USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1003 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 49 HIS : no HD1:sc= -6.84! C(o=-6.8!,f=-4.9!) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -122:sc= -0.011 (180deg=-0.0927) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.29) USER MOD Single : A 12 GLN : amide:sc= -0.775 K(o=-0.77,f=-4.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.653 K(o=-0.65,f=-3.6) USER MOD Single : A 16 ASN : amide:sc= -0.0482 X(o=-0.048,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -4:sc= 0.688 USER MOD Single : A 45 GLN : amide:sc= -2.07! C(o=-2.1!,f=-3.4!) USER MOD Single : A 46 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.74) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0666 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.511 K(o=-0.51,f=-6.5!) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.48 USER MOD Single : A 75 THR OG1 : rot 131:sc= -0.156 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -140:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.019) USER MOD Single : A 91 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.7) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -60:sc= -0.116 USER MOD Single : A 98 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.559) USER MOD Single : A 99 ASN : amide:sc=-0.00607 X(o=-0.0061,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 17:sc= 0.87 USER MOD Single : A 104 THR OG1 : rot 98:sc= 1.12 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.2!) USER MOD Single : A 114 THR OG1 : rot -87:sc= -1.77! USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.382) USER MOD Single : A 126 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N SER A 6 -12.119 -7.424 -5.308 1.00 0.00 N ATOM 68 CA SER A 6 -12.026 -5.977 -5.401 1.00 0.00 C ATOM 69 C SER A 6 -12.992 -5.326 -4.409 1.00 0.00 C ATOM 70 O SER A 6 -14.193 -5.249 -4.665 1.00 0.00 O ATOM 71 CB SER A 6 -12.323 -5.497 -6.823 1.00 0.00 C ATOM 72 OG SER A 6 -12.669 -4.115 -6.858 1.00 0.00 O ATOM 0 HA SER A 6 -11.006 -5.683 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.450 -5.668 -7.453 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.139 -6.086 -7.242 1.00 0.00 H new ATOM 0 HG SER A 6 -12.850 -3.846 -7.783 1.00 0.00 H new ATOM 78 N GLY A 7 -12.432 -4.873 -3.297 1.00 0.00 N ATOM 79 CA GLY A 7 -13.228 -4.232 -2.264 1.00 0.00 C ATOM 80 C GLY A 7 -12.586 -2.918 -1.814 1.00 0.00 C ATOM 81 O GLY A 7 -11.372 -2.751 -1.913 1.00 0.00 O ATOM 0 H GLY A 7 -11.436 -4.937 -3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.233 -4.040 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.330 -4.902 -1.410 1.00 0.00 H new ATOM 85 N LYS A 8 -13.430 -2.020 -1.329 1.00 0.00 N ATOM 86 CA LYS A 8 -12.960 -0.726 -0.863 1.00 0.00 C ATOM 87 C LYS A 8 -12.907 -0.728 0.666 1.00 0.00 C ATOM 88 O LYS A 8 -13.833 -1.205 1.322 1.00 0.00 O ATOM 89 CB LYS A 8 -13.817 0.398 -1.448 1.00 0.00 C ATOM 90 CG LYS A 8 -13.127 1.755 -1.288 1.00 0.00 C ATOM 91 CD LYS A 8 -13.997 2.719 -0.478 1.00 0.00 C ATOM 92 CE LYS A 8 -13.558 2.754 0.987 1.00 0.00 C ATOM 93 NZ LYS A 8 -13.815 4.089 1.573 1.00 0.00 N ATOM 0 H LYS A 8 -14.437 -2.162 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.946 -0.539 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.005 0.204 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.786 0.418 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.166 1.622 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.922 2.181 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.932 3.720 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.041 2.413 -0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.095 1.993 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.497 2.516 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.924 4.488 1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.208 4.718 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.494 4.000 2.356 1.00 0.00 H new ATOM 106 N TYR A 9 -11.816 -0.189 1.189 1.00 0.00 N ATOM 107 CA TYR A 9 -11.631 -0.123 2.629 1.00 0.00 C ATOM 108 C TYR A 9 -11.051 1.230 3.045 1.00 0.00 C ATOM 109 O TYR A 9 -10.239 1.810 2.325 1.00 0.00 O ATOM 110 CB TYR A 9 -10.627 -1.223 2.977 1.00 0.00 C ATOM 111 CG TYR A 9 -11.058 -2.623 2.533 1.00 0.00 C ATOM 112 CD1 TYR A 9 -11.856 -3.392 3.356 1.00 0.00 C ATOM 113 CD2 TYR A 9 -10.651 -3.115 1.309 1.00 0.00 C ATOM 114 CE1 TYR A 9 -12.263 -4.708 2.938 1.00 0.00 C ATOM 115 CE2 TYR A 9 -11.058 -4.433 0.892 1.00 0.00 C ATOM 116 CZ TYR A 9 -11.843 -5.164 1.727 1.00 0.00 C ATOM 117 OH TYR A 9 -12.227 -6.407 1.333 1.00 0.00 O ATOM 0 H TYR A 9 -11.051 0.206 0.642 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.583 -0.249 3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.669 -0.985 2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.468 -1.228 4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.175 -3.006 4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.028 -2.513 0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -12.888 -5.320 3.572 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.746 -4.831 -0.062 1.00 0.00 H new ATOM 0 HH TYR A 9 -11.854 -6.599 0.447 1.00 0.00 H new ATOM 127 N GLN A 10 -11.490 1.695 4.206 1.00 0.00 N ATOM 128 CA GLN A 10 -11.025 2.969 4.727 1.00 0.00 C ATOM 129 C GLN A 10 -10.172 2.751 5.978 1.00 0.00 C ATOM 130 O GLN A 10 -10.584 2.047 6.899 1.00 0.00 O ATOM 131 CB GLN A 10 -12.200 3.904 5.019 1.00 0.00 C ATOM 132 CG GLN A 10 -11.890 5.332 4.566 1.00 0.00 C ATOM 133 CD GLN A 10 -13.160 6.184 4.531 1.00 0.00 C ATOM 134 OE1 GLN A 10 -14.020 6.100 5.392 1.00 0.00 O ATOM 135 NE2 GLN A 10 -13.231 7.007 3.487 1.00 0.00 N ATOM 0 H GLN A 10 -12.163 1.212 4.801 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.405 3.446 3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.093 3.542 4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.418 3.897 6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.164 5.783 5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.434 5.312 3.576 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.476 7.028 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.041 7.617 3.372 1.00 0.00 H new ATOM 144 N LEU A 11 -9.000 3.368 5.972 1.00 0.00 N ATOM 145 CA LEU A 11 -8.086 3.251 7.096 1.00 0.00 C ATOM 146 C LEU A 11 -8.800 3.688 8.376 1.00 0.00 C ATOM 147 O LEU A 11 -9.679 4.547 8.339 1.00 0.00 O ATOM 148 CB LEU A 11 -6.794 4.023 6.819 1.00 0.00 C ATOM 149 CG LEU A 11 -6.830 5.522 7.122 1.00 0.00 C ATOM 150 CD1 LEU A 11 -6.820 5.777 8.631 1.00 0.00 C ATOM 151 CD2 LEU A 11 -5.692 6.254 6.410 1.00 0.00 C ATOM 0 H LEU A 11 -8.662 3.951 5.206 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.786 2.212 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.993 3.573 7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.533 3.891 5.769 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.765 5.926 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.846 6.850 8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.693 5.308 9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.914 5.355 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.742 7.318 6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.735 5.853 6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.787 6.114 5.333 1.00 0.00 H new ATOM 163 N GLN A 12 -8.397 3.074 9.479 1.00 0.00 N ATOM 164 CA GLN A 12 -8.988 3.388 10.769 1.00 0.00 C ATOM 165 C GLN A 12 -7.937 3.278 11.875 1.00 0.00 C ATOM 166 O GLN A 12 -7.661 4.254 12.573 1.00 0.00 O ATOM 167 CB GLN A 12 -10.185 2.480 11.059 1.00 0.00 C ATOM 168 CG GLN A 12 -11.420 2.937 10.280 1.00 0.00 C ATOM 169 CD GLN A 12 -12.066 4.156 10.941 1.00 0.00 C ATOM 170 OE1 GLN A 12 -11.443 5.184 11.153 1.00 0.00 O ATOM 171 NE2 GLN A 12 -13.348 3.987 11.255 1.00 0.00 N ATOM 0 H GLN A 12 -7.668 2.361 9.506 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.351 4.415 10.740 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.940 1.452 10.790 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.401 2.487 12.127 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.138 3.181 9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.142 2.123 10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.811 3.101 11.050 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.868 4.743 11.700 1.00 0.00 H new ATOM 180 N SER A 13 -7.378 2.084 12.000 1.00 0.00 N ATOM 181 CA SER A 13 -6.363 1.835 13.010 1.00 0.00 C ATOM 182 C SER A 13 -4.969 2.000 12.403 1.00 0.00 C ATOM 183 O SER A 13 -4.652 1.380 11.389 1.00 0.00 O ATOM 184 CB SER A 13 -6.517 0.437 13.612 1.00 0.00 C ATOM 185 OG SER A 13 -7.594 0.372 14.542 1.00 0.00 O ATOM 0 H SER A 13 -7.608 1.278 11.419 1.00 0.00 H new ATOM 0 HA SER A 13 -6.492 2.563 13.811 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.684 -0.285 12.813 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.590 0.153 14.110 1.00 0.00 H new ATOM 0 HG SER A 13 -7.660 -0.537 14.903 1.00 0.00 H new ATOM 191 N GLN A 14 -4.173 2.840 13.048 1.00 0.00 N ATOM 192 CA GLN A 14 -2.819 3.095 12.583 1.00 0.00 C ATOM 193 C GLN A 14 -1.869 3.244 13.773 1.00 0.00 C ATOM 194 O GLN A 14 -2.278 3.684 14.848 1.00 0.00 O ATOM 195 CB GLN A 14 -2.773 4.333 11.686 1.00 0.00 C ATOM 196 CG GLN A 14 -3.145 5.594 12.469 1.00 0.00 C ATOM 197 CD GLN A 14 -4.569 6.046 12.137 1.00 0.00 C ATOM 198 OE1 GLN A 14 -5.438 5.254 11.809 1.00 0.00 O ATOM 199 NE2 GLN A 14 -4.759 7.357 12.238 1.00 0.00 N ATOM 0 H GLN A 14 -4.439 3.353 13.889 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.493 2.243 11.987 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.774 4.444 11.265 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.459 4.205 10.849 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.061 5.400 13.538 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.442 6.393 12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.988 7.964 12.518 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.675 7.757 12.036 1.00 0.00 H new ATOM 208 N GLU A 15 -0.619 2.870 13.542 1.00 0.00 N ATOM 209 CA GLU A 15 0.392 2.957 14.581 1.00 0.00 C ATOM 210 C GLU A 15 1.610 3.730 14.074 1.00 0.00 C ATOM 211 O GLU A 15 2.279 3.296 13.136 1.00 0.00 O ATOM 212 CB GLU A 15 0.793 1.564 15.074 1.00 0.00 C ATOM 213 CG GLU A 15 -0.213 1.035 16.099 1.00 0.00 C ATOM 214 CD GLU A 15 0.217 1.395 17.524 1.00 0.00 C ATOM 215 OE1 GLU A 15 1.416 1.362 17.836 1.00 0.00 O ATOM 216 OE2 GLU A 15 -0.747 1.719 18.317 1.00 0.00 O ATOM 0 H GLU A 15 -0.284 2.506 12.650 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.031 3.499 15.427 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.852 0.878 14.229 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.786 1.604 15.521 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.199 1.453 15.896 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.300 -0.047 16.004 1.00 0.00 H new ATOM 224 N ASN A 16 1.861 4.862 14.714 1.00 0.00 N ATOM 225 CA ASN A 16 2.988 5.701 14.339 1.00 0.00 C ATOM 226 C ASN A 16 3.030 5.838 12.816 1.00 0.00 C ATOM 227 O ASN A 16 3.955 5.345 12.170 1.00 0.00 O ATOM 228 CB ASN A 16 4.310 5.082 14.795 1.00 0.00 C ATOM 229 CG ASN A 16 4.319 4.860 16.309 1.00 0.00 C ATOM 230 OD1 ASN A 16 4.757 5.696 17.083 1.00 0.00 O ATOM 231 ND2 ASN A 16 3.812 3.690 16.688 1.00 0.00 N ATOM 0 H ASN A 16 1.304 5.219 15.490 1.00 0.00 H new ATOM 0 HA ASN A 16 2.861 6.672 14.817 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.466 4.132 14.284 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.137 5.735 14.515 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.773 3.448 17.678 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.462 3.035 15.989 1.00 0.00 H new ATOM 238 N PHE A 17 2.019 6.509 12.285 1.00 0.00 N ATOM 239 CA PHE A 17 1.930 6.717 10.850 1.00 0.00 C ATOM 240 C PHE A 17 2.877 7.830 10.397 1.00 0.00 C ATOM 241 O PHE A 17 3.480 7.741 9.330 1.00 0.00 O ATOM 242 CB PHE A 17 0.489 7.135 10.548 1.00 0.00 C ATOM 243 CG PHE A 17 0.121 8.524 11.075 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.387 9.628 10.326 1.00 0.00 C ATOM 245 CD2 PHE A 17 -0.472 8.654 12.291 1.00 0.00 C ATOM 246 CE1 PHE A 17 0.045 10.916 10.814 1.00 0.00 C ATOM 247 CE2 PHE A 17 -0.814 9.942 12.780 1.00 0.00 C ATOM 248 CZ PHE A 17 -0.548 11.047 12.031 1.00 0.00 C ATOM 0 H PHE A 17 1.254 6.916 12.823 1.00 0.00 H new ATOM 0 HA PHE A 17 2.208 5.804 10.324 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.334 7.114 9.469 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.190 6.401 10.982 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.858 9.524 9.360 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.683 7.777 12.885 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.256 11.792 10.219 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.285 10.045 13.746 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.808 12.027 12.403 1.00 0.00 H new ATOM 258 N GLU A 18 2.978 8.854 11.232 1.00 0.00 N ATOM 259 CA GLU A 18 3.841 9.983 10.932 1.00 0.00 C ATOM 260 C GLU A 18 5.310 9.557 10.987 1.00 0.00 C ATOM 261 O GLU A 18 6.169 10.195 10.378 1.00 0.00 O ATOM 262 CB GLU A 18 3.572 11.148 11.886 1.00 0.00 C ATOM 263 CG GLU A 18 4.238 10.912 13.242 1.00 0.00 C ATOM 264 CD GLU A 18 3.403 11.511 14.376 1.00 0.00 C ATOM 265 OE1 GLU A 18 3.738 12.588 14.889 1.00 0.00 O ATOM 266 OE2 GLU A 18 2.370 10.817 14.717 1.00 0.00 O ATOM 0 H GLU A 18 2.476 8.925 12.117 1.00 0.00 H new ATOM 0 HA GLU A 18 3.620 10.326 9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.946 12.074 11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.497 11.271 12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.367 9.842 13.406 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.233 11.357 13.245 1.00 0.00 H new ATOM 274 N ALA A 19 5.554 8.483 11.722 1.00 0.00 N ATOM 275 CA ALA A 19 6.904 7.964 11.865 1.00 0.00 C ATOM 276 C ALA A 19 7.510 7.744 10.477 1.00 0.00 C ATOM 277 O ALA A 19 8.689 8.024 10.259 1.00 0.00 O ATOM 278 CB ALA A 19 6.874 6.681 12.697 1.00 0.00 C ATOM 0 H ALA A 19 4.840 7.957 12.225 1.00 0.00 H new ATOM 0 HA ALA A 19 7.536 8.679 12.392 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.887 6.293 12.804 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.462 6.896 13.683 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.251 5.938 12.198 1.00 0.00 H new ATOM 284 N PHE A 20 6.678 7.245 9.576 1.00 0.00 N ATOM 285 CA PHE A 20 7.118 6.984 8.215 1.00 0.00 C ATOM 286 C PHE A 20 7.488 8.285 7.499 1.00 0.00 C ATOM 287 O PHE A 20 8.397 8.305 6.670 1.00 0.00 O ATOM 288 CB PHE A 20 5.944 6.330 7.483 1.00 0.00 C ATOM 289 CG PHE A 20 6.354 5.510 6.258 1.00 0.00 C ATOM 290 CD1 PHE A 20 7.004 4.326 6.419 1.00 0.00 C ATOM 291 CD2 PHE A 20 6.067 5.965 5.009 1.00 0.00 C ATOM 292 CE1 PHE A 20 7.383 3.566 5.282 1.00 0.00 C ATOM 293 CE2 PHE A 20 6.447 5.204 3.872 1.00 0.00 C ATOM 294 CZ PHE A 20 7.097 4.020 4.032 1.00 0.00 C ATOM 0 H PHE A 20 5.702 7.014 9.761 1.00 0.00 H new ATOM 0 HA PHE A 20 7.999 6.343 8.226 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.410 5.683 8.179 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.246 7.107 7.171 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.231 3.965 7.411 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.550 6.905 4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.899 2.626 5.409 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.220 5.565 2.880 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.386 3.441 3.167 1.00 0.00 H new ATOM 304 N MET A 21 6.765 9.340 7.846 1.00 0.00 N ATOM 305 CA MET A 21 7.006 10.641 7.247 1.00 0.00 C ATOM 306 C MET A 21 8.258 11.294 7.838 1.00 0.00 C ATOM 307 O MET A 21 9.051 11.894 7.114 1.00 0.00 O ATOM 308 CB MET A 21 5.797 11.547 7.488 1.00 0.00 C ATOM 309 CG MET A 21 4.730 11.334 6.412 1.00 0.00 C ATOM 310 SD MET A 21 3.104 11.367 7.148 1.00 0.00 S ATOM 311 CE MET A 21 2.097 11.217 5.682 1.00 0.00 C ATOM 0 H MET A 21 6.012 9.320 8.534 1.00 0.00 H new ATOM 0 HA MET A 21 7.161 10.503 6.177 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.374 11.341 8.471 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.114 12.590 7.490 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.809 12.110 5.651 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.892 10.379 5.912 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.044 11.221 5.962 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.298 12.055 5.015 1.00 0.00 H new ATOM 0 HE3 MET A 21 2.333 10.283 5.172 1.00 0.00 H new ATOM 321 N LYS A 22 8.396 11.153 9.148 1.00 0.00 N ATOM 322 CA LYS A 22 9.537 11.722 9.845 1.00 0.00 C ATOM 323 C LYS A 22 10.816 11.024 9.375 1.00 0.00 C ATOM 324 O LYS A 22 11.894 11.617 9.391 1.00 0.00 O ATOM 325 CB LYS A 22 9.325 11.663 11.359 1.00 0.00 C ATOM 326 CG LYS A 22 8.225 12.631 11.797 1.00 0.00 C ATOM 327 CD LYS A 22 8.499 13.174 13.201 1.00 0.00 C ATOM 328 CE LYS A 22 7.195 13.397 13.967 1.00 0.00 C ATOM 329 NZ LYS A 22 6.996 14.837 14.245 1.00 0.00 N ATOM 0 H LYS A 22 7.737 10.653 9.745 1.00 0.00 H new ATOM 0 HA LYS A 22 9.642 12.779 9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.059 10.648 11.653 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.256 11.909 11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.161 13.458 11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.261 12.123 11.782 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.131 12.475 13.748 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.049 14.113 13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.356 13.013 13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.217 12.840 14.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.106 14.970 14.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.788 15.193 14.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.954 15.361 13.348 1.00 0.00 H new ATOM 342 N ALA A 23 10.653 9.773 8.968 1.00 0.00 N ATOM 343 CA ALA A 23 11.780 8.988 8.495 1.00 0.00 C ATOM 344 C ALA A 23 12.402 9.678 7.279 1.00 0.00 C ATOM 345 O ALA A 23 13.620 9.839 7.207 1.00 0.00 O ATOM 346 CB ALA A 23 11.316 7.564 8.182 1.00 0.00 C ATOM 0 H ALA A 23 9.758 9.284 8.956 1.00 0.00 H new ATOM 0 HA ALA A 23 12.549 8.919 9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.162 6.975 7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.909 7.107 9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.546 7.593 7.411 1.00 0.00 H new ATOM 352 N ILE A 24 11.538 10.069 6.353 1.00 0.00 N ATOM 353 CA ILE A 24 11.988 10.738 5.145 1.00 0.00 C ATOM 354 C ILE A 24 12.191 12.226 5.436 1.00 0.00 C ATOM 355 O ILE A 24 12.966 12.896 4.754 1.00 0.00 O ATOM 356 CB ILE A 24 11.022 10.463 3.990 1.00 0.00 C ATOM 357 CG1 ILE A 24 9.904 11.508 3.950 1.00 0.00 C ATOM 358 CG2 ILE A 24 10.472 9.038 4.061 1.00 0.00 C ATOM 359 CD1 ILE A 24 10.280 12.679 3.041 1.00 0.00 C ATOM 0 H ILE A 24 10.529 9.935 6.416 1.00 0.00 H new ATOM 0 HA ILE A 24 12.952 10.342 4.826 1.00 0.00 H new ATOM 0 HB ILE A 24 11.576 10.547 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.983 11.047 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.707 11.874 4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.789 8.870 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.296 8.327 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.939 8.900 5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.469 13.407 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.188 13.153 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.452 12.313 2.029 1.00 0.00 H new ATOM 371 N GLY A 25 11.482 12.700 6.450 1.00 0.00 N ATOM 372 CA GLY A 25 11.575 14.096 6.840 1.00 0.00 C ATOM 373 C GLY A 25 10.440 14.915 6.221 1.00 0.00 C ATOM 374 O GLY A 25 10.689 15.862 5.475 1.00 0.00 O ATOM 0 H GLY A 25 10.841 12.142 7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.536 14.177 7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.536 14.502 6.524 1.00 0.00 H new ATOM 378 N LEU A 26 9.220 14.522 6.554 1.00 0.00 N ATOM 379 CA LEU A 26 8.047 15.207 6.040 1.00 0.00 C ATOM 380 C LEU A 26 7.642 16.316 7.013 1.00 0.00 C ATOM 381 O LEU A 26 7.872 16.204 8.217 1.00 0.00 O ATOM 382 CB LEU A 26 6.926 14.207 5.748 1.00 0.00 C ATOM 383 CG LEU A 26 6.400 14.190 4.311 1.00 0.00 C ATOM 384 CD1 LEU A 26 7.056 13.072 3.499 1.00 0.00 C ATOM 385 CD2 LEU A 26 4.873 14.095 4.288 1.00 0.00 C ATOM 0 H LEU A 26 9.018 13.737 7.174 1.00 0.00 H new ATOM 0 HA LEU A 26 8.273 15.685 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.284 13.208 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.092 14.421 6.417 1.00 0.00 H new ATOM 0 HG LEU A 26 6.672 15.133 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.664 13.083 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.135 13.226 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.837 12.110 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.525 14.085 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.558 13.178 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.447 14.954 4.806 1.00 0.00 H new ATOM 397 N PRO A 27 7.031 17.388 6.442 1.00 0.00 N ATOM 398 CA PRO A 27 6.592 18.516 7.246 1.00 0.00 C ATOM 399 C PRO A 27 5.326 18.170 8.032 1.00 0.00 C ATOM 400 O PRO A 27 4.699 17.140 7.785 1.00 0.00 O ATOM 401 CB PRO A 27 6.384 19.649 6.254 1.00 0.00 C ATOM 402 CG PRO A 27 6.264 18.991 4.889 1.00 0.00 C ATOM 403 CD PRO A 27 6.742 17.554 5.020 1.00 0.00 C ATOM 0 HA PRO A 27 7.320 18.799 8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.486 20.218 6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.220 20.348 6.279 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.231 19.019 4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.863 19.527 4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.979 16.851 4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.629 17.375 4.412 1.00 0.00 H new ATOM 411 N GLU A 28 4.986 19.050 8.963 1.00 0.00 N ATOM 412 CA GLU A 28 3.807 18.850 9.787 1.00 0.00 C ATOM 413 C GLU A 28 2.540 19.142 8.979 1.00 0.00 C ATOM 414 O GLU A 28 1.506 18.508 9.187 1.00 0.00 O ATOM 415 CB GLU A 28 3.865 19.714 11.047 1.00 0.00 C ATOM 416 CG GLU A 28 2.473 19.890 11.657 1.00 0.00 C ATOM 417 CD GLU A 28 2.553 20.021 13.179 1.00 0.00 C ATOM 418 OE1 GLU A 28 3.014 21.053 13.690 1.00 0.00 O ATOM 419 OE2 GLU A 28 2.114 19.002 13.838 1.00 0.00 O ATOM 0 H GLU A 28 5.507 19.903 9.164 1.00 0.00 H new ATOM 0 HA GLU A 28 3.781 17.807 10.103 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.530 19.254 11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.285 20.690 10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.998 20.776 11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.847 19.037 11.394 1.00 0.00 H new ATOM 427 N GLU A 29 2.662 20.103 8.076 1.00 0.00 N ATOM 428 CA GLU A 29 1.539 20.487 7.237 1.00 0.00 C ATOM 429 C GLU A 29 1.076 19.298 6.393 1.00 0.00 C ATOM 430 O GLU A 29 -0.116 19.002 6.334 1.00 0.00 O ATOM 431 CB GLU A 29 1.901 21.680 6.349 1.00 0.00 C ATOM 432 CG GLU A 29 0.780 22.720 6.345 1.00 0.00 C ATOM 433 CD GLU A 29 1.350 24.140 6.342 1.00 0.00 C ATOM 434 OE1 GLU A 29 2.536 24.334 6.647 1.00 0.00 O ATOM 435 OE2 GLU A 29 0.513 25.064 6.006 1.00 0.00 O ATOM 0 H GLU A 29 3.520 20.627 7.907 1.00 0.00 H new ATOM 0 HA GLU A 29 0.716 20.792 7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.824 22.137 6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.087 21.337 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.148 22.576 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.146 22.580 7.221 1.00 0.00 H new ATOM 443 N LEU A 30 2.042 18.648 5.761 1.00 0.00 N ATOM 444 CA LEU A 30 1.748 17.497 4.925 1.00 0.00 C ATOM 445 C LEU A 30 1.357 16.314 5.811 1.00 0.00 C ATOM 446 O LEU A 30 0.490 15.521 5.448 1.00 0.00 O ATOM 447 CB LEU A 30 2.920 17.203 3.986 1.00 0.00 C ATOM 448 CG LEU A 30 3.114 18.182 2.826 1.00 0.00 C ATOM 449 CD1 LEU A 30 4.304 17.775 1.957 1.00 0.00 C ATOM 450 CD2 LEU A 30 1.829 18.323 2.008 1.00 0.00 C ATOM 0 H LEU A 30 3.030 18.897 5.811 1.00 0.00 H new ATOM 0 HA LEU A 30 0.896 17.705 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.836 17.184 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.786 16.203 3.573 1.00 0.00 H new ATOM 0 HG LEU A 30 3.341 19.163 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.419 18.488 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.211 17.767 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.132 16.779 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.994 19.024 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.548 17.351 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.029 18.694 2.648 1.00 0.00 H new ATOM 462 N ILE A 31 2.018 16.230 6.956 1.00 0.00 N ATOM 463 CA ILE A 31 1.751 15.156 7.898 1.00 0.00 C ATOM 464 C ILE A 31 0.333 15.309 8.452 1.00 0.00 C ATOM 465 O ILE A 31 -0.404 14.331 8.559 1.00 0.00 O ATOM 466 CB ILE A 31 2.833 15.111 8.980 1.00 0.00 C ATOM 467 CG1 ILE A 31 4.142 14.548 8.424 1.00 0.00 C ATOM 468 CG2 ILE A 31 2.350 14.332 10.205 1.00 0.00 C ATOM 469 CD1 ILE A 31 5.325 14.926 9.318 1.00 0.00 C ATOM 0 H ILE A 31 2.738 16.888 7.253 1.00 0.00 H new ATOM 0 HA ILE A 31 1.794 14.190 7.396 1.00 0.00 H new ATOM 0 HB ILE A 31 3.034 16.132 9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.072 13.463 8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.307 14.929 7.416 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.137 14.315 10.959 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.464 14.815 10.617 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.105 13.311 9.913 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.243 14.513 8.900 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.407 16.012 9.373 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.168 14.523 10.318 1.00 0.00 H new ATOM 481 N GLN A 32 -0.006 16.545 8.787 1.00 0.00 N ATOM 482 CA GLN A 32 -1.322 16.839 9.327 1.00 0.00 C ATOM 483 C GLN A 32 -2.390 16.666 8.246 1.00 0.00 C ATOM 484 O GLN A 32 -3.548 16.382 8.551 1.00 0.00 O ATOM 485 CB GLN A 32 -1.369 18.248 9.923 1.00 0.00 C ATOM 486 CG GLN A 32 -2.812 18.738 10.060 1.00 0.00 C ATOM 487 CD GLN A 32 -2.930 19.793 11.163 1.00 0.00 C ATOM 488 OE1 GLN A 32 -2.719 20.975 10.951 1.00 0.00 O ATOM 489 NE2 GLN A 32 -3.278 19.299 12.348 1.00 0.00 N ATOM 0 H GLN A 32 0.608 17.354 8.695 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.529 16.133 10.131 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.886 18.249 10.900 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.807 18.934 9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.149 19.158 9.112 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.466 17.896 10.286 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.440 18.298 12.456 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.383 19.922 13.149 1.00 0.00 H new ATOM 498 N LYS A 33 -1.963 16.843 7.004 1.00 0.00 N ATOM 499 CA LYS A 33 -2.869 16.709 5.876 1.00 0.00 C ATOM 500 C LYS A 33 -3.225 15.233 5.684 1.00 0.00 C ATOM 501 O LYS A 33 -4.400 14.878 5.616 1.00 0.00 O ATOM 502 CB LYS A 33 -2.271 17.364 4.629 1.00 0.00 C ATOM 503 CG LYS A 33 -3.342 18.119 3.839 1.00 0.00 C ATOM 504 CD LYS A 33 -2.774 18.663 2.526 1.00 0.00 C ATOM 505 CE LYS A 33 -3.446 19.984 2.144 1.00 0.00 C ATOM 506 NZ LYS A 33 -3.851 19.967 0.721 1.00 0.00 N ATOM 0 H LYS A 33 -1.002 17.078 6.754 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.801 17.239 6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.477 18.051 4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.817 16.602 3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.180 17.454 3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.730 18.941 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.699 18.813 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.922 17.932 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.319 20.150 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.761 20.813 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.305 20.871 0.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.011 19.830 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.521 19.188 0.560 1.00 0.00 H new ATOM 519 N GLY A 34 -2.187 14.413 5.604 1.00 0.00 N ATOM 520 CA GLY A 34 -2.375 12.984 5.422 1.00 0.00 C ATOM 521 C GLY A 34 -3.493 12.459 6.326 1.00 0.00 C ATOM 522 O GLY A 34 -4.493 11.933 5.840 1.00 0.00 O ATOM 0 H GLY A 34 -1.213 14.711 5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.617 12.775 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.446 12.460 5.645 1.00 0.00 H new ATOM 526 N LYS A 35 -3.285 12.620 7.625 1.00 0.00 N ATOM 527 CA LYS A 35 -4.263 12.168 8.600 1.00 0.00 C ATOM 528 C LYS A 35 -5.617 12.811 8.294 1.00 0.00 C ATOM 529 O LYS A 35 -6.661 12.266 8.649 1.00 0.00 O ATOM 530 CB LYS A 35 -3.763 12.435 10.022 1.00 0.00 C ATOM 531 CG LYS A 35 -3.811 13.929 10.349 1.00 0.00 C ATOM 532 CD LYS A 35 -4.140 14.157 11.825 1.00 0.00 C ATOM 533 CE LYS A 35 -5.649 14.299 12.034 1.00 0.00 C ATOM 534 NZ LYS A 35 -5.964 14.410 13.476 1.00 0.00 N ATOM 0 H LYS A 35 -2.454 13.057 8.024 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.400 11.089 8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.374 11.883 10.736 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.742 12.069 10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.851 14.388 10.112 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.560 14.417 9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.764 13.324 12.418 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.634 15.055 12.180 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.014 15.181 11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.164 13.438 11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.992 14.506 13.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.633 13.557 13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.488 15.246 13.872 1.00 0.00 H new ATOM 547 N ASP A 36 -5.556 13.959 7.637 1.00 0.00 N ATOM 548 CA ASP A 36 -6.765 14.683 7.279 1.00 0.00 C ATOM 549 C ASP A 36 -7.433 13.990 6.090 1.00 0.00 C ATOM 550 O ASP A 36 -8.564 14.318 5.731 1.00 0.00 O ATOM 551 CB ASP A 36 -6.446 16.122 6.870 1.00 0.00 C ATOM 552 CG ASP A 36 -7.406 17.178 7.419 1.00 0.00 C ATOM 553 OD1 ASP A 36 -8.625 16.961 7.485 1.00 0.00 O ATOM 554 OD2 ASP A 36 -6.848 18.279 7.795 1.00 0.00 O ATOM 0 H ASP A 36 -4.688 14.407 7.343 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.422 14.694 8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.436 16.363 7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.446 16.183 5.782 1.00 0.00 H new ATOM 560 N ILE A 37 -6.708 13.044 5.511 1.00 0.00 N ATOM 561 CA ILE A 37 -7.217 12.302 4.370 1.00 0.00 C ATOM 562 C ILE A 37 -7.299 10.817 4.728 1.00 0.00 C ATOM 563 O ILE A 37 -6.299 10.210 5.108 1.00 0.00 O ATOM 564 CB ILE A 37 -6.374 12.590 3.126 1.00 0.00 C ATOM 565 CG1 ILE A 37 -6.151 14.093 2.950 1.00 0.00 C ATOM 566 CG2 ILE A 37 -6.999 11.953 1.882 1.00 0.00 C ATOM 567 CD1 ILE A 37 -5.305 14.380 1.708 1.00 0.00 C ATOM 0 H ILE A 37 -5.771 12.774 5.811 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.228 12.626 4.124 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.394 12.134 3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.112 14.599 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.656 14.497 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.381 12.172 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.063 10.874 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.999 12.359 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.161 15.456 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.335 13.892 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.815 13.997 0.824 1.00 0.00 H new ATOM 579 N LYS A 38 -8.500 10.275 4.594 1.00 0.00 N ATOM 580 CA LYS A 38 -8.726 8.872 4.900 1.00 0.00 C ATOM 581 C LYS A 38 -8.128 8.010 3.786 1.00 0.00 C ATOM 582 O LYS A 38 -8.833 7.605 2.862 1.00 0.00 O ATOM 583 CB LYS A 38 -10.212 8.610 5.148 1.00 0.00 C ATOM 584 CG LYS A 38 -10.487 8.374 6.635 1.00 0.00 C ATOM 585 CD LYS A 38 -11.980 8.169 6.891 1.00 0.00 C ATOM 586 CE LYS A 38 -12.433 8.931 8.139 1.00 0.00 C ATOM 587 NZ LYS A 38 -13.445 8.149 8.885 1.00 0.00 N ATOM 0 H LYS A 38 -9.327 10.781 4.278 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.219 8.597 5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.798 9.459 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.533 7.741 4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.933 7.500 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.129 9.225 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.551 8.508 6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.189 7.106 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.575 9.133 8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.850 9.896 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.742 8.680 9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.270 7.978 8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.035 7.238 9.176 1.00 0.00 H new ATOM 600 N GLY A 39 -6.833 7.755 3.908 1.00 0.00 N ATOM 601 CA GLY A 39 -6.132 6.949 2.924 1.00 0.00 C ATOM 602 C GLY A 39 -6.884 5.646 2.647 1.00 0.00 C ATOM 603 O GLY A 39 -7.253 4.928 3.575 1.00 0.00 O ATOM 0 H GLY A 39 -6.251 8.093 4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.022 7.513 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.127 6.724 3.282 1.00 0.00 H new ATOM 607 N VAL A 40 -7.088 5.379 1.366 1.00 0.00 N ATOM 608 CA VAL A 40 -7.789 4.175 0.954 1.00 0.00 C ATOM 609 C VAL A 40 -6.957 3.440 -0.099 1.00 0.00 C ATOM 610 O VAL A 40 -6.203 4.062 -0.844 1.00 0.00 O ATOM 611 CB VAL A 40 -9.196 4.529 0.465 1.00 0.00 C ATOM 612 CG1 VAL A 40 -9.856 3.330 -0.219 1.00 0.00 C ATOM 613 CG2 VAL A 40 -10.061 5.050 1.613 1.00 0.00 C ATOM 0 H VAL A 40 -6.780 5.976 0.599 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.914 3.498 1.799 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.104 5.326 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.854 3.608 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.255 3.023 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.929 2.503 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.055 5.294 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.142 4.284 2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.604 5.944 2.036 1.00 0.00 H new ATOM 623 N SER A 41 -7.125 2.126 -0.126 1.00 0.00 N ATOM 624 CA SER A 41 -6.398 1.299 -1.076 1.00 0.00 C ATOM 625 C SER A 41 -7.362 0.345 -1.783 1.00 0.00 C ATOM 626 O SER A 41 -7.882 -0.585 -1.169 1.00 0.00 O ATOM 627 CB SER A 41 -5.286 0.511 -0.381 1.00 0.00 C ATOM 628 OG SER A 41 -5.779 -0.668 0.249 1.00 0.00 O ATOM 0 H SER A 41 -7.753 1.614 0.493 1.00 0.00 H new ATOM 0 HA SER A 41 -5.936 1.953 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.524 0.240 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.804 1.145 0.363 1.00 0.00 H new ATOM 0 HG SER A 41 -6.755 -0.699 0.167 1.00 0.00 H new ATOM 634 N GLU A 42 -7.571 0.609 -3.065 1.00 0.00 N ATOM 635 CA GLU A 42 -8.463 -0.215 -3.863 1.00 0.00 C ATOM 636 C GLU A 42 -7.670 -1.298 -4.598 1.00 0.00 C ATOM 637 O GLU A 42 -6.634 -1.014 -5.197 1.00 0.00 O ATOM 638 CB GLU A 42 -9.265 0.639 -4.846 1.00 0.00 C ATOM 639 CG GLU A 42 -10.439 1.326 -4.144 1.00 0.00 C ATOM 640 CD GLU A 42 -11.571 1.621 -5.130 1.00 0.00 C ATOM 641 OE1 GLU A 42 -11.702 2.760 -5.601 1.00 0.00 O ATOM 642 OE2 GLU A 42 -12.331 0.615 -5.405 1.00 0.00 O ATOM 0 H GLU A 42 -7.138 1.382 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.172 -0.702 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.615 1.390 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.637 0.013 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.809 0.690 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.100 2.255 -3.685 1.00 0.00 H new ATOM 650 N ILE A 43 -8.188 -2.515 -4.528 1.00 0.00 N ATOM 651 CA ILE A 43 -7.542 -3.642 -5.180 1.00 0.00 C ATOM 652 C ILE A 43 -8.362 -4.057 -6.403 1.00 0.00 C ATOM 653 O ILE A 43 -9.566 -4.286 -6.299 1.00 0.00 O ATOM 654 CB ILE A 43 -7.310 -4.777 -4.181 1.00 0.00 C ATOM 655 CG1 ILE A 43 -6.428 -4.314 -3.019 1.00 0.00 C ATOM 656 CG2 ILE A 43 -6.736 -6.013 -4.879 1.00 0.00 C ATOM 657 CD1 ILE A 43 -6.907 -4.912 -1.696 1.00 0.00 C ATOM 0 H ILE A 43 -9.048 -2.746 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.553 -3.358 -5.541 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.274 -5.063 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.395 -4.608 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.443 -3.226 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.580 -6.805 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.434 -6.357 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.784 -5.758 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.263 -4.567 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.932 -4.596 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.867 -6.000 -1.753 1.00 0.00 H new ATOM 669 N VAL A 44 -7.677 -4.143 -7.534 1.00 0.00 N ATOM 670 CA VAL A 44 -8.327 -4.526 -8.775 1.00 0.00 C ATOM 671 C VAL A 44 -7.727 -5.843 -9.275 1.00 0.00 C ATOM 672 O VAL A 44 -6.507 -5.993 -9.327 1.00 0.00 O ATOM 673 CB VAL A 44 -8.214 -3.393 -9.797 1.00 0.00 C ATOM 674 CG1 VAL A 44 -8.920 -3.760 -11.104 1.00 0.00 C ATOM 675 CG2 VAL A 44 -8.764 -2.085 -9.226 1.00 0.00 C ATOM 0 H VAL A 44 -6.678 -3.954 -7.616 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.392 -4.694 -8.612 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.157 -3.245 -10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.824 -2.937 -11.813 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.464 -4.656 -11.525 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.975 -3.948 -10.907 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.672 -1.295 -9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.814 -2.216 -8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.199 -1.811 -8.336 1.00 0.00 H new ATOM 685 N GLN A 45 -8.612 -6.763 -9.629 1.00 0.00 N ATOM 686 CA GLN A 45 -8.185 -8.061 -10.121 1.00 0.00 C ATOM 687 C GLN A 45 -8.995 -8.451 -11.360 1.00 0.00 C ATOM 688 O GLN A 45 -10.219 -8.336 -11.367 1.00 0.00 O ATOM 689 CB GLN A 45 -8.304 -9.128 -9.031 1.00 0.00 C ATOM 690 CG GLN A 45 -8.185 -10.533 -9.625 1.00 0.00 C ATOM 691 CD GLN A 45 -9.546 -11.042 -10.105 1.00 0.00 C ATOM 692 OE1 GLN A 45 -10.587 -10.714 -9.563 1.00 0.00 O ATOM 693 NE2 GLN A 45 -9.477 -11.862 -11.151 1.00 0.00 N ATOM 0 H GLN A 45 -9.623 -6.635 -9.585 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.134 -7.993 -10.403 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.525 -8.978 -8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.261 -9.025 -8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.483 -10.521 -10.458 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.781 -11.215 -8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.571 -12.096 -11.557 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.330 -12.257 -11.547 1.00 0.00 H new ATOM 702 N ASN A 46 -8.277 -8.904 -12.379 1.00 0.00 N ATOM 703 CA ASN A 46 -8.914 -9.312 -13.620 1.00 0.00 C ATOM 704 C ASN A 46 -7.938 -10.167 -14.431 1.00 0.00 C ATOM 705 O ASN A 46 -6.746 -9.867 -14.490 1.00 0.00 O ATOM 706 CB ASN A 46 -9.296 -8.097 -14.467 1.00 0.00 C ATOM 707 CG ASN A 46 -10.715 -7.627 -14.143 1.00 0.00 C ATOM 708 OD1 ASN A 46 -11.661 -8.397 -14.116 1.00 0.00 O ATOM 709 ND2 ASN A 46 -10.810 -6.323 -13.899 1.00 0.00 N ATOM 0 H ASN A 46 -7.261 -8.997 -12.370 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.814 -9.874 -13.370 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.590 -7.286 -14.285 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.226 -8.350 -15.525 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.715 -5.911 -13.672 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.978 -5.735 -13.938 1.00 0.00 H new ATOM 716 N GLY A 47 -8.480 -11.213 -15.036 1.00 0.00 N ATOM 717 CA GLY A 47 -7.672 -12.113 -15.841 1.00 0.00 C ATOM 718 C GLY A 47 -6.318 -12.375 -15.179 1.00 0.00 C ATOM 719 O GLY A 47 -5.307 -12.526 -15.864 1.00 0.00 O ATOM 0 H GLY A 47 -9.469 -11.458 -14.985 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.201 -13.056 -15.981 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.520 -11.683 -16.831 1.00 0.00 H new ATOM 723 N LYS A 48 -6.341 -12.422 -13.856 1.00 0.00 N ATOM 724 CA LYS A 48 -5.127 -12.662 -13.094 1.00 0.00 C ATOM 725 C LYS A 48 -4.410 -11.333 -12.851 1.00 0.00 C ATOM 726 O LYS A 48 -3.891 -11.093 -11.761 1.00 0.00 O ATOM 727 CB LYS A 48 -4.257 -13.712 -13.789 1.00 0.00 C ATOM 728 CG LYS A 48 -5.100 -14.898 -14.260 1.00 0.00 C ATOM 729 CD LYS A 48 -4.616 -15.412 -15.617 1.00 0.00 C ATOM 730 CE LYS A 48 -3.591 -16.535 -15.445 1.00 0.00 C ATOM 731 NZ LYS A 48 -2.291 -16.144 -16.032 1.00 0.00 N ATOM 0 H LYS A 48 -7.181 -12.298 -13.291 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.368 -13.077 -12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.748 -13.262 -14.641 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.484 -14.060 -13.104 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.048 -15.700 -13.524 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.146 -14.599 -14.333 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.465 -15.775 -16.196 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.172 -14.593 -16.183 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.465 -16.762 -14.386 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.955 -17.444 -15.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.607 -16.917 -15.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.412 -15.950 -17.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.938 -15.289 -15.556 1.00 0.00 H new ATOM 744 N HIS A 49 -4.405 -10.502 -13.883 1.00 0.00 N ATOM 745 CA HIS A 49 -3.760 -9.203 -13.795 1.00 0.00 C ATOM 746 C HIS A 49 -4.567 -8.292 -12.868 1.00 0.00 C ATOM 747 O HIS A 49 -5.788 -8.203 -12.987 1.00 0.00 O ATOM 748 CB HIS A 49 -3.557 -8.602 -15.186 1.00 0.00 C ATOM 749 CG HIS A 49 -3.107 -9.600 -16.226 1.00 0.00 C ATOM 750 ND1 HIS A 49 -3.309 -9.412 -17.583 1.00 0.00 N ATOM 751 CD2 HIS A 49 -2.463 -10.796 -16.095 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.806 -10.454 -18.229 1.00 0.00 C ATOM 753 NE2 HIS A 49 -2.283 -11.310 -17.305 1.00 0.00 N ATOM 0 H HIS A 49 -4.837 -10.703 -14.785 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.766 -9.315 -13.363 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -4.492 -8.147 -15.514 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.819 -7.802 -15.121 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.153 -11.248 -15.164 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.810 -10.600 -19.299 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.828 -12.200 -17.510 1.00 0.00 H new ATOM 761 N PHE A 50 -3.852 -7.638 -11.964 1.00 0.00 N ATOM 762 CA PHE A 50 -4.486 -6.736 -11.017 1.00 0.00 C ATOM 763 C PHE A 50 -4.218 -5.276 -11.386 1.00 0.00 C ATOM 764 O PHE A 50 -3.209 -4.968 -12.020 1.00 0.00 O ATOM 765 CB PHE A 50 -3.873 -7.025 -9.646 1.00 0.00 C ATOM 766 CG PHE A 50 -3.922 -8.500 -9.240 1.00 0.00 C ATOM 767 CD1 PHE A 50 -3.000 -9.371 -9.732 1.00 0.00 C ATOM 768 CD2 PHE A 50 -4.885 -8.939 -8.388 1.00 0.00 C ATOM 769 CE1 PHE A 50 -3.044 -10.740 -9.357 1.00 0.00 C ATOM 770 CE2 PHE A 50 -4.930 -10.307 -8.011 1.00 0.00 C ATOM 771 CZ PHE A 50 -4.009 -11.179 -8.503 1.00 0.00 C ATOM 0 H PHE A 50 -2.840 -7.715 -11.867 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.565 -6.890 -11.021 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.835 -6.693 -9.647 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.396 -6.434 -8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.234 -9.021 -10.408 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.616 -8.247 -7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.313 -11.432 -9.749 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.696 -10.655 -7.334 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.043 -12.220 -8.216 1.00 0.00 H new ATOM 781 N LYS A 51 -5.137 -4.416 -10.973 1.00 0.00 N ATOM 782 CA LYS A 51 -5.012 -2.995 -11.252 1.00 0.00 C ATOM 783 C LYS A 51 -4.782 -2.241 -9.942 1.00 0.00 C ATOM 784 O LYS A 51 -5.406 -2.546 -8.927 1.00 0.00 O ATOM 785 CB LYS A 51 -6.222 -2.497 -12.045 1.00 0.00 C ATOM 786 CG LYS A 51 -5.784 -1.801 -13.336 1.00 0.00 C ATOM 787 CD LYS A 51 -6.837 -1.969 -14.433 1.00 0.00 C ATOM 788 CE LYS A 51 -6.794 -3.381 -15.022 1.00 0.00 C ATOM 789 NZ LYS A 51 -7.579 -3.444 -16.274 1.00 0.00 N ATOM 0 H LYS A 51 -5.972 -4.676 -10.447 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.145 -2.805 -11.885 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.875 -3.336 -12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.802 -1.806 -11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.619 -0.741 -13.144 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.834 -2.215 -13.672 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.828 -1.772 -14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.666 -1.237 -15.222 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.761 -3.668 -15.219 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.191 -4.095 -14.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.539 -4.409 -16.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.568 -3.190 -16.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.182 -2.777 -16.966 1.00 0.00 H new ATOM 802 N PHE A 52 -3.883 -1.270 -10.005 1.00 0.00 N ATOM 803 CA PHE A 52 -3.561 -0.470 -8.836 1.00 0.00 C ATOM 804 C PHE A 52 -4.087 0.959 -8.987 1.00 0.00 C ATOM 805 O PHE A 52 -4.144 1.489 -10.096 1.00 0.00 O ATOM 806 CB PHE A 52 -2.036 -0.430 -8.726 1.00 0.00 C ATOM 807 CG PHE A 52 -1.420 -1.704 -8.146 1.00 0.00 C ATOM 808 CD1 PHE A 52 -1.385 -1.889 -6.799 1.00 0.00 C ATOM 809 CD2 PHE A 52 -0.907 -2.651 -8.976 1.00 0.00 C ATOM 810 CE1 PHE A 52 -0.813 -3.073 -6.259 1.00 0.00 C ATOM 811 CE2 PHE A 52 -0.335 -3.833 -8.437 1.00 0.00 C ATOM 812 CZ PHE A 52 -0.301 -4.020 -7.090 1.00 0.00 C ATOM 0 H PHE A 52 -3.367 -1.019 -10.848 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.021 -0.906 -7.950 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.615 -0.253 -9.716 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.749 0.416 -8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.792 -1.136 -6.140 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.935 -2.504 -10.046 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.785 -3.220 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.073 -4.584 -9.097 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.133 -4.920 -6.681 1.00 0.00 H new ATOM 822 N THR A 53 -4.459 1.542 -7.858 1.00 0.00 N ATOM 823 CA THR A 53 -4.979 2.898 -7.851 1.00 0.00 C ATOM 824 C THR A 53 -4.381 3.693 -6.689 1.00 0.00 C ATOM 825 O THR A 53 -4.229 3.169 -5.586 1.00 0.00 O ATOM 826 CB THR A 53 -6.506 2.819 -7.811 1.00 0.00 C ATOM 827 OG1 THR A 53 -6.850 2.133 -9.011 1.00 0.00 O ATOM 828 CG2 THR A 53 -7.168 4.190 -7.963 1.00 0.00 C ATOM 0 H THR A 53 -4.411 1.099 -6.940 1.00 0.00 H new ATOM 0 HA THR A 53 -4.691 3.436 -8.754 1.00 0.00 H new ATOM 0 HB THR A 53 -6.821 2.366 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.824 2.037 -9.065 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.252 4.077 -7.928 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.845 4.842 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.880 4.629 -8.918 1.00 0.00 H new ATOM 836 N ILE A 54 -4.056 4.946 -6.975 1.00 0.00 N ATOM 837 CA ILE A 54 -3.478 5.818 -5.967 1.00 0.00 C ATOM 838 C ILE A 54 -4.506 6.877 -5.563 1.00 0.00 C ATOM 839 O ILE A 54 -4.994 7.627 -6.408 1.00 0.00 O ATOM 840 CB ILE A 54 -2.155 6.404 -6.461 1.00 0.00 C ATOM 841 CG1 ILE A 54 -1.170 5.294 -6.837 1.00 0.00 C ATOM 842 CG2 ILE A 54 -1.564 7.370 -5.432 1.00 0.00 C ATOM 843 CD1 ILE A 54 -0.792 4.459 -5.612 1.00 0.00 C ATOM 0 H ILE A 54 -4.182 5.378 -7.891 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.234 5.251 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.353 6.979 -7.365 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.614 4.651 -7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.273 5.732 -7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.624 7.772 -5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.264 8.187 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.383 6.840 -4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.091 3.678 -5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.326 5.101 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.688 4.003 -5.192 1.00 0.00 H new ATOM 855 N THR A 55 -4.807 6.903 -4.274 1.00 0.00 N ATOM 856 CA THR A 55 -5.768 7.857 -3.748 1.00 0.00 C ATOM 857 C THR A 55 -5.062 8.907 -2.886 1.00 0.00 C ATOM 858 O THR A 55 -5.497 9.194 -1.772 1.00 0.00 O ATOM 859 CB THR A 55 -6.845 7.076 -2.994 1.00 0.00 C ATOM 860 OG1 THR A 55 -7.613 6.461 -4.024 1.00 0.00 O ATOM 861 CG2 THR A 55 -7.843 7.992 -2.281 1.00 0.00 C ATOM 0 H THR A 55 -4.402 6.278 -3.577 1.00 0.00 H new ATOM 0 HA THR A 55 -6.252 8.414 -4.550 1.00 0.00 H new ATOM 0 HB THR A 55 -6.372 6.418 -2.265 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.334 5.932 -3.623 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.586 7.387 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.314 8.615 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.341 8.628 -3.013 1.00 0.00 H new ATOM 869 N ALA A 56 -3.986 9.450 -3.435 1.00 0.00 N ATOM 870 CA ALA A 56 -3.216 10.461 -2.731 1.00 0.00 C ATOM 871 C ALA A 56 -3.799 11.843 -3.034 1.00 0.00 C ATOM 872 O ALA A 56 -3.495 12.436 -4.067 1.00 0.00 O ATOM 873 CB ALA A 56 -1.743 10.349 -3.129 1.00 0.00 C ATOM 0 H ALA A 56 -3.629 9.209 -4.360 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.275 10.308 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.165 11.107 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.369 9.359 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.644 10.500 -4.204 1.00 0.00 H new ATOM 879 N GLY A 57 -4.628 12.315 -2.113 1.00 0.00 N ATOM 880 CA GLY A 57 -5.256 13.615 -2.268 1.00 0.00 C ATOM 881 C GLY A 57 -6.036 13.693 -3.582 1.00 0.00 C ATOM 882 O GLY A 57 -7.102 13.092 -3.712 1.00 0.00 O ATOM 0 H GLY A 57 -4.879 11.820 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.928 13.801 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.495 14.395 -2.245 1.00 0.00 H new ATOM 886 N SER A 58 -5.477 14.439 -4.523 1.00 0.00 N ATOM 887 CA SER A 58 -6.107 14.605 -5.822 1.00 0.00 C ATOM 888 C SER A 58 -5.271 13.915 -6.901 1.00 0.00 C ATOM 889 O SER A 58 -5.647 13.905 -8.071 1.00 0.00 O ATOM 890 CB SER A 58 -6.293 16.086 -6.160 1.00 0.00 C ATOM 891 OG SER A 58 -7.524 16.328 -6.835 1.00 0.00 O ATOM 0 H SER A 58 -4.593 14.936 -4.412 1.00 0.00 H new ATOM 0 HA SER A 58 -7.093 14.143 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.261 16.674 -5.243 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.465 16.422 -6.784 1.00 0.00 H new ATOM 0 HG SER A 58 -7.606 17.284 -7.032 1.00 0.00 H new ATOM 897 N LYS A 59 -4.150 13.355 -6.468 1.00 0.00 N ATOM 898 CA LYS A 59 -3.256 12.664 -7.382 1.00 0.00 C ATOM 899 C LYS A 59 -3.687 11.201 -7.502 1.00 0.00 C ATOM 900 O LYS A 59 -3.766 10.490 -6.501 1.00 0.00 O ATOM 901 CB LYS A 59 -1.801 12.844 -6.946 1.00 0.00 C ATOM 902 CG LYS A 59 -0.951 13.399 -8.092 1.00 0.00 C ATOM 903 CD LYS A 59 0.491 13.637 -7.638 1.00 0.00 C ATOM 904 CE LYS A 59 0.994 15.004 -8.105 1.00 0.00 C ATOM 905 NZ LYS A 59 1.515 14.919 -9.488 1.00 0.00 N ATOM 0 H LYS A 59 -3.841 13.366 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.321 13.098 -8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.754 13.521 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.395 11.887 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.962 12.701 -8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.382 14.334 -8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.549 13.576 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.135 12.853 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.184 15.731 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.778 15.358 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.853 15.855 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.302 14.240 -9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.757 14.602 -10.126 1.00 0.00 H new ATOM 918 N VAL A 60 -3.955 10.795 -8.734 1.00 0.00 N ATOM 919 CA VAL A 60 -4.376 9.429 -8.997 1.00 0.00 C ATOM 920 C VAL A 60 -3.500 8.833 -10.101 1.00 0.00 C ATOM 921 O VAL A 60 -2.969 9.562 -10.937 1.00 0.00 O ATOM 922 CB VAL A 60 -5.868 9.397 -9.336 1.00 0.00 C ATOM 923 CG1 VAL A 60 -6.597 8.342 -8.501 1.00 0.00 C ATOM 924 CG2 VAL A 60 -6.502 10.777 -9.150 1.00 0.00 C ATOM 0 H VAL A 60 -3.889 11.388 -9.561 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.244 8.812 -8.108 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.967 9.121 -10.386 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.655 8.340 -8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.171 7.359 -8.704 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.484 8.574 -7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.562 10.727 -9.397 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.386 11.094 -8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.010 11.495 -9.806 1.00 0.00 H new ATOM 934 N ILE A 61 -3.376 7.515 -10.067 1.00 0.00 N ATOM 935 CA ILE A 61 -2.574 6.814 -11.055 1.00 0.00 C ATOM 936 C ILE A 61 -3.307 5.543 -11.492 1.00 0.00 C ATOM 937 O ILE A 61 -3.805 4.791 -10.656 1.00 0.00 O ATOM 938 CB ILE A 61 -1.166 6.556 -10.516 1.00 0.00 C ATOM 939 CG1 ILE A 61 -0.428 7.872 -10.259 1.00 0.00 C ATOM 940 CG2 ILE A 61 -0.382 5.631 -11.448 1.00 0.00 C ATOM 941 CD1 ILE A 61 0.865 7.631 -9.477 1.00 0.00 C ATOM 0 H ILE A 61 -3.817 6.914 -9.371 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.443 7.429 -11.945 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.256 6.045 -9.558 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.198 8.356 -11.208 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.073 8.552 -9.702 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.615 5.464 -11.041 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.902 4.677 -11.536 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.300 6.091 -12.433 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.370 8.582 -9.308 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.630 7.169 -8.518 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.517 6.970 -10.048 1.00 0.00 H new ATOM 953 N GLN A 62 -3.349 5.344 -12.801 1.00 0.00 N ATOM 954 CA GLN A 62 -4.013 4.178 -13.359 1.00 0.00 C ATOM 955 C GLN A 62 -3.021 3.340 -14.168 1.00 0.00 C ATOM 956 O GLN A 62 -2.460 3.816 -15.154 1.00 0.00 O ATOM 957 CB GLN A 62 -5.211 4.588 -14.218 1.00 0.00 C ATOM 958 CG GLN A 62 -4.775 5.481 -15.379 1.00 0.00 C ATOM 959 CD GLN A 62 -5.552 6.799 -15.380 1.00 0.00 C ATOM 960 OE1 GLN A 62 -6.667 6.892 -15.866 1.00 0.00 O ATOM 961 NE2 GLN A 62 -4.902 7.810 -14.810 1.00 0.00 N ATOM 0 H GLN A 62 -2.934 5.970 -13.491 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.388 3.569 -12.536 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.706 3.698 -14.606 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.940 5.116 -13.603 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.707 5.685 -15.304 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.935 4.960 -16.323 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.970 7.663 -14.422 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.336 8.732 -14.761 1.00 0.00 H new ATOM 970 N ASN A 63 -2.835 2.106 -13.721 1.00 0.00 N ATOM 971 CA ASN A 63 -1.921 1.197 -14.391 1.00 0.00 C ATOM 972 C ASN A 63 -2.319 -0.245 -14.072 1.00 0.00 C ATOM 973 O ASN A 63 -2.977 -0.504 -13.066 1.00 0.00 O ATOM 974 CB ASN A 63 -0.484 1.408 -13.911 1.00 0.00 C ATOM 975 CG ASN A 63 -0.329 0.999 -12.444 1.00 0.00 C ATOM 976 OD1 ASN A 63 -1.243 1.108 -11.643 1.00 0.00 O ATOM 977 ND2 ASN A 63 0.874 0.522 -12.139 1.00 0.00 N ATOM 0 H ASN A 63 -3.302 1.715 -12.903 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.976 1.392 -15.462 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.199 0.825 -14.529 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.207 2.455 -14.031 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.076 0.220 -11.186 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.594 0.458 -12.858 1.00 0.00 H new ATOM 984 N GLU A 64 -1.902 -1.148 -14.948 1.00 0.00 N ATOM 985 CA GLU A 64 -2.207 -2.558 -14.774 1.00 0.00 C ATOM 986 C GLU A 64 -0.931 -3.341 -14.458 1.00 0.00 C ATOM 987 O GLU A 64 0.156 -2.969 -14.897 1.00 0.00 O ATOM 988 CB GLU A 64 -2.906 -3.125 -16.010 1.00 0.00 C ATOM 989 CG GLU A 64 -1.968 -3.128 -17.218 1.00 0.00 C ATOM 990 CD GLU A 64 -2.577 -2.350 -18.387 1.00 0.00 C ATOM 991 OE1 GLU A 64 -2.568 -1.111 -18.378 1.00 0.00 O ATOM 992 OE2 GLU A 64 -3.072 -3.081 -19.328 1.00 0.00 O ATOM 0 H GLU A 64 -1.355 -0.930 -15.781 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.892 -2.660 -13.932 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.245 -4.141 -15.806 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.792 -2.532 -16.235 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.011 -2.685 -16.941 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.768 -4.155 -17.525 1.00 0.00 H new ATOM 1000 N PHE A 65 -1.105 -4.412 -13.697 1.00 0.00 N ATOM 1001 CA PHE A 65 0.019 -5.251 -13.317 1.00 0.00 C ATOM 1002 C PHE A 65 -0.337 -6.734 -13.442 1.00 0.00 C ATOM 1003 O PHE A 65 -1.507 -7.104 -13.363 1.00 0.00 O ATOM 1004 CB PHE A 65 0.337 -4.936 -11.854 1.00 0.00 C ATOM 1005 CG PHE A 65 1.183 -6.005 -11.158 1.00 0.00 C ATOM 1006 CD1 PHE A 65 0.582 -7.087 -10.594 1.00 0.00 C ATOM 1007 CD2 PHE A 65 2.535 -5.873 -11.101 1.00 0.00 C ATOM 1008 CE1 PHE A 65 1.366 -8.079 -9.948 1.00 0.00 C ATOM 1009 CE2 PHE A 65 3.320 -6.863 -10.455 1.00 0.00 C ATOM 1010 CZ PHE A 65 2.719 -7.946 -9.892 1.00 0.00 C ATOM 0 H PHE A 65 -2.008 -4.718 -13.333 1.00 0.00 H new ATOM 0 HA PHE A 65 0.869 -5.053 -13.970 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.862 -3.982 -11.804 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.598 -4.814 -11.307 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.492 -7.192 -10.638 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.012 -5.013 -11.548 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.889 -8.939 -9.501 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.394 -6.757 -10.410 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.316 -8.700 -9.401 1.00 0.00 H new ATOM 1020 N THR A 66 0.695 -7.543 -13.635 1.00 0.00 N ATOM 1021 CA THR A 66 0.506 -8.977 -13.772 1.00 0.00 C ATOM 1022 C THR A 66 1.200 -9.718 -12.627 1.00 0.00 C ATOM 1023 O THR A 66 2.182 -9.229 -12.072 1.00 0.00 O ATOM 1024 CB THR A 66 1.008 -9.390 -15.156 1.00 0.00 C ATOM 1025 OG1 THR A 66 0.348 -8.495 -16.047 1.00 0.00 O ATOM 1026 CG2 THR A 66 0.502 -10.772 -15.574 1.00 0.00 C ATOM 0 H THR A 66 1.664 -7.232 -13.700 1.00 0.00 H new ATOM 0 HA THR A 66 -0.548 -9.246 -13.700 1.00 0.00 H new ATOM 0 HB THR A 66 2.098 -9.385 -15.162 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.618 -8.692 -16.968 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.888 -11.017 -16.564 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.845 -11.517 -14.857 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.588 -10.768 -15.600 1.00 0.00 H new ATOM 1034 N VAL A 67 0.661 -10.885 -12.307 1.00 0.00 N ATOM 1035 CA VAL A 67 1.216 -11.699 -11.239 1.00 0.00 C ATOM 1036 C VAL A 67 2.603 -12.196 -11.651 1.00 0.00 C ATOM 1037 O VAL A 67 2.943 -12.190 -12.833 1.00 0.00 O ATOM 1038 CB VAL A 67 0.252 -12.834 -10.892 1.00 0.00 C ATOM 1039 CG1 VAL A 67 -0.365 -13.436 -12.155 1.00 0.00 C ATOM 1040 CG2 VAL A 67 0.950 -13.910 -10.057 1.00 0.00 C ATOM 0 H VAL A 67 -0.155 -11.287 -12.769 1.00 0.00 H new ATOM 0 HA VAL A 67 1.339 -11.107 -10.332 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.556 -12.415 -10.292 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.046 -14.241 -11.879 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.914 -12.665 -12.695 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.425 -13.832 -12.793 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.242 -14.706 -9.824 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.787 -14.322 -10.621 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.319 -13.469 -9.131 1.00 0.00 H new ATOM 1050 N GLY A 68 3.366 -12.615 -10.653 1.00 0.00 N ATOM 1051 CA GLY A 68 4.709 -13.116 -10.897 1.00 0.00 C ATOM 1052 C GLY A 68 5.403 -12.309 -11.995 1.00 0.00 C ATOM 1053 O GLY A 68 6.256 -12.833 -12.710 1.00 0.00 O ATOM 0 H GLY A 68 3.081 -12.618 -9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.293 -13.064 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.663 -14.166 -11.186 1.00 0.00 H new ATOM 1057 N GLU A 69 5.012 -11.047 -12.095 1.00 0.00 N ATOM 1058 CA GLU A 69 5.586 -10.163 -13.095 1.00 0.00 C ATOM 1059 C GLU A 69 6.148 -8.903 -12.432 1.00 0.00 C ATOM 1060 O GLU A 69 5.506 -8.317 -11.562 1.00 0.00 O ATOM 1061 CB GLU A 69 4.556 -9.804 -14.167 1.00 0.00 C ATOM 1062 CG GLU A 69 4.964 -8.534 -14.918 1.00 0.00 C ATOM 1063 CD GLU A 69 4.688 -8.671 -16.416 1.00 0.00 C ATOM 1064 OE1 GLU A 69 3.553 -8.976 -16.812 1.00 0.00 O ATOM 1065 OE2 GLU A 69 5.703 -8.446 -17.181 1.00 0.00 O ATOM 0 H GLU A 69 4.305 -10.616 -11.500 1.00 0.00 H new ATOM 0 HA GLU A 69 6.405 -10.688 -13.586 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.456 -10.630 -14.871 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.580 -9.659 -13.704 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.416 -7.680 -14.520 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.024 -8.336 -14.756 1.00 0.00 H new ATOM 1073 N GLU A 70 7.341 -8.526 -12.865 1.00 0.00 N ATOM 1074 CA GLU A 70 7.997 -7.347 -12.324 1.00 0.00 C ATOM 1075 C GLU A 70 7.704 -6.127 -13.200 1.00 0.00 C ATOM 1076 O GLU A 70 8.221 -6.017 -14.310 1.00 0.00 O ATOM 1077 CB GLU A 70 9.504 -7.574 -12.184 1.00 0.00 C ATOM 1078 CG GLU A 70 10.246 -6.243 -12.046 1.00 0.00 C ATOM 1079 CD GLU A 70 11.500 -6.402 -11.182 1.00 0.00 C ATOM 1080 OE1 GLU A 70 12.610 -6.533 -11.718 1.00 0.00 O ATOM 1081 OE2 GLU A 70 11.289 -6.384 -9.909 1.00 0.00 O ATOM 0 H GLU A 70 7.872 -9.016 -13.585 1.00 0.00 H new ATOM 0 HA GLU A 70 7.598 -7.158 -11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.702 -8.198 -11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.877 -8.114 -13.054 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.524 -5.873 -13.033 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.586 -5.499 -11.601 1.00 0.00 H new ATOM 1089 N CYS A 71 6.874 -5.242 -12.667 1.00 0.00 N ATOM 1090 CA CYS A 71 6.507 -4.034 -13.387 1.00 0.00 C ATOM 1091 C CYS A 71 7.160 -2.841 -12.688 1.00 0.00 C ATOM 1092 O CYS A 71 7.836 -3.005 -11.673 1.00 0.00 O ATOM 1093 CB CYS A 71 4.988 -3.876 -13.487 1.00 0.00 C ATOM 1094 SG CYS A 71 4.333 -4.948 -14.816 1.00 0.00 S ATOM 0 H CYS A 71 6.446 -5.337 -11.746 1.00 0.00 H new ATOM 0 HA CYS A 71 6.869 -4.094 -14.413 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.524 -4.137 -12.536 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.735 -2.835 -13.690 1.00 0.00 H new ATOM 0 HG CYS A 71 3.043 -4.808 -14.890 1.00 0.00 H new ATOM 1100 N GLU A 72 6.936 -1.667 -13.258 1.00 0.00 N ATOM 1101 CA GLU A 72 7.495 -0.446 -12.703 1.00 0.00 C ATOM 1102 C GLU A 72 6.379 0.549 -12.377 1.00 0.00 C ATOM 1103 O GLU A 72 5.525 0.825 -13.218 1.00 0.00 O ATOM 1104 CB GLU A 72 8.520 0.172 -13.657 1.00 0.00 C ATOM 1105 CG GLU A 72 7.835 0.755 -14.895 1.00 0.00 C ATOM 1106 CD GLU A 72 8.861 1.120 -15.968 1.00 0.00 C ATOM 1107 OE1 GLU A 72 9.830 1.839 -15.682 1.00 0.00 O ATOM 1108 OE2 GLU A 72 8.625 0.628 -17.138 1.00 0.00 O ATOM 0 H GLU A 72 6.375 -1.535 -14.099 1.00 0.00 H new ATOM 0 HA GLU A 72 8.014 -0.696 -11.778 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.076 0.955 -13.142 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.243 -0.585 -13.960 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.125 0.032 -15.297 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.264 1.641 -14.616 1.00 0.00 H new ATOM 1116 N LEU A 73 6.424 1.061 -11.155 1.00 0.00 N ATOM 1117 CA LEU A 73 5.427 2.018 -10.709 1.00 0.00 C ATOM 1118 C LEU A 73 6.130 3.280 -10.203 1.00 0.00 C ATOM 1119 O LEU A 73 7.103 3.196 -9.457 1.00 0.00 O ATOM 1120 CB LEU A 73 4.494 1.380 -9.678 1.00 0.00 C ATOM 1121 CG LEU A 73 5.122 1.035 -8.326 1.00 0.00 C ATOM 1122 CD1 LEU A 73 4.870 2.147 -7.306 1.00 0.00 C ATOM 1123 CD2 LEU A 73 4.633 -0.325 -7.824 1.00 0.00 C ATOM 0 H LEU A 73 7.135 0.831 -10.461 1.00 0.00 H new ATOM 0 HA LEU A 73 4.788 2.318 -11.540 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.658 2.058 -9.505 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.081 0.467 -10.107 1.00 0.00 H new ATOM 0 HG LEU A 73 6.201 0.959 -8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.326 1.877 -6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.307 3.078 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.797 2.279 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.095 -0.545 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.549 -0.302 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.906 -1.098 -8.543 1.00 0.00 H new ATOM 1135 N GLU A 74 5.607 4.421 -10.630 1.00 0.00 N ATOM 1136 CA GLU A 74 6.172 5.698 -10.230 1.00 0.00 C ATOM 1137 C GLU A 74 5.773 6.028 -8.790 1.00 0.00 C ATOM 1138 O GLU A 74 4.595 6.226 -8.499 1.00 0.00 O ATOM 1139 CB GLU A 74 5.742 6.812 -11.187 1.00 0.00 C ATOM 1140 CG GLU A 74 6.956 7.573 -11.723 1.00 0.00 C ATOM 1141 CD GLU A 74 6.773 7.926 -13.200 1.00 0.00 C ATOM 1142 OE1 GLU A 74 6.473 9.084 -13.529 1.00 0.00 O ATOM 1143 OE2 GLU A 74 6.956 6.948 -14.021 1.00 0.00 O ATOM 0 H GLU A 74 4.799 4.487 -11.249 1.00 0.00 H new ATOM 0 HA GLU A 74 7.258 5.623 -10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.180 6.386 -12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.074 7.502 -10.671 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.104 8.484 -11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.854 6.967 -11.599 1.00 0.00 H new ATOM 1151 N THR A 75 6.778 6.076 -7.927 1.00 0.00 N ATOM 1152 CA THR A 75 6.546 6.378 -6.526 1.00 0.00 C ATOM 1153 C THR A 75 5.879 7.747 -6.377 1.00 0.00 C ATOM 1154 O THR A 75 5.418 8.326 -7.361 1.00 0.00 O ATOM 1155 CB THR A 75 7.883 6.270 -5.791 1.00 0.00 C ATOM 1156 OG1 THR A 75 8.726 7.200 -6.467 1.00 0.00 O ATOM 1157 CG2 THR A 75 8.566 4.919 -6.012 1.00 0.00 C ATOM 0 H THR A 75 7.754 5.911 -8.172 1.00 0.00 H new ATOM 0 HA THR A 75 5.854 5.665 -6.078 1.00 0.00 H new ATOM 0 HB THR A 75 7.724 6.425 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.173 7.773 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.511 4.896 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.919 4.120 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.756 4.777 -7.076 1.00 0.00 H new ATOM 1165 N MET A 76 5.849 8.225 -5.142 1.00 0.00 N ATOM 1166 CA MET A 76 5.247 9.515 -4.853 1.00 0.00 C ATOM 1167 C MET A 76 6.313 10.608 -4.757 1.00 0.00 C ATOM 1168 O MET A 76 5.990 11.794 -4.720 1.00 0.00 O ATOM 1169 CB MET A 76 4.477 9.436 -3.534 1.00 0.00 C ATOM 1170 CG MET A 76 5.395 9.004 -2.389 1.00 0.00 C ATOM 1171 SD MET A 76 4.795 9.664 -0.843 1.00 0.00 S ATOM 1172 CE MET A 76 4.556 8.149 0.070 1.00 0.00 C ATOM 0 H MET A 76 6.232 7.742 -4.330 1.00 0.00 H new ATOM 0 HA MET A 76 4.566 9.767 -5.666 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.038 10.407 -3.306 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.653 8.729 -3.631 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.438 7.916 -2.337 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.410 9.355 -2.574 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.181 8.380 1.067 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.835 7.520 -0.452 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.506 7.621 0.153 1.00 0.00 H new ATOM 1182 N THR A 77 7.563 10.170 -4.721 1.00 0.00 N ATOM 1183 CA THR A 77 8.679 11.096 -4.629 1.00 0.00 C ATOM 1184 C THR A 77 9.265 11.363 -6.016 1.00 0.00 C ATOM 1185 O THR A 77 10.259 12.076 -6.148 1.00 0.00 O ATOM 1186 CB THR A 77 9.693 10.519 -3.641 1.00 0.00 C ATOM 1187 OG1 THR A 77 8.914 10.196 -2.492 1.00 0.00 O ATOM 1188 CG2 THR A 77 10.683 11.571 -3.136 1.00 0.00 C ATOM 0 H THR A 77 7.828 9.185 -4.754 1.00 0.00 H new ATOM 0 HA THR A 77 8.357 12.068 -4.254 1.00 0.00 H new ATOM 0 HB THR A 77 10.240 9.705 -4.117 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.494 9.813 -1.801 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.381 11.109 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.235 11.986 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.139 12.369 -2.631 1.00 0.00 H new ATOM 1196 N GLY A 78 8.626 10.776 -7.017 1.00 0.00 N ATOM 1197 CA GLY A 78 9.071 10.940 -8.390 1.00 0.00 C ATOM 1198 C GLY A 78 10.219 9.982 -8.713 1.00 0.00 C ATOM 1199 O GLY A 78 11.319 10.416 -9.052 1.00 0.00 O ATOM 0 H GLY A 78 7.802 10.185 -6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.239 10.758 -9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.395 11.968 -8.551 1.00 0.00 H new ATOM 1203 N GLU A 79 9.926 8.695 -8.594 1.00 0.00 N ATOM 1204 CA GLU A 79 10.919 7.672 -8.868 1.00 0.00 C ATOM 1205 C GLU A 79 10.252 6.430 -9.462 1.00 0.00 C ATOM 1206 O GLU A 79 9.169 6.037 -9.030 1.00 0.00 O ATOM 1207 CB GLU A 79 11.708 7.320 -7.605 1.00 0.00 C ATOM 1208 CG GLU A 79 12.994 8.145 -7.515 1.00 0.00 C ATOM 1209 CD GLU A 79 14.227 7.240 -7.536 1.00 0.00 C ATOM 1210 OE1 GLU A 79 14.132 6.053 -7.186 1.00 0.00 O ATOM 1211 OE2 GLU A 79 15.314 7.808 -7.934 1.00 0.00 O ATOM 0 H GLU A 79 9.013 8.338 -8.311 1.00 0.00 H new ATOM 0 HA GLU A 79 11.625 8.066 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.092 7.502 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.952 6.258 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.039 8.847 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.988 8.736 -6.599 1.00 0.00 H new ATOM 1219 N LYS A 80 10.927 5.845 -10.441 1.00 0.00 N ATOM 1220 CA LYS A 80 10.412 4.656 -11.097 1.00 0.00 C ATOM 1221 C LYS A 80 11.198 3.433 -10.617 1.00 0.00 C ATOM 1222 O LYS A 80 12.387 3.302 -10.906 1.00 0.00 O ATOM 1223 CB LYS A 80 10.423 4.835 -12.618 1.00 0.00 C ATOM 1224 CG LYS A 80 11.854 4.847 -13.158 1.00 0.00 C ATOM 1225 CD LYS A 80 11.897 5.406 -14.582 1.00 0.00 C ATOM 1226 CE LYS A 80 12.814 4.565 -15.472 1.00 0.00 C ATOM 1227 NZ LYS A 80 14.234 4.874 -15.192 1.00 0.00 N ATOM 0 H LYS A 80 11.826 6.173 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 80 9.369 4.493 -10.825 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.860 4.028 -13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.923 5.767 -12.882 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.487 5.450 -12.507 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.259 3.835 -13.148 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.891 5.421 -15.001 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.250 6.437 -14.562 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.626 3.505 -15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.593 4.762 -16.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.843 4.295 -15.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.413 5.881 -15.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.445 4.664 -14.196 1.00 0.00 H new ATOM 1240 N VAL A 81 10.502 2.570 -9.893 1.00 0.00 N ATOM 1241 CA VAL A 81 11.120 1.363 -9.370 1.00 0.00 C ATOM 1242 C VAL A 81 10.377 0.140 -9.911 1.00 0.00 C ATOM 1243 O VAL A 81 9.188 0.216 -10.215 1.00 0.00 O ATOM 1244 CB VAL A 81 11.155 1.413 -7.841 1.00 0.00 C ATOM 1245 CG1 VAL A 81 11.380 2.844 -7.344 1.00 0.00 C ATOM 1246 CG2 VAL A 81 9.877 0.820 -7.243 1.00 0.00 C ATOM 0 H VAL A 81 9.516 2.682 -9.656 1.00 0.00 H new ATOM 0 HA VAL A 81 12.155 1.289 -9.703 1.00 0.00 H new ATOM 0 HB VAL A 81 11.995 0.805 -7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.401 2.852 -6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.330 3.217 -7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.570 3.483 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.928 0.868 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.015 1.388 -7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.777 -0.219 -7.556 1.00 0.00 H new ATOM 1256 N LYS A 82 11.109 -0.960 -10.014 1.00 0.00 N ATOM 1257 CA LYS A 82 10.535 -2.197 -10.513 1.00 0.00 C ATOM 1258 C LYS A 82 10.040 -3.036 -9.333 1.00 0.00 C ATOM 1259 O LYS A 82 10.838 -3.510 -8.526 1.00 0.00 O ATOM 1260 CB LYS A 82 11.535 -2.929 -11.411 1.00 0.00 C ATOM 1261 CG LYS A 82 11.337 -2.542 -12.878 1.00 0.00 C ATOM 1262 CD LYS A 82 12.602 -1.900 -13.451 1.00 0.00 C ATOM 1263 CE LYS A 82 13.531 -2.957 -14.050 1.00 0.00 C ATOM 1264 NZ LYS A 82 13.545 -2.859 -15.527 1.00 0.00 N ATOM 0 H LYS A 82 12.095 -1.020 -9.760 1.00 0.00 H new ATOM 0 HA LYS A 82 9.670 -1.989 -11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.552 -2.688 -11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.413 -4.006 -11.295 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.079 -3.427 -13.460 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.501 -1.848 -12.965 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.330 -1.174 -14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.125 -1.354 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.541 -2.824 -13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.202 -3.952 -13.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.181 -3.584 -15.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.583 -3.008 -15.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.881 -1.916 -15.809 1.00 0.00 H new ATOM 1277 N THR A 83 8.726 -3.195 -9.271 1.00 0.00 N ATOM 1278 CA THR A 83 8.116 -3.969 -8.204 1.00 0.00 C ATOM 1279 C THR A 83 7.664 -5.335 -8.726 1.00 0.00 C ATOM 1280 O THR A 83 7.340 -5.477 -9.904 1.00 0.00 O ATOM 1281 CB THR A 83 6.976 -3.139 -7.610 1.00 0.00 C ATOM 1282 OG1 THR A 83 7.486 -1.808 -7.597 1.00 0.00 O ATOM 1283 CG2 THR A 83 6.728 -3.456 -6.134 1.00 0.00 C ATOM 0 H THR A 83 8.067 -2.801 -9.943 1.00 0.00 H new ATOM 0 HA THR A 83 8.832 -4.180 -7.410 1.00 0.00 H new ATOM 0 HB THR A 83 6.063 -3.318 -8.178 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.213 -1.361 -6.768 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.909 -2.840 -5.762 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.467 -4.509 -6.027 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.630 -3.245 -5.560 1.00 0.00 H new ATOM 1291 N VAL A 84 7.657 -6.305 -7.824 1.00 0.00 N ATOM 1292 CA VAL A 84 7.250 -7.654 -8.179 1.00 0.00 C ATOM 1293 C VAL A 84 6.399 -8.238 -7.050 1.00 0.00 C ATOM 1294 O VAL A 84 6.768 -8.152 -5.879 1.00 0.00 O ATOM 1295 CB VAL A 84 8.481 -8.503 -8.500 1.00 0.00 C ATOM 1296 CG1 VAL A 84 9.004 -9.209 -7.247 1.00 0.00 C ATOM 1297 CG2 VAL A 84 8.176 -9.511 -9.611 1.00 0.00 C ATOM 0 H VAL A 84 7.927 -6.184 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 84 6.634 -7.644 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 84 9.264 -7.835 -8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.879 -9.806 -7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.279 -8.466 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.227 -9.859 -6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.067 -10.102 -9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.369 -10.171 -9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.874 -8.978 -10.513 1.00 0.00 H new ATOM 1307 N VAL A 85 5.275 -8.822 -7.441 1.00 0.00 N ATOM 1308 CA VAL A 85 4.368 -9.421 -6.476 1.00 0.00 C ATOM 1309 C VAL A 85 4.472 -10.945 -6.563 1.00 0.00 C ATOM 1310 O VAL A 85 4.300 -11.522 -7.636 1.00 0.00 O ATOM 1311 CB VAL A 85 2.946 -8.905 -6.704 1.00 0.00 C ATOM 1312 CG1 VAL A 85 2.008 -9.371 -5.589 1.00 0.00 C ATOM 1313 CG2 VAL A 85 2.930 -7.380 -6.834 1.00 0.00 C ATOM 0 H VAL A 85 4.972 -8.893 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 85 4.645 -9.133 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 85 2.584 -9.325 -7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.004 -8.990 -5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.984 -10.460 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.367 -8.995 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.907 -7.039 -6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.321 -6.933 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.550 -7.080 -7.679 1.00 0.00 H new ATOM 1323 N GLN A 86 4.754 -11.554 -5.421 1.00 0.00 N ATOM 1324 CA GLN A 86 4.883 -12.999 -5.355 1.00 0.00 C ATOM 1325 C GLN A 86 3.748 -13.596 -4.519 1.00 0.00 C ATOM 1326 O GLN A 86 3.366 -13.034 -3.495 1.00 0.00 O ATOM 1327 CB GLN A 86 6.248 -13.402 -4.792 1.00 0.00 C ATOM 1328 CG GLN A 86 6.847 -14.564 -5.588 1.00 0.00 C ATOM 1329 CD GLN A 86 8.330 -14.746 -5.259 1.00 0.00 C ATOM 1330 OE1 GLN A 86 9.146 -13.857 -5.439 1.00 0.00 O ATOM 1331 NE2 GLN A 86 8.632 -15.945 -4.769 1.00 0.00 N ATOM 0 H GLN A 86 4.897 -11.072 -4.533 1.00 0.00 H new ATOM 0 HA GLN A 86 4.811 -13.397 -6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.925 -12.548 -4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.144 -13.689 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.305 -15.482 -5.362 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.728 -14.378 -6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.900 -16.644 -4.643 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.596 -16.166 -4.519 1.00 0.00 H new ATOM 1340 N LEU A 87 3.242 -14.726 -4.989 1.00 0.00 N ATOM 1341 CA LEU A 87 2.158 -15.405 -4.299 1.00 0.00 C ATOM 1342 C LEU A 87 2.694 -16.685 -3.653 1.00 0.00 C ATOM 1343 O LEU A 87 3.228 -17.554 -4.340 1.00 0.00 O ATOM 1344 CB LEU A 87 0.982 -15.641 -5.249 1.00 0.00 C ATOM 1345 CG LEU A 87 0.848 -17.058 -5.812 1.00 0.00 C ATOM 1346 CD1 LEU A 87 0.411 -18.041 -4.724 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -0.092 -17.082 -7.018 1.00 0.00 C ATOM 0 H LEU A 87 3.562 -15.189 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 87 1.767 -14.781 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.060 -15.392 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.070 -14.946 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 87 1.828 -17.381 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.323 -19.040 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.152 -18.051 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.554 -17.733 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.170 -18.100 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.079 -16.731 -6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.302 -16.432 -7.799 1.00 0.00 H new ATOM 1359 N GLU A 88 2.531 -16.759 -2.341 1.00 0.00 N ATOM 1360 CA GLU A 88 2.991 -17.918 -1.594 1.00 0.00 C ATOM 1361 C GLU A 88 2.054 -18.198 -0.417 1.00 0.00 C ATOM 1362 O GLU A 88 2.144 -17.545 0.622 1.00 0.00 O ATOM 1363 CB GLU A 88 4.431 -17.725 -1.114 1.00 0.00 C ATOM 1364 CG GLU A 88 5.368 -18.741 -1.770 1.00 0.00 C ATOM 1365 CD GLU A 88 6.803 -18.565 -1.269 1.00 0.00 C ATOM 1366 OE1 GLU A 88 7.020 -18.378 -0.062 1.00 0.00 O ATOM 1367 OE2 GLU A 88 7.712 -18.633 -2.182 1.00 0.00 O ATOM 0 H GLU A 88 2.087 -16.036 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 88 2.977 -18.782 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.764 -16.714 -1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.474 -17.832 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.024 -19.752 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.340 -18.621 -2.853 1.00 0.00 H new ATOM 1375 N GLY A 89 1.175 -19.168 -0.620 1.00 0.00 N ATOM 1376 CA GLY A 89 0.222 -19.542 0.412 1.00 0.00 C ATOM 1377 C GLY A 89 -1.194 -19.638 -0.159 1.00 0.00 C ATOM 1378 O GLY A 89 -1.374 -19.955 -1.334 1.00 0.00 O ATOM 0 H GLY A 89 1.102 -19.706 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.508 -20.500 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.245 -18.807 1.217 1.00 0.00 H new ATOM 1382 N ASP A 90 -2.164 -19.358 0.699 1.00 0.00 N ATOM 1383 CA ASP A 90 -3.559 -19.408 0.295 1.00 0.00 C ATOM 1384 C ASP A 90 -4.126 -17.987 0.255 1.00 0.00 C ATOM 1385 O ASP A 90 -5.162 -17.745 -0.361 1.00 0.00 O ATOM 1386 CB ASP A 90 -4.391 -20.221 1.288 1.00 0.00 C ATOM 1387 CG ASP A 90 -4.904 -21.561 0.757 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -4.191 -22.279 0.041 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -6.107 -21.863 1.111 1.00 0.00 O ATOM 0 H ASP A 90 -2.011 -19.096 1.673 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.609 -19.878 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.789 -20.406 2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.245 -19.620 1.601 1.00 0.00 H new ATOM 1395 N ASN A 91 -3.420 -17.084 0.920 1.00 0.00 N ATOM 1396 CA ASN A 91 -3.840 -15.694 0.968 1.00 0.00 C ATOM 1397 C ASN A 91 -2.682 -14.833 1.478 1.00 0.00 C ATOM 1398 O ASN A 91 -2.857 -14.029 2.393 1.00 0.00 O ATOM 1399 CB ASN A 91 -5.023 -15.508 1.922 1.00 0.00 C ATOM 1400 CG ASN A 91 -4.799 -16.273 3.228 1.00 0.00 C ATOM 1401 OD1 ASN A 91 -4.854 -17.490 3.281 1.00 0.00 O ATOM 1402 ND2 ASN A 91 -4.544 -15.493 4.274 1.00 0.00 N ATOM 0 H ASN A 91 -2.560 -17.288 1.430 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.137 -15.397 -0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.159 -14.448 2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.939 -15.857 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.380 -15.908 5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.513 -14.480 4.159 1.00 0.00 H new ATOM 1409 N LYS A 92 -1.525 -15.031 0.865 1.00 0.00 N ATOM 1410 CA LYS A 92 -0.339 -14.283 1.245 1.00 0.00 C ATOM 1411 C LYS A 92 0.412 -13.851 -0.015 1.00 0.00 C ATOM 1412 O LYS A 92 0.654 -14.662 -0.907 1.00 0.00 O ATOM 1413 CB LYS A 92 0.516 -15.095 2.222 1.00 0.00 C ATOM 1414 CG LYS A 92 1.626 -14.232 2.826 1.00 0.00 C ATOM 1415 CD LYS A 92 2.658 -15.097 3.553 1.00 0.00 C ATOM 1416 CE LYS A 92 4.082 -14.637 3.234 1.00 0.00 C ATOM 1417 NZ LYS A 92 4.978 -15.803 3.072 1.00 0.00 N ATOM 0 H LYS A 92 -1.383 -15.699 0.107 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.617 -13.374 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.114 -15.493 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.954 -15.948 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.116 -13.660 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.194 -13.512 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.488 -15.046 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.535 -16.140 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.082 -14.041 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.451 -13.995 4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.941 -15.474 2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.991 -16.356 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.633 -16.400 2.293 1.00 0.00 H new ATOM 1430 N LEU A 93 0.761 -12.573 -0.048 1.00 0.00 N ATOM 1431 CA LEU A 93 1.479 -12.022 -1.185 1.00 0.00 C ATOM 1432 C LEU A 93 2.793 -11.405 -0.702 1.00 0.00 C ATOM 1433 O LEU A 93 2.823 -10.722 0.321 1.00 0.00 O ATOM 1434 CB LEU A 93 0.590 -11.048 -1.961 1.00 0.00 C ATOM 1435 CG LEU A 93 -0.777 -11.584 -2.389 1.00 0.00 C ATOM 1436 CD1 LEU A 93 -1.783 -10.445 -2.560 1.00 0.00 C ATOM 1437 CD2 LEU A 93 -0.658 -12.439 -3.653 1.00 0.00 C ATOM 0 H LEU A 93 0.560 -11.903 0.695 1.00 0.00 H new ATOM 0 HA LEU A 93 1.737 -12.811 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.434 -10.161 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.128 -10.728 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.155 -12.230 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.747 -10.853 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.896 -9.915 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.424 -9.754 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.644 -12.808 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.250 -11.835 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.004 -13.283 -3.460 1.00 0.00 H new ATOM 1449 N VAL A 94 3.847 -11.665 -1.461 1.00 0.00 N ATOM 1450 CA VAL A 94 5.160 -11.143 -1.122 1.00 0.00 C ATOM 1451 C VAL A 94 5.643 -10.223 -2.246 1.00 0.00 C ATOM 1452 O VAL A 94 5.836 -10.667 -3.377 1.00 0.00 O ATOM 1453 CB VAL A 94 6.125 -12.296 -0.838 1.00 0.00 C ATOM 1454 CG1 VAL A 94 7.422 -11.784 -0.207 1.00 0.00 C ATOM 1455 CG2 VAL A 94 5.466 -13.357 0.046 1.00 0.00 C ATOM 0 H VAL A 94 3.819 -12.230 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 94 5.110 -10.547 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 94 6.378 -12.763 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.090 -12.624 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.906 -11.083 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.195 -11.279 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.173 -14.165 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.170 -12.908 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.585 -13.755 -0.458 1.00 0.00 H new ATOM 1465 N THR A 95 5.825 -8.958 -1.895 1.00 0.00 N ATOM 1466 CA THR A 95 6.281 -7.972 -2.859 1.00 0.00 C ATOM 1467 C THR A 95 7.397 -7.115 -2.258 1.00 0.00 C ATOM 1468 O THR A 95 7.404 -6.855 -1.056 1.00 0.00 O ATOM 1469 CB THR A 95 5.068 -7.159 -3.314 1.00 0.00 C ATOM 1470 OG1 THR A 95 5.550 -5.819 -3.373 1.00 0.00 O ATOM 1471 CG2 THR A 95 3.964 -7.111 -2.256 1.00 0.00 C ATOM 0 H THR A 95 5.665 -8.594 -0.956 1.00 0.00 H new ATOM 0 HA THR A 95 6.718 -8.449 -3.736 1.00 0.00 H new ATOM 0 HB THR A 95 4.670 -7.586 -4.234 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.827 -5.224 -3.662 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.127 -6.522 -2.630 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.626 -8.124 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.352 -6.653 -1.346 1.00 0.00 H new ATOM 1479 N THR A 96 8.311 -6.700 -3.121 1.00 0.00 N ATOM 1480 CA THR A 96 9.429 -5.877 -2.690 1.00 0.00 C ATOM 1481 C THR A 96 9.630 -4.703 -3.651 1.00 0.00 C ATOM 1482 O THR A 96 9.234 -4.774 -4.813 1.00 0.00 O ATOM 1483 CB THR A 96 10.659 -6.779 -2.567 1.00 0.00 C ATOM 1484 OG1 THR A 96 10.135 -8.022 -2.108 1.00 0.00 O ATOM 1485 CG2 THR A 96 11.600 -6.334 -1.446 1.00 0.00 C ATOM 0 H THR A 96 8.301 -6.918 -4.117 1.00 0.00 H new ATOM 0 HA THR A 96 9.237 -5.428 -1.715 1.00 0.00 H new ATOM 0 HB THR A 96 11.199 -6.787 -3.514 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.689 -7.890 -1.245 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.456 -7.007 -1.401 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.946 -5.319 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.069 -6.358 -0.494 1.00 0.00 H new ATOM 1493 N PHE A 97 10.242 -3.651 -3.129 1.00 0.00 N ATOM 1494 CA PHE A 97 10.499 -2.463 -3.927 1.00 0.00 C ATOM 1495 C PHE A 97 11.847 -1.839 -3.559 1.00 0.00 C ATOM 1496 O PHE A 97 12.089 -1.516 -2.397 1.00 0.00 O ATOM 1497 CB PHE A 97 9.383 -1.465 -3.612 1.00 0.00 C ATOM 1498 CG PHE A 97 8.683 -1.712 -2.275 1.00 0.00 C ATOM 1499 CD1 PHE A 97 7.807 -2.745 -2.148 1.00 0.00 C ATOM 1500 CD2 PHE A 97 8.938 -0.901 -1.214 1.00 0.00 C ATOM 1501 CE1 PHE A 97 7.158 -2.976 -0.906 1.00 0.00 C ATOM 1502 CE2 PHE A 97 8.288 -1.131 0.027 1.00 0.00 C ATOM 1503 CZ PHE A 97 7.411 -2.164 0.156 1.00 0.00 C ATOM 0 H PHE A 97 10.568 -3.596 -2.164 1.00 0.00 H new ATOM 0 HA PHE A 97 10.526 -2.722 -4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.800 -0.458 -3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 97 8.642 -1.502 -4.410 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.605 -3.389 -2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 97 9.635 -0.082 -1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.463 -3.797 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 97 8.490 -0.486 0.869 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.917 -2.339 1.100 1.00 0.00 H new ATOM 1513 N LYS A 98 12.687 -1.685 -4.571 1.00 0.00 N ATOM 1514 CA LYS A 98 14.003 -1.104 -4.371 1.00 0.00 C ATOM 1515 C LYS A 98 14.826 -2.018 -3.459 1.00 0.00 C ATOM 1516 O LYS A 98 15.660 -2.785 -3.934 1.00 0.00 O ATOM 1517 CB LYS A 98 13.882 0.332 -3.854 1.00 0.00 C ATOM 1518 CG LYS A 98 12.883 1.132 -4.691 1.00 0.00 C ATOM 1519 CD LYS A 98 11.523 1.211 -3.995 1.00 0.00 C ATOM 1520 CE LYS A 98 11.255 2.624 -3.474 1.00 0.00 C ATOM 1521 NZ LYS A 98 11.949 2.841 -2.185 1.00 0.00 N ATOM 0 H LYS A 98 12.481 -1.953 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 98 14.536 -1.034 -5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.563 0.322 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.858 0.817 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.268 2.138 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.768 0.666 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.737 0.921 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.492 0.502 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.595 3.358 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.183 2.774 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.401 3.506 -1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.040 1.935 -1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.895 3.235 -2.362 1.00 0.00 H new ATOM 1534 N ASN A 99 14.560 -1.904 -2.165 1.00 0.00 N ATOM 1535 CA ASN A 99 15.264 -2.710 -1.184 1.00 0.00 C ATOM 1536 C ASN A 99 14.463 -2.735 0.120 1.00 0.00 C ATOM 1537 O ASN A 99 15.031 -2.896 1.199 1.00 0.00 O ATOM 1538 CB ASN A 99 16.645 -2.124 -0.878 1.00 0.00 C ATOM 1539 CG ASN A 99 17.743 -3.168 -1.093 1.00 0.00 C ATOM 1540 OD1 ASN A 99 17.749 -4.232 -0.496 1.00 0.00 O ATOM 1541 ND2 ASN A 99 18.670 -2.805 -1.975 1.00 0.00 N ATOM 0 H ASN A 99 13.867 -1.266 -1.775 1.00 0.00 H new ATOM 0 HA ASN A 99 15.380 -3.713 -1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.828 -1.261 -1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 99 16.673 -1.768 0.152 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.446 -3.432 -2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 99 18.605 -1.899 -2.440 1.00 0.00 H new ATOM 1548 N ILE A 100 13.156 -2.574 -0.024 1.00 0.00 N ATOM 1549 CA ILE A 100 12.271 -2.576 1.128 1.00 0.00 C ATOM 1550 C ILE A 100 11.542 -3.919 1.203 1.00 0.00 C ATOM 1551 O ILE A 100 10.924 -4.350 0.230 1.00 0.00 O ATOM 1552 CB ILE A 100 11.332 -1.369 1.084 1.00 0.00 C ATOM 1553 CG1 ILE A 100 12.121 -0.059 1.121 1.00 0.00 C ATOM 1554 CG2 ILE A 100 10.291 -1.443 2.203 1.00 0.00 C ATOM 1555 CD1 ILE A 100 11.214 1.136 0.819 1.00 0.00 C ATOM 0 H ILE A 100 12.689 -2.441 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 100 12.844 -2.472 2.049 1.00 0.00 H new ATOM 0 HB ILE A 100 10.790 -1.392 0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.579 0.066 2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 100 12.932 -0.098 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.636 -0.573 2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.698 -2.351 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.796 -1.458 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.800 2.055 0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 100 10.777 1.019 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.419 1.186 1.563 1.00 0.00 H new ATOM 1567 N LYS A 101 11.638 -4.544 2.367 1.00 0.00 N ATOM 1568 CA LYS A 101 10.996 -5.830 2.582 1.00 0.00 C ATOM 1569 C LYS A 101 9.539 -5.605 2.991 1.00 0.00 C ATOM 1570 O LYS A 101 9.266 -4.925 3.979 1.00 0.00 O ATOM 1571 CB LYS A 101 11.794 -6.667 3.584 1.00 0.00 C ATOM 1572 CG LYS A 101 11.465 -6.262 5.022 1.00 0.00 C ATOM 1573 CD LYS A 101 12.630 -6.579 5.962 1.00 0.00 C ATOM 1574 CE LYS A 101 12.160 -6.636 7.416 1.00 0.00 C ATOM 1575 NZ LYS A 101 11.885 -8.033 7.819 1.00 0.00 N ATOM 0 H LYS A 101 12.151 -4.184 3.172 1.00 0.00 H new ATOM 0 HA LYS A 101 10.983 -6.409 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.570 -7.724 3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.861 -6.539 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.241 -5.196 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.570 -6.788 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.078 -7.533 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.405 -5.820 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.921 -6.207 8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.260 -6.033 7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.567 -8.053 8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.142 -8.431 7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.752 -8.599 7.723 1.00 0.00 H new ATOM 1588 N SER A 102 8.641 -6.190 2.211 1.00 0.00 N ATOM 1589 CA SER A 102 7.219 -6.062 2.480 1.00 0.00 C ATOM 1590 C SER A 102 6.601 -7.444 2.694 1.00 0.00 C ATOM 1591 O SER A 102 7.138 -8.448 2.227 1.00 0.00 O ATOM 1592 CB SER A 102 6.506 -5.332 1.339 1.00 0.00 C ATOM 1593 OG SER A 102 5.603 -4.341 1.821 1.00 0.00 O ATOM 0 H SER A 102 8.871 -6.754 1.393 1.00 0.00 H new ATOM 0 HA SER A 102 7.094 -5.471 3.387 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.246 -4.863 0.690 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.961 -6.054 0.731 1.00 0.00 H new ATOM 0 HG SER A 102 5.814 -4.132 2.755 1.00 0.00 H new ATOM 1599 N VAL A 103 5.480 -7.453 3.401 1.00 0.00 N ATOM 1600 CA VAL A 103 4.783 -8.697 3.683 1.00 0.00 C ATOM 1601 C VAL A 103 3.275 -8.439 3.695 1.00 0.00 C ATOM 1602 O VAL A 103 2.786 -7.626 4.477 1.00 0.00 O ATOM 1603 CB VAL A 103 5.296 -9.299 4.992 1.00 0.00 C ATOM 1604 CG1 VAL A 103 4.375 -10.421 5.478 1.00 0.00 C ATOM 1605 CG2 VAL A 103 6.735 -9.798 4.840 1.00 0.00 C ATOM 0 H VAL A 103 5.037 -6.619 3.787 1.00 0.00 H new ATOM 0 HA VAL A 103 4.982 -9.432 2.903 1.00 0.00 H new ATOM 0 HB VAL A 103 5.292 -8.512 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.763 -10.832 6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.374 -10.023 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.332 -11.208 4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.075 -10.221 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.775 -10.563 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.381 -8.966 4.562 1.00 0.00 H new ATOM 1615 N THR A 104 2.580 -9.147 2.816 1.00 0.00 N ATOM 1616 CA THR A 104 1.138 -9.005 2.715 1.00 0.00 C ATOM 1617 C THR A 104 0.438 -10.218 3.333 1.00 0.00 C ATOM 1618 O THR A 104 0.877 -11.353 3.148 1.00 0.00 O ATOM 1619 CB THR A 104 0.785 -8.786 1.243 1.00 0.00 C ATOM 1620 OG1 THR A 104 2.022 -8.408 0.643 1.00 0.00 O ATOM 1621 CG2 THR A 104 -0.118 -7.569 1.031 1.00 0.00 C ATOM 0 H THR A 104 2.989 -9.820 2.168 1.00 0.00 H new ATOM 0 HA THR A 104 0.786 -8.142 3.280 1.00 0.00 H new ATOM 0 HB THR A 104 0.292 -9.676 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.434 -9.191 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.338 -7.460 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.049 -7.706 1.582 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.388 -6.673 1.391 1.00 0.00 H new ATOM 1629 N GLU A 105 -0.638 -9.937 4.053 1.00 0.00 N ATOM 1630 CA GLU A 105 -1.403 -10.991 4.697 1.00 0.00 C ATOM 1631 C GLU A 105 -2.892 -10.640 4.703 1.00 0.00 C ATOM 1632 O GLU A 105 -3.271 -9.531 5.077 1.00 0.00 O ATOM 1633 CB GLU A 105 -0.895 -11.245 6.118 1.00 0.00 C ATOM 1634 CG GLU A 105 -1.042 -12.720 6.497 1.00 0.00 C ATOM 1635 CD GLU A 105 -0.989 -12.904 8.015 1.00 0.00 C ATOM 1636 OE1 GLU A 105 0.054 -12.646 8.634 1.00 0.00 O ATOM 1637 OE2 GLU A 105 -2.082 -13.331 8.551 1.00 0.00 O ATOM 0 H GLU A 105 -0.998 -8.995 4.205 1.00 0.00 H new ATOM 0 HA GLU A 105 -1.269 -11.910 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.151 -10.949 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.452 -10.627 6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -1.987 -13.105 6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.247 -13.300 6.029 1.00 0.00 H new ATOM 1645 N LEU A 106 -3.696 -11.605 4.281 1.00 0.00 N ATOM 1646 CA LEU A 106 -5.135 -11.411 4.233 1.00 0.00 C ATOM 1647 C LEU A 106 -5.771 -12.023 5.483 1.00 0.00 C ATOM 1648 O LEU A 106 -5.642 -13.222 5.726 1.00 0.00 O ATOM 1649 CB LEU A 106 -5.705 -11.959 2.922 1.00 0.00 C ATOM 1650 CG LEU A 106 -6.783 -11.105 2.251 1.00 0.00 C ATOM 1651 CD1 LEU A 106 -8.007 -10.955 3.155 1.00 0.00 C ATOM 1652 CD2 LEU A 106 -6.219 -9.749 1.822 1.00 0.00 C ATOM 0 H LEU A 106 -3.378 -12.523 3.969 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.377 -10.348 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.883 -12.090 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.121 -12.948 3.115 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.112 -11.619 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.757 -10.344 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.424 -11.939 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.713 -10.475 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.005 -9.161 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.846 -9.217 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.403 -9.901 1.115 1.00 0.00 H new ATOM 1664 N ASN A 107 -6.444 -11.170 6.243 1.00 0.00 N ATOM 1665 CA ASN A 107 -7.099 -11.612 7.462 1.00 0.00 C ATOM 1666 C ASN A 107 -8.477 -10.953 7.563 1.00 0.00 C ATOM 1667 O ASN A 107 -8.576 -9.748 7.790 1.00 0.00 O ATOM 1668 CB ASN A 107 -6.292 -11.212 8.698 1.00 0.00 C ATOM 1669 CG ASN A 107 -6.344 -12.306 9.766 1.00 0.00 C ATOM 1670 OD1 ASN A 107 -5.648 -13.306 9.702 1.00 0.00 O ATOM 1671 ND2 ASN A 107 -7.207 -12.061 10.748 1.00 0.00 N ATOM 0 H ASN A 107 -6.549 -10.176 6.038 1.00 0.00 H new ATOM 0 HA ASN A 107 -7.184 -12.698 7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.256 -11.024 8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.684 -10.281 9.107 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -7.317 -12.731 11.509 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.759 -11.203 10.740 1.00 0.00 H new ATOM 1678 N GLY A 108 -9.503 -11.771 7.390 1.00 0.00 N ATOM 1679 CA GLY A 108 -10.870 -11.283 7.458 1.00 0.00 C ATOM 1680 C GLY A 108 -11.061 -10.061 6.558 1.00 0.00 C ATOM 1681 O GLY A 108 -10.751 -10.107 5.368 1.00 0.00 O ATOM 0 H GLY A 108 -9.416 -12.770 7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.557 -12.073 7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.116 -11.023 8.487 1.00 0.00 H new ATOM 1685 N ASP A 109 -11.570 -8.996 7.160 1.00 0.00 N ATOM 1686 CA ASP A 109 -11.806 -7.763 6.427 1.00 0.00 C ATOM 1687 C ASP A 109 -10.727 -6.743 6.793 1.00 0.00 C ATOM 1688 O ASP A 109 -10.935 -5.538 6.657 1.00 0.00 O ATOM 1689 CB ASP A 109 -13.166 -7.162 6.785 1.00 0.00 C ATOM 1690 CG ASP A 109 -13.563 -7.288 8.257 1.00 0.00 C ATOM 1691 OD1 ASP A 109 -13.952 -8.369 8.723 1.00 0.00 O ATOM 1692 OD2 ASP A 109 -13.457 -6.202 8.945 1.00 0.00 O ATOM 0 H ASP A 109 -11.826 -8.961 8.147 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.783 -7.994 5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.162 -6.106 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.931 -7.644 6.176 1.00 0.00 H new ATOM 1698 N ILE A 110 -9.597 -7.262 7.249 1.00 0.00 N ATOM 1699 CA ILE A 110 -8.484 -6.410 7.636 1.00 0.00 C ATOM 1700 C ILE A 110 -7.246 -6.796 6.824 1.00 0.00 C ATOM 1701 O ILE A 110 -7.049 -7.968 6.505 1.00 0.00 O ATOM 1702 CB ILE A 110 -8.269 -6.465 9.150 1.00 0.00 C ATOM 1703 CG1 ILE A 110 -9.531 -6.034 9.900 1.00 0.00 C ATOM 1704 CG2 ILE A 110 -7.048 -5.641 9.560 1.00 0.00 C ATOM 1705 CD1 ILE A 110 -9.877 -7.029 11.009 1.00 0.00 C ATOM 0 H ILE A 110 -9.427 -8.262 7.359 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.704 -5.367 7.406 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.068 -7.499 9.429 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.383 -5.043 10.329 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.365 -5.958 9.202 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.918 -5.697 10.641 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.160 -6.036 9.066 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.195 -4.602 9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.778 -6.699 11.526 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.049 -8.014 10.574 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.051 -7.085 11.718 1.00 0.00 H new ATOM 1717 N ILE A 111 -6.445 -5.788 6.512 1.00 0.00 N ATOM 1718 CA ILE A 111 -5.231 -6.007 5.744 1.00 0.00 C ATOM 1719 C ILE A 111 -4.069 -5.270 6.412 1.00 0.00 C ATOM 1720 O ILE A 111 -4.177 -4.084 6.720 1.00 0.00 O ATOM 1721 CB ILE A 111 -5.447 -5.616 4.280 1.00 0.00 C ATOM 1722 CG1 ILE A 111 -4.198 -5.905 3.445 1.00 0.00 C ATOM 1723 CG2 ILE A 111 -5.889 -4.156 4.161 1.00 0.00 C ATOM 1724 CD1 ILE A 111 -4.545 -6.018 1.960 1.00 0.00 C ATOM 0 H ILE A 111 -6.613 -4.817 6.777 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.972 -7.066 5.734 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.253 -6.231 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.466 -5.110 3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.735 -6.831 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.035 -3.905 3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -6.825 -4.014 4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.122 -3.508 4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.639 -6.224 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.258 -6.829 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.985 -5.082 1.617 1.00 0.00 H new ATOM 1736 N THR A 112 -2.985 -6.004 6.618 1.00 0.00 N ATOM 1737 CA THR A 112 -1.804 -5.434 7.244 1.00 0.00 C ATOM 1738 C THR A 112 -0.647 -5.373 6.245 1.00 0.00 C ATOM 1739 O THR A 112 -0.392 -6.338 5.525 1.00 0.00 O ATOM 1740 CB THR A 112 -1.486 -6.262 8.491 1.00 0.00 C ATOM 1741 OG1 THR A 112 -2.467 -5.851 9.439 1.00 0.00 O ATOM 1742 CG2 THR A 112 -0.157 -5.863 9.135 1.00 0.00 C ATOM 0 H THR A 112 -2.900 -6.988 6.363 1.00 0.00 H new ATOM 0 HA THR A 112 -1.979 -4.404 7.554 1.00 0.00 H new ATOM 0 HB THR A 112 -1.459 -7.319 8.228 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.336 -6.340 10.278 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.021 -6.481 10.015 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.652 -6.009 8.420 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.196 -4.814 9.430 1.00 0.00 H new ATOM 1750 N ASN A 113 0.022 -4.230 6.232 1.00 0.00 N ATOM 1751 CA ASN A 113 1.145 -4.030 5.333 1.00 0.00 C ATOM 1752 C ASN A 113 2.396 -3.703 6.152 1.00 0.00 C ATOM 1753 O ASN A 113 2.366 -2.829 7.016 1.00 0.00 O ATOM 1754 CB ASN A 113 0.886 -2.862 4.379 1.00 0.00 C ATOM 1755 CG ASN A 113 1.373 -3.190 2.966 1.00 0.00 C ATOM 1756 OD1 ASN A 113 2.161 -4.095 2.748 1.00 0.00 O ATOM 1757 ND2 ASN A 113 0.861 -2.405 2.022 1.00 0.00 N ATOM 0 H ASN A 113 -0.192 -3.432 6.830 1.00 0.00 H new ATOM 0 HA ASN A 113 1.281 -4.944 4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -0.180 -2.635 4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.394 -1.970 4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.124 -2.543 1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.206 -1.665 2.274 1.00 0.00 H new ATOM 1764 N THR A 114 3.467 -4.424 5.850 1.00 0.00 N ATOM 1765 CA THR A 114 4.725 -4.221 6.547 1.00 0.00 C ATOM 1766 C THR A 114 5.666 -3.353 5.708 1.00 0.00 C ATOM 1767 O THR A 114 5.935 -3.664 4.549 1.00 0.00 O ATOM 1768 CB THR A 114 5.305 -5.597 6.883 1.00 0.00 C ATOM 1769 OG1 THR A 114 5.203 -6.325 5.662 1.00 0.00 O ATOM 1770 CG2 THR A 114 4.426 -6.381 7.859 1.00 0.00 C ATOM 0 H THR A 114 3.489 -5.149 5.133 1.00 0.00 H new ATOM 0 HA THR A 114 4.578 -3.677 7.480 1.00 0.00 H new ATOM 0 HB THR A 114 6.301 -5.476 7.309 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.323 -6.753 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.883 -7.349 8.063 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.328 -5.822 8.790 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.440 -6.531 7.420 1.00 0.00 H new ATOM 1778 N MET A 115 6.139 -2.282 6.327 1.00 0.00 N ATOM 1779 CA MET A 115 7.044 -1.367 5.653 1.00 0.00 C ATOM 1780 C MET A 115 8.063 -0.782 6.632 1.00 0.00 C ATOM 1781 O MET A 115 7.689 -0.200 7.649 1.00 0.00 O ATOM 1782 CB MET A 115 6.240 -0.233 5.014 1.00 0.00 C ATOM 1783 CG MET A 115 5.680 -0.656 3.655 1.00 0.00 C ATOM 1784 SD MET A 115 4.402 0.479 3.141 1.00 0.00 S ATOM 1785 CE MET A 115 4.845 0.689 1.424 1.00 0.00 C ATOM 0 H MET A 115 5.913 -2.027 7.288 1.00 0.00 H new ATOM 0 HA MET A 115 7.584 -1.920 4.884 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.422 0.055 5.675 1.00 0.00 H new ATOM 0 HB3 MET A 115 6.875 0.644 4.892 1.00 0.00 H new ATOM 0 HG2 MET A 115 6.479 -0.677 2.914 1.00 0.00 H new ATOM 0 HG3 MET A 115 5.277 -1.667 3.717 1.00 0.00 H new ATOM 0 HE1 MET A 115 4.143 1.374 0.948 1.00 0.00 H new ATOM 0 HE2 MET A 115 5.853 1.097 1.356 1.00 0.00 H new ATOM 0 HE3 MET A 115 4.809 -0.276 0.918 1.00 0.00 H new ATOM 1795 N THR A 116 9.332 -0.957 6.292 1.00 0.00 N ATOM 1796 CA THR A 116 10.408 -0.453 7.129 1.00 0.00 C ATOM 1797 C THR A 116 11.132 0.699 6.430 1.00 0.00 C ATOM 1798 O THR A 116 11.718 0.514 5.364 1.00 0.00 O ATOM 1799 CB THR A 116 11.326 -1.627 7.475 1.00 0.00 C ATOM 1800 OG1 THR A 116 12.128 -1.136 8.547 1.00 0.00 O ATOM 1801 CG2 THR A 116 12.333 -1.930 6.364 1.00 0.00 C ATOM 0 H THR A 116 9.639 -1.441 5.448 1.00 0.00 H new ATOM 0 HA THR A 116 10.024 -0.036 8.060 1.00 0.00 H new ATOM 0 HB THR A 116 10.723 -2.514 7.670 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.752 -1.835 8.835 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.960 -2.771 6.660 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.799 -2.181 5.447 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.959 -1.054 6.191 1.00 0.00 H new ATOM 1809 N LEU A 117 11.069 1.864 7.058 1.00 0.00 N ATOM 1810 CA LEU A 117 11.711 3.046 6.511 1.00 0.00 C ATOM 1811 C LEU A 117 12.297 3.878 7.653 1.00 0.00 C ATOM 1812 O LEU A 117 11.559 4.406 8.484 1.00 0.00 O ATOM 1813 CB LEU A 117 10.737 3.822 5.622 1.00 0.00 C ATOM 1814 CG LEU A 117 11.322 4.401 4.332 1.00 0.00 C ATOM 1815 CD1 LEU A 117 12.141 5.660 4.618 1.00 0.00 C ATOM 1816 CD2 LEU A 117 12.135 3.347 3.577 1.00 0.00 C ATOM 0 H LEU A 117 10.582 2.014 7.942 1.00 0.00 H new ATOM 0 HA LEU A 117 12.541 2.763 5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 117 9.911 3.161 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.316 4.640 6.206 1.00 0.00 H new ATOM 0 HG LEU A 117 10.496 4.695 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.545 6.051 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.502 6.413 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.960 5.415 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.539 3.785 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 117 12.954 2.999 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 117 11.491 2.505 3.322 1.00 0.00 H new ATOM 1828 N GLY A 118 13.619 3.971 7.658 1.00 0.00 N ATOM 1829 CA GLY A 118 14.313 4.729 8.684 1.00 0.00 C ATOM 1830 C GLY A 118 14.460 3.909 9.968 1.00 0.00 C ATOM 1831 O GLY A 118 14.550 4.468 11.060 1.00 0.00 O ATOM 0 H GLY A 118 14.228 3.533 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 118 15.298 5.022 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 118 13.765 5.647 8.896 1.00 0.00 H new ATOM 1835 N ASP A 119 14.481 2.595 9.792 1.00 0.00 N ATOM 1836 CA ASP A 119 14.616 1.692 10.923 1.00 0.00 C ATOM 1837 C ASP A 119 13.292 1.637 11.687 1.00 0.00 C ATOM 1838 O ASP A 119 13.222 1.064 12.774 1.00 0.00 O ATOM 1839 CB ASP A 119 15.699 2.177 11.889 1.00 0.00 C ATOM 1840 CG ASP A 119 16.663 1.093 12.376 1.00 0.00 C ATOM 1841 OD1 ASP A 119 16.352 -0.106 12.329 1.00 0.00 O ATOM 1842 OD2 ASP A 119 17.790 1.528 12.826 1.00 0.00 O ATOM 0 H ASP A 119 14.407 2.135 8.885 1.00 0.00 H new ATOM 0 HA ASP A 119 14.889 0.709 10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.276 2.962 11.400 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.216 2.629 12.756 1.00 0.00 H new ATOM 1848 N ILE A 120 12.274 2.241 11.090 1.00 0.00 N ATOM 1849 CA ILE A 120 10.957 2.267 11.702 1.00 0.00 C ATOM 1850 C ILE A 120 9.979 1.475 10.830 1.00 0.00 C ATOM 1851 O ILE A 120 9.788 1.795 9.658 1.00 0.00 O ATOM 1852 CB ILE A 120 10.517 3.708 11.964 1.00 0.00 C ATOM 1853 CG1 ILE A 120 11.351 4.342 13.079 1.00 0.00 C ATOM 1854 CG2 ILE A 120 9.018 3.780 12.259 1.00 0.00 C ATOM 1855 CD1 ILE A 120 11.450 5.857 12.897 1.00 0.00 C ATOM 0 H ILE A 120 12.335 2.716 10.189 1.00 0.00 H new ATOM 0 HA ILE A 120 10.981 1.782 12.678 1.00 0.00 H new ATOM 0 HB ILE A 120 10.695 4.288 11.059 1.00 0.00 H new ATOM 0 HG12 ILE A 120 10.902 4.117 14.046 1.00 0.00 H new ATOM 0 HG13 ILE A 120 12.350 3.907 13.083 1.00 0.00 H new ATOM 0 HG21 ILE A 120 8.732 4.816 12.442 1.00 0.00 H new ATOM 0 HG22 ILE A 120 8.460 3.395 11.405 1.00 0.00 H new ATOM 0 HG23 ILE A 120 8.791 3.181 13.141 1.00 0.00 H new ATOM 0 HD11 ILE A 120 12.048 6.282 13.703 1.00 0.00 H new ATOM 0 HD12 ILE A 120 11.922 6.078 11.940 1.00 0.00 H new ATOM 0 HD13 ILE A 120 10.451 6.292 12.918 1.00 0.00 H new ATOM 1867 N VAL A 121 9.387 0.458 11.437 1.00 0.00 N ATOM 1868 CA VAL A 121 8.434 -0.383 10.731 1.00 0.00 C ATOM 1869 C VAL A 121 7.013 0.031 11.117 1.00 0.00 C ATOM 1870 O VAL A 121 6.650 -0.004 12.292 1.00 0.00 O ATOM 1871 CB VAL A 121 8.726 -1.857 11.016 1.00 0.00 C ATOM 1872 CG1 VAL A 121 8.269 -2.245 12.424 1.00 0.00 C ATOM 1873 CG2 VAL A 121 8.078 -2.758 9.962 1.00 0.00 C ATOM 0 H VAL A 121 9.548 0.197 12.410 1.00 0.00 H new ATOM 0 HA VAL A 121 8.530 -0.249 9.654 1.00 0.00 H new ATOM 0 HB VAL A 121 9.805 -2.001 10.963 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.488 -3.298 12.600 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.797 -1.636 13.158 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.196 -2.077 12.517 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.301 -3.801 10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.998 -2.608 9.969 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.473 -2.508 8.977 1.00 0.00 H new ATOM 1883 N PHE A 122 6.247 0.414 10.106 1.00 0.00 N ATOM 1884 CA PHE A 122 4.873 0.834 10.325 1.00 0.00 C ATOM 1885 C PHE A 122 3.890 -0.168 9.716 1.00 0.00 C ATOM 1886 O PHE A 122 4.204 -0.831 8.728 1.00 0.00 O ATOM 1887 CB PHE A 122 4.702 2.184 9.627 1.00 0.00 C ATOM 1888 CG PHE A 122 3.249 2.538 9.302 1.00 0.00 C ATOM 1889 CD1 PHE A 122 2.674 2.066 8.164 1.00 0.00 C ATOM 1890 CD2 PHE A 122 2.534 3.323 10.151 1.00 0.00 C ATOM 1891 CE1 PHE A 122 1.326 2.393 7.861 1.00 0.00 C ATOM 1892 CE2 PHE A 122 1.186 3.650 9.848 1.00 0.00 C ATOM 1893 CZ PHE A 122 0.610 3.178 8.710 1.00 0.00 C ATOM 0 H PHE A 122 6.552 0.442 9.133 1.00 0.00 H new ATOM 0 HA PHE A 122 4.670 0.899 11.394 1.00 0.00 H new ATOM 0 HB2 PHE A 122 5.122 2.965 10.261 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.279 2.179 8.702 1.00 0.00 H new ATOM 0 HD1 PHE A 122 3.243 1.442 7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 122 2.991 3.698 11.055 1.00 0.00 H new ATOM 0 HE1 PHE A 122 0.869 2.019 6.957 1.00 0.00 H new ATOM 0 HE2 PHE A 122 0.618 4.274 10.522 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.416 3.426 8.481 1.00 0.00 H new ATOM 1903 N LYS A 123 2.719 -0.248 10.331 1.00 0.00 N ATOM 1904 CA LYS A 123 1.688 -1.158 9.862 1.00 0.00 C ATOM 1905 C LYS A 123 0.377 -0.390 9.687 1.00 0.00 C ATOM 1906 O LYS A 123 0.139 0.603 10.373 1.00 0.00 O ATOM 1907 CB LYS A 123 1.574 -2.366 10.796 1.00 0.00 C ATOM 1908 CG LYS A 123 2.493 -3.500 10.340 1.00 0.00 C ATOM 1909 CD LYS A 123 3.896 -3.341 10.928 1.00 0.00 C ATOM 1910 CE LYS A 123 4.136 -4.347 12.054 1.00 0.00 C ATOM 1911 NZ LYS A 123 5.539 -4.278 12.521 1.00 0.00 N ATOM 0 H LYS A 123 2.461 0.303 11.150 1.00 0.00 H new ATOM 0 HA LYS A 123 1.953 -1.563 8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 123 1.833 -2.070 11.813 1.00 0.00 H new ATOM 0 HB3 LYS A 123 0.542 -2.716 10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.073 -4.458 10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.550 -3.511 9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 123 4.641 -3.482 10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 123 4.022 -2.327 11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 123 3.460 -4.141 12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 123 3.912 -5.355 11.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 5.777 -5.150 13.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 6.173 -4.174 11.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 5.654 -3.461 13.154 1.00 0.00 H new ATOM 1924 N ARG A 124 -0.440 -0.879 8.765 1.00 0.00 N ATOM 1925 CA ARG A 124 -1.721 -0.250 8.491 1.00 0.00 C ATOM 1926 C ARG A 124 -2.864 -1.221 8.796 1.00 0.00 C ATOM 1927 O ARG A 124 -2.863 -2.355 8.320 1.00 0.00 O ATOM 1928 CB ARG A 124 -1.815 0.195 7.031 1.00 0.00 C ATOM 1929 CG ARG A 124 -2.804 1.351 6.874 1.00 0.00 C ATOM 1930 CD ARG A 124 -3.601 1.218 5.574 1.00 0.00 C ATOM 1931 NE ARG A 124 -3.503 2.470 4.790 1.00 0.00 N ATOM 1932 CZ ARG A 124 -2.375 2.896 4.182 1.00 0.00 C ATOM 1933 NH1 ARG A 124 -1.238 2.173 4.264 1.00 0.00 N ATOM 1934 NH2 ARG A 124 -2.401 4.030 3.507 1.00 0.00 N ATOM 0 H ARG A 124 -0.240 -1.703 8.199 1.00 0.00 H new ATOM 0 HA ARG A 124 -1.804 0.628 9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -0.831 0.503 6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.129 -0.644 6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.487 1.368 7.723 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -2.265 2.299 6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.220 0.382 4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.645 1.001 5.799 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.340 3.047 4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -1.227 1.298 4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -0.390 2.502 3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -3.264 4.570 3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -1.558 4.366 3.042 1.00 0.00 H new ATOM 1947 N ILE A 125 -3.811 -0.739 9.588 1.00 0.00 N ATOM 1948 CA ILE A 125 -4.958 -1.550 9.960 1.00 0.00 C ATOM 1949 C ILE A 125 -6.238 -0.875 9.465 1.00 0.00 C ATOM 1950 O ILE A 125 -6.395 0.338 9.598 1.00 0.00 O ATOM 1951 CB ILE A 125 -4.952 -1.826 11.465 1.00 0.00 C ATOM 1952 CG1 ILE A 125 -3.699 -2.604 11.874 1.00 0.00 C ATOM 1953 CG2 ILE A 125 -6.234 -2.540 11.897 1.00 0.00 C ATOM 1954 CD1 ILE A 125 -2.536 -1.653 12.166 1.00 0.00 C ATOM 0 H ILE A 125 -3.807 0.202 9.982 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.906 -2.526 9.478 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.924 -0.870 11.987 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.912 -3.206 12.757 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.419 -3.294 11.078 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.204 -2.724 12.971 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.096 -1.916 11.660 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.317 -3.490 11.368 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.658 -2.230 12.454 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.310 -1.070 11.273 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.811 -0.981 12.979 1.00 0.00 H new ATOM 1966 N SER A 126 -7.120 -1.689 8.904 1.00 0.00 N ATOM 1967 CA SER A 126 -8.382 -1.185 8.388 1.00 0.00 C ATOM 1968 C SER A 126 -9.490 -2.213 8.621 1.00 0.00 C ATOM 1969 O SER A 126 -9.222 -3.410 8.714 1.00 0.00 O ATOM 1970 CB SER A 126 -8.273 -0.849 6.899 1.00 0.00 C ATOM 1971 OG SER A 126 -6.987 -0.339 6.560 1.00 0.00 O ATOM 0 H SER A 126 -6.986 -2.694 8.795 1.00 0.00 H new ATOM 0 HA SER A 126 -8.629 -0.268 8.922 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.475 -1.743 6.310 1.00 0.00 H new ATOM 0 HB3 SER A 126 -9.035 -0.115 6.636 1.00 0.00 H new ATOM 0 HG SER A 126 -6.957 -0.138 5.601 1.00 0.00 H new ATOM 1977 N LYS A 127 -10.713 -1.709 8.707 1.00 0.00 N ATOM 1978 CA LYS A 127 -11.863 -2.568 8.928 1.00 0.00 C ATOM 1979 C LYS A 127 -12.854 -2.393 7.776 1.00 0.00 C ATOM 1980 O LYS A 127 -12.738 -1.452 6.991 1.00 0.00 O ATOM 1981 CB LYS A 127 -12.471 -2.307 10.307 1.00 0.00 C ATOM 1982 CG LYS A 127 -13.238 -3.532 10.810 1.00 0.00 C ATOM 1983 CD LYS A 127 -14.743 -3.262 10.844 1.00 0.00 C ATOM 1984 CE LYS A 127 -15.407 -4.004 12.005 1.00 0.00 C ATOM 1985 NZ LYS A 127 -16.443 -3.158 12.637 1.00 0.00 N ATOM 0 H LYS A 127 -10.932 -0.716 8.627 1.00 0.00 H new ATOM 0 HA LYS A 127 -11.560 -3.615 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -11.681 -2.053 11.014 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -13.142 -1.449 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.033 -4.385 10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.890 -3.798 11.808 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.922 -2.191 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -15.194 -3.575 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -15.856 -4.929 11.644 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -14.655 -4.282 12.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.883 -3.677 13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -16.006 -2.287 12.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -17.169 -2.914 11.933 1.00 0.00 H new ATOM 1998 N ARG A 128 -13.805 -3.313 7.709 1.00 0.00 N ATOM 1999 CA ARG A 128 -14.816 -3.271 6.666 1.00 0.00 C ATOM 2000 C ARG A 128 -15.686 -2.022 6.818 1.00 0.00 C ATOM 2001 O ARG A 128 -16.605 -1.997 7.635 1.00 0.00 O ATOM 2002 CB ARG A 128 -15.706 -4.513 6.712 1.00 0.00 C ATOM 2003 CG ARG A 128 -16.039 -5.003 5.301 1.00 0.00 C ATOM 2004 CD ARG A 128 -16.822 -6.316 5.347 1.00 0.00 C ATOM 2005 NE ARG A 128 -16.253 -7.279 4.377 1.00 0.00 N ATOM 2006 CZ ARG A 128 -16.582 -8.586 4.326 1.00 0.00 C ATOM 2007 NH1 ARG A 128 -17.481 -9.101 5.192 1.00 0.00 N ATOM 2008 NH2 ARG A 128 -16.011 -9.355 3.418 1.00 0.00 N ATOM 0 H ARG A 128 -13.897 -4.092 8.360 1.00 0.00 H new ATOM 0 HA ARG A 128 -14.300 -3.243 5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -15.202 -5.305 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -16.627 -4.285 7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -16.623 -4.246 4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -15.119 -5.144 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -16.786 -6.736 6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -17.871 -6.132 5.116 1.00 0.00 H new ATOM 0 HE ARG A 128 -15.569 -6.932 3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -17.917 -8.500 5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -17.724 -10.091 5.146 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -15.332 -8.959 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -16.249 -10.346 3.366 1.00 0.00 H new ATOM 2021 N ILE A 129 -15.365 -1.014 6.020 1.00 0.00 N ATOM 2022 CA ILE A 129 -16.105 0.235 6.056 1.00 0.00 C ATOM 2023 C ILE A 129 -16.430 0.588 7.508 1.00 0.00 C ATOM 2024 O ILE A 129 -15.718 1.371 8.135 1.00 0.00 O ATOM 2025 CB ILE A 129 -17.336 0.154 5.152 1.00 0.00 C ATOM 2026 CG1 ILE A 129 -16.948 -0.257 3.730 1.00 0.00 C ATOM 2027 CG2 ILE A 129 -18.121 1.468 5.174 1.00 0.00 C ATOM 2028 CD1 ILE A 129 -16.607 0.968 2.879 1.00 0.00 C ATOM 0 H ILE A 129 -14.601 -1.038 5.344 1.00 0.00 H new ATOM 0 HA ILE A 129 -15.499 1.049 5.658 1.00 0.00 H new ATOM 0 HB ILE A 129 -17.994 -0.622 5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -16.092 -0.931 3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -17.769 -0.807 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -18.991 1.383 4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -18.449 1.679 6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -17.483 2.279 4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -16.335 0.648 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -17.473 1.628 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -15.770 1.502 3.329 1.00 0.00 H new