USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 744 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 78 ASN : amide:sc= -2.09! K(o=-0.96!,f=1.2) USER MOD Set 1.2: A 82 THR OG1 : rot -74:sc= 1.13 USER MOD Single : A 25 TYR OH : rot -139:sc= 0.0759 USER MOD Single : A 26 CYS SG : rot -70:sc= 0.769 USER MOD Single : A 28 GLN : amide:sc= -1.44! K(o=-1.4!,f=0.74) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 103:sc= 1.34 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -140:sc= 0.569 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0386 (180deg=-0.218) USER MOD Single : A 45 SER OG : rot -81:sc= 0.0411 USER MOD Single : A 48 SER OG : rot 46:sc= 0.0211 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 52:sc= 0.00797 USER MOD Single : A 57 SER OG : rot -107:sc= -2.64! USER MOD Single : A 64 ASN : amide:sc= -0.077 K(o=-0.077,f=-0.71) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.84! K(o=-1.8!,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 98:sc= 1.73 USER MOD Single : A 90 HIS : no HE2:sc= 0.327 K(o=0.33,f=-2.2!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 169:sc= -0.0132 (180deg=-0.177) USER MOD Single : A 100 SER OG : rot 54:sc= -0.0412 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 128:sc= 1.16 USER MOD Single : A 107 SER OG : rot -106:sc= 0.606 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 1.18 K(o=1.2,f=-0.21) USER MOD Single : A 114 THR OG1 : rot -21:sc= -1.22 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 139:sc= 1.16 (180deg=0.981) USER MOD ----------------------------------------------------------------- ATOM 75 N TYR A 25 6.801 5.975 4.875 1.00 0.00 N ATOM 76 CA TYR A 25 6.646 4.517 5.083 1.00 0.00 C ATOM 77 C TYR A 25 5.250 4.150 5.566 1.00 0.00 C ATOM 78 O TYR A 25 5.077 3.240 6.380 1.00 0.00 O ATOM 79 CB TYR A 25 7.728 3.954 6.041 1.00 0.00 C ATOM 80 CG TYR A 25 9.113 3.879 5.444 1.00 0.00 C ATOM 81 CD1 TYR A 25 9.779 5.021 5.030 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.753 2.659 5.298 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.036 4.957 4.492 1.00 0.00 C ATOM 84 CE2 TYR A 25 11.013 2.575 4.754 1.00 0.00 C ATOM 85 CZ TYR A 25 11.657 3.729 4.350 1.00 0.00 C ATOM 86 OH TYR A 25 12.935 3.663 3.831 1.00 0.00 O ATOM 0 HA TYR A 25 6.787 4.050 4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.764 4.577 6.935 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.429 2.956 6.360 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.296 5.982 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.253 1.757 5.618 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.540 5.860 4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.495 1.615 4.643 1.00 0.00 H new ATOM 0 HH TYR A 25 13.001 2.899 3.221 1.00 0.00 H new ATOM 96 N CYS A 26 4.262 4.812 5.027 1.00 0.00 N ATOM 97 CA CYS A 26 2.898 4.539 5.398 1.00 0.00 C ATOM 98 C CYS A 26 2.093 4.207 4.161 1.00 0.00 C ATOM 99 O CYS A 26 2.359 4.741 3.085 1.00 0.00 O ATOM 100 CB CYS A 26 2.279 5.774 6.043 1.00 0.00 C ATOM 101 SG CYS A 26 3.247 6.504 7.392 1.00 0.00 S ATOM 0 H CYS A 26 4.375 5.546 4.328 1.00 0.00 H new ATOM 0 HA CYS A 26 2.888 3.703 6.097 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.130 6.531 5.273 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.293 5.510 6.426 1.00 0.00 H new ATOM 0 HG CYS A 26 3.223 5.711 8.422 1.00 0.00 H new ATOM 106 N LEU A 27 1.148 3.327 4.308 1.00 0.00 N ATOM 107 CA LEU A 27 0.206 3.022 3.266 1.00 0.00 C ATOM 108 C LEU A 27 -1.046 3.778 3.593 1.00 0.00 C ATOM 109 O LEU A 27 -1.640 3.556 4.651 1.00 0.00 O ATOM 110 CB LEU A 27 -0.076 1.515 3.223 1.00 0.00 C ATOM 111 CG LEU A 27 -1.091 1.007 2.201 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.699 1.369 0.789 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.229 -0.471 2.321 1.00 0.00 C ATOM 0 H LEU A 27 1.005 2.792 5.165 1.00 0.00 H new ATOM 0 HA LEU A 27 0.595 3.306 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.869 1.003 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.416 1.210 4.213 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.045 1.489 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.448 0.989 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.635 2.453 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.270 0.927 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.954 -0.829 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.264 -0.943 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.570 -0.724 3.325 1.00 0.00 H new ATOM 125 N GLN A 28 -1.424 4.703 2.754 1.00 0.00 N ATOM 126 CA GLN A 28 -2.588 5.485 3.049 1.00 0.00 C ATOM 127 C GLN A 28 -3.673 5.127 2.100 1.00 0.00 C ATOM 128 O GLN A 28 -3.501 5.183 0.866 1.00 0.00 O ATOM 129 CB GLN A 28 -2.270 6.960 2.922 1.00 0.00 C ATOM 130 CG GLN A 28 -1.129 7.395 3.804 1.00 0.00 C ATOM 131 CD GLN A 28 -0.618 8.773 3.438 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.039 9.780 3.980 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.264 8.824 2.474 1.00 0.00 N ATOM 0 H GLN A 28 -0.953 4.929 1.878 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.909 5.279 4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.026 7.185 1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.158 7.540 3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.455 7.394 4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.315 6.674 3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.596 7.962 2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.620 9.725 2.155 1.00 0.00 H new ATOM 142 N LEU A 29 -4.766 4.750 2.649 1.00 0.00 N ATOM 143 CA LEU A 29 -5.909 4.441 1.886 1.00 0.00 C ATOM 144 C LEU A 29 -6.927 5.510 2.115 1.00 0.00 C ATOM 145 O LEU A 29 -7.178 5.876 3.259 1.00 0.00 O ATOM 146 CB LEU A 29 -6.441 3.054 2.219 1.00 0.00 C ATOM 147 CG LEU A 29 -5.414 1.912 2.087 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.821 1.501 3.426 1.00 0.00 C ATOM 149 CD2 LEU A 29 -5.990 0.733 1.382 1.00 0.00 C ATOM 0 H LEU A 29 -4.891 4.647 3.656 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.655 4.413 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.822 3.063 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.286 2.839 1.565 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.598 2.307 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.104 0.694 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.316 2.355 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.617 1.160 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.236 -0.051 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.849 0.359 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.307 1.027 0.381 1.00 0.00 H new ATOM 161 N TYR A 30 -7.481 6.025 1.066 1.00 0.00 N ATOM 162 CA TYR A 30 -8.415 7.118 1.162 1.00 0.00 C ATOM 163 C TYR A 30 -9.814 6.616 1.109 1.00 0.00 C ATOM 164 O TYR A 30 -10.076 5.548 0.545 1.00 0.00 O ATOM 165 CB TYR A 30 -8.175 8.128 0.058 1.00 0.00 C ATOM 166 CG TYR A 30 -6.817 8.765 0.136 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.620 9.925 0.864 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.726 8.193 -0.502 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.366 10.503 0.952 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.478 8.759 -0.421 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.299 9.913 0.306 1.00 0.00 C ATOM 172 OH TYR A 30 -3.048 10.484 0.377 1.00 0.00 O ATOM 0 H TYR A 30 -7.304 5.705 0.114 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.260 7.614 2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.285 7.636 -0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.939 8.904 0.110 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.456 10.385 1.370 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.861 7.286 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.223 11.409 1.522 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.641 8.300 -0.926 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.411 9.941 -0.133 1.00 0.00 H new ATOM 182 N ASP A 31 -10.717 7.374 1.676 1.00 0.00 N ATOM 183 CA ASP A 31 -12.103 6.953 1.745 1.00 0.00 C ATOM 184 C ASP A 31 -12.759 7.168 0.412 1.00 0.00 C ATOM 185 O ASP A 31 -13.463 6.296 -0.109 1.00 0.00 O ATOM 186 CB ASP A 31 -12.851 7.720 2.822 1.00 0.00 C ATOM 187 CG ASP A 31 -14.253 7.207 3.041 1.00 0.00 C ATOM 188 OD1 ASP A 31 -15.176 7.606 2.312 1.00 0.00 O ATOM 189 OD2 ASP A 31 -14.455 6.428 3.996 1.00 0.00 O ATOM 0 H ASP A 31 -10.524 8.283 2.097 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.133 5.894 2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.296 7.657 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.894 8.774 2.547 1.00 0.00 H new ATOM 194 N GLU A 32 -12.481 8.302 -0.157 1.00 0.00 N ATOM 195 CA GLU A 32 -13.001 8.656 -1.429 1.00 0.00 C ATOM 196 C GLU A 32 -11.882 8.605 -2.426 1.00 0.00 C ATOM 197 O GLU A 32 -10.733 8.303 -2.067 1.00 0.00 O ATOM 198 CB GLU A 32 -13.648 10.033 -1.413 1.00 0.00 C ATOM 199 CG GLU A 32 -14.877 10.141 -0.535 1.00 0.00 C ATOM 200 CD GLU A 32 -15.511 11.498 -0.645 1.00 0.00 C ATOM 201 OE1 GLU A 32 -16.513 11.659 -1.383 1.00 0.00 O ATOM 202 OE2 GLU A 32 -14.994 12.444 -0.046 1.00 0.00 O ATOM 0 H GLU A 32 -11.878 9.012 0.260 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.783 7.949 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.911 10.762 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.921 10.304 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.599 9.376 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.603 9.949 0.502 1.00 0.00 H new ATOM 209 N THR A 33 -12.189 8.871 -3.647 1.00 0.00 N ATOM 210 CA THR A 33 -11.243 8.807 -4.678 1.00 0.00 C ATOM 211 C THR A 33 -10.429 10.087 -4.770 1.00 0.00 C ATOM 212 O THR A 33 -10.636 11.022 -3.956 1.00 0.00 O ATOM 213 CB THR A 33 -11.981 8.509 -5.970 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.354 8.963 -5.830 1.00 0.00 O ATOM 215 CG2 THR A 33 -11.978 7.039 -6.232 1.00 0.00 C ATOM 0 H THR A 33 -13.124 9.143 -3.951 1.00 0.00 H new ATOM 0 HA THR A 33 -10.524 8.013 -4.476 1.00 0.00 H new ATOM 0 HB THR A 33 -11.491 9.020 -6.799 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.469 9.809 -6.310 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.510 6.834 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.950 6.687 -6.317 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.472 6.522 -5.409 1.00 0.00 H new ATOM 223 N TYR A 34 -9.481 10.129 -5.738 1.00 0.00 N ATOM 224 CA TYR A 34 -8.642 11.314 -6.019 1.00 0.00 C ATOM 225 C TYR A 34 -8.010 11.921 -4.760 1.00 0.00 C ATOM 226 O TYR A 34 -7.911 13.146 -4.621 1.00 0.00 O ATOM 227 CB TYR A 34 -9.374 12.368 -6.943 1.00 0.00 C ATOM 228 CG TYR A 34 -10.896 12.425 -6.809 1.00 0.00 C ATOM 229 CD1 TYR A 34 -11.695 11.609 -7.595 1.00 0.00 C ATOM 230 CD2 TYR A 34 -11.525 13.250 -5.890 1.00 0.00 C ATOM 231 CE1 TYR A 34 -13.066 11.612 -7.471 1.00 0.00 C ATOM 232 CE2 TYR A 34 -12.904 13.254 -5.770 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.664 12.431 -6.561 1.00 0.00 C ATOM 234 OH TYR A 34 -15.041 12.431 -6.438 1.00 0.00 O ATOM 0 H TYR A 34 -9.278 9.336 -6.347 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.794 10.956 -6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.971 13.357 -6.724 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.127 12.146 -7.981 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.232 10.957 -8.320 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.932 13.897 -5.260 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.667 10.966 -8.094 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.382 13.906 -5.053 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.307 13.070 -5.744 1.00 0.00 H new ATOM 244 N GLU A 35 -7.557 11.025 -3.871 1.00 0.00 N ATOM 245 CA GLU A 35 -6.894 11.357 -2.604 1.00 0.00 C ATOM 246 C GLU A 35 -7.708 12.230 -1.653 1.00 0.00 C ATOM 247 O GLU A 35 -7.132 12.874 -0.768 1.00 0.00 O ATOM 248 CB GLU A 35 -5.494 11.959 -2.810 1.00 0.00 C ATOM 249 CG GLU A 35 -4.395 10.948 -3.104 1.00 0.00 C ATOM 250 CD GLU A 35 -4.567 10.208 -4.384 1.00 0.00 C ATOM 251 OE1 GLU A 35 -4.043 10.684 -5.406 1.00 0.00 O ATOM 252 OE2 GLU A 35 -5.198 9.146 -4.404 1.00 0.00 O ATOM 0 H GLU A 35 -7.645 10.020 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.796 10.389 -2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.540 12.673 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.221 12.520 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.437 11.467 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.351 10.229 -2.286 1.00 0.00 H new ATOM 259 N ARG A 36 -9.016 12.233 -1.761 1.00 0.00 N ATOM 260 CA ARG A 36 -9.767 13.020 -0.827 1.00 0.00 C ATOM 261 C ARG A 36 -10.453 12.130 0.215 1.00 0.00 C ATOM 262 O ARG A 36 -10.423 10.888 0.118 1.00 0.00 O ATOM 263 CB ARG A 36 -10.767 13.947 -1.499 1.00 0.00 C ATOM 264 CG ARG A 36 -12.057 13.315 -1.902 1.00 0.00 C ATOM 265 CD ARG A 36 -13.007 14.365 -2.382 1.00 0.00 C ATOM 266 NE ARG A 36 -14.346 13.823 -2.541 1.00 0.00 N ATOM 267 CZ ARG A 36 -15.319 14.315 -3.303 1.00 0.00 C ATOM 268 NH1 ARG A 36 -15.100 15.364 -4.096 1.00 0.00 N ATOM 269 NH2 ARG A 36 -16.513 13.743 -3.262 1.00 0.00 N ATOM 0 H ARG A 36 -9.559 11.721 -2.456 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.049 13.662 -0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.983 14.773 -0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.300 14.376 -2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.883 12.582 -2.689 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.490 12.779 -1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.028 15.193 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.659 14.768 -3.333 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.562 12.977 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.178 15.799 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.855 15.732 -4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.673 12.940 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.272 14.105 -3.839 1.00 0.00 H new ATOM 283 N GLY A 37 -11.055 12.759 1.199 1.00 0.00 N ATOM 284 CA GLY A 37 -11.705 12.051 2.255 1.00 0.00 C ATOM 285 C GLY A 37 -10.724 11.761 3.343 1.00 0.00 C ATOM 286 O GLY A 37 -9.562 12.195 3.268 1.00 0.00 O ATOM 0 H GLY A 37 -11.102 13.775 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.533 12.642 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.128 11.121 1.876 1.00 0.00 H new ATOM 290 N SER A 38 -11.145 11.076 4.355 1.00 0.00 N ATOM 291 CA SER A 38 -10.236 10.707 5.385 1.00 0.00 C ATOM 292 C SER A 38 -9.519 9.441 4.990 1.00 0.00 C ATOM 293 O SER A 38 -10.092 8.543 4.368 1.00 0.00 O ATOM 294 CB SER A 38 -10.929 10.572 6.723 1.00 0.00 C ATOM 295 OG SER A 38 -11.580 11.795 7.062 1.00 0.00 O ATOM 0 H SER A 38 -12.106 10.763 4.489 1.00 0.00 H new ATOM 0 HA SER A 38 -9.499 11.501 5.506 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.657 9.762 6.684 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.203 10.312 7.493 1.00 0.00 H new ATOM 0 HG SER A 38 -12.027 11.698 7.929 1.00 0.00 H new ATOM 301 N TYR A 39 -8.300 9.378 5.348 1.00 0.00 N ATOM 302 CA TYR A 39 -7.431 8.320 4.962 1.00 0.00 C ATOM 303 C TYR A 39 -7.024 7.586 6.211 1.00 0.00 C ATOM 304 O TYR A 39 -7.244 8.079 7.322 1.00 0.00 O ATOM 305 CB TYR A 39 -6.181 8.917 4.276 1.00 0.00 C ATOM 306 CG TYR A 39 -5.273 9.672 5.229 1.00 0.00 C ATOM 307 CD1 TYR A 39 -4.043 9.157 5.581 1.00 0.00 C ATOM 308 CD2 TYR A 39 -5.674 10.866 5.815 1.00 0.00 C ATOM 309 CE1 TYR A 39 -3.242 9.796 6.487 1.00 0.00 C ATOM 310 CE2 TYR A 39 -4.875 11.517 6.714 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.660 10.976 7.053 1.00 0.00 C ATOM 312 OH TYR A 39 -2.867 11.606 7.987 1.00 0.00 O ATOM 0 H TYR A 39 -7.854 10.080 5.938 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.926 7.641 4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.614 8.113 3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.499 9.590 3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.707 8.233 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.634 11.288 5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.285 9.375 6.756 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.197 12.449 7.154 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.307 12.429 8.288 1.00 0.00 H new ATOM 322 N ILE A 40 -6.473 6.445 6.048 1.00 0.00 N ATOM 323 CA ILE A 40 -5.976 5.688 7.156 1.00 0.00 C ATOM 324 C ILE A 40 -4.462 5.590 6.998 1.00 0.00 C ATOM 325 O ILE A 40 -3.950 5.661 5.872 1.00 0.00 O ATOM 326 CB ILE A 40 -6.603 4.257 7.191 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.227 3.510 8.485 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.164 3.458 5.972 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.843 2.131 8.607 1.00 0.00 C ATOM 0 H ILE A 40 -6.348 5.997 5.140 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.243 6.181 8.091 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.687 4.366 7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.142 3.417 8.535 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.535 4.111 9.341 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.608 2.463 6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.491 3.968 5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.078 3.370 5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.528 1.674 9.545 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.930 2.215 8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.515 1.511 7.773 1.00 0.00 H new ATOM 341 N GLU A 41 -3.765 5.463 8.082 1.00 0.00 N ATOM 342 CA GLU A 41 -2.351 5.274 8.036 1.00 0.00 C ATOM 343 C GLU A 41 -2.087 3.847 8.393 1.00 0.00 C ATOM 344 O GLU A 41 -2.540 3.370 9.440 1.00 0.00 O ATOM 345 CB GLU A 41 -1.678 6.146 9.077 1.00 0.00 C ATOM 346 CG GLU A 41 -1.881 7.623 8.892 1.00 0.00 C ATOM 347 CD GLU A 41 -1.474 8.382 10.109 1.00 0.00 C ATOM 348 OE1 GLU A 41 -2.348 8.644 10.972 1.00 0.00 O ATOM 349 OE2 GLU A 41 -0.281 8.695 10.257 1.00 0.00 O ATOM 0 H GLU A 41 -4.159 5.487 9.022 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.969 5.529 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.050 5.863 10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.608 5.937 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.302 7.967 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.929 7.823 8.669 1.00 0.00 H new ATOM 356 N VAL A 42 -1.389 3.173 7.549 1.00 0.00 N ATOM 357 CA VAL A 42 -1.026 1.817 7.793 1.00 0.00 C ATOM 358 C VAL A 42 0.468 1.703 7.737 1.00 0.00 C ATOM 359 O VAL A 42 1.106 2.258 6.840 1.00 0.00 O ATOM 360 CB VAL A 42 -1.681 0.860 6.767 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.211 -0.569 6.967 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.194 0.937 6.856 1.00 0.00 C ATOM 0 H VAL A 42 -1.050 3.547 6.663 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.387 1.525 8.779 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.373 1.178 5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.689 -1.216 6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.129 -0.617 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.477 -0.902 7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.636 0.258 6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.514 0.653 7.858 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.519 1.956 6.646 1.00 0.00 H new ATOM 372 N TYR A 43 1.022 1.033 8.705 1.00 0.00 N ATOM 373 CA TYR A 43 2.443 0.856 8.789 1.00 0.00 C ATOM 374 C TYR A 43 2.758 -0.635 8.816 1.00 0.00 C ATOM 375 O TYR A 43 3.905 -1.052 8.616 1.00 0.00 O ATOM 376 CB TYR A 43 2.956 1.461 10.098 1.00 0.00 C ATOM 377 CG TYR A 43 2.355 2.801 10.479 1.00 0.00 C ATOM 378 CD1 TYR A 43 1.360 2.873 11.444 1.00 0.00 C ATOM 379 CD2 TYR A 43 2.784 3.979 9.900 1.00 0.00 C ATOM 380 CE1 TYR A 43 0.814 4.079 11.820 1.00 0.00 C ATOM 381 CE2 TYR A 43 2.237 5.196 10.269 1.00 0.00 C ATOM 382 CZ TYR A 43 1.257 5.237 11.229 1.00 0.00 C ATOM 383 OH TYR A 43 0.724 6.444 11.616 1.00 0.00 O ATOM 0 H TYR A 43 0.499 0.592 9.462 1.00 0.00 H new ATOM 0 HA TYR A 43 2.915 1.339 7.933 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.763 0.754 10.905 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.038 1.575 10.026 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.007 1.964 11.909 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.558 3.950 9.148 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.042 4.115 12.575 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.580 6.108 9.804 1.00 0.00 H new ATOM 0 HH TYR A 43 0.596 7.013 10.828 1.00 0.00 H new ATOM 393 N LYS A 44 1.734 -1.433 9.053 1.00 0.00 N ATOM 394 CA LYS A 44 1.913 -2.858 9.282 1.00 0.00 C ATOM 395 C LYS A 44 1.367 -3.632 8.110 1.00 0.00 C ATOM 396 O LYS A 44 0.603 -3.108 7.312 1.00 0.00 O ATOM 397 CB LYS A 44 1.118 -3.331 10.524 1.00 0.00 C ATOM 398 CG LYS A 44 1.017 -2.379 11.653 1.00 0.00 C ATOM 399 CD LYS A 44 2.338 -1.968 12.193 1.00 0.00 C ATOM 400 CE LYS A 44 2.096 -0.920 13.206 1.00 0.00 C ATOM 401 NZ LYS A 44 1.451 -1.441 14.441 1.00 0.00 N ATOM 0 H LYS A 44 0.764 -1.119 9.092 1.00 0.00 H new ATOM 0 HA LYS A 44 2.980 -3.030 9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.108 -3.587 10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.578 -4.248 10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.474 -1.493 11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.431 -2.834 12.452 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.852 -2.820 12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.978 -1.590 11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.044 -0.451 13.469 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.465 -0.144 12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.535 -0.736 15.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.446 -1.630 14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.921 -2.322 14.733 1.00 0.00 H new ATOM 415 N SER A 45 1.763 -4.848 8.004 1.00 0.00 N ATOM 416 CA SER A 45 1.183 -5.731 7.062 1.00 0.00 C ATOM 417 C SER A 45 0.129 -6.586 7.782 1.00 0.00 C ATOM 418 O SER A 45 0.381 -7.096 8.879 1.00 0.00 O ATOM 419 CB SER A 45 2.286 -6.553 6.408 1.00 0.00 C ATOM 420 OG SER A 45 3.310 -6.875 7.347 1.00 0.00 O ATOM 0 H SER A 45 2.503 -5.260 8.572 1.00 0.00 H new ATOM 0 HA SER A 45 0.674 -5.194 6.261 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.865 -7.470 5.995 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.714 -5.996 5.575 1.00 0.00 H new ATOM 0 HG SER A 45 3.916 -6.111 7.445 1.00 0.00 H new ATOM 426 N VAL A 46 -1.036 -6.711 7.194 1.00 0.00 N ATOM 427 CA VAL A 46 -2.142 -7.398 7.824 1.00 0.00 C ATOM 428 C VAL A 46 -2.524 -8.631 7.005 1.00 0.00 C ATOM 429 O VAL A 46 -2.576 -8.576 5.777 1.00 0.00 O ATOM 430 CB VAL A 46 -3.379 -6.443 7.984 1.00 0.00 C ATOM 431 CG1 VAL A 46 -3.947 -6.015 6.646 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.447 -7.062 8.872 1.00 0.00 C ATOM 0 H VAL A 46 -1.246 -6.341 6.267 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.830 -7.714 8.819 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.022 -5.540 8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.800 -5.356 6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.182 -5.486 6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.268 -6.895 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.289 -6.375 8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.788 -7.999 8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.031 -7.256 9.860 1.00 0.00 H new ATOM 442 N GLY A 47 -2.785 -9.724 7.666 1.00 0.00 N ATOM 443 CA GLY A 47 -3.131 -10.922 6.954 1.00 0.00 C ATOM 444 C GLY A 47 -4.625 -11.120 6.804 1.00 0.00 C ATOM 445 O GLY A 47 -5.067 -11.879 5.933 1.00 0.00 O ATOM 0 H GLY A 47 -2.766 -9.811 8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.674 -10.893 5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.708 -11.781 7.475 1.00 0.00 H new ATOM 449 N SER A 48 -5.410 -10.442 7.615 1.00 0.00 N ATOM 450 CA SER A 48 -6.842 -10.590 7.550 1.00 0.00 C ATOM 451 C SER A 48 -7.584 -9.373 8.094 1.00 0.00 C ATOM 452 O SER A 48 -7.385 -8.964 9.239 1.00 0.00 O ATOM 453 CB SER A 48 -7.272 -11.875 8.268 1.00 0.00 C ATOM 454 OG SER A 48 -6.738 -11.938 9.585 1.00 0.00 O ATOM 0 H SER A 48 -5.079 -9.787 8.323 1.00 0.00 H new ATOM 0 HA SER A 48 -7.116 -10.666 6.498 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.360 -11.922 8.312 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.939 -12.742 7.697 1.00 0.00 H new ATOM 0 HG SER A 48 -6.864 -11.075 10.031 1.00 0.00 H new ATOM 460 N LEU A 49 -8.389 -8.795 7.249 1.00 0.00 N ATOM 461 CA LEU A 49 -9.233 -7.678 7.584 1.00 0.00 C ATOM 462 C LEU A 49 -10.672 -8.122 7.520 1.00 0.00 C ATOM 463 O LEU A 49 -11.128 -8.619 6.488 1.00 0.00 O ATOM 464 CB LEU A 49 -8.990 -6.578 6.555 1.00 0.00 C ATOM 465 CG LEU A 49 -7.598 -5.965 6.595 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.365 -5.094 5.386 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.425 -5.157 7.866 1.00 0.00 C ATOM 0 H LEU A 49 -8.481 -9.095 6.278 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.012 -7.309 8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.164 -6.986 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.725 -5.787 6.708 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.863 -6.770 6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.364 -4.665 5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.460 -5.694 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.103 -4.292 5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.426 -4.721 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.169 -4.361 7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.556 -5.807 8.731 1.00 0.00 H new ATOM 479 N SER A 50 -11.356 -8.052 8.625 1.00 0.00 N ATOM 480 CA SER A 50 -12.762 -8.346 8.661 1.00 0.00 C ATOM 481 C SER A 50 -13.505 -7.262 9.441 1.00 0.00 C ATOM 482 O SER A 50 -13.287 -7.110 10.649 1.00 0.00 O ATOM 483 CB SER A 50 -13.011 -9.729 9.219 1.00 0.00 C ATOM 484 OG SER A 50 -12.253 -10.680 8.478 1.00 0.00 O ATOM 0 H SER A 50 -10.957 -7.790 9.526 1.00 0.00 H new ATOM 0 HA SER A 50 -13.152 -8.345 7.643 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.731 -9.765 10.272 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.073 -9.970 9.163 1.00 0.00 H new ATOM 0 HG SER A 50 -12.411 -11.577 8.839 1.00 0.00 H new ATOM 490 N PRO A 51 -14.343 -6.470 8.778 1.00 0.00 N ATOM 491 CA PRO A 51 -14.579 -6.576 7.342 1.00 0.00 C ATOM 492 C PRO A 51 -13.386 -6.026 6.538 1.00 0.00 C ATOM 493 O PRO A 51 -12.523 -5.322 7.101 1.00 0.00 O ATOM 494 CB PRO A 51 -15.822 -5.695 7.107 1.00 0.00 C ATOM 495 CG PRO A 51 -16.310 -5.304 8.464 1.00 0.00 C ATOM 496 CD PRO A 51 -15.127 -5.389 9.373 1.00 0.00 C ATOM 0 HA PRO A 51 -14.713 -7.609 7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.571 -4.816 6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.589 -6.241 6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.721 -4.295 8.454 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.106 -5.969 8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.570 -4.453 9.401 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.419 -5.617 10.398 1.00 0.00 H new ATOM 504 N PRO A 52 -13.281 -6.382 5.250 1.00 0.00 N ATOM 505 CA PRO A 52 -12.227 -5.871 4.382 1.00 0.00 C ATOM 506 C PRO A 52 -12.351 -4.361 4.224 1.00 0.00 C ATOM 507 O PRO A 52 -13.440 -3.784 4.405 1.00 0.00 O ATOM 508 CB PRO A 52 -12.488 -6.565 3.034 1.00 0.00 C ATOM 509 CG PRO A 52 -13.897 -7.013 3.097 1.00 0.00 C ATOM 510 CD PRO A 52 -14.179 -7.303 4.539 1.00 0.00 C ATOM 0 HA PRO A 52 -11.229 -6.065 4.776 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.329 -5.880 2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.813 -7.408 2.887 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.568 -6.243 2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.051 -7.901 2.484 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.224 -7.120 4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.969 -8.343 4.789 1.00 0.00 H new ATOM 518 N TRP A 53 -11.287 -3.727 3.865 1.00 0.00 N ATOM 519 CA TRP A 53 -11.305 -2.300 3.721 1.00 0.00 C ATOM 520 C TRP A 53 -11.699 -1.962 2.333 1.00 0.00 C ATOM 521 O TRP A 53 -11.198 -2.557 1.394 1.00 0.00 O ATOM 522 CB TRP A 53 -9.937 -1.693 4.005 1.00 0.00 C ATOM 523 CG TRP A 53 -9.510 -1.756 5.441 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.314 -1.915 6.536 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.177 -1.637 5.939 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.559 -1.906 7.678 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.242 -1.730 7.338 1.00 0.00 C ATOM 528 CE3 TRP A 53 -6.930 -1.466 5.336 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.107 -1.650 8.141 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.810 -1.395 6.141 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.907 -1.486 7.525 1.00 0.00 C ATOM 0 H TRP A 53 -10.390 -4.169 3.664 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.017 -1.893 4.439 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.193 -2.207 3.396 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -9.944 -0.650 3.688 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.387 -2.031 6.504 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.917 -2.013 8.627 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.843 -1.391 4.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.178 -1.716 9.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.839 -1.266 5.686 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.010 -1.425 8.123 1.00 0.00 H new ATOM 542 N THR A 54 -12.597 -1.039 2.200 1.00 0.00 N ATOM 543 CA THR A 54 -13.052 -0.615 0.916 1.00 0.00 C ATOM 544 C THR A 54 -12.682 0.857 0.657 1.00 0.00 C ATOM 545 O THR A 54 -13.488 1.758 0.883 1.00 0.00 O ATOM 546 CB THR A 54 -14.571 -0.842 0.793 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.225 -0.418 2.012 1.00 0.00 O ATOM 548 CG2 THR A 54 -14.875 -2.311 0.547 1.00 0.00 C ATOM 0 H THR A 54 -13.037 -0.556 2.983 1.00 0.00 H new ATOM 0 HA THR A 54 -12.553 -1.213 0.154 1.00 0.00 H new ATOM 0 HB THR A 54 -14.941 -0.259 -0.050 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.949 0.497 2.230 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.953 -2.450 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.395 -2.632 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.496 -2.905 1.378 1.00 0.00 H new ATOM 556 N PRO A 55 -11.413 1.138 0.311 1.00 0.00 N ATOM 557 CA PRO A 55 -10.970 2.486 0.025 1.00 0.00 C ATOM 558 C PRO A 55 -11.387 2.968 -1.361 1.00 0.00 C ATOM 559 O PRO A 55 -11.694 2.167 -2.260 1.00 0.00 O ATOM 560 CB PRO A 55 -9.459 2.383 0.107 1.00 0.00 C ATOM 561 CG PRO A 55 -9.170 1.002 -0.320 1.00 0.00 C ATOM 562 CD PRO A 55 -10.295 0.178 0.217 1.00 0.00 C ATOM 0 HA PRO A 55 -11.409 3.205 0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.974 3.111 -0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.101 2.571 1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.114 0.930 -1.406 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.212 0.662 0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.535 -0.654 -0.446 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.051 -0.250 1.189 1.00 0.00 H new ATOM 570 N GLY A 56 -11.425 4.263 -1.518 1.00 0.00 N ATOM 571 CA GLY A 56 -11.727 4.847 -2.791 1.00 0.00 C ATOM 572 C GLY A 56 -10.500 4.881 -3.659 1.00 0.00 C ATOM 573 O GLY A 56 -10.565 4.583 -4.852 1.00 0.00 O ATOM 0 H GLY A 56 -11.249 4.936 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.512 4.274 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.110 5.858 -2.652 1.00 0.00 H new ATOM 577 N SER A 57 -9.377 5.185 -3.042 1.00 0.00 N ATOM 578 CA SER A 57 -8.105 5.297 -3.685 1.00 0.00 C ATOM 579 C SER A 57 -7.029 4.906 -2.684 1.00 0.00 C ATOM 580 O SER A 57 -7.285 4.886 -1.470 1.00 0.00 O ATOM 581 CB SER A 57 -7.895 6.736 -4.128 1.00 0.00 C ATOM 582 OG SER A 57 -8.886 7.126 -5.027 1.00 0.00 O ATOM 0 H SER A 57 -9.335 5.366 -2.039 1.00 0.00 H new ATOM 0 HA SER A 57 -8.058 4.645 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.906 7.394 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.915 6.839 -4.593 1.00 0.00 H new ATOM 0 HG SER A 57 -8.507 7.178 -5.929 1.00 0.00 H new ATOM 588 N VAL A 58 -5.855 4.580 -3.171 1.00 0.00 N ATOM 589 CA VAL A 58 -4.749 4.194 -2.319 1.00 0.00 C ATOM 590 C VAL A 58 -3.519 4.912 -2.822 1.00 0.00 C ATOM 591 O VAL A 58 -3.364 5.068 -4.036 1.00 0.00 O ATOM 592 CB VAL A 58 -4.465 2.659 -2.409 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.393 2.236 -1.421 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.725 1.828 -2.228 1.00 0.00 C ATOM 0 H VAL A 58 -5.637 4.574 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.994 4.447 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.095 2.469 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.220 1.164 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.468 2.772 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.720 2.468 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.476 0.769 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.159 2.034 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.445 2.084 -3.006 1.00 0.00 H new ATOM 604 N CYS A 59 -2.660 5.356 -1.940 1.00 0.00 N ATOM 605 CA CYS A 59 -1.436 5.976 -2.372 1.00 0.00 C ATOM 606 C CYS A 59 -0.295 5.679 -1.414 1.00 0.00 C ATOM 607 O CYS A 59 -0.505 5.504 -0.195 1.00 0.00 O ATOM 608 CB CYS A 59 -1.588 7.490 -2.570 1.00 0.00 C ATOM 609 SG CYS A 59 -0.088 8.261 -3.279 1.00 0.00 S ATOM 0 H CYS A 59 -2.784 5.300 -0.929 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.195 5.540 -3.342 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.436 7.683 -3.226 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.814 7.957 -1.611 1.00 0.00 H new ATOM 614 N VAL A 60 0.893 5.598 -1.968 1.00 0.00 N ATOM 615 CA VAL A 60 2.101 5.416 -1.210 1.00 0.00 C ATOM 616 C VAL A 60 2.958 6.656 -1.418 1.00 0.00 C ATOM 617 O VAL A 60 3.265 7.006 -2.566 1.00 0.00 O ATOM 618 CB VAL A 60 2.894 4.167 -1.678 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.170 3.986 -0.861 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.031 2.925 -1.595 1.00 0.00 C ATOM 0 H VAL A 60 1.045 5.658 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 60 1.847 5.268 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 60 3.179 4.323 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.704 3.103 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.805 4.865 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.914 3.861 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.605 2.060 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.710 2.773 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.156 3.047 -2.233 1.00 0.00 H new ATOM 630 N PRO A 61 3.324 7.351 -0.338 1.00 0.00 N ATOM 631 CA PRO A 61 4.127 8.566 -0.421 1.00 0.00 C ATOM 632 C PRO A 61 5.515 8.269 -0.968 1.00 0.00 C ATOM 633 O PRO A 61 6.067 7.179 -0.739 1.00 0.00 O ATOM 634 CB PRO A 61 4.213 9.044 1.036 1.00 0.00 C ATOM 635 CG PRO A 61 3.954 7.826 1.846 1.00 0.00 C ATOM 636 CD PRO A 61 3.004 6.996 1.047 1.00 0.00 C ATOM 0 HA PRO A 61 3.694 9.309 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.193 9.466 1.257 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.477 9.821 1.242 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.879 7.283 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.527 8.085 2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.147 5.931 1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.967 7.225 1.291 1.00 0.00 H new ATOM 644 N PHE A 62 6.070 9.210 -1.687 1.00 0.00 N ATOM 645 CA PHE A 62 7.367 9.025 -2.271 1.00 0.00 C ATOM 646 C PHE A 62 8.421 9.022 -1.178 1.00 0.00 C ATOM 647 O PHE A 62 8.380 9.832 -0.251 1.00 0.00 O ATOM 648 CB PHE A 62 7.655 10.107 -3.313 1.00 0.00 C ATOM 649 CG PHE A 62 8.940 9.903 -4.090 1.00 0.00 C ATOM 650 CD1 PHE A 62 10.129 10.484 -3.675 1.00 0.00 C ATOM 651 CD2 PHE A 62 8.952 9.125 -5.235 1.00 0.00 C ATOM 652 CE1 PHE A 62 11.296 10.290 -4.387 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.116 8.932 -5.949 1.00 0.00 C ATOM 654 CZ PHE A 62 11.287 9.513 -5.523 1.00 0.00 C ATOM 0 H PHE A 62 5.640 10.114 -1.881 1.00 0.00 H new ATOM 0 HA PHE A 62 7.392 8.064 -2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.823 10.148 -4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.697 11.074 -2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.142 11.095 -2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.037 8.663 -5.574 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.215 10.748 -4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.108 8.325 -6.842 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.200 9.360 -6.080 1.00 0.00 H new ATOM 664 N VAL A 63 9.318 8.084 -1.257 1.00 0.00 N ATOM 665 CA VAL A 63 10.370 7.971 -0.297 1.00 0.00 C ATOM 666 C VAL A 63 11.702 8.074 -1.013 1.00 0.00 C ATOM 667 O VAL A 63 11.961 7.330 -1.957 1.00 0.00 O ATOM 668 CB VAL A 63 10.279 6.636 0.502 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.385 6.540 1.519 1.00 0.00 C ATOM 670 CG2 VAL A 63 8.922 6.501 1.184 1.00 0.00 C ATOM 0 H VAL A 63 9.339 7.376 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 63 10.274 8.782 0.425 1.00 0.00 H new ATOM 0 HB VAL A 63 10.392 5.817 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.299 5.599 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.349 6.579 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.309 7.372 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.884 5.561 1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.777 7.332 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.134 6.513 0.431 1.00 0.00 H new ATOM 680 N ASN A 64 12.501 9.017 -0.589 1.00 0.00 N ATOM 681 CA ASN A 64 13.823 9.271 -1.160 1.00 0.00 C ATOM 682 C ASN A 64 14.836 9.108 -0.032 1.00 0.00 C ATOM 683 O ASN A 64 15.920 9.693 -0.034 1.00 0.00 O ATOM 684 CB ASN A 64 13.879 10.714 -1.684 1.00 0.00 C ATOM 685 CG ASN A 64 15.092 10.998 -2.570 1.00 0.00 C ATOM 686 OD1 ASN A 64 15.562 10.134 -3.314 1.00 0.00 O ATOM 687 ND2 ASN A 64 15.599 12.196 -2.497 1.00 0.00 N ATOM 0 H ASN A 64 12.259 9.648 0.175 1.00 0.00 H new ATOM 0 HA ASN A 64 14.034 8.586 -1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.970 10.922 -2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.891 11.399 -0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.409 12.443 -3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.186 12.887 -1.871 1.00 0.00 H new ATOM 694 N ASP A 65 14.444 8.303 0.934 1.00 0.00 N ATOM 695 CA ASP A 65 15.230 8.018 2.138 1.00 0.00 C ATOM 696 C ASP A 65 16.585 7.431 1.759 1.00 0.00 C ATOM 697 O ASP A 65 16.708 6.737 0.743 1.00 0.00 O ATOM 698 CB ASP A 65 14.475 7.049 3.072 1.00 0.00 C ATOM 699 CG ASP A 65 15.077 6.936 4.474 1.00 0.00 C ATOM 700 OD1 ASP A 65 16.225 6.510 4.623 1.00 0.00 O ATOM 701 OD2 ASP A 65 14.373 7.242 5.459 1.00 0.00 O ATOM 0 H ASP A 65 13.550 7.812 0.912 1.00 0.00 H new ATOM 0 HA ASP A 65 15.387 8.956 2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.439 7.378 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.458 6.060 2.615 1.00 0.00 H new ATOM 706 N THR A 66 17.598 7.775 2.530 1.00 0.00 N ATOM 707 CA THR A 66 18.955 7.291 2.329 1.00 0.00 C ATOM 708 C THR A 66 19.032 5.731 2.432 1.00 0.00 C ATOM 709 O THR A 66 19.986 5.112 1.932 1.00 0.00 O ATOM 710 CB THR A 66 19.893 7.965 3.356 1.00 0.00 C ATOM 711 OG1 THR A 66 19.683 9.392 3.288 1.00 0.00 O ATOM 712 CG2 THR A 66 21.363 7.679 3.054 1.00 0.00 C ATOM 0 H THR A 66 17.503 8.407 3.325 1.00 0.00 H new ATOM 0 HA THR A 66 19.276 7.555 1.321 1.00 0.00 H new ATOM 0 HB THR A 66 19.665 7.568 4.345 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.268 9.840 3.934 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.990 8.170 3.798 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.538 6.604 3.085 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.611 8.059 2.063 1.00 0.00 H new ATOM 720 N LYS A 67 18.035 5.114 3.079 1.00 0.00 N ATOM 721 CA LYS A 67 17.939 3.657 3.133 1.00 0.00 C ATOM 722 C LYS A 67 17.856 3.101 1.732 1.00 0.00 C ATOM 723 O LYS A 67 17.161 3.654 0.880 1.00 0.00 O ATOM 724 CB LYS A 67 16.719 3.199 3.942 1.00 0.00 C ATOM 725 CG LYS A 67 16.801 3.492 5.426 1.00 0.00 C ATOM 726 CD LYS A 67 17.955 2.756 6.066 1.00 0.00 C ATOM 727 CE LYS A 67 18.048 3.060 7.537 1.00 0.00 C ATOM 728 NZ LYS A 67 19.172 2.347 8.160 1.00 0.00 N ATOM 0 H LYS A 67 17.287 5.603 3.570 1.00 0.00 H new ATOM 0 HA LYS A 67 18.833 3.281 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.829 3.682 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.590 2.126 3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.919 4.564 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.868 3.201 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.830 1.683 5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.886 3.038 5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.171 4.133 7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.117 2.776 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.210 2.577 9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.041 1.322 8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 20.062 2.637 7.706 1.00 0.00 H new ATOM 742 N ARG A 68 18.541 2.006 1.499 1.00 0.00 N ATOM 743 CA ARG A 68 18.631 1.420 0.179 1.00 0.00 C ATOM 744 C ARG A 68 17.316 0.853 -0.269 1.00 0.00 C ATOM 745 O ARG A 68 17.093 0.684 -1.454 1.00 0.00 O ATOM 746 CB ARG A 68 19.690 0.328 0.130 1.00 0.00 C ATOM 747 CG ARG A 68 21.113 0.804 0.342 1.00 0.00 C ATOM 748 CD ARG A 68 21.536 1.775 -0.745 1.00 0.00 C ATOM 749 NE ARG A 68 22.960 2.087 -0.679 1.00 0.00 N ATOM 750 CZ ARG A 68 23.561 3.069 -1.349 1.00 0.00 C ATOM 751 NH1 ARG A 68 22.843 3.919 -2.062 1.00 0.00 N ATOM 752 NH2 ARG A 68 24.879 3.201 -1.285 1.00 0.00 N ATOM 0 H ARG A 68 19.052 1.495 2.218 1.00 0.00 H new ATOM 0 HA ARG A 68 18.914 2.225 -0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.456 -0.418 0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.630 -0.171 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.196 1.286 1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.788 -0.052 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.304 1.349 -1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.959 2.695 -0.653 1.00 0.00 H new ATOM 0 HE ARG A 68 23.541 1.508 -0.072 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.828 3.823 -2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 68 23.304 4.671 -2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 68 25.430 2.551 -0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 68 25.342 3.952 -1.797 1.00 0.00 H new ATOM 766 N GLU A 69 16.479 0.517 0.657 1.00 0.00 N ATOM 767 CA GLU A 69 15.212 -0.035 0.338 1.00 0.00 C ATOM 768 C GLU A 69 14.041 0.901 0.673 1.00 0.00 C ATOM 769 O GLU A 69 13.951 1.468 1.773 1.00 0.00 O ATOM 770 CB GLU A 69 15.035 -1.449 0.922 1.00 0.00 C ATOM 771 CG GLU A 69 15.123 -1.574 2.443 1.00 0.00 C ATOM 772 CD GLU A 69 16.508 -1.320 2.992 1.00 0.00 C ATOM 773 OE1 GLU A 69 16.822 -0.163 3.337 1.00 0.00 O ATOM 774 OE2 GLU A 69 17.307 -2.270 3.104 1.00 0.00 O ATOM 0 H GLU A 69 16.658 0.619 1.656 1.00 0.00 H new ATOM 0 HA GLU A 69 15.191 -0.141 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.065 -1.831 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.793 -2.097 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.426 -0.870 2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.803 -2.574 2.736 1.00 0.00 H new ATOM 781 N ARG A 70 13.171 1.071 -0.293 1.00 0.00 N ATOM 782 CA ARG A 70 11.958 1.839 -0.124 1.00 0.00 C ATOM 783 C ARG A 70 10.827 0.932 0.250 1.00 0.00 C ATOM 784 O ARG A 70 10.861 -0.254 -0.043 1.00 0.00 O ATOM 785 CB ARG A 70 11.542 2.656 -1.365 1.00 0.00 C ATOM 786 CG ARG A 70 12.215 3.999 -1.506 1.00 0.00 C ATOM 787 CD ARG A 70 13.586 3.856 -2.031 1.00 0.00 C ATOM 788 NE ARG A 70 13.550 3.281 -3.396 1.00 0.00 N ATOM 789 CZ ARG A 70 14.370 2.332 -3.838 1.00 0.00 C ATOM 790 NH1 ARG A 70 15.471 2.068 -3.174 1.00 0.00 N ATOM 791 NH2 ARG A 70 14.117 1.703 -4.978 1.00 0.00 N ATOM 0 H ARG A 70 13.285 0.677 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 70 12.177 2.555 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.754 2.066 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.463 2.810 -1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.631 4.633 -2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.244 4.498 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.080 4.828 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.171 3.214 -1.373 1.00 0.00 H new ATOM 0 HE ARG A 70 12.847 3.638 -4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.692 2.589 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.105 1.342 -3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.289 1.946 -5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.750 0.976 -5.311 1.00 0.00 H new ATOM 805 N PRO A 71 9.824 1.463 0.915 1.00 0.00 N ATOM 806 CA PRO A 71 8.661 0.688 1.286 1.00 0.00 C ATOM 807 C PRO A 71 7.726 0.493 0.072 1.00 0.00 C ATOM 808 O PRO A 71 7.469 1.433 -0.695 1.00 0.00 O ATOM 809 CB PRO A 71 8.018 1.557 2.371 1.00 0.00 C ATOM 810 CG PRO A 71 8.369 2.955 1.985 1.00 0.00 C ATOM 811 CD PRO A 71 9.720 2.875 1.325 1.00 0.00 C ATOM 0 HA PRO A 71 8.889 -0.321 1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.938 1.414 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.405 1.309 3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.626 3.370 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.399 3.605 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.788 3.547 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.519 3.152 2.013 1.00 0.00 H new ATOM 819 N TYR A 72 7.260 -0.709 -0.104 1.00 0.00 N ATOM 820 CA TYR A 72 6.405 -1.061 -1.209 1.00 0.00 C ATOM 821 C TYR A 72 5.198 -1.776 -0.615 1.00 0.00 C ATOM 822 O TYR A 72 5.336 -2.509 0.365 1.00 0.00 O ATOM 823 CB TYR A 72 7.178 -1.989 -2.166 1.00 0.00 C ATOM 824 CG TYR A 72 6.571 -2.154 -3.546 1.00 0.00 C ATOM 825 CD1 TYR A 72 5.519 -3.029 -3.780 1.00 0.00 C ATOM 826 CD2 TYR A 72 7.072 -1.436 -4.621 1.00 0.00 C ATOM 827 CE1 TYR A 72 4.985 -3.177 -5.044 1.00 0.00 C ATOM 828 CE2 TYR A 72 6.543 -1.580 -5.885 1.00 0.00 C ATOM 829 CZ TYR A 72 5.500 -2.450 -6.090 1.00 0.00 C ATOM 830 OH TYR A 72 4.969 -2.595 -7.351 1.00 0.00 O ATOM 0 H TYR A 72 7.464 -1.487 0.523 1.00 0.00 H new ATOM 0 HA TYR A 72 6.085 -0.186 -1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.192 -1.604 -2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.259 -2.973 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.112 -3.603 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.892 -0.751 -4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.166 -3.861 -5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.946 -1.012 -6.710 1.00 0.00 H new ATOM 0 HH TYR A 72 5.445 -2.009 -7.976 1.00 0.00 H new ATOM 840 N TRP A 73 4.039 -1.574 -1.164 1.00 0.00 N ATOM 841 CA TRP A 73 2.855 -2.111 -0.565 1.00 0.00 C ATOM 842 C TRP A 73 2.056 -2.959 -1.538 1.00 0.00 C ATOM 843 O TRP A 73 1.837 -2.573 -2.682 1.00 0.00 O ATOM 844 CB TRP A 73 2.010 -0.967 -0.008 1.00 0.00 C ATOM 845 CG TRP A 73 2.689 -0.202 1.103 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.533 0.866 0.986 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.563 -0.455 2.493 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.929 1.289 2.230 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.344 0.495 3.173 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.855 -1.389 3.222 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.427 0.528 4.562 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.926 -1.363 4.586 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.707 -0.410 5.253 1.00 0.00 C ATOM 0 H TRP A 73 3.887 -1.044 -2.022 1.00 0.00 H new ATOM 0 HA TRP A 73 3.151 -2.773 0.249 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.767 -0.278 -0.817 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.067 -1.369 0.362 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.843 1.312 0.052 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.558 2.069 2.419 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.252 -2.131 2.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.033 1.262 5.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.370 -2.090 5.160 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.742 -0.415 6.332 1.00 0.00 H new ATOM 864 N TYR A 74 1.660 -4.114 -1.084 1.00 0.00 N ATOM 865 CA TYR A 74 0.827 -5.018 -1.839 1.00 0.00 C ATOM 866 C TYR A 74 -0.515 -5.175 -1.155 1.00 0.00 C ATOM 867 O TYR A 74 -0.585 -5.264 0.071 1.00 0.00 O ATOM 868 CB TYR A 74 1.500 -6.383 -2.033 1.00 0.00 C ATOM 869 CG TYR A 74 2.478 -6.451 -3.201 1.00 0.00 C ATOM 870 CD1 TYR A 74 2.012 -6.537 -4.510 1.00 0.00 C ATOM 871 CD2 TYR A 74 3.847 -6.445 -3.002 1.00 0.00 C ATOM 872 CE1 TYR A 74 2.880 -6.613 -5.581 1.00 0.00 C ATOM 873 CE2 TYR A 74 4.728 -6.521 -4.069 1.00 0.00 C ATOM 874 CZ TYR A 74 4.239 -6.604 -5.359 1.00 0.00 C ATOM 875 OH TYR A 74 5.117 -6.679 -6.429 1.00 0.00 O ATOM 0 H TYR A 74 1.910 -4.465 -0.159 1.00 0.00 H new ATOM 0 HA TYR A 74 0.675 -4.590 -2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.030 -6.645 -1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.726 -7.137 -2.180 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.947 -6.544 -4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.236 -6.380 -1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.495 -6.679 -6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.794 -6.515 -3.893 1.00 0.00 H new ATOM 0 HH TYR A 74 6.039 -6.660 -6.098 1.00 0.00 H new ATOM 885 N LEU A 75 -1.560 -5.252 -1.938 1.00 0.00 N ATOM 886 CA LEU A 75 -2.916 -5.309 -1.423 1.00 0.00 C ATOM 887 C LEU A 75 -3.568 -6.533 -2.019 1.00 0.00 C ATOM 888 O LEU A 75 -3.290 -6.873 -3.178 1.00 0.00 O ATOM 889 CB LEU A 75 -3.698 -4.069 -1.906 1.00 0.00 C ATOM 890 CG LEU A 75 -2.971 -2.714 -1.818 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.823 -1.607 -2.398 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.581 -2.381 -0.393 1.00 0.00 C ATOM 0 H LEU A 75 -1.501 -5.277 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.911 -5.342 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.988 -4.233 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.618 -4.000 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.057 -2.799 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.288 -0.660 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.037 -1.823 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.759 -1.539 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.070 -1.418 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.476 -2.331 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.915 -3.153 -0.008 1.00 0.00 H new ATOM 904 N PHE A 76 -4.388 -7.206 -1.238 1.00 0.00 N ATOM 905 CA PHE A 76 -5.038 -8.435 -1.664 1.00 0.00 C ATOM 906 C PHE A 76 -6.502 -8.394 -1.303 1.00 0.00 C ATOM 907 O PHE A 76 -6.874 -7.889 -0.235 1.00 0.00 O ATOM 908 CB PHE A 76 -4.392 -9.641 -0.981 1.00 0.00 C ATOM 909 CG PHE A 76 -2.923 -9.762 -1.226 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.444 -10.501 -2.287 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.016 -9.118 -0.400 1.00 0.00 C ATOM 912 CE1 PHE A 76 -1.101 -10.592 -2.521 1.00 0.00 C ATOM 913 CE2 PHE A 76 -0.667 -9.212 -0.635 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.213 -9.949 -1.699 1.00 0.00 C ATOM 0 H PHE A 76 -4.625 -6.918 -0.288 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.926 -8.527 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.567 -9.574 0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.884 -10.549 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.137 -11.012 -2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.374 -8.536 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.738 -11.172 -3.356 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.033 -8.708 0.015 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.848 -10.023 -1.889 1.00 0.00 H new ATOM 924 N ASP A 77 -7.333 -8.938 -2.164 1.00 0.00 N ATOM 925 CA ASP A 77 -8.785 -8.935 -1.941 1.00 0.00 C ATOM 926 C ASP A 77 -9.227 -10.134 -1.150 1.00 0.00 C ATOM 927 O ASP A 77 -10.410 -10.280 -0.844 1.00 0.00 O ATOM 928 CB ASP A 77 -9.583 -8.859 -3.245 1.00 0.00 C ATOM 929 CG ASP A 77 -9.751 -10.165 -3.983 1.00 0.00 C ATOM 930 OD1 ASP A 77 -8.775 -10.881 -4.210 1.00 0.00 O ATOM 931 OD2 ASP A 77 -10.888 -10.466 -4.406 1.00 0.00 O ATOM 0 H ASP A 77 -7.040 -9.392 -3.029 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.993 -8.032 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.572 -8.458 -3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.093 -8.147 -3.909 1.00 0.00 H new ATOM 936 N ASN A 78 -8.303 -10.966 -0.771 1.00 0.00 N ATOM 937 CA ASN A 78 -8.628 -12.091 0.039 1.00 0.00 C ATOM 938 C ASN A 78 -7.607 -12.177 1.150 1.00 0.00 C ATOM 939 O ASN A 78 -6.548 -11.561 1.056 1.00 0.00 O ATOM 940 CB ASN A 78 -8.683 -13.384 -0.765 1.00 0.00 C ATOM 941 CG ASN A 78 -9.480 -14.450 -0.050 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.191 -15.627 -0.149 1.00 0.00 O ATOM 943 ND2 ASN A 78 -10.544 -14.054 0.599 1.00 0.00 N ATOM 0 H ASN A 78 -7.316 -10.882 -1.013 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.627 -11.958 0.455 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.129 -13.188 -1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.670 -13.745 -0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.157 -14.740 1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.760 -13.059 0.665 1.00 0.00 H new ATOM 950 N VAL A 79 -7.936 -12.873 2.214 1.00 0.00 N ATOM 951 CA VAL A 79 -7.067 -12.971 3.373 1.00 0.00 C ATOM 952 C VAL A 79 -5.877 -13.860 3.097 1.00 0.00 C ATOM 953 O VAL A 79 -5.843 -14.567 2.090 1.00 0.00 O ATOM 954 CB VAL A 79 -7.815 -13.503 4.615 1.00 0.00 C ATOM 955 CG1 VAL A 79 -8.951 -12.580 4.989 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.322 -14.919 4.376 1.00 0.00 C ATOM 0 H VAL A 79 -8.812 -13.388 2.304 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.721 -11.958 3.580 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.113 -13.533 5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.465 -12.973 5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.556 -11.589 5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.653 -12.511 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.845 -15.273 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.005 -14.922 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.479 -15.577 4.166 1.00 0.00 H new ATOM 966 N ASN A 80 -4.903 -13.799 3.990 1.00 0.00 N ATOM 967 CA ASN A 80 -3.677 -14.598 3.914 1.00 0.00 C ATOM 968 C ASN A 80 -2.930 -14.346 2.615 1.00 0.00 C ATOM 969 O ASN A 80 -2.220 -15.213 2.110 1.00 0.00 O ATOM 970 CB ASN A 80 -3.964 -16.105 4.117 1.00 0.00 C ATOM 971 CG ASN A 80 -4.404 -16.442 5.533 1.00 0.00 C ATOM 972 OD1 ASN A 80 -3.579 -16.601 6.437 1.00 0.00 O ATOM 973 ND2 ASN A 80 -5.673 -16.635 5.723 1.00 0.00 N ATOM 0 H ASN A 80 -4.936 -13.185 4.804 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.031 -14.278 4.732 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.739 -16.419 3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.067 -16.675 3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.013 -16.926 6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.331 -16.495 4.956 1.00 0.00 H new ATOM 980 N TYR A 81 -3.068 -13.113 2.119 1.00 0.00 N ATOM 981 CA TYR A 81 -2.406 -12.618 0.916 1.00 0.00 C ATOM 982 C TYR A 81 -2.784 -13.446 -0.311 1.00 0.00 C ATOM 983 O TYR A 81 -1.958 -13.679 -1.196 1.00 0.00 O ATOM 984 CB TYR A 81 -0.873 -12.582 1.101 1.00 0.00 C ATOM 985 CG TYR A 81 -0.424 -11.962 2.414 1.00 0.00 C ATOM 986 CD1 TYR A 81 0.497 -12.608 3.229 1.00 0.00 C ATOM 987 CD2 TYR A 81 -0.941 -10.756 2.848 1.00 0.00 C ATOM 988 CE1 TYR A 81 0.889 -12.067 4.431 1.00 0.00 C ATOM 989 CE2 TYR A 81 -0.551 -10.209 4.044 1.00 0.00 C ATOM 990 CZ TYR A 81 0.364 -10.866 4.835 1.00 0.00 C ATOM 991 OH TYR A 81 0.751 -10.322 6.042 1.00 0.00 O ATOM 0 H TYR A 81 -3.663 -12.412 2.560 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.753 -11.598 0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.486 -13.599 1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.431 -12.023 0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.913 -13.553 2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.663 -10.236 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.605 -12.584 5.052 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.962 -9.263 4.365 1.00 0.00 H new ATOM 0 HH TYR A 81 0.289 -9.469 6.180 1.00 0.00 H new ATOM 1001 N THR A 82 -4.031 -13.835 -0.399 1.00 0.00 N ATOM 1002 CA THR A 82 -4.476 -14.612 -1.525 1.00 0.00 C ATOM 1003 C THR A 82 -5.427 -13.790 -2.386 1.00 0.00 C ATOM 1004 O THR A 82 -5.756 -12.638 -2.042 1.00 0.00 O ATOM 1005 CB THR A 82 -5.164 -15.935 -1.088 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.287 -15.664 -0.255 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.201 -16.830 -0.340 1.00 0.00 C ATOM 0 H THR A 82 -4.752 -13.627 0.292 1.00 0.00 H new ATOM 0 HA THR A 82 -3.593 -14.878 -2.106 1.00 0.00 H new ATOM 0 HB THR A 82 -5.494 -16.445 -1.993 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.977 -15.395 0.635 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.710 -17.748 -0.047 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.356 -17.074 -0.984 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.842 -16.314 0.551 1.00 0.00 H new ATOM 1015 N GLY A 83 -5.846 -14.358 -3.490 1.00 0.00 N ATOM 1016 CA GLY A 83 -6.757 -13.688 -4.363 1.00 0.00 C ATOM 1017 C GLY A 83 -6.044 -12.794 -5.334 1.00 0.00 C ATOM 1018 O GLY A 83 -4.994 -13.166 -5.884 1.00 0.00 O ATOM 0 H GLY A 83 -5.564 -15.288 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.344 -14.425 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.458 -13.098 -3.773 1.00 0.00 H new ATOM 1022 N ARG A 84 -6.581 -11.634 -5.528 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.052 -10.655 -6.442 1.00 0.00 C ATOM 1024 C ARG A 84 -4.956 -9.865 -5.757 1.00 0.00 C ATOM 1025 O ARG A 84 -4.989 -9.686 -4.540 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.171 -9.729 -6.857 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.283 -10.395 -7.640 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.481 -9.467 -7.729 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.580 -9.992 -8.548 1.00 0.00 N ATOM 1030 CZ ARG A 84 -11.832 -10.199 -8.113 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.092 -10.303 -6.816 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -12.814 -10.390 -8.977 1.00 0.00 N ATOM 0 H ARG A 84 -7.424 -11.325 -5.045 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.636 -11.147 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.597 -9.272 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.753 -8.922 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.933 -10.648 -8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.571 -11.329 -7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.852 -9.271 -6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.158 -8.511 -8.141 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.376 -10.217 -9.522 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.335 -10.226 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.049 -10.460 -6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.621 -10.380 -9.979 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.765 -10.547 -8.642 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.006 -9.386 -6.521 1.00 0.00 N ATOM 1047 CA ILE A 85 -2.879 -8.680 -5.961 1.00 0.00 C ATOM 1048 C ILE A 85 -2.738 -7.290 -6.600 1.00 0.00 C ATOM 1049 O ILE A 85 -3.012 -7.102 -7.793 1.00 0.00 O ATOM 1050 CB ILE A 85 -1.561 -9.509 -6.148 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.407 -8.895 -5.364 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.180 -9.589 -7.621 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.857 -9.735 -5.386 1.00 0.00 C ATOM 0 H ILE A 85 -3.990 -9.472 -7.537 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.054 -8.549 -4.893 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.751 -10.513 -5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.185 -7.909 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.718 -8.749 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.263 -10.168 -7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.982 -10.072 -8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.022 -8.584 -8.011 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.635 -9.236 -4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.652 -10.713 -4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.193 -9.860 -6.415 1.00 0.00 H new ATOM 1065 N THR A 86 -2.428 -6.318 -5.802 1.00 0.00 N ATOM 1066 CA THR A 86 -2.158 -4.980 -6.283 1.00 0.00 C ATOM 1067 C THR A 86 -0.862 -4.474 -5.659 1.00 0.00 C ATOM 1068 O THR A 86 -0.702 -4.562 -4.452 1.00 0.00 O ATOM 1069 CB THR A 86 -3.347 -4.034 -5.971 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.526 -4.537 -6.599 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.092 -2.634 -6.475 1.00 0.00 C ATOM 0 H THR A 86 -2.352 -6.420 -4.790 1.00 0.00 H new ATOM 0 HA THR A 86 -2.039 -5.000 -7.366 1.00 0.00 H new ATOM 0 HB THR A 86 -3.469 -3.995 -4.888 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.054 -5.043 -5.947 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.947 -2.001 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.199 -2.232 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.946 -2.657 -7.555 1.00 0.00 H new ATOM 1079 N GLY A 87 0.062 -3.996 -6.470 1.00 0.00 N ATOM 1080 CA GLY A 87 1.320 -3.518 -5.948 1.00 0.00 C ATOM 1081 C GLY A 87 1.525 -2.041 -6.155 1.00 0.00 C ATOM 1082 O GLY A 87 1.598 -1.567 -7.290 1.00 0.00 O ATOM 0 H GLY A 87 -0.036 -3.930 -7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.371 -3.740 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.135 -4.062 -6.426 1.00 0.00 H new ATOM 1086 N LEU A 88 1.631 -1.315 -5.075 1.00 0.00 N ATOM 1087 CA LEU A 88 1.858 0.111 -5.124 1.00 0.00 C ATOM 1088 C LEU A 88 3.243 0.451 -4.654 1.00 0.00 C ATOM 1089 O LEU A 88 3.789 -0.200 -3.752 1.00 0.00 O ATOM 1090 CB LEU A 88 0.796 0.899 -4.333 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.415 1.402 -5.130 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.014 2.449 -6.139 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -1.110 0.258 -5.830 1.00 0.00 C ATOM 0 H LEU A 88 1.563 -1.694 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 88 1.766 0.413 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.433 0.265 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.282 1.759 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.118 1.855 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.856 2.796 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.470 3.291 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.737 2.014 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.965 0.639 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.414 -0.225 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.453 -0.466 -5.091 1.00 0.00 H new ATOM 1105 N GLY A 89 3.802 1.462 -5.256 1.00 0.00 N ATOM 1106 CA GLY A 89 5.126 1.863 -4.942 1.00 0.00 C ATOM 1107 C GLY A 89 5.175 3.289 -4.500 1.00 0.00 C ATOM 1108 O GLY A 89 4.176 4.018 -4.621 1.00 0.00 O ATOM 0 H GLY A 89 3.347 2.024 -5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.524 1.223 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.765 1.729 -5.815 1.00 0.00 H new ATOM 1112 N HIS A 90 6.323 3.694 -4.013 1.00 0.00 N ATOM 1113 CA HIS A 90 6.517 5.027 -3.481 1.00 0.00 C ATOM 1114 C HIS A 90 6.336 6.095 -4.554 1.00 0.00 C ATOM 1115 O HIS A 90 7.023 6.096 -5.581 1.00 0.00 O ATOM 1116 CB HIS A 90 7.901 5.159 -2.783 1.00 0.00 C ATOM 1117 CG HIS A 90 9.108 4.910 -3.667 1.00 0.00 C ATOM 1118 ND1 HIS A 90 9.886 5.910 -4.225 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.678 3.744 -4.051 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.873 5.334 -4.906 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.796 4.017 -4.832 1.00 0.00 N ATOM 0 H HIS A 90 7.156 3.107 -3.973 1.00 0.00 H new ATOM 0 HA HIS A 90 5.746 5.190 -2.728 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.982 6.162 -2.363 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.935 4.460 -1.948 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.730 6.914 -4.130 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.321 2.758 -3.792 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.637 5.872 -5.448 1.00 0.00 H new ATOM 1129 N GLY A 91 5.409 6.986 -4.320 1.00 0.00 N ATOM 1130 CA GLY A 91 5.168 8.059 -5.240 1.00 0.00 C ATOM 1131 C GLY A 91 4.172 7.679 -6.294 1.00 0.00 C ATOM 1132 O GLY A 91 4.065 8.329 -7.326 1.00 0.00 O ATOM 0 H GLY A 91 4.808 6.987 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.805 8.930 -4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.106 8.348 -5.714 1.00 0.00 H new ATOM 1136 N THR A 92 3.472 6.605 -6.064 1.00 0.00 N ATOM 1137 CA THR A 92 2.465 6.171 -6.970 1.00 0.00 C ATOM 1138 C THR A 92 1.158 6.024 -6.199 1.00 0.00 C ATOM 1139 O THR A 92 1.161 5.658 -5.005 1.00 0.00 O ATOM 1140 CB THR A 92 2.867 4.817 -7.593 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.227 4.903 -8.062 1.00 0.00 O ATOM 1142 CG2 THR A 92 1.964 4.458 -8.770 1.00 0.00 C ATOM 0 H THR A 92 3.588 6.011 -5.243 1.00 0.00 H new ATOM 0 HA THR A 92 2.344 6.898 -7.773 1.00 0.00 H new ATOM 0 HB THR A 92 2.766 4.045 -6.830 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.491 4.046 -8.458 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.273 3.499 -9.187 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.931 4.389 -8.428 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.042 5.229 -9.537 1.00 0.00 H new ATOM 1150 N CYS A 93 0.066 6.306 -6.848 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.224 6.212 -6.228 1.00 0.00 C ATOM 1152 C CYS A 93 -2.185 5.605 -7.229 1.00 0.00 C ATOM 1153 O CYS A 93 -1.904 5.580 -8.435 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.764 7.596 -5.860 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.561 8.814 -5.180 1.00 0.00 S ATOM 0 H CYS A 93 0.044 6.608 -7.822 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.131 5.609 -5.325 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.217 8.030 -6.751 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.562 7.464 -5.129 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.268 5.079 -6.747 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.320 4.594 -7.599 1.00 0.00 C ATOM 1162 C ILE A 94 -5.314 5.715 -7.752 1.00 0.00 C ATOM 1163 O ILE A 94 -5.693 6.332 -6.745 1.00 0.00 O ATOM 1164 CB ILE A 94 -5.020 3.368 -6.993 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.978 2.316 -6.652 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -6.044 2.800 -7.982 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.541 1.068 -6.016 1.00 0.00 C ATOM 0 H ILE A 94 -3.452 4.972 -5.750 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.904 4.287 -8.558 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.547 3.663 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.448 2.038 -7.563 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.243 2.754 -5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.533 1.932 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.791 3.561 -8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.537 2.503 -8.900 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.731 0.370 -5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.046 1.330 -5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.253 0.602 -6.697 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.725 5.998 -8.964 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.651 7.106 -9.201 1.00 0.00 C ATOM 1181 C ASP A 95 -8.010 6.781 -8.660 1.00 0.00 C ATOM 1182 O ASP A 95 -8.584 7.547 -7.866 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.739 7.480 -10.694 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.472 8.112 -11.224 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -5.294 9.337 -11.059 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -4.620 7.396 -11.828 1.00 0.00 O ATOM 0 H ASP A 95 -5.443 5.489 -9.802 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.258 7.974 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.961 6.584 -11.274 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.571 8.169 -10.841 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.483 5.615 -8.988 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.764 5.172 -8.523 1.00 0.00 C ATOM 1193 C ASP A 96 -9.710 3.698 -8.225 1.00 0.00 C ATOM 1194 O ASP A 96 -9.901 2.860 -9.113 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.895 5.412 -9.537 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.125 6.846 -9.973 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -11.888 7.565 -9.321 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -10.611 7.247 -11.034 1.00 0.00 O ATOM 0 H ASP A 96 -7.994 4.946 -9.583 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.985 5.757 -7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.688 4.815 -10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.823 5.034 -9.108 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.433 3.365 -6.991 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.376 1.975 -6.557 1.00 0.00 C ATOM 1205 C PHE A 97 -10.763 1.347 -6.683 1.00 0.00 C ATOM 1206 O PHE A 97 -10.908 0.171 -6.979 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.838 1.876 -5.131 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.552 0.480 -4.678 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -9.270 -0.099 -3.662 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -7.546 -0.245 -5.272 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -8.982 -1.379 -3.246 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -7.254 -1.522 -4.867 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.970 -2.091 -3.851 1.00 0.00 C ATOM 0 H PHE A 97 -9.239 4.041 -6.252 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.688 1.422 -7.197 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.923 2.464 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.561 2.326 -4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -10.066 0.453 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.975 0.200 -6.073 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -9.551 -1.826 -2.444 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.462 -2.076 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.743 -3.095 -3.524 1.00 0.00 H new ATOM 1223 N THR A 98 -11.771 2.183 -6.526 1.00 0.00 N ATOM 1224 CA THR A 98 -13.152 1.781 -6.671 1.00 0.00 C ATOM 1225 C THR A 98 -13.436 1.322 -8.128 1.00 0.00 C ATOM 1226 O THR A 98 -14.328 0.514 -8.372 1.00 0.00 O ATOM 1227 CB THR A 98 -14.114 2.950 -6.249 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.496 2.609 -6.437 1.00 0.00 O ATOM 1229 CG2 THR A 98 -13.794 4.232 -7.005 1.00 0.00 C ATOM 0 H THR A 98 -11.651 3.169 -6.292 1.00 0.00 H new ATOM 0 HA THR A 98 -13.339 0.936 -6.009 1.00 0.00 H new ATOM 0 HB THR A 98 -13.947 3.115 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.059 3.362 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.477 5.021 -6.690 1.00 0.00 H new ATOM 0 HG22 THR A 98 -12.769 4.534 -6.792 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.907 4.061 -8.076 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.651 1.812 -9.082 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.820 1.446 -10.481 1.00 0.00 C ATOM 1239 C LYS A 99 -11.899 0.297 -10.854 1.00 0.00 C ATOM 1240 O LYS A 99 -11.949 -0.217 -11.970 1.00 0.00 O ATOM 1241 CB LYS A 99 -12.564 2.643 -11.384 1.00 0.00 C ATOM 1242 CG LYS A 99 -13.421 3.849 -11.049 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.896 3.548 -11.125 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.724 4.755 -10.729 1.00 0.00 C ATOM 1245 NZ LYS A 99 -15.518 5.900 -11.647 1.00 0.00 N ATOM 0 H LYS A 99 -11.888 2.467 -8.909 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.850 1.120 -10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.513 2.923 -11.313 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.747 2.353 -12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.176 4.197 -10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.183 4.662 -11.736 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.156 3.243 -12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.133 2.710 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.779 4.483 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.465 5.054 -9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.232 6.631 -11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.568 6.297 -11.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.609 5.577 -12.631 1.00 0.00 H new ATOM 1259 N SER A 100 -11.050 -0.089 -9.931 1.00 0.00 N ATOM 1260 CA SER A 100 -10.116 -1.160 -10.160 1.00 0.00 C ATOM 1261 C SER A 100 -10.835 -2.521 -9.996 1.00 0.00 C ATOM 1262 O SER A 100 -12.067 -2.553 -9.797 1.00 0.00 O ATOM 1263 CB SER A 100 -8.942 -1.009 -9.194 1.00 0.00 C ATOM 1264 OG SER A 100 -8.363 0.296 -9.317 1.00 0.00 O ATOM 0 H SER A 100 -10.989 0.331 -9.003 1.00 0.00 H new ATOM 0 HA SER A 100 -9.725 -1.119 -11.177 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.281 -1.169 -8.171 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.190 -1.770 -9.403 1.00 0.00 H new ATOM 0 HG SER A 100 -9.060 0.975 -9.200 1.00 0.00 H new ATOM 1270 N GLY A 101 -10.095 -3.617 -10.112 1.00 0.00 N ATOM 1271 CA GLY A 101 -10.668 -4.949 -9.993 1.00 0.00 C ATOM 1272 C GLY A 101 -11.396 -5.160 -8.679 1.00 0.00 C ATOM 1273 O GLY A 101 -12.623 -5.391 -8.653 1.00 0.00 O ATOM 0 H GLY A 101 -9.091 -3.607 -10.289 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.360 -5.117 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.875 -5.691 -10.087 1.00 0.00 H new ATOM 1277 N PHE A 102 -10.667 -5.101 -7.606 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.255 -5.224 -6.302 1.00 0.00 C ATOM 1279 C PHE A 102 -11.182 -3.910 -5.583 1.00 0.00 C ATOM 1280 O PHE A 102 -10.254 -3.136 -5.819 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.597 -6.341 -5.483 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.123 -6.174 -5.170 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.708 -5.692 -3.936 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.164 -6.546 -6.084 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.367 -5.589 -3.637 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -6.825 -6.435 -5.787 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.429 -5.959 -4.562 1.00 0.00 C ATOM 0 H PHE A 102 -9.656 -4.967 -7.606 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.302 -5.500 -6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.137 -6.436 -4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.727 -7.280 -6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.444 -5.395 -3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -8.466 -6.930 -7.047 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.056 -5.216 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.085 -6.723 -6.519 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.378 -5.877 -4.328 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.169 -3.634 -4.756 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.149 -2.417 -3.958 1.00 0.00 C ATOM 1299 C LYS A 103 -12.028 -2.786 -2.476 1.00 0.00 C ATOM 1300 O LYS A 103 -11.827 -1.936 -1.629 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.406 -1.521 -4.201 1.00 0.00 C ATOM 1302 CG LYS A 103 -14.660 -1.877 -3.383 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.215 -3.253 -3.690 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.293 -3.623 -2.692 1.00 0.00 C ATOM 1305 NZ LYS A 103 -16.956 -4.908 -3.016 1.00 0.00 N ATOM 0 H LYS A 103 -12.988 -4.226 -4.617 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.285 -1.828 -4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.137 -0.487 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.662 -1.569 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.419 -1.820 -2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.432 -1.132 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.625 -3.270 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.413 -3.991 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.854 -3.686 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.041 -2.831 -2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.684 -5.113 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.400 -4.843 -3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.250 -5.672 -3.019 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.171 -4.067 -2.191 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.130 -4.543 -0.842 1.00 0.00 C ATOM 1321 C GLY A 104 -10.861 -5.284 -0.561 1.00 0.00 C ATOM 1322 O GLY A 104 -10.613 -6.339 -1.140 1.00 0.00 O ATOM 0 H GLY A 104 -12.317 -4.794 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.221 -3.702 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.983 -5.197 -0.660 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.052 -4.729 0.295 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.793 -5.329 0.654 1.00 0.00 C ATOM 1328 C ILE A 105 -8.965 -6.089 1.915 1.00 0.00 C ATOM 1329 O ILE A 105 -9.307 -5.552 2.963 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.708 -4.233 0.811 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.577 -3.463 -0.491 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.369 -4.837 1.196 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.854 -2.148 -0.356 1.00 0.00 C ATOM 0 H ILE A 105 -10.245 -3.845 0.767 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.469 -6.012 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.012 -3.556 1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.050 -4.083 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.573 -3.279 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.628 -4.044 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.468 -5.366 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.049 -5.535 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.802 -1.660 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.391 -1.507 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.845 -2.324 0.016 1.00 0.00 H new ATOM 1345 N SER A 106 -8.794 -7.333 1.752 1.00 0.00 N ATOM 1346 CA SER A 106 -8.850 -8.296 2.756 1.00 0.00 C ATOM 1347 C SER A 106 -7.515 -8.488 3.506 1.00 0.00 C ATOM 1348 O SER A 106 -7.508 -8.903 4.662 1.00 0.00 O ATOM 1349 CB SER A 106 -9.343 -9.539 2.137 1.00 0.00 C ATOM 1350 OG SER A 106 -10.707 -9.448 1.755 1.00 0.00 O ATOM 0 H SER A 106 -8.595 -7.735 0.836 1.00 0.00 H new ATOM 0 HA SER A 106 -9.532 -7.966 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.738 -9.770 1.261 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.219 -10.365 2.837 1.00 0.00 H new ATOM 0 HG SER A 106 -10.803 -9.716 0.817 1.00 0.00 H new ATOM 1356 N SER A 107 -6.396 -8.257 2.832 1.00 0.00 N ATOM 1357 CA SER A 107 -5.096 -8.389 3.469 1.00 0.00 C ATOM 1358 C SER A 107 -4.077 -7.480 2.776 1.00 0.00 C ATOM 1359 O SER A 107 -4.259 -7.122 1.606 1.00 0.00 O ATOM 1360 CB SER A 107 -4.632 -9.865 3.490 1.00 0.00 C ATOM 1361 OG SER A 107 -4.462 -10.416 2.198 1.00 0.00 O ATOM 0 H SER A 107 -6.364 -7.979 1.851 1.00 0.00 H new ATOM 0 HA SER A 107 -5.180 -8.070 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.690 -9.935 4.034 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.362 -10.460 4.038 1.00 0.00 H new ATOM 0 HG SER A 107 -5.199 -11.032 2.005 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.030 -7.096 3.486 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.034 -6.167 2.967 1.00 0.00 C ATOM 1369 C ILE A 108 -0.652 -6.688 3.303 1.00 0.00 C ATOM 1370 O ILE A 108 -0.383 -7.011 4.455 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.173 -4.743 3.607 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.593 -4.210 3.451 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.173 -3.776 2.991 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.782 -2.837 4.023 1.00 0.00 C ATOM 0 H ILE A 108 -2.844 -7.417 4.436 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.187 -6.088 1.891 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.957 -4.832 4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.852 -4.193 2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.286 -4.896 3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.287 -2.794 3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.160 -4.141 3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.354 -3.699 1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.815 -2.521 3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.555 -2.852 5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.114 -2.138 3.520 1.00 0.00 H new ATOM 1386 N LYS A 109 0.222 -6.751 2.340 1.00 0.00 N ATOM 1387 CA LYS A 109 1.558 -7.214 2.599 1.00 0.00 C ATOM 1388 C LYS A 109 2.519 -6.080 2.302 1.00 0.00 C ATOM 1389 O LYS A 109 2.420 -5.429 1.262 1.00 0.00 O ATOM 1390 CB LYS A 109 1.913 -8.454 1.760 1.00 0.00 C ATOM 1391 CG LYS A 109 3.166 -9.183 2.258 1.00 0.00 C ATOM 1392 CD LYS A 109 3.647 -10.288 1.306 1.00 0.00 C ATOM 1393 CE LYS A 109 2.586 -11.302 1.012 1.00 0.00 C ATOM 1394 NZ LYS A 109 3.047 -12.362 0.106 1.00 0.00 N ATOM 0 H LYS A 109 0.037 -6.489 1.372 1.00 0.00 H new ATOM 0 HA LYS A 109 1.631 -7.514 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.070 -9.145 1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 109 2.064 -8.152 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.968 -8.458 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.959 -9.620 3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.981 -9.837 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.510 -10.789 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.249 -11.750 1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.724 -10.802 0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.273 -13.035 -0.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.343 -11.942 -0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.852 -12.861 0.536 1.00 0.00 H new ATOM 1408 N ARG A 110 3.408 -5.825 3.216 1.00 0.00 N ATOM 1409 CA ARG A 110 4.348 -4.751 3.079 1.00 0.00 C ATOM 1410 C ARG A 110 5.697 -5.309 2.656 1.00 0.00 C ATOM 1411 O ARG A 110 6.283 -6.143 3.356 1.00 0.00 O ATOM 1412 CB ARG A 110 4.486 -4.006 4.402 1.00 0.00 C ATOM 1413 CG ARG A 110 5.424 -2.811 4.358 1.00 0.00 C ATOM 1414 CD ARG A 110 5.692 -2.271 5.757 1.00 0.00 C ATOM 1415 NE ARG A 110 6.352 -3.271 6.611 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.136 -3.007 7.662 1.00 0.00 C ATOM 1417 NH1 ARG A 110 7.337 -1.748 8.064 1.00 0.00 N ATOM 1418 NH2 ARG A 110 7.701 -4.012 8.319 1.00 0.00 N ATOM 0 H ARG A 110 3.502 -6.358 4.081 1.00 0.00 H new ATOM 0 HA ARG A 110 3.991 -4.055 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.500 -3.666 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.841 -4.703 5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.365 -3.101 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.989 -2.026 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.318 -1.381 5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.751 -1.966 6.215 1.00 0.00 H new ATOM 0 HE ARG A 110 6.198 -4.253 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 110 6.890 -0.977 7.568 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.937 -1.559 8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.535 -4.973 8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.301 -3.823 9.122 1.00 0.00 H new ATOM 1432 N CYS A 111 6.180 -4.822 1.562 1.00 0.00 N ATOM 1433 CA CYS A 111 7.408 -5.262 0.977 1.00 0.00 C ATOM 1434 C CYS A 111 8.361 -4.089 0.904 1.00 0.00 C ATOM 1435 O CYS A 111 7.999 -2.957 1.243 1.00 0.00 O ATOM 1436 CB CYS A 111 7.132 -5.813 -0.421 1.00 0.00 C ATOM 1437 SG CYS A 111 5.881 -7.153 -0.496 1.00 0.00 S ATOM 0 H CYS A 111 5.718 -4.083 1.032 1.00 0.00 H new ATOM 0 HA CYS A 111 7.855 -6.051 1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.802 -4.993 -1.059 1.00 0.00 H new ATOM 0 HB3 CYS A 111 8.067 -6.186 -0.839 1.00 0.00 H new ATOM 1442 N ILE A 112 9.565 -4.354 0.538 1.00 0.00 N ATOM 1443 CA ILE A 112 10.563 -3.346 0.380 1.00 0.00 C ATOM 1444 C ILE A 112 11.201 -3.478 -0.985 1.00 0.00 C ATOM 1445 O ILE A 112 11.405 -4.580 -1.475 1.00 0.00 O ATOM 1446 CB ILE A 112 11.654 -3.429 1.467 1.00 0.00 C ATOM 1447 CG1 ILE A 112 12.125 -4.872 1.641 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.157 -2.851 2.787 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.455 -4.992 2.319 1.00 0.00 C ATOM 0 H ILE A 112 9.895 -5.297 0.335 1.00 0.00 H new ATOM 0 HA ILE A 112 10.072 -2.378 0.479 1.00 0.00 H new ATOM 0 HB ILE A 112 12.505 -2.829 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.381 -5.421 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.182 -5.347 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.946 -2.922 3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.884 -1.805 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.285 -3.412 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.724 -6.044 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.211 -4.472 1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.398 -4.547 3.312 1.00 0.00 H new ATOM 1461 N GLN A 113 11.494 -2.384 -1.592 1.00 0.00 N ATOM 1462 CA GLN A 113 12.098 -2.386 -2.894 1.00 0.00 C ATOM 1463 C GLN A 113 13.464 -1.783 -2.782 1.00 0.00 C ATOM 1464 O GLN A 113 13.610 -0.636 -2.361 1.00 0.00 O ATOM 1465 CB GLN A 113 11.241 -1.640 -3.916 1.00 0.00 C ATOM 1466 CG GLN A 113 11.754 -1.762 -5.344 1.00 0.00 C ATOM 1467 CD GLN A 113 10.788 -1.211 -6.369 1.00 0.00 C ATOM 1468 OE1 GLN A 113 10.040 -0.272 -6.107 1.00 0.00 O ATOM 1469 NE2 GLN A 113 10.786 -1.796 -7.529 1.00 0.00 N ATOM 0 H GLN A 113 11.325 -1.455 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 113 12.178 -3.412 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.221 -2.022 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.199 -0.586 -3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.704 -1.235 -5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 113 11.950 -2.811 -5.565 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.422 -2.573 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.149 -1.478 -8.259 1.00 0.00 H new ATOM 1478 N THR A 114 14.451 -2.542 -3.134 1.00 0.00 N ATOM 1479 CA THR A 114 15.817 -2.137 -2.961 1.00 0.00 C ATOM 1480 C THR A 114 16.227 -1.123 -4.042 1.00 0.00 C ATOM 1481 O THR A 114 15.440 -0.806 -4.958 1.00 0.00 O ATOM 1482 CB THR A 114 16.747 -3.367 -3.024 1.00 0.00 C ATOM 1483 OG1 THR A 114 16.725 -3.909 -4.343 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.276 -4.453 -2.061 1.00 0.00 C ATOM 0 H THR A 114 14.337 -3.465 -3.552 1.00 0.00 H new ATOM 0 HA THR A 114 15.910 -1.663 -1.984 1.00 0.00 H new ATOM 0 HB THR A 114 17.752 -3.047 -2.750 1.00 0.00 H new ATOM 0 HG1 THR A 114 15.910 -3.617 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.947 -5.310 -2.123 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.279 -4.063 -1.043 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.266 -4.763 -2.328 1.00 0.00 H new ATOM 1492 N LYS A 115 17.440 -0.599 -3.941 1.00 0.00 N ATOM 1493 CA LYS A 115 17.972 0.317 -4.938 1.00 0.00 C ATOM 1494 C LYS A 115 18.187 -0.442 -6.249 1.00 0.00 C ATOM 1495 O LYS A 115 18.221 0.135 -7.325 1.00 0.00 O ATOM 1496 CB LYS A 115 19.270 0.990 -4.438 1.00 0.00 C ATOM 1497 CG LYS A 115 19.845 2.048 -5.378 1.00 0.00 C ATOM 1498 CD LYS A 115 18.832 3.146 -5.656 1.00 0.00 C ATOM 1499 CE LYS A 115 19.390 4.207 -6.588 1.00 0.00 C ATOM 1500 NZ LYS A 115 18.385 5.254 -6.876 1.00 0.00 N ATOM 0 H LYS A 115 18.079 -0.795 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 115 17.257 1.120 -5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 115 19.074 1.452 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.024 0.219 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 115 20.743 2.481 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.145 1.580 -6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.936 2.710 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.532 3.610 -4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 115 20.273 4.661 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.711 3.742 -7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.797 5.964 -7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.554 4.822 -7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.098 5.713 -5.988 1.00 0.00 H new ATOM 1514 N ASP A 116 18.280 -1.753 -6.128 1.00 0.00 N ATOM 1515 CA ASP A 116 18.425 -2.649 -7.265 1.00 0.00 C ATOM 1516 C ASP A 116 17.074 -2.843 -7.974 1.00 0.00 C ATOM 1517 O ASP A 116 16.999 -3.352 -9.089 1.00 0.00 O ATOM 1518 CB ASP A 116 18.933 -3.987 -6.730 1.00 0.00 C ATOM 1519 CG ASP A 116 18.933 -5.108 -7.733 1.00 0.00 C ATOM 1520 OD1 ASP A 116 19.885 -5.220 -8.517 1.00 0.00 O ATOM 1521 OD2 ASP A 116 17.995 -5.927 -7.696 1.00 0.00 O ATOM 0 H ASP A 116 18.257 -2.233 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 116 19.123 -2.232 -7.990 1.00 0.00 H new ATOM 0 HB2 ASP A 116 19.948 -3.852 -6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 116 18.318 -4.279 -5.879 1.00 0.00 H new ATOM 1526 N GLY A 117 16.024 -2.361 -7.356 1.00 0.00 N ATOM 1527 CA GLY A 117 14.719 -2.414 -7.959 1.00 0.00 C ATOM 1528 C GLY A 117 13.946 -3.659 -7.595 1.00 0.00 C ATOM 1529 O GLY A 117 12.748 -3.746 -7.878 1.00 0.00 O ATOM 0 H GLY A 117 16.050 -1.927 -6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.148 -1.537 -7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.824 -2.363 -9.043 1.00 0.00 H new ATOM 1533 N LYS A 118 14.599 -4.614 -6.959 1.00 0.00 N ATOM 1534 CA LYS A 118 13.922 -5.837 -6.573 1.00 0.00 C ATOM 1535 C LYS A 118 13.013 -5.581 -5.381 1.00 0.00 C ATOM 1536 O LYS A 118 13.361 -4.799 -4.485 1.00 0.00 O ATOM 1537 CB LYS A 118 14.901 -6.991 -6.271 1.00 0.00 C ATOM 1538 CG LYS A 118 15.839 -6.772 -5.110 1.00 0.00 C ATOM 1539 CD LYS A 118 16.497 -8.078 -4.655 1.00 0.00 C ATOM 1540 CE LYS A 118 17.337 -8.765 -5.737 1.00 0.00 C ATOM 1541 NZ LYS A 118 18.523 -7.980 -6.144 1.00 0.00 N ATOM 0 H LYS A 118 15.585 -4.568 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 118 13.320 -6.152 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.321 -7.893 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.497 -7.179 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.610 -6.057 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.290 -6.332 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.132 -7.872 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 118 15.721 -8.766 -4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 118 17.663 -9.739 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 118 16.712 -8.946 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 19.336 -8.617 -6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.326 -7.495 -7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.741 -7.276 -5.411 1.00 0.00 H new ATOM 1555 N VAL A 119 11.857 -6.203 -5.379 1.00 0.00 N ATOM 1556 CA VAL A 119 10.920 -6.035 -4.296 1.00 0.00 C ATOM 1557 C VAL A 119 10.919 -7.292 -3.467 1.00 0.00 C ATOM 1558 O VAL A 119 10.445 -8.351 -3.898 1.00 0.00 O ATOM 1559 CB VAL A 119 9.466 -5.747 -4.775 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.555 -5.432 -3.589 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.430 -4.608 -5.778 1.00 0.00 C ATOM 0 H VAL A 119 11.543 -6.832 -6.118 1.00 0.00 H new ATOM 0 HA VAL A 119 11.242 -5.167 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 119 9.100 -6.647 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.545 -5.234 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.538 -6.283 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 119 8.932 -4.554 -3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.401 -4.432 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 119 9.828 -3.704 -5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 119 10.035 -4.869 -6.646 1.00 0.00 H new ATOM 1571 N GLU A 120 11.418 -7.167 -2.295 1.00 0.00 N ATOM 1572 CA GLU A 120 11.532 -8.254 -1.386 1.00 0.00 C ATOM 1573 C GLU A 120 10.479 -8.073 -0.330 1.00 0.00 C ATOM 1574 O GLU A 120 10.119 -6.947 -0.013 1.00 0.00 O ATOM 1575 CB GLU A 120 12.927 -8.248 -0.769 1.00 0.00 C ATOM 1576 CG GLU A 120 14.044 -8.366 -1.798 1.00 0.00 C ATOM 1577 CD GLU A 120 14.002 -9.677 -2.547 1.00 0.00 C ATOM 1578 OE1 GLU A 120 13.396 -9.753 -3.643 1.00 0.00 O ATOM 1579 OE2 GLU A 120 14.560 -10.666 -2.042 1.00 0.00 O ATOM 0 H GLU A 120 11.770 -6.283 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 120 11.389 -9.210 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 120 13.061 -7.327 -0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.007 -9.073 -0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.968 -7.543 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.007 -8.268 -1.297 1.00 0.00 H new ATOM 1586 N CYS A 121 9.966 -9.129 0.193 1.00 0.00 N ATOM 1587 CA CYS A 121 8.933 -8.999 1.168 1.00 0.00 C ATOM 1588 C CYS A 121 9.261 -9.829 2.347 1.00 0.00 C ATOM 1589 O CYS A 121 10.009 -10.816 2.234 1.00 0.00 O ATOM 1590 CB CYS A 121 7.593 -9.402 0.592 1.00 0.00 C ATOM 1591 SG CYS A 121 6.254 -8.316 1.123 1.00 0.00 S ATOM 0 H CYS A 121 10.238 -10.086 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 121 8.864 -7.954 1.471 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.652 -9.394 -0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.366 -10.425 0.891 1.00 0.00 H new