 O THR A 95 -11.030 -10.614 -0.338 1.00 0.00 O ATOM 1455 CB THR A 95 -13.939 -9.323 -1.252 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.718 -10.475 -2.074 1.00 0.00 O ATOM 1457 CG2 THR A 95 -13.616 -8.062 -2.039 1.00 0.00 C ATOM 0 H THR A 95 -13.413 -7.377 0.397 1.00 0.00 H new ATOM 0 HA THR A 95 -13.368 -10.295 0.588 1.00 0.00 H new ATOM 0 HB THR A 95 -14.986 -9.286 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.271 -10.412 -2.881 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.237 -8.022 -2.934 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.814 -7.186 -1.421 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.565 -8.072 -2.328 1.00 0.00 H new ATOM 1465 N SER A 96 -11.016 -8.405 -0.767 1.00 0.00 N ATOM 1466 CA SER A 96 -9.616 -8.383 -1.177 1.00 0.00 C ATOM 1467 C SER A 96 -8.921 -7.123 -0.669 1.00 0.00 C ATOM 1468 O SER A 96 -9.572 -6.178 -0.222 1.00 0.00 O ATOM 1469 CB SER A 96 -9.509 -8.459 -2.701 1.00 0.00 C ATOM 1470 OG SER A 96 -9.641 -9.794 -3.156 1.00 0.00 O ATOM 0 H SER A 96 -11.481 -7.498 -0.806 1.00 0.00 H new ATOM 0 HA SER A 96 -9.121 -9.251 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.282 -7.839 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.549 -8.056 -3.022 1.00 0.00 H new ATOM 0 HG SER A 96 -10.065 -10.337 -2.459 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.594 -7.117 -0.742 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.808 -5.975 -0.290 1.00 0.00 C ATOM 1478 C LEU A 97 -7.376 -4.671 -0.843 1.00 0.00 C ATOM 1479 O LEU A 97 -7.636 -3.730 -0.093 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.349 -6.133 -0.721 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.469 -6.988 0.192 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.128 -7.267 -0.470 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.270 -6.303 1.535 1.00 0.00 C ATOM 0 H LEU A 97 -7.040 -7.891 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.857 -5.939 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.331 -6.567 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.904 -5.141 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.972 -7.940 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.515 -7.876 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.289 -7.800 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.619 -6.325 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.641 -6.926 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.788 -5.337 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.237 -6.154 2.015 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.566 -4.625 -2.156 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.106 -3.438 -2.809 1.00 0.00 C ATOM 1497 C ASP A 98 -9.203 -2.803 -1.961 1.00 0.00 C ATOM 1498 O ASP A 98 -9.099 -1.644 -1.560 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.655 -3.796 -4.191 1.00 0.00 C ATOM 1500 CG ASP A 98 -7.557 -3.991 -5.218 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -7.036 -5.121 -5.321 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -7.219 -3.014 -5.919 1.00 0.00 O ATOM 0 H ASP A 98 -7.354 -5.396 -2.790 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.297 -2.716 -2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.247 -4.709 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.327 -3.006 -4.527 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.255 -3.569 -1.691 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.371 -3.082 -0.890 1.00 0.00 C ATOM 1509 C ALA A 99 -10.877 -2.257 0.294 1.00 0.00 C ATOM 1510 O ALA A 99 -11.308 -1.122 0.496 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.222 -4.246 -0.407 1.00 0.00 C ATOM 0 H ALA A 99 -10.358 -4.530 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.984 -2.436 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.052 -3.867 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.612 -4.792 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.613 -4.914 0.202 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.971 -2.837 1.076 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.419 -2.155 2.240 1.00 0.00 C ATOM 1519 C VAL A 100 -9.034 -0.718 1.904 1.00 0.00 C ATOM 1520 O VAL A 100 -9.388 0.215 2.626 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.182 -2.891 2.786 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.585 -2.133 3.963 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.542 -4.314 3.188 1.00 0.00 C ATOM 0 H VAL A 100 -9.604 -3.777 0.924 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.197 -2.151 3.003 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.433 -2.939 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.712 -2.669 4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.288 -1.135 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.327 -2.052 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.655 -4.819 3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.309 -4.290 3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.919 -4.853 2.319 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.307 -0.546 0.806 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.875 0.777 0.373 1.00 0.00 C ATOM 1535 C VAL A 101 -9.065 1.714 0.201 1.00 0.00 C ATOM 1536 O VAL A 101 -9.048 2.849 0.675 1.00 0.00 O ATOM 1537 CB VAL A 101 -7.095 0.707 -0.954 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.704 2.102 -1.417 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.868 -0.178 -0.804 1.00 0.00 C ATOM 0 H VAL A 101 -8.004 -1.308 0.199 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.219 1.166 1.151 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.741 0.266 -1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.154 2.033 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.602 2.701 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.075 2.573 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.329 -0.216 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.217 0.231 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.178 -1.184 -0.522 1.00 0.00 H new ATOM 1549 N ASN A 102 -10.099 1.231 -0.481 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.299 2.026 -0.716 1.00 0.00 C ATOM 1551 C ASN A 102 -11.954 2.424 0.603 1.00 0.00 C ATOM 1552 O ASN A 102 -12.350 3.574 0.789 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.292 1.245 -1.577 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.780 1.013 -2.986 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -11.779 1.922 -3.816 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.338 -0.208 -3.261 1.00 0.00 N ATOM 0 H ASN A 102 -10.130 0.293 -0.880 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.007 2.934 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.499 0.284 -1.106 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.236 1.788 -1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.979 -0.423 -4.191 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.357 -0.931 -2.542 1.00 0.00 H new ATOM 1563 N TYR A 103 -12.066 1.464 1.515 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.676 1.712 2.816 1.00 0.00 C ATOM 1565 C TYR A 103 -12.070 2.949 3.474 1.00 0.00 C ATOM 1566 O TYR A 103 -12.789 3.841 3.924 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.496 0.497 3.727 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.705 0.803 5.193 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -11.653 1.237 5.990 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -13.955 0.660 5.781 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -11.839 1.517 7.329 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -14.152 0.939 7.120 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.090 1.367 7.890 1.00 0.00 C ATOM 1574 OH TYR A 103 -13.280 1.647 9.223 1.00 0.00 O ATOM 0 H TYR A 103 -11.742 0.507 1.377 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.741 1.888 2.662 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.196 -0.281 3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.493 0.095 3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.672 1.357 5.554 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.788 0.325 5.181 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.009 1.852 7.934 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.131 0.823 7.561 1.00 0.00 H new ATOM 0 HH TYR A 103 -14.218 1.491 9.460 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.743 2.994 3.523 1.00 0.00 N ATOM 1585 CA PHE A 104 -10.039 4.121 4.125 1.00 0.00 C ATOM 1586 C PHE A 104 -10.379 5.422 3.405 1.00 0.00 C ATOM 1587 O PHE A 104 -10.816 6.392 4.025 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.528 3.884 4.088 1.00 0.00 C ATOM 1589 CG PHE A 104 -8.036 2.978 5.180 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -8.055 3.392 6.503 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.554 1.713 4.885 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.604 2.560 7.511 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -7.101 0.878 5.888 1.00 0.00 C ATOM 1594 CZ PHE A 104 -7.125 1.302 7.203 1.00 0.00 C ATOM 0 H PHE A 104 -10.134 2.264 3.154 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.361 4.206 5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.259 3.455 3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.016 4.843 4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.426 4.376 6.749 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.532 1.376 3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.626 2.894 8.538 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.728 -0.106 5.644 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.770 0.651 7.988 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.174 5.436 2.092 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.458 6.618 1.287 1.00 0.00 C ATOM 1606 C VAL A 105 -11.798 7.235 1.671 1.00 0.00 C ATOM 1607 O VAL A 105 -11.873 8.414 2.018 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.473 6.282 -0.217 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -10.891 7.497 -1.031 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.109 5.775 -0.662 1.00 0.00 C ATOM 0 H VAL A 105 -9.812 4.642 1.563 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.661 7.335 1.484 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.203 5.491 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.896 7.241 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.890 7.811 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.187 8.311 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.137 5.542 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.358 6.543 -0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.854 4.876 -0.101 1.00 0.00 H new ATOM 1620 N SER A 106 -12.855 6.431 1.607 1.00 0.00 N ATOM 1621 CA SER A 106 -14.194 6.899 1.945 1.00 0.00 C ATOM 1622 C SER A 106 -14.286 7.253 3.426 1.00 0.00 C ATOM 1623 O SER A 106 -14.834 8.293 3.794 1.00 0.00 O ATOM 1624 CB SER A 106 -15.233 5.832 1.598 1.00 0.00 C ATOM 1625 OG SER A 106 -16.539 6.260 1.944 1.00 0.00 O ATOM 0 H SER A 106 -12.810 5.452 1.324 1.00 0.00 H new ATOM 0 HA SER A 106 -14.398 7.796 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.190 5.611 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.999 4.907 2.125 1.00 0.00 H new ATOM 0 HG SER A 106 -17.185 5.561 1.711 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.750 6.380 4.272 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.772 6.599 5.714 1.00 0.00 C ATOM 1633 C HIS A 107 -13.468 8.057 6.047 1.00 0.00 C ATOM 1634 O HIS A 107 -14.290 8.753 6.643 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.760 5.685 6.405 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.985 5.549 7.880 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -13.928 4.701 8.423 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -12.382 6.157 8.928 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -13.896 4.796 9.740 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -12.966 5.672 10.072 1.00 0.00 N ATOM 0 H HIS A 107 -13.295 5.514 3.984 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.772 6.362 6.077 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.803 4.697 5.947 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.756 6.073 6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -11.589 6.888 8.874 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -14.524 4.250 10.428 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.721 5.944 11.024 1.00 0.00 H new ATOM 1649 N THR A 108 -12.281 8.513 5.657 1.00 0.00 N ATOM 1650 CA THR A 108 -11.868 9.886 5.916 1.00 0.00 C ATOM 1651 C THR A 108 -12.716 10.874 5.122 1.00 0.00 C ATOM 1652 O THR A 108 -13.034 10.638 3.956 1.00 0.00 O ATOM 1653 CB THR A 108 -10.384 10.102 5.564 1.00 0.00 C ATOM 1654 OG1 THR A 108 -10.120 9.625 4.241 1.00 0.00 O ATOM 1655 CG2 THR A 108 -9.483 9.386 6.558 1.00 0.00 C ATOM 0 H THR A 108 -11.589 7.951 5.161 1.00 0.00 H new ATOM 0 HA THR A 108 -12.010 10.063 6.982 1.00 0.00 H new ATOM 0 HB THR A 108 -10.173 11.170 5.612 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.061 10.385 3.625 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.440 9.553 6.289 1.00 0.00 H new ATOM 0 HG22 THR A 108 -9.666 9.774 7.560 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.696 8.317 6.538 1.00 0.00 H new ATOM 1663 N LYS A 109 -13.080 11.981 5.760 1.00 0.00 N ATOM 1664 CA LYS A 109 -13.889 13.007 5.114 1.00 0.00 C ATOM 1665 C LYS A 109 -13.250 13.460 3.805 1.00 0.00 C ATOM 1666 O LYS A 109 -13.941 13.704 2.816 1.00 0.00 O ATOM 1667 CB LYS A 109 -14.072 14.205 6.047 1.00 0.00 C ATOM 1668 CG LYS A 109 -12.799 15.006 6.264 1.00 0.00 C ATOM 1669 CD LYS A 109 -12.660 16.121 5.240 1.00 0.00 C ATOM 1670 CE LYS A 109 -13.548 17.307 5.583 1.00 0.00 C ATOM 1671 NZ LYS A 109 -14.897 17.187 4.967 1.00 0.00 N ATOM 0 H LYS A 109 -12.827 12.191 6.726 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.865 12.577 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.839 14.861 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.438 13.852 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.802 15.431 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.936 14.343 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.620 16.445 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.921 15.743 4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.649 17.384 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.073 18.227 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.175 18.102 4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.874 16.466 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.587 16.909 5.694 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.926 13.569 3.806 1.00 0.00 N ATOM 1686 CA LYS A 110 -11.192 13.990 2.618 1.00 0.00 C ATOM 1687 C LYS A 110 -10.665 12.784 1.848 1.00 0.00 C ATOM 1688 O LYS A 110 -9.991 11.922 2.411 1.00 0.00 O ATOM 1689 CB LYS A 110 -10.029 14.906 3.010 1.00 0.00 C ATOM 1690 CG LYS A 110 -9.505 15.749 1.861 1.00 0.00 C ATOM 1691 CD LYS A 110 -10.430 16.916 1.558 1.00 0.00 C ATOM 1692 CE LYS A 110 -10.289 18.021 2.593 1.00 0.00 C ATOM 1693 NZ LYS A 110 -11.511 18.870 2.668 1.00 0.00 N ATOM 0 H LYS A 110 -11.339 13.372 4.616 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.878 14.539 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -10.352 15.565 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.215 14.297 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.512 16.125 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.398 15.128 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.205 17.312 0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -11.462 16.567 1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -10.092 17.580 3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.429 18.643 2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.375 19.611 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.685 19.311 1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -12.327 18.281 2.930 1.00 0.00 H new ATOM 1707 N ALA A 111 -10.976 12.731 0.557 1.00 0.00 N ATOM 1708 CA ALA A 111 -10.531 11.631 -0.291 1.00 0.00 C ATOM 1709 C ALA A 111 -9.009 11.543 -0.323 1.00 0.00 C ATOM 1710 O ALA A 111 -8.339 12.394 -0.910 1.00 0.00 O ATOM 1711 CB ALA A 111 -11.081 11.795 -1.700 1.00 0.00 C ATOM 0 H ALA A 111 -11.534 13.436 0.075 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.914 10.702 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.741 10.967 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.170 11.800 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.726 12.735 -2.122 1.00 0.00 H new ATOM 1717 N LEU A 112 -8.468 10.511 0.314 1.00 0.00 N ATOM 1718 CA LEU A 112 -7.024 10.312 0.360 1.00 0.00 C ATOM 1719 C LEU A 112 -6.488 9.885 -1.004 1.00 0.00 C ATOM 1720 O LEU A 112 -7.244 9.431 -1.863 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.666 9.261 1.412 1.00 0.00 C ATOM 1722 CG LEU A 112 -6.687 9.733 2.866 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -6.650 8.545 3.815 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -5.520 10.672 3.139 1.00 0.00 C ATOM 0 H LEU A 112 -9.008 9.799 0.806 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.561 11.261 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.359 8.425 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.670 8.878 1.190 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.615 10.279 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.666 8.901 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.518 7.910 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.740 7.971 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.551 10.998 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.582 10.151 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.591 11.540 2.484 1.00 0.00 H new ATOM 1736 N VAL A 113 -5.181 10.031 -1.193 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.545 9.656 -2.450 1.00 0.00 C ATOM 1738 C VAL A 113 -3.649 8.435 -2.271 1.00 0.00 C ATOM 1739 O VAL A 113 -2.724 8.426 -1.460 1.00 0.00 O ATOM 1740 CB VAL A 113 -3.705 10.815 -3.020 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -3.063 10.411 -4.338 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -4.563 12.059 -3.195 1.00 0.00 C ATOM 0 H VAL A 113 -4.542 10.406 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.345 9.416 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.910 11.047 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.474 11.242 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.414 9.550 -4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.840 10.151 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.953 12.868 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.381 11.843 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.970 12.359 -2.229 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.930 7.378 -3.049 1.00 0.00 N ATOM 1753 CA PRO A 114 -3.160 6.132 -2.995 1.00 0.00 C ATOM 1754 C PRO A 114 -1.752 6.294 -3.556 1.00 0.00 C ATOM 1755 O PRO A 114 -1.523 7.095 -4.463 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.977 5.174 -3.868 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.723 6.059 -4.805 1.00 0.00 C ATOM 1758 CD PRO A 114 -5.017 7.319 -4.039 1.00 0.00 C ATOM 0 HA PRO A 114 -3.018 5.784 -1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.331 4.481 -4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.657 4.572 -3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -4.131 6.273 -5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.644 5.583 -5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.016 8.194 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.995 7.279 -3.560 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.811 5.530 -3.012 1.00 0.00 N ATOM 1767 CA PHE A 115 0.576 5.590 -3.458 1.00 0.00 C ATOM 1768 C PHE A 115 0.928 4.370 -4.305 1.00 0.00 C ATOM 1769 O PHE A 115 0.935 3.241 -3.814 1.00 0.00 O ATOM 1770 CB PHE A 115 1.517 5.679 -2.256 1.00 0.00 C ATOM 1771 CG PHE A 115 2.964 5.817 -2.636 1.00 0.00 C ATOM 1772 CD1 PHE A 115 3.623 4.789 -3.292 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.664 6.974 -2.337 1.00 0.00 C ATOM 1774 CE1 PHE A 115 4.954 4.913 -3.642 1.00 0.00 C ATOM 1775 CE2 PHE A 115 4.996 7.104 -2.685 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.641 6.072 -3.339 1.00 0.00 C ATOM 0 H PHE A 115 -0.984 4.862 -2.261 1.00 0.00 H new ATOM 0 HA PHE A 115 0.696 6.483 -4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.228 6.531 -1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.394 4.787 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.090 3.881 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.164 7.784 -1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.456 4.104 -4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.531 8.011 -2.446 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.681 6.172 -3.613 1.00 0.00 H new ATOM 1786 N LEU A 116 1.220 4.607 -5.580 1.00 0.00 N ATOM 1787 CA LEU A 116 1.573 3.529 -6.497 1.00 0.00 C ATOM 1788 C LEU A 116 3.011 3.676 -6.982 1.00 0.00 C ATOM 1789 O LEU A 116 3.543 4.785 -7.054 1.00 0.00 O ATOM 1790 CB LEU A 116 0.618 3.516 -7.692 1.00 0.00 C ATOM 1791 CG LEU A 116 1.076 2.709 -8.907 1.00 0.00 C ATOM 1792 CD1 LEU A 116 1.303 1.255 -8.528 1.00 0.00 C ATOM 1793 CD2 LEU A 116 0.056 2.815 -10.032 1.00 0.00 C ATOM 0 H LEU A 116 1.219 5.536 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 116 1.485 2.585 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.342 3.122 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.448 4.545 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 116 2.021 3.123 -9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.628 0.697 -9.406 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.070 1.196 -7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.374 0.828 -8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.398 2.235 -10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.904 2.427 -9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.058 3.859 -10.323 1.00 0.00 H new ATOM 1805 N LEU A 117 3.635 2.552 -7.315 1.00 0.00 N ATOM 1806 CA LEU A 117 5.013 2.555 -7.796 1.00 0.00 C ATOM 1807 C LEU A 117 5.261 1.383 -8.741 1.00 0.00 C ATOM 1808 O LEU A 117 5.179 0.222 -8.341 1.00 0.00 O ATOM 1809 CB LEU A 117 5.985 2.490 -6.618 1.00 0.00 C ATOM 1810 CG LEU A 117 7.312 3.229 -6.800 1.00 0.00 C ATOM 1811 CD1 LEU A 117 8.029 2.736 -8.048 1.00 0.00 C ATOM 1812 CD2 LEU A 117 7.079 4.731 -6.874 1.00 0.00 C ATOM 0 H LEU A 117 3.209 1.627 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 117 5.179 3.482 -8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.485 2.894 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.201 1.442 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 117 7.944 3.022 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.971 3.272 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.228 1.668 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.402 2.914 -8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.033 5.241 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.429 4.957 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.607 5.072 -5.952 1.00 0.00 H new ATOM 1824 N ASP A 118 5.569 1.697 -9.994 1.00 0.00 N ATOM 1825 CA ASP A 118 5.835 0.671 -10.996 1.00 0.00 C ATOM 1826 C ASP A 118 7.188 0.011 -10.753 1.00 0.00 C ATOM 1827 O ASP A 118 8.236 0.629 -10.952 1.00 0.00 O ATOM 1828 CB ASP A 118 5.793 1.276 -12.401 1.00 0.00 C ATOM 1829 CG ASP A 118 6.366 2.679 -12.444 1.00 0.00 C ATOM 1830 OD1 ASP A 118 7.437 2.901 -11.841 1.00 0.00 O ATOM 1831 OD2 ASP A 118 5.744 3.553 -13.083 1.00 0.00 O ATOM 0 H ASP A 118 5.641 2.654 -10.341 1.00 0.00 H new ATOM 0 HA ASP A 118 5.060 -0.091 -10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.351 0.637 -13.085 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.762 1.297 -12.754 1.00 0.00 H new TER 1836 ASP A 118