USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 803 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 75 ASN : amide:sc= -0.108 X(o=-1.6,f=-1.6) USER MOD Set 1.2: A 90 MET CE :methyl -145:sc= -1.52 (180deg=-2.07!) USER MOD Single : A 14 TYR OH : rot 30:sc= -0.71 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.0782 (180deg=-1.41) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 53 HIS : no HE2:sc= -2.64 K(o=-2.6,f=-4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.575 K(o=-0.58,f=-2.6) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc=-0.000854 K(o=-0.00085,f=-2.3!) USER MOD Single : A 59 MET CE :methyl 168:sc= -3.79! (180deg=-4.26!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -130:sc= -0.858 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -155:sc=-0.00377 (180deg=-0.417) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -2.56! K(o=-2.6!,f=-1.6) USER MOD Single : A 71 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 72 TYR OH : rot -72:sc= 0.077 USER MOD Single : A 73 LYS NZ :NH3+ -115:sc= -0.877 (180deg=-1.68!) USER MOD Single : A 79 LYS NZ :NH3+ -120:sc= 0.0864 (180deg=-0.142) USER MOD Single : A 83 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.16) USER MOD Single : A 91 LYS NZ :NH3+ -119:sc= 0.0127 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0458 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 10 -10.295 10.815 11.103 1.00 0.00 N ATOM 102 CA LEU A 10 -8.876 11.111 10.933 1.00 0.00 C ATOM 103 C LEU A 10 -8.263 10.231 9.848 1.00 0.00 C ATOM 104 O LEU A 10 -8.897 9.294 9.362 1.00 0.00 O ATOM 105 CB LEU A 10 -8.131 10.905 12.253 1.00 0.00 C ATOM 106 CG LEU A 10 -8.013 12.134 13.155 1.00 0.00 C ATOM 107 CD1 LEU A 10 -9.382 12.552 13.669 1.00 0.00 C ATOM 108 CD2 LEU A 10 -7.069 11.855 14.316 1.00 0.00 C ATOM 0 HA LEU A 10 -8.781 12.153 10.627 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.634 10.116 12.812 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.127 10.546 12.028 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.602 12.954 12.567 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.278 13.428 14.309 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.029 12.793 12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.821 11.735 14.241 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.997 12.741 14.947 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.452 11.020 14.904 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.081 11.604 13.930 1.00 0.00 H new ATOM 120 N LEU A 11 -7.027 10.539 9.473 1.00 0.00 N ATOM 121 CA LEU A 11 -6.326 9.776 8.446 1.00 0.00 C ATOM 122 C LEU A 11 -5.665 8.538 9.044 1.00 0.00 C ATOM 123 O LEU A 11 -6.103 7.412 8.805 1.00 0.00 O ATOM 124 CB LEU A 11 -5.273 10.650 7.762 1.00 0.00 C ATOM 125 CG LEU A 11 -4.189 9.907 6.981 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.812 9.026 5.909 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.209 10.892 6.360 1.00 0.00 C ATOM 0 H LEU A 11 -6.489 11.312 9.865 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.058 9.453 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.782 11.331 7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.789 11.263 8.522 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.642 9.269 7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.025 8.505 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.473 8.297 6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.385 9.644 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.444 10.345 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.742 11.556 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.737 11.481 7.147 1.00 0.00 H new ATOM 139 N TRP A 12 -4.612 8.753 9.823 1.00 0.00 N ATOM 140 CA TRP A 12 -3.892 7.655 10.457 1.00 0.00 C ATOM 141 C TRP A 12 -4.842 6.518 10.817 1.00 0.00 C ATOM 142 O TRP A 12 -4.517 5.344 10.636 1.00 0.00 O ATOM 143 CB TRP A 12 -3.169 8.148 11.711 1.00 0.00 C ATOM 144 CG TRP A 12 -4.000 8.047 12.954 1.00 0.00 C ATOM 145 CD1 TRP A 12 -4.747 9.038 13.524 1.00 0.00 C ATOM 146 CD2 TRP A 12 -4.166 6.891 13.782 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.367 8.568 14.656 1.00 0.00 N ATOM 148 CE2 TRP A 12 -5.028 7.253 14.835 1.00 0.00 C ATOM 149 CE3 TRP A 12 -3.673 5.584 13.735 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.404 6.356 15.831 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -4.047 4.695 14.724 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.906 5.083 15.760 1.00 0.00 C ATOM 0 H TRP A 12 -4.237 9.679 10.031 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.156 7.278 9.747 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.255 7.570 11.846 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.871 9.186 11.565 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.837 10.044 13.141 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.980 9.110 15.265 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.011 5.275 12.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.065 6.654 16.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.670 3.683 14.698 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -5.181 4.364 16.517 1.00 0.00 H new ATOM 163 N ASP A 13 -6.017 6.873 11.326 1.00 0.00 N ATOM 164 CA ASP A 13 -7.015 5.881 11.710 1.00 0.00 C ATOM 165 C ASP A 13 -7.722 5.318 10.481 1.00 0.00 C ATOM 166 O ASP A 13 -7.920 4.108 10.367 1.00 0.00 O ATOM 167 CB ASP A 13 -8.038 6.500 12.664 1.00 0.00 C ATOM 168 CG ASP A 13 -9.040 5.484 13.176 1.00 0.00 C ATOM 169 OD1 ASP A 13 -8.651 4.313 13.372 1.00 0.00 O ATOM 170 OD2 ASP A 13 -10.213 5.859 13.381 1.00 0.00 O ATOM 0 H ASP A 13 -6.302 7.840 11.482 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.503 5.064 12.218 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.517 6.950 13.509 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.568 7.303 12.152 1.00 0.00 H new ATOM 175 N TYR A 14 -8.100 6.202 9.565 1.00 0.00 N ATOM 176 CA TYR A 14 -8.789 5.794 8.347 1.00 0.00 C ATOM 177 C TYR A 14 -8.193 4.503 7.791 1.00 0.00 C ATOM 178 O TYR A 14 -8.865 3.747 7.090 1.00 0.00 O ATOM 179 CB TYR A 14 -8.707 6.901 7.294 1.00 0.00 C ATOM 180 CG TYR A 14 -9.085 6.443 5.904 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.417 6.303 5.535 1.00 0.00 C ATOM 182 CD2 TYR A 14 -8.109 6.149 4.959 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.767 5.885 4.266 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.450 5.731 3.687 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.780 5.600 3.345 1.00 0.00 C ATOM 186 OH TYR A 14 -10.123 5.183 2.080 1.00 0.00 O ATOM 0 H TYR A 14 -7.941 7.206 9.643 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.835 5.614 8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.363 7.720 7.588 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.692 7.297 7.273 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.193 6.525 6.253 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.067 6.249 5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.808 5.782 3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.679 5.508 2.964 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.986 5.573 1.830 1.00 0.00 H new ATOM 196 N VAL A 15 -6.926 4.259 8.111 1.00 0.00 N ATOM 197 CA VAL A 15 -6.239 3.060 7.646 1.00 0.00 C ATOM 198 C VAL A 15 -6.969 1.799 8.095 1.00 0.00 C ATOM 199 O VAL A 15 -7.508 1.056 7.275 1.00 0.00 O ATOM 200 CB VAL A 15 -4.788 3.010 8.160 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.095 1.743 7.683 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.022 4.247 7.714 1.00 0.00 C ATOM 0 H VAL A 15 -6.355 4.875 8.690 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.230 3.103 6.557 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.808 2.996 9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.071 1.726 8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.632 0.872 8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.084 1.722 6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.999 4.195 8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.010 4.295 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.508 5.138 8.111 1.00 0.00 H new ATOM 212 N TYR A 16 -6.982 1.563 9.403 1.00 0.00 N ATOM 213 CA TYR A 16 -7.644 0.391 9.961 1.00 0.00 C ATOM 214 C TYR A 16 -8.960 0.113 9.241 1.00 0.00 C ATOM 215 O TYR A 16 -9.140 -0.948 8.645 1.00 0.00 O ATOM 216 CB TYR A 16 -7.900 0.588 11.457 1.00 0.00 C ATOM 217 CG TYR A 16 -8.083 -0.707 12.215 1.00 0.00 C ATOM 218 CD1 TYR A 16 -7.056 -1.639 12.296 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.284 -0.999 12.851 1.00 0.00 C ATOM 220 CE1 TYR A 16 -7.218 -2.824 12.988 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.455 -2.180 13.546 1.00 0.00 C ATOM 222 CZ TYR A 16 -8.420 -3.090 13.611 1.00 0.00 C ATOM 223 OH TYR A 16 -8.587 -4.268 14.301 1.00 0.00 O ATOM 0 H TYR A 16 -6.541 2.168 10.096 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.986 -0.467 9.821 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.065 1.138 11.891 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.790 1.204 11.587 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.114 -1.434 11.809 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.097 -0.290 12.801 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.409 -3.537 13.041 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.394 -2.390 14.036 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.490 -4.299 14.681 1.00 0.00 H new ATOM 233 N GLN A 17 -9.874 1.076 9.301 1.00 0.00 N ATOM 234 CA GLN A 17 -11.173 0.935 8.654 1.00 0.00 C ATOM 235 C GLN A 17 -11.051 0.156 7.349 1.00 0.00 C ATOM 236 O GLN A 17 -11.900 -0.676 7.028 1.00 0.00 O ATOM 237 CB GLN A 17 -11.784 2.312 8.385 1.00 0.00 C ATOM 238 CG GLN A 17 -11.969 3.151 9.639 1.00 0.00 C ATOM 239 CD GLN A 17 -13.139 4.109 9.532 1.00 0.00 C ATOM 240 OE1 GLN A 17 -14.227 3.837 10.042 1.00 0.00 O ATOM 241 NE2 GLN A 17 -12.922 5.238 8.868 1.00 0.00 N ATOM 0 H GLN A 17 -9.739 1.961 9.790 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.827 0.380 9.326 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.146 2.853 7.687 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.751 2.183 7.899 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.121 2.492 10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.057 3.717 9.831 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.005 5.422 8.462 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.672 5.921 8.764 1.00 0.00 H new ATOM 250 N LEU A 18 -9.989 0.431 6.599 1.00 0.00 N ATOM 251 CA LEU A 18 -9.755 -0.244 5.327 1.00 0.00 C ATOM 252 C LEU A 18 -9.264 -1.670 5.551 1.00 0.00 C ATOM 253 O LEU A 18 -9.895 -2.632 5.109 1.00 0.00 O ATOM 254 CB LEU A 18 -8.735 0.535 4.494 1.00 0.00 C ATOM 255 CG LEU A 18 -9.091 1.990 4.186 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.903 2.709 3.566 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.300 2.059 3.264 1.00 0.00 C ATOM 0 H LEU A 18 -9.277 1.117 6.850 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.700 -0.286 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.779 0.519 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.590 0.010 3.550 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.344 2.489 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.174 3.743 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.063 2.690 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.619 2.210 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.539 3.102 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.075 1.544 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.153 1.580 3.746 1.00 0.00 H new ATOM 269 N LEU A 19 -8.135 -1.801 6.239 1.00 0.00 N ATOM 270 CA LEU A 19 -7.560 -3.111 6.524 1.00 0.00 C ATOM 271 C LEU A 19 -8.653 -4.138 6.797 1.00 0.00 C ATOM 272 O LEU A 19 -8.669 -5.216 6.201 1.00 0.00 O ATOM 273 CB LEU A 19 -6.614 -3.025 7.723 1.00 0.00 C ATOM 274 CG LEU A 19 -5.152 -2.709 7.404 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.655 -3.583 6.264 1.00 0.00 C ATOM 276 CD2 LEU A 19 -4.987 -1.236 7.061 1.00 0.00 C ATOM 0 H LEU A 19 -7.600 -1.016 6.610 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.997 -3.431 5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.990 -2.260 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.651 -3.974 8.258 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.552 -2.924 8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.613 -3.345 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.736 -4.632 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.259 -3.400 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.940 -1.030 6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.599 -0.994 6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.303 -0.627 7.908 1.00 0.00 H new ATOM 288 N SER A 20 -9.567 -3.797 7.700 1.00 0.00 N ATOM 289 CA SER A 20 -10.664 -4.691 8.053 1.00 0.00 C ATOM 290 C SER A 20 -11.416 -5.147 6.806 1.00 0.00 C ATOM 291 O SER A 20 -11.693 -6.334 6.635 1.00 0.00 O ATOM 292 CB SER A 20 -11.627 -3.995 9.017 1.00 0.00 C ATOM 293 OG SER A 20 -12.765 -4.799 9.271 1.00 0.00 O ATOM 0 H SER A 20 -9.570 -2.908 8.200 1.00 0.00 H new ATOM 0 HA SER A 20 -10.242 -5.568 8.543 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.115 -3.778 9.954 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.940 -3.039 8.596 1.00 0.00 H new ATOM 0 HG SER A 20 -13.364 -4.332 9.891 1.00 0.00 H new ATOM 299 N ASP A 21 -11.743 -4.195 5.939 1.00 0.00 N ATOM 300 CA ASP A 21 -12.463 -4.497 4.707 1.00 0.00 C ATOM 301 C ASP A 21 -11.521 -5.076 3.656 1.00 0.00 C ATOM 302 O ASP A 21 -10.650 -4.378 3.137 1.00 0.00 O ATOM 303 CB ASP A 21 -13.140 -3.237 4.165 1.00 0.00 C ATOM 304 CG ASP A 21 -14.410 -3.547 3.398 1.00 0.00 C ATOM 305 OD1 ASP A 21 -15.339 -4.126 3.999 1.00 0.00 O ATOM 306 OD2 ASP A 21 -14.475 -3.212 2.196 1.00 0.00 O ATOM 0 H ASP A 21 -11.521 -3.208 6.066 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.227 -5.241 4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.373 -2.568 4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.446 -2.707 3.513 1.00 0.00 H new ATOM 311 N SER A 22 -11.701 -6.357 3.349 1.00 0.00 N ATOM 312 CA SER A 22 -10.864 -7.031 2.364 1.00 0.00 C ATOM 313 C SER A 22 -10.972 -6.351 1.002 1.00 0.00 C ATOM 314 O SER A 22 -9.973 -6.166 0.307 1.00 0.00 O ATOM 315 CB SER A 22 -11.265 -8.503 2.245 1.00 0.00 C ATOM 316 OG SER A 22 -12.592 -8.633 1.764 1.00 0.00 O ATOM 0 H SER A 22 -12.419 -6.948 3.768 1.00 0.00 H new ATOM 0 HA SER A 22 -9.829 -6.969 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.579 -9.017 1.572 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.179 -8.987 3.218 1.00 0.00 H new ATOM 0 HG SER A 22 -12.823 -9.583 1.695 1.00 0.00 H new ATOM 322 N ARG A 23 -12.192 -5.981 0.628 1.00 0.00 N ATOM 323 CA ARG A 23 -12.433 -5.323 -0.651 1.00 0.00 C ATOM 324 C ARG A 23 -11.349 -4.289 -0.942 1.00 0.00 C ATOM 325 O ARG A 23 -11.049 -3.999 -2.100 1.00 0.00 O ATOM 326 CB ARG A 23 -13.807 -4.651 -0.652 1.00 0.00 C ATOM 327 CG ARG A 23 -14.965 -5.633 -0.716 1.00 0.00 C ATOM 328 CD ARG A 23 -16.241 -5.027 -0.152 1.00 0.00 C ATOM 329 NE ARG A 23 -16.602 -3.784 -0.829 1.00 0.00 N ATOM 330 CZ ARG A 23 -17.226 -3.740 -2.001 1.00 0.00 C ATOM 331 NH1 ARG A 23 -17.556 -4.863 -2.623 1.00 0.00 N ATOM 332 NH2 ARG A 23 -17.521 -2.570 -2.553 1.00 0.00 N ATOM 0 H ARG A 23 -13.029 -6.126 1.192 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.407 -6.082 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.906 -4.044 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.870 -3.972 -1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.131 -5.935 -1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.711 -6.534 -0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.057 -5.743 -0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.111 -4.835 0.913 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.362 -2.902 -0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.331 -5.764 -2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.035 -4.826 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.269 -1.704 -2.077 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.000 -2.537 -3.453 1.00 0.00 H new ATOM 346 N TYR A 24 -10.766 -3.737 0.116 1.00 0.00 N ATOM 347 CA TYR A 24 -9.717 -2.734 -0.026 1.00 0.00 C ATOM 348 C TYR A 24 -8.339 -3.353 0.181 1.00 0.00 C ATOM 349 O TYR A 24 -7.439 -2.721 0.733 1.00 0.00 O ATOM 350 CB TYR A 24 -9.933 -1.596 0.973 1.00 0.00 C ATOM 351 CG TYR A 24 -11.247 -0.870 0.791 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.457 -1.528 0.976 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.279 0.472 0.433 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.660 -0.869 0.811 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.477 1.138 0.266 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.665 0.463 0.456 1.00 0.00 C ATOM 357 OH TYR A 24 -14.861 1.123 0.289 1.00 0.00 O ATOM 0 H TYR A 24 -11.002 -3.967 1.081 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.766 -2.334 -1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.887 -1.999 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.116 -0.881 0.878 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.457 -2.572 1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.351 1.003 0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.592 -1.395 0.959 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.484 2.182 -0.012 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.688 2.055 0.040 1.00 0.00 H new ATOM 367 N GLU A 25 -8.182 -4.595 -0.268 1.00 0.00 N ATOM 368 CA GLU A 25 -6.913 -5.301 -0.132 1.00 0.00 C ATOM 369 C GLU A 25 -5.904 -4.810 -1.167 1.00 0.00 C ATOM 370 O GLU A 25 -4.800 -4.390 -0.822 1.00 0.00 O ATOM 371 CB GLU A 25 -7.124 -6.809 -0.284 1.00 0.00 C ATOM 372 CG GLU A 25 -7.422 -7.517 1.027 1.00 0.00 C ATOM 373 CD GLU A 25 -7.855 -8.956 0.827 1.00 0.00 C ATOM 374 OE1 GLU A 25 -8.813 -9.186 0.059 1.00 0.00 O ATOM 375 OE2 GLU A 25 -7.237 -9.852 1.439 1.00 0.00 O ATOM 0 H GLU A 25 -8.917 -5.132 -0.728 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.517 -5.096 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.947 -6.984 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.232 -7.249 -0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.534 -7.493 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.205 -6.976 1.558 1.00 0.00 H new ATOM 382 N ASN A 26 -6.292 -4.868 -2.437 1.00 0.00 N ATOM 383 CA ASN A 26 -5.422 -4.431 -3.522 1.00 0.00 C ATOM 384 C ASN A 26 -4.824 -3.060 -3.222 1.00 0.00 C ATOM 385 O ASN A 26 -3.737 -2.728 -3.696 1.00 0.00 O ATOM 386 CB ASN A 26 -6.200 -4.384 -4.839 1.00 0.00 C ATOM 387 CG ASN A 26 -7.039 -5.627 -5.060 1.00 0.00 C ATOM 388 OD1 ASN A 26 -6.611 -6.741 -4.756 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.241 -5.442 -5.593 1.00 0.00 N ATOM 0 H ASN A 26 -7.203 -5.213 -2.740 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.608 -5.150 -3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.847 -3.507 -4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.500 -4.269 -5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.851 -6.241 -5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.555 -4.501 -5.829 1.00 0.00 H new ATOM 396 N PHE A 27 -5.541 -2.268 -2.431 1.00 0.00 N ATOM 397 CA PHE A 27 -5.081 -0.933 -2.068 1.00 0.00 C ATOM 398 C PHE A 27 -4.162 -0.987 -0.851 1.00 0.00 C ATOM 399 O PHE A 27 -3.124 -0.325 -0.814 1.00 0.00 O ATOM 400 CB PHE A 27 -6.275 -0.021 -1.779 1.00 0.00 C ATOM 401 CG PHE A 27 -7.055 0.352 -3.008 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.430 0.965 -4.082 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.414 0.091 -3.088 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.145 1.309 -5.214 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.133 0.432 -4.217 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.498 1.043 -5.281 1.00 0.00 C ATOM 0 H PHE A 27 -6.442 -2.528 -2.030 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.518 -0.528 -2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.940 -0.519 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.919 0.888 -1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.372 1.176 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.916 -0.384 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.646 1.785 -6.045 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.191 0.221 -4.268 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.059 1.312 -6.164 1.00 0.00 H new ATOM 416 N ILE A 28 -4.552 -1.778 0.143 1.00 0.00 N ATOM 417 CA ILE A 28 -3.764 -1.918 1.361 1.00 0.00 C ATOM 418 C ILE A 28 -4.097 -3.219 2.084 1.00 0.00 C ATOM 419 O ILE A 28 -5.263 -3.519 2.339 1.00 0.00 O ATOM 420 CB ILE A 28 -3.996 -0.737 2.321 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.101 -0.870 3.555 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.460 -0.664 2.728 1.00 0.00 C ATOM 423 CD1 ILE A 28 -2.956 0.415 4.339 1.00 0.00 C ATOM 0 H ILE A 28 -5.409 -2.331 0.129 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.717 -1.930 1.059 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.736 0.187 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.510 -1.640 4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.113 -1.209 3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.608 0.176 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.078 -0.526 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.745 -1.589 3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.308 0.245 5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.518 1.183 3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.937 0.744 4.683 1.00 0.00 H new ATOM 435 N ARG A 29 -3.063 -3.987 2.414 1.00 0.00 N ATOM 436 CA ARG A 29 -3.246 -5.256 3.109 1.00 0.00 C ATOM 437 C ARG A 29 -2.286 -5.372 4.289 1.00 0.00 C ATOM 438 O ARG A 29 -1.408 -4.529 4.473 1.00 0.00 O ATOM 439 CB ARG A 29 -3.031 -6.425 2.146 1.00 0.00 C ATOM 440 CG ARG A 29 -1.689 -6.387 1.433 1.00 0.00 C ATOM 441 CD ARG A 29 -1.688 -7.278 0.200 1.00 0.00 C ATOM 442 NE ARG A 29 -1.562 -8.691 0.546 1.00 0.00 N ATOM 443 CZ ARG A 29 -0.407 -9.276 0.844 1.00 0.00 C ATOM 444 NH1 ARG A 29 0.716 -8.572 0.838 1.00 0.00 N ATOM 445 NH2 ARG A 29 -0.374 -10.567 1.149 1.00 0.00 N ATOM 0 H ARG A 29 -2.091 -3.753 2.211 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.267 -5.290 3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.113 -7.360 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.828 -6.424 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.459 -5.362 1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.903 -6.709 2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.610 -7.123 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.865 -6.990 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.408 -9.261 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.694 -7.579 0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.602 -9.023 1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.236 -11.112 1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.514 -11.015 1.378 1.00 0.00 H new ATOM 459 N TRP A 30 -2.461 -6.420 5.086 1.00 0.00 N ATOM 460 CA TRP A 30 -1.611 -6.646 6.249 1.00 0.00 C ATOM 461 C TRP A 30 -0.327 -7.368 5.853 1.00 0.00 C ATOM 462 O TRP A 30 -0.368 -8.475 5.318 1.00 0.00 O ATOM 463 CB TRP A 30 -2.362 -7.458 7.306 1.00 0.00 C ATOM 464 CG TRP A 30 -3.350 -6.645 8.087 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.710 -6.775 8.074 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.055 -5.577 8.994 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.278 -5.852 8.918 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.284 -5.106 9.495 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.873 -4.975 9.433 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.362 -4.060 10.411 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -1.952 -3.937 10.341 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.189 -3.489 10.823 1.00 0.00 C ATOM 0 H TRP A 30 -3.184 -7.126 4.948 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.346 -5.675 6.668 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.884 -8.281 6.818 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.641 -7.900 7.994 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.258 -7.497 7.487 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.278 -5.740 9.088 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.915 -5.315 9.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.314 -3.712 10.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.045 -3.463 10.685 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.217 -2.677 11.534 1.00 0.00 H new ATOM 483 N GLU A 31 0.810 -6.734 6.121 1.00 0.00 N ATOM 484 CA GLU A 31 2.105 -7.318 5.791 1.00 0.00 C ATOM 485 C GLU A 31 2.492 -8.392 6.804 1.00 0.00 C ATOM 486 O GLU A 31 2.744 -9.541 6.441 1.00 0.00 O ATOM 487 CB GLU A 31 3.182 -6.232 5.746 1.00 0.00 C ATOM 488 CG GLU A 31 2.869 -5.104 4.777 1.00 0.00 C ATOM 489 CD GLU A 31 3.098 -5.497 3.331 1.00 0.00 C ATOM 490 OE1 GLU A 31 2.411 -6.424 2.853 1.00 0.00 O ATOM 491 OE2 GLU A 31 3.964 -4.879 2.677 1.00 0.00 O ATOM 0 H GLU A 31 0.861 -5.817 6.565 1.00 0.00 H new ATOM 0 HA GLU A 31 2.026 -7.782 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.309 -5.816 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.133 -6.686 5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.831 -4.797 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.489 -4.241 5.018 1.00 0.00 H new ATOM 498 N ASP A 32 2.536 -8.009 8.076 1.00 0.00 N ATOM 499 CA ASP A 32 2.891 -8.937 9.142 1.00 0.00 C ATOM 500 C ASP A 32 1.939 -8.796 10.325 1.00 0.00 C ATOM 501 O ASP A 32 2.230 -8.089 11.290 1.00 0.00 O ATOM 502 CB ASP A 32 4.331 -8.696 9.599 1.00 0.00 C ATOM 503 CG ASP A 32 5.341 -9.435 8.743 1.00 0.00 C ATOM 504 OD1 ASP A 32 5.608 -8.977 7.612 1.00 0.00 O ATOM 505 OD2 ASP A 32 5.866 -10.470 9.204 1.00 0.00 O ATOM 0 H ASP A 32 2.330 -7.062 8.393 1.00 0.00 H new ATOM 0 HA ASP A 32 2.807 -9.951 8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.545 -7.628 9.568 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.438 -9.012 10.637 1.00 0.00 H new ATOM 510 N LYS A 33 0.798 -9.473 10.244 1.00 0.00 N ATOM 511 CA LYS A 33 -0.199 -9.424 11.307 1.00 0.00 C ATOM 512 C LYS A 33 0.454 -9.609 12.673 1.00 0.00 C ATOM 513 O LYS A 33 -0.018 -9.070 13.674 1.00 0.00 O ATOM 514 CB LYS A 33 -1.262 -10.502 11.087 1.00 0.00 C ATOM 515 CG LYS A 33 -2.408 -10.053 10.198 1.00 0.00 C ATOM 516 CD LYS A 33 -3.527 -9.419 11.007 1.00 0.00 C ATOM 517 CE LYS A 33 -4.874 -9.581 10.319 1.00 0.00 C ATOM 518 NZ LYS A 33 -6.006 -9.424 11.273 1.00 0.00 N ATOM 0 H LYS A 33 0.541 -10.063 9.452 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.675 -8.444 11.281 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.791 -11.379 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.662 -10.809 12.054 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.040 -9.338 9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.797 -10.908 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.565 -9.875 11.996 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.317 -8.359 11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.966 -8.843 9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.927 -10.564 9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.906 -9.541 10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.933 -10.144 12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.971 -8.477 11.701 1.00 0.00 H new ATOM 532 N GLU A 34 1.541 -10.374 12.706 1.00 0.00 N ATOM 533 CA GLU A 34 2.257 -10.628 13.951 1.00 0.00 C ATOM 534 C GLU A 34 2.458 -9.336 14.737 1.00 0.00 C ATOM 535 O GLU A 34 2.223 -9.290 15.945 1.00 0.00 O ATOM 536 CB GLU A 34 3.612 -11.277 13.661 1.00 0.00 C ATOM 537 CG GLU A 34 3.505 -12.650 13.018 1.00 0.00 C ATOM 538 CD GLU A 34 4.835 -13.376 12.967 1.00 0.00 C ATOM 539 OE1 GLU A 34 5.187 -14.041 13.964 1.00 0.00 O ATOM 540 OE2 GLU A 34 5.524 -13.279 11.930 1.00 0.00 O ATOM 0 H GLU A 34 1.944 -10.828 11.886 1.00 0.00 H new ATOM 0 HA GLU A 34 1.656 -11.309 14.554 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.186 -10.622 13.006 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.170 -11.364 14.593 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.788 -13.253 13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.114 -12.544 12.006 1.00 0.00 H new ATOM 547 N SER A 35 2.893 -8.289 14.044 1.00 0.00 N ATOM 548 CA SER A 35 3.130 -6.998 14.677 1.00 0.00 C ATOM 549 C SER A 35 2.246 -5.919 14.058 1.00 0.00 C ATOM 550 O SER A 35 2.639 -4.756 13.963 1.00 0.00 O ATOM 551 CB SER A 35 4.602 -6.604 14.547 1.00 0.00 C ATOM 552 OG SER A 35 5.402 -7.300 15.487 1.00 0.00 O ATOM 0 H SER A 35 3.089 -8.310 13.043 1.00 0.00 H new ATOM 0 HA SER A 35 2.878 -7.088 15.734 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.951 -6.820 13.537 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.709 -5.530 14.699 1.00 0.00 H new ATOM 0 HG SER A 35 6.339 -7.031 15.382 1.00 0.00 H new ATOM 558 N LYS A 36 1.050 -6.313 13.636 1.00 0.00 N ATOM 559 CA LYS A 36 0.107 -5.382 13.027 1.00 0.00 C ATOM 560 C LYS A 36 0.816 -4.457 12.043 1.00 0.00 C ATOM 561 O LYS A 36 0.688 -3.235 12.123 1.00 0.00 O ATOM 562 CB LYS A 36 -0.595 -4.555 14.106 1.00 0.00 C ATOM 563 CG LYS A 36 -1.711 -5.302 14.815 1.00 0.00 C ATOM 564 CD LYS A 36 -2.442 -4.408 15.802 1.00 0.00 C ATOM 565 CE LYS A 36 -3.625 -3.709 15.150 1.00 0.00 C ATOM 566 NZ LYS A 36 -3.218 -2.452 14.463 1.00 0.00 N ATOM 0 H LYS A 36 0.710 -7.272 13.704 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.638 -5.962 12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.142 -4.234 14.843 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.005 -3.653 13.651 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.417 -5.687 14.079 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.297 -6.163 15.340 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.790 -5.004 16.646 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.752 -3.664 16.200 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.092 -4.381 14.430 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.375 -3.482 15.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.028 -1.801 14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.441 -2.005 14.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.900 -2.671 13.497 1.00 0.00 H new ATOM 580 N ILE A 37 1.563 -5.047 11.115 1.00 0.00 N ATOM 581 CA ILE A 37 2.289 -4.275 10.115 1.00 0.00 C ATOM 582 C ILE A 37 1.548 -4.267 8.782 1.00 0.00 C ATOM 583 O ILE A 37 1.179 -5.318 8.259 1.00 0.00 O ATOM 584 CB ILE A 37 3.709 -4.831 9.897 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.485 -4.839 11.215 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.444 -4.009 8.848 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.867 -5.444 11.100 1.00 0.00 C ATOM 0 H ILE A 37 1.681 -6.057 11.035 1.00 0.00 H new ATOM 0 HA ILE A 37 2.361 -3.256 10.494 1.00 0.00 H new ATOM 0 HB ILE A 37 3.631 -5.857 9.537 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.575 -3.816 11.581 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.915 -5.395 11.959 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.446 -4.414 8.705 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.898 -4.050 7.906 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.515 -2.974 9.181 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.359 -5.416 12.072 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.785 -6.478 10.765 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.455 -4.875 10.380 1.00 0.00 H new ATOM 599 N PHE A 38 1.336 -3.073 8.237 1.00 0.00 N ATOM 600 CA PHE A 38 0.639 -2.927 6.964 1.00 0.00 C ATOM 601 C PHE A 38 1.469 -2.106 5.982 1.00 0.00 C ATOM 602 O PHE A 38 2.456 -1.475 6.362 1.00 0.00 O ATOM 603 CB PHE A 38 -0.723 -2.265 7.177 1.00 0.00 C ATOM 604 CG PHE A 38 -0.631 -0.855 7.686 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.408 -0.603 9.030 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.767 0.219 6.821 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.324 0.694 9.501 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.683 1.517 7.286 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.461 1.755 8.628 1.00 0.00 C ATOM 0 H PHE A 38 1.637 -2.193 8.657 1.00 0.00 H new ATOM 0 HA PHE A 38 0.489 -3.921 6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.271 -2.268 6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.301 -2.861 7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.299 -1.429 9.717 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.941 0.039 5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.151 0.877 10.551 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.791 2.345 6.601 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.395 2.769 8.994 1.00 0.00 H new ATOM 619 N ARG A 39 1.062 -2.120 4.717 1.00 0.00 N ATOM 620 CA ARG A 39 1.767 -1.378 3.679 1.00 0.00 C ATOM 621 C ARG A 39 0.817 -0.979 2.554 1.00 0.00 C ATOM 622 O ARG A 39 0.125 -1.823 1.984 1.00 0.00 O ATOM 623 CB ARG A 39 2.917 -2.216 3.116 1.00 0.00 C ATOM 624 CG ARG A 39 3.642 -1.553 1.956 1.00 0.00 C ATOM 625 CD ARG A 39 4.212 -2.584 0.994 1.00 0.00 C ATOM 626 NE ARG A 39 5.568 -2.984 1.359 1.00 0.00 N ATOM 627 CZ ARG A 39 6.407 -3.585 0.524 1.00 0.00 C ATOM 628 NH1 ARG A 39 6.031 -3.855 -0.719 1.00 0.00 N ATOM 629 NH2 ARG A 39 7.625 -3.918 0.931 1.00 0.00 N ATOM 0 H ARG A 39 0.247 -2.637 4.386 1.00 0.00 H new ATOM 0 HA ARG A 39 2.172 -0.471 4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.633 -2.418 3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.527 -3.179 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.954 -0.897 1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.448 -0.926 2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.567 -3.462 0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.215 -2.174 -0.016 1.00 0.00 H new ATOM 0 HE ARG A 39 5.888 -2.791 2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.095 -3.601 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.678 -4.317 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.918 -3.712 1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.269 -4.380 0.289 1.00 0.00 H new ATOM 643 N ILE A 40 0.788 0.313 2.242 1.00 0.00 N ATOM 644 CA ILE A 40 -0.078 0.823 1.185 1.00 0.00 C ATOM 645 C ILE A 40 0.316 0.250 -0.172 1.00 0.00 C ATOM 646 O ILE A 40 1.238 0.743 -0.822 1.00 0.00 O ATOM 647 CB ILE A 40 -0.032 2.361 1.114 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.820 2.971 2.276 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.582 2.846 -0.219 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.810 4.483 2.284 1.00 0.00 C ATOM 0 H ILE A 40 1.353 1.025 2.705 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.093 0.509 1.428 1.00 0.00 H new ATOM 0 HB ILE A 40 1.006 2.683 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.852 2.623 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.405 2.608 3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.543 3.935 -0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.018 2.435 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.615 2.516 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.387 4.846 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.217 4.840 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.252 4.855 1.360 1.00 0.00 H new ATOM 662 N VAL A 41 -0.391 -0.793 -0.596 1.00 0.00 N ATOM 663 CA VAL A 41 -0.118 -1.431 -1.877 1.00 0.00 C ATOM 664 C VAL A 41 -0.061 -0.404 -3.002 1.00 0.00 C ATOM 665 O VAL A 41 0.822 -0.455 -3.859 1.00 0.00 O ATOM 666 CB VAL A 41 -1.185 -2.489 -2.216 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.793 -3.262 -3.466 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.394 -3.430 -1.040 1.00 0.00 C ATOM 0 H VAL A 41 -1.157 -1.214 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 41 0.852 -1.920 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.127 -1.979 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.559 -4.005 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.700 -2.573 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.161 -3.763 -3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.151 -4.171 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.457 -3.935 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.724 -2.860 -0.172 1.00 0.00 H new ATOM 678 N ASP A 42 -1.007 0.528 -2.993 1.00 0.00 N ATOM 679 CA ASP A 42 -1.065 1.570 -4.012 1.00 0.00 C ATOM 680 C ASP A 42 -1.588 2.877 -3.424 1.00 0.00 C ATOM 681 O ASP A 42 -2.781 3.033 -3.161 1.00 0.00 O ATOM 682 CB ASP A 42 -1.953 1.127 -5.175 1.00 0.00 C ATOM 683 CG ASP A 42 -1.178 0.384 -6.246 1.00 0.00 C ATOM 684 OD1 ASP A 42 -0.530 1.051 -7.079 1.00 0.00 O ATOM 685 OD2 ASP A 42 -1.220 -0.864 -6.250 1.00 0.00 O ATOM 0 H ASP A 42 -1.745 0.584 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.054 1.739 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.749 0.486 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.431 2.001 -5.617 1.00 0.00 H new ATOM 690 N PRO A 43 -0.677 3.837 -3.211 1.00 0.00 N ATOM 691 CA PRO A 43 -1.024 5.147 -2.651 1.00 0.00 C ATOM 692 C PRO A 43 -1.836 5.996 -3.624 1.00 0.00 C ATOM 693 O PRO A 43 -2.841 6.598 -3.247 1.00 0.00 O ATOM 694 CB PRO A 43 0.339 5.792 -2.388 1.00 0.00 C ATOM 695 CG PRO A 43 1.265 5.128 -3.348 1.00 0.00 C ATOM 696 CD PRO A 43 0.762 3.720 -3.501 1.00 0.00 C ATOM 0 HA PRO A 43 -1.648 5.058 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.305 6.869 -2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.658 5.636 -1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.271 5.647 -4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.289 5.138 -2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.939 3.337 -4.506 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.257 3.039 -2.809 1.00 0.00 H new ATOM 704 N ASN A 44 -1.394 6.040 -4.876 1.00 0.00 N ATOM 705 CA ASN A 44 -2.080 6.816 -5.902 1.00 0.00 C ATOM 706 C ASN A 44 -3.540 6.390 -6.021 1.00 0.00 C ATOM 707 O ASN A 44 -4.397 7.178 -6.418 1.00 0.00 O ATOM 708 CB ASN A 44 -1.378 6.651 -7.252 1.00 0.00 C ATOM 709 CG ASN A 44 -1.787 7.715 -8.251 1.00 0.00 C ATOM 710 OD1 ASN A 44 -2.641 7.484 -9.107 1.00 0.00 O ATOM 711 ND2 ASN A 44 -1.177 8.890 -8.147 1.00 0.00 N ATOM 0 H ASN A 44 -0.564 5.547 -5.205 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.048 7.866 -5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.299 6.691 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.608 5.667 -7.660 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.411 9.645 -8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.475 9.038 -7.422 1.00 0.00 H new ATOM 718 N GLY A 45 -3.816 5.137 -5.672 1.00 0.00 N ATOM 719 CA GLY A 45 -5.173 4.628 -5.746 1.00 0.00 C ATOM 720 C GLY A 45 -5.919 4.775 -4.435 1.00 0.00 C ATOM 721 O GLY A 45 -7.098 5.132 -4.420 1.00 0.00 O ATOM 0 H GLY A 45 -3.124 4.465 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.714 5.158 -6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.148 3.576 -6.031 1.00 0.00 H new ATOM 725 N LEU A 46 -5.234 4.498 -3.332 1.00 0.00 N ATOM 726 CA LEU A 46 -5.840 4.601 -2.009 1.00 0.00 C ATOM 727 C LEU A 46 -6.188 6.049 -1.679 1.00 0.00 C ATOM 728 O LEU A 46 -7.304 6.349 -1.259 1.00 0.00 O ATOM 729 CB LEU A 46 -4.893 4.038 -0.947 1.00 0.00 C ATOM 730 CG LEU A 46 -5.313 4.250 0.508 1.00 0.00 C ATOM 731 CD1 LEU A 46 -6.523 3.392 0.845 1.00 0.00 C ATOM 732 CD2 LEU A 46 -4.158 3.939 1.447 1.00 0.00 C ATOM 0 H LEU A 46 -4.258 4.200 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.761 4.018 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.781 2.968 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.911 4.488 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.588 5.297 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.807 3.556 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.354 3.663 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.276 2.341 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.475 4.095 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.851 2.901 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.319 4.597 1.222 1.00 0.00 H new ATOM 744 N ALA A 47 -5.224 6.943 -1.876 1.00 0.00 N ATOM 745 CA ALA A 47 -5.429 8.360 -1.604 1.00 0.00 C ATOM 746 C ALA A 47 -6.794 8.822 -2.103 1.00 0.00 C ATOM 747 O ALA A 47 -7.551 9.458 -1.368 1.00 0.00 O ATOM 748 CB ALA A 47 -4.324 9.186 -2.245 1.00 0.00 C ATOM 0 H ALA A 47 -4.293 6.710 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.397 8.506 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.490 10.242 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.360 8.882 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.329 9.027 -3.323 1.00 0.00 H new ATOM 754 N ARG A 48 -7.102 8.500 -3.355 1.00 0.00 N ATOM 755 CA ARG A 48 -8.375 8.885 -3.952 1.00 0.00 C ATOM 756 C ARG A 48 -9.531 8.602 -2.996 1.00 0.00 C ATOM 757 O ARG A 48 -10.469 9.393 -2.888 1.00 0.00 O ATOM 758 CB ARG A 48 -8.593 8.136 -5.268 1.00 0.00 C ATOM 759 CG ARG A 48 -7.748 8.664 -6.416 1.00 0.00 C ATOM 760 CD ARG A 48 -7.416 7.566 -7.415 1.00 0.00 C ATOM 761 NE ARG A 48 -8.490 7.366 -8.384 1.00 0.00 N ATOM 762 CZ ARG A 48 -8.304 6.832 -9.586 1.00 0.00 C ATOM 763 NH1 ARG A 48 -7.094 6.446 -9.964 1.00 0.00 N ATOM 764 NH2 ARG A 48 -9.331 6.683 -10.413 1.00 0.00 N ATOM 0 H ARG A 48 -6.487 7.973 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.345 9.956 -4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.367 7.080 -5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.646 8.201 -5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.282 9.468 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.825 9.091 -6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.496 7.820 -7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.231 6.634 -6.881 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.434 7.652 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.302 6.559 -9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.955 6.036 -10.888 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.264 6.979 -10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.187 6.273 -11.336 1.00 0.00 H new ATOM 778 N LEU A 49 -9.457 7.469 -2.306 1.00 0.00 N ATOM 779 CA LEU A 49 -10.498 7.081 -1.360 1.00 0.00 C ATOM 780 C LEU A 49 -10.528 8.029 -0.166 1.00 0.00 C ATOM 781 O LEU A 49 -11.592 8.496 0.241 1.00 0.00 O ATOM 782 CB LEU A 49 -10.269 5.646 -0.881 1.00 0.00 C ATOM 783 CG LEU A 49 -9.953 4.618 -1.967 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.072 3.509 -1.414 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.238 4.042 -2.546 1.00 0.00 C ATOM 0 H LEU A 49 -8.688 6.803 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.459 7.138 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.449 5.650 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.159 5.317 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.409 5.120 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.858 2.787 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.138 3.935 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.588 3.009 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.994 3.312 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.808 3.556 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.833 4.845 -2.981 1.00 0.00 H new ATOM 797 N TRP A 50 -9.356 8.311 0.390 1.00 0.00 N ATOM 798 CA TRP A 50 -9.248 9.206 1.537 1.00 0.00 C ATOM 799 C TRP A 50 -9.679 10.621 1.165 1.00 0.00 C ATOM 800 O TRP A 50 -10.272 11.332 1.975 1.00 0.00 O ATOM 801 CB TRP A 50 -7.814 9.219 2.067 1.00 0.00 C ATOM 802 CG TRP A 50 -7.460 10.482 2.792 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.788 11.557 2.285 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.758 10.799 4.156 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.650 12.524 3.252 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.238 12.084 4.408 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.416 10.124 5.188 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.355 12.703 5.650 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.532 10.741 6.419 1.00 0.00 C ATOM 810 CH2 TRP A 50 -8.004 12.020 6.642 1.00 0.00 C ATOM 0 H TRP A 50 -8.466 7.933 0.065 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.913 8.837 2.318 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.675 8.372 2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.125 9.082 1.234 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.419 11.636 1.273 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.185 13.423 3.129 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.826 9.138 5.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.948 13.688 5.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.039 10.229 7.224 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.112 12.475 7.616 1.00 0.00 H new ATOM 821 N GLY A 51 -9.376 11.023 -0.065 1.00 0.00 N ATOM 822 CA GLY A 51 -9.739 12.352 -0.522 1.00 0.00 C ATOM 823 C GLY A 51 -11.171 12.424 -1.015 1.00 0.00 C ATOM 824 O GLY A 51 -11.805 13.476 -0.948 1.00 0.00 O ATOM 0 H GLY A 51 -8.886 10.452 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.602 13.063 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.066 12.653 -1.325 1.00 0.00 H new ATOM 828 N ASN A 52 -11.681 11.302 -1.512 1.00 0.00 N ATOM 829 CA ASN A 52 -13.047 11.243 -2.021 1.00 0.00 C ATOM 830 C ASN A 52 -14.056 11.411 -0.889 1.00 0.00 C ATOM 831 O ASN A 52 -14.775 12.408 -0.827 1.00 0.00 O ATOM 832 CB ASN A 52 -13.288 9.915 -2.742 1.00 0.00 C ATOM 833 CG ASN A 52 -14.660 9.847 -3.384 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.194 10.856 -3.843 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.237 8.651 -3.419 1.00 0.00 N ATOM 0 H ASN A 52 -11.170 10.422 -1.573 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.181 12.062 -2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.524 9.776 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.181 9.095 -2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.160 8.542 -3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.757 7.841 -3.026 1.00 0.00 H new ATOM 842 N HIS A 53 -14.104 10.427 0.004 1.00 0.00 N ATOM 843 CA HIS A 53 -15.025 10.466 1.135 1.00 0.00 C ATOM 844 C HIS A 53 -14.820 11.733 1.959 1.00 0.00 C ATOM 845 O HIS A 53 -15.690 12.130 2.735 1.00 0.00 O ATOM 846 CB HIS A 53 -14.833 9.233 2.018 1.00 0.00 C ATOM 847 CG HIS A 53 -13.820 9.425 3.104 1.00 0.00 C ATOM 848 ND1 HIS A 53 -12.548 8.897 3.049 1.00 0.00 N ATOM 849 CD2 HIS A 53 -13.897 10.095 4.278 1.00 0.00 C ATOM 850 CE1 HIS A 53 -11.887 9.231 4.143 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.683 9.959 4.905 1.00 0.00 N ATOM 0 H HIS A 53 -13.517 9.594 -0.034 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.042 10.469 0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.789 8.966 2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.529 8.393 1.393 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -12.175 8.336 2.283 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.754 10.636 4.652 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.869 8.956 4.375 1.00 0.00 H new ATOM 860 N LYS A 54 -13.664 12.365 1.786 1.00 0.00 N ATOM 861 CA LYS A 54 -13.344 13.588 2.513 1.00 0.00 C ATOM 862 C LYS A 54 -13.802 14.818 1.736 1.00 0.00 C ATOM 863 O LYS A 54 -13.389 15.939 2.031 1.00 0.00 O ATOM 864 CB LYS A 54 -11.838 13.670 2.776 1.00 0.00 C ATOM 865 CG LYS A 54 -11.396 12.914 4.017 1.00 0.00 C ATOM 866 CD LYS A 54 -11.834 13.624 5.288 1.00 0.00 C ATOM 867 CE LYS A 54 -10.892 14.764 5.642 1.00 0.00 C ATOM 868 NZ LYS A 54 -11.464 15.649 6.694 1.00 0.00 N ATOM 0 H LYS A 54 -12.933 12.050 1.148 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.873 13.564 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.304 13.276 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.552 14.717 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.814 11.907 3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.311 12.809 4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.844 14.012 5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.869 12.910 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.942 14.356 5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.681 15.351 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.792 16.414 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.358 16.058 6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.642 15.094 7.555 1.00 0.00 H new ATOM 882 N ASN A 55 -14.659 14.601 0.743 1.00 0.00 N ATOM 883 CA ASN A 55 -15.174 15.693 -0.075 1.00 0.00 C ATOM 884 C ASN A 55 -14.044 16.614 -0.526 1.00 0.00 C ATOM 885 O ASN A 55 -14.251 17.809 -0.736 1.00 0.00 O ATOM 886 CB ASN A 55 -16.218 16.493 0.705 1.00 0.00 C ATOM 887 CG ASN A 55 -17.020 17.422 -0.187 1.00 0.00 C ATOM 888 OD1 ASN A 55 -16.803 17.477 -1.397 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.950 18.158 0.410 1.00 0.00 N ATOM 0 H ASN A 55 -15.011 13.679 0.486 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.643 15.262 -0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.895 15.805 1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.720 17.077 1.479 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.520 18.802 -0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -18.095 18.079 1.417 1.00 0.00 H new ATOM 896 N ARG A 56 -12.851 16.048 -0.675 1.00 0.00 N ATOM 897 CA ARG A 56 -11.688 16.818 -1.101 1.00 0.00 C ATOM 898 C ARG A 56 -11.472 16.688 -2.606 1.00 0.00 C ATOM 899 O ARG A 56 -12.196 15.963 -3.288 1.00 0.00 O ATOM 900 CB ARG A 56 -10.438 16.351 -0.353 1.00 0.00 C ATOM 901 CG ARG A 56 -10.356 16.865 1.075 1.00 0.00 C ATOM 902 CD ARG A 56 -10.047 18.353 1.115 1.00 0.00 C ATOM 903 NE ARG A 56 -10.140 18.895 2.468 1.00 0.00 N ATOM 904 CZ ARG A 56 -10.359 20.179 2.732 1.00 0.00 C ATOM 905 NH1 ARG A 56 -10.506 21.047 1.741 1.00 0.00 N ATOM 906 NH2 ARG A 56 -10.430 20.596 3.990 1.00 0.00 N ATOM 0 H ARG A 56 -12.664 15.059 -0.507 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.872 17.866 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.419 15.261 -0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.554 16.679 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.300 16.675 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.584 16.317 1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.045 18.526 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.740 18.885 0.463 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.031 18.253 3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.451 20.730 0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.674 22.032 1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.316 19.931 4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.598 21.582 4.192 1.00 0.00 H new ATOM 920 N THR A 57 -10.470 17.396 -3.118 1.00 0.00 N ATOM 921 CA THR A 57 -10.159 17.361 -4.541 1.00 0.00 C ATOM 922 C THR A 57 -8.653 17.331 -4.775 1.00 0.00 C ATOM 923 O THR A 57 -7.892 17.988 -4.065 1.00 0.00 O ATOM 924 CB THR A 57 -10.756 18.576 -5.277 1.00 0.00 C ATOM 925 OG1 THR A 57 -12.143 18.714 -4.947 1.00 0.00 O ATOM 926 CG2 THR A 57 -10.600 18.427 -6.783 1.00 0.00 C ATOM 0 H THR A 57 -9.860 18.001 -2.568 1.00 0.00 H new ATOM 0 HA THR A 57 -10.604 16.449 -4.938 1.00 0.00 H new ATOM 0 HB THR A 57 -10.216 19.468 -4.959 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.516 19.489 -5.417 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.029 19.297 -7.281 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.542 18.351 -7.033 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.117 17.527 -7.115 1.00 0.00 H new ATOM 934 N ASN A 58 -8.228 16.564 -5.774 1.00 0.00 N ATOM 935 CA ASN A 58 -6.812 16.448 -6.100 1.00 0.00 C ATOM 936 C ASN A 58 -6.014 15.959 -4.895 1.00 0.00 C ATOM 937 O ASN A 58 -4.909 16.434 -4.635 1.00 0.00 O ATOM 938 CB ASN A 58 -6.265 17.796 -6.574 1.00 0.00 C ATOM 939 CG ASN A 58 -6.430 17.994 -8.069 1.00 0.00 C ATOM 940 OD1 ASN A 58 -7.474 18.452 -8.534 1.00 0.00 O ATOM 941 ND2 ASN A 58 -5.398 17.648 -8.829 1.00 0.00 N ATOM 0 H ASN A 58 -8.845 16.014 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.708 15.718 -6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.778 18.599 -6.045 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.209 17.868 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.451 17.758 -9.842 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.552 17.272 -8.400 1.00 0.00 H new ATOM 948 N MET A 59 -6.582 15.005 -4.164 1.00 0.00 N ATOM 949 CA MET A 59 -5.923 14.450 -2.988 1.00 0.00 C ATOM 950 C MET A 59 -4.642 13.719 -3.377 1.00 0.00 C ATOM 951 O MET A 59 -4.684 12.663 -4.010 1.00 0.00 O ATOM 952 CB MET A 59 -6.865 13.495 -2.252 1.00 0.00 C ATOM 953 CG MET A 59 -6.209 12.770 -1.088 1.00 0.00 C ATOM 954 SD MET A 59 -5.694 13.892 0.226 1.00 0.00 S ATOM 955 CE MET A 59 -7.281 14.364 0.909 1.00 0.00 C ATOM 0 H MET A 59 -7.497 14.601 -4.365 1.00 0.00 H new ATOM 0 HA MET A 59 -5.663 15.275 -2.325 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.723 14.057 -1.882 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.247 12.759 -2.959 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.906 12.037 -0.682 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.342 12.219 -1.451 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.130 14.882 1.856 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.795 15.026 0.212 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.885 13.472 1.075 1.00 0.00 H new ATOM 965 N THR A 60 -3.502 14.287 -2.995 1.00 0.00 N ATOM 966 CA THR A 60 -2.209 13.691 -3.305 1.00 0.00 C ATOM 967 C THR A 60 -1.624 12.982 -2.089 1.00 0.00 C ATOM 968 O THR A 60 -1.768 13.448 -0.958 1.00 0.00 O ATOM 969 CB THR A 60 -1.206 14.751 -3.799 1.00 0.00 C ATOM 970 OG1 THR A 60 -1.095 15.806 -2.837 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.639 15.323 -5.140 1.00 0.00 C ATOM 0 H THR A 60 -3.449 15.160 -2.470 1.00 0.00 H new ATOM 0 HA THR A 60 -2.379 12.964 -4.099 1.00 0.00 H new ATOM 0 HB THR A 60 -0.236 14.271 -3.924 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.454 16.475 -3.157 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.915 16.069 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.693 14.522 -5.877 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.619 15.789 -5.037 1.00 0.00 H new ATOM 979 N TYR A 61 -0.965 11.854 -2.328 1.00 0.00 N ATOM 980 CA TYR A 61 -0.360 11.080 -1.251 1.00 0.00 C ATOM 981 C TYR A 61 0.564 11.951 -0.405 1.00 0.00 C ATOM 982 O TYR A 61 0.664 11.773 0.808 1.00 0.00 O ATOM 983 CB TYR A 61 0.421 9.895 -1.823 1.00 0.00 C ATOM 984 CG TYR A 61 1.084 9.040 -0.766 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.325 8.331 0.157 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.467 8.942 -0.691 1.00 0.00 C ATOM 987 CE1 TYR A 61 0.926 7.549 1.125 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.077 8.161 0.272 1.00 0.00 C ATOM 989 CZ TYR A 61 2.302 7.467 1.178 1.00 0.00 C ATOM 990 OH TYR A 61 2.905 6.689 2.140 1.00 0.00 O ATOM 0 H TYR A 61 -0.836 11.455 -3.258 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.161 10.706 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.256 9.273 -2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.183 10.269 -2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.753 8.392 0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.077 9.486 -1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.322 7.005 1.836 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.154 8.094 0.315 1.00 0.00 H new ATOM 0 HH TYR A 61 3.599 7.211 2.595 1.00 0.00 H new ATOM 1000 N GLU A 62 1.236 12.896 -1.057 1.00 0.00 N ATOM 1001 CA GLU A 62 2.151 13.796 -0.365 1.00 0.00 C ATOM 1002 C GLU A 62 1.441 14.527 0.771 1.00 0.00 C ATOM 1003 O GLU A 62 1.992 14.690 1.860 1.00 0.00 O ATOM 1004 CB GLU A 62 2.744 14.809 -1.347 1.00 0.00 C ATOM 1005 CG GLU A 62 3.809 14.222 -2.258 1.00 0.00 C ATOM 1006 CD GLU A 62 4.795 15.264 -2.749 1.00 0.00 C ATOM 1007 OE1 GLU A 62 4.347 16.328 -3.225 1.00 0.00 O ATOM 1008 OE2 GLU A 62 6.015 15.015 -2.657 1.00 0.00 O ATOM 0 H GLU A 62 1.164 13.057 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 62 2.957 13.198 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.942 15.222 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.175 15.638 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.348 13.440 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.329 13.749 -3.115 1.00 0.00 H new ATOM 1015 N LYS A 63 0.215 14.966 0.508 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.573 15.679 1.507 1.00 0.00 C ATOM 1017 C LYS A 63 -1.191 14.708 2.507 1.00 0.00 C ATOM 1018 O LYS A 63 -1.726 15.120 3.536 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.673 16.498 0.828 1.00 0.00 C ATOM 1020 CG LYS A 63 -1.143 17.629 -0.036 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.271 18.382 -0.722 1.00 0.00 C ATOM 1022 CE LYS A 63 -1.737 19.408 -1.710 1.00 0.00 C ATOM 1023 NZ LYS A 63 -1.134 20.582 -1.020 1.00 0.00 N ATOM 0 H LYS A 63 -0.255 14.841 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 63 0.093 16.353 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.280 15.835 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.330 16.913 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.566 18.319 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.463 17.227 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.917 17.676 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.884 18.882 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.990 18.940 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.547 19.744 -2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.782 21.258 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.854 21.044 -0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.345 20.265 -0.421 1.00 0.00 H new ATOM 1037 N MET A 64 -1.112 13.418 2.199 1.00 0.00 N ATOM 1038 CA MET A 64 -1.663 12.388 3.073 1.00 0.00 C ATOM 1039 C MET A 64 -0.623 11.924 4.088 1.00 0.00 C ATOM 1040 O MET A 64 -0.865 11.948 5.294 1.00 0.00 O ATOM 1041 CB MET A 64 -2.154 11.197 2.248 1.00 0.00 C ATOM 1042 CG MET A 64 -3.195 10.351 2.963 1.00 0.00 C ATOM 1043 SD MET A 64 -3.933 9.104 1.889 1.00 0.00 S ATOM 1044 CE MET A 64 -3.182 7.613 2.537 1.00 0.00 C ATOM 0 H MET A 64 -0.672 13.060 1.351 1.00 0.00 H new ATOM 0 HA MET A 64 -2.506 12.818 3.613 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.576 11.563 1.312 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.302 10.568 1.990 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.733 9.860 3.819 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.979 11.000 3.353 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.162 6.848 1.760 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.163 7.829 2.859 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.762 7.253 3.386 1.00 0.00 H new ATOM 1054 N SER A 65 0.535 11.501 3.590 1.00 0.00 N ATOM 1055 CA SER A 65 1.611 11.027 4.454 1.00 0.00 C ATOM 1056 C SER A 65 1.866 12.010 5.593 1.00 0.00 C ATOM 1057 O SER A 65 2.292 11.620 6.680 1.00 0.00 O ATOM 1058 CB SER A 65 2.892 10.825 3.643 1.00 0.00 C ATOM 1059 OG SER A 65 3.370 12.055 3.128 1.00 0.00 O ATOM 0 H SER A 65 0.752 11.477 2.594 1.00 0.00 H new ATOM 0 HA SER A 65 1.306 10.072 4.883 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.656 10.369 4.273 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.701 10.133 2.822 1.00 0.00 H new ATOM 0 HG SER A 65 4.190 11.898 2.615 1.00 0.00 H new ATOM 1065 N ARG A 66 1.602 13.287 5.335 1.00 0.00 N ATOM 1066 CA ARG A 66 1.804 14.327 6.337 1.00 0.00 C ATOM 1067 C ARG A 66 1.339 13.854 7.711 1.00 0.00 C ATOM 1068 O ARG A 66 2.144 13.689 8.626 1.00 0.00 O ATOM 1069 CB ARG A 66 1.052 15.598 5.941 1.00 0.00 C ATOM 1070 CG ARG A 66 1.862 16.537 5.061 1.00 0.00 C ATOM 1071 CD ARG A 66 2.714 17.482 5.893 1.00 0.00 C ATOM 1072 NE ARG A 66 3.175 18.630 5.116 1.00 0.00 N ATOM 1073 CZ ARG A 66 2.419 19.689 4.850 1.00 0.00 C ATOM 1074 NH1 ARG A 66 1.172 19.746 5.297 1.00 0.00 N ATOM 1075 NH2 ARG A 66 2.910 20.694 4.136 1.00 0.00 N ATOM 0 H ARG A 66 1.248 13.626 4.441 1.00 0.00 H new ATOM 0 HA ARG A 66 2.871 14.546 6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.138 15.320 5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.752 16.129 6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.503 15.955 4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.189 17.114 4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.137 17.832 6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.575 16.942 6.288 1.00 0.00 H new ATOM 0 HE ARG A 66 4.130 18.618 4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.791 18.975 5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.593 20.560 5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.869 20.654 3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.328 21.507 3.932 1.00 0.00 H new ATOM 1089 N ALA A 67 0.034 13.640 7.848 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.537 13.186 9.109 1.00 0.00 C ATOM 1091 C ALA A 67 0.333 12.111 9.751 1.00 0.00 C ATOM 1092 O ALA A 67 0.916 12.322 10.814 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.950 12.665 8.891 1.00 0.00 C ATOM 0 H ALA A 67 -0.647 13.774 7.101 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.576 14.037 9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.365 12.329 9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.573 13.462 8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.926 11.830 8.190 1.00 0.00 H new ATOM 1099 N LEU A 68 0.415 10.956 9.098 1.00 0.00 N ATOM 1100 CA LEU A 68 1.214 9.846 9.606 1.00 0.00 C ATOM 1101 C LEU A 68 2.461 10.355 10.322 1.00 0.00 C ATOM 1102 O LEU A 68 2.804 9.880 11.404 1.00 0.00 O ATOM 1103 CB LEU A 68 1.614 8.915 8.460 1.00 0.00 C ATOM 1104 CG LEU A 68 0.510 8.011 7.913 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.449 7.607 9.022 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.239 8.706 6.785 1.00 0.00 C ATOM 0 H LEU A 68 -0.062 10.764 8.217 1.00 0.00 H new ATOM 0 HA LEU A 68 0.608 9.292 10.322 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.997 9.524 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.436 8.285 8.800 1.00 0.00 H new ATOM 0 HG LEU A 68 0.972 7.108 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.228 6.964 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.097 7.068 9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.904 8.499 9.452 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.021 8.047 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.688 9.626 7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.455 8.943 5.979 1.00 0.00 H new ATOM 1118 N ARG A 69 3.133 11.326 9.711 1.00 0.00 N ATOM 1119 CA ARG A 69 4.341 11.900 10.291 1.00 0.00 C ATOM 1120 C ARG A 69 4.053 12.497 11.666 1.00 0.00 C ATOM 1121 O ARG A 69 4.676 12.122 12.660 1.00 0.00 O ATOM 1122 CB ARG A 69 4.915 12.975 9.366 1.00 0.00 C ATOM 1123 CG ARG A 69 6.321 13.413 9.741 1.00 0.00 C ATOM 1124 CD ARG A 69 7.111 13.856 8.519 1.00 0.00 C ATOM 1125 NE ARG A 69 6.628 15.127 7.987 1.00 0.00 N ATOM 1126 CZ ARG A 69 7.218 15.778 6.990 1.00 0.00 C ATOM 1127 NH1 ARG A 69 8.306 15.278 6.420 1.00 0.00 N ATOM 1128 NH2 ARG A 69 6.719 16.930 6.561 1.00 0.00 N ATOM 0 H ARG A 69 2.861 11.731 8.815 1.00 0.00 H new ATOM 0 HA ARG A 69 5.074 11.101 10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.922 12.597 8.344 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.257 13.844 9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.269 14.232 10.458 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.840 12.591 10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.164 13.950 8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.043 13.090 7.746 1.00 0.00 H new ATOM 0 HE ARG A 69 5.792 15.538 8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.692 14.392 6.747 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.757 15.779 5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.882 17.317 6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.173 17.429 5.796 1.00 0.00 H new ATOM 1142 N HIS A 70 3.107 13.430 11.714 1.00 0.00 N ATOM 1143 CA HIS A 70 2.737 14.079 12.967 1.00 0.00 C ATOM 1144 C HIS A 70 2.540 13.049 14.075 1.00 0.00 C ATOM 1145 O HIS A 70 2.775 13.333 15.249 1.00 0.00 O ATOM 1146 CB HIS A 70 1.459 14.898 12.783 1.00 0.00 C ATOM 1147 CG HIS A 70 0.618 14.981 14.019 1.00 0.00 C ATOM 1148 ND1 HIS A 70 0.928 15.795 15.088 1.00 0.00 N ATOM 1149 CD2 HIS A 70 -0.530 14.346 14.353 1.00 0.00 C ATOM 1150 CE1 HIS A 70 0.008 15.657 16.026 1.00 0.00 C ATOM 1151 NE2 HIS A 70 -0.889 14.783 15.604 1.00 0.00 N ATOM 0 H HIS A 70 2.583 13.753 10.901 1.00 0.00 H new ATOM 0 HA HIS A 70 3.549 14.746 13.256 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.726 15.906 12.467 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.868 14.458 11.980 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.064 13.629 13.748 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.008 16.171 16.976 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.714 14.482 16.123 1.00 0.00 H new ATOM 1160 N TYR A 71 2.106 11.853 13.694 1.00 0.00 N ATOM 1161 CA TYR A 71 1.874 10.781 14.655 1.00 0.00 C ATOM 1162 C TYR A 71 3.172 10.045 14.974 1.00 0.00 C ATOM 1163 O TYR A 71 3.387 9.601 16.102 1.00 0.00 O ATOM 1164 CB TYR A 71 0.836 9.798 14.114 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.501 10.435 13.810 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.388 10.755 14.831 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -0.878 10.716 12.503 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.611 11.337 14.558 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.098 11.299 12.221 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.961 11.607 13.252 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.179 12.186 12.975 1.00 0.00 O ATOM 0 H TYR A 71 1.908 11.601 12.726 1.00 0.00 H new ATOM 0 HA TYR A 71 1.496 11.228 15.575 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.224 9.336 13.206 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.691 8.999 14.841 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.117 10.545 15.855 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.206 10.474 11.693 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.289 11.579 15.363 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.375 11.512 11.199 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.270 12.310 12.007 1.00 0.00 H new ATOM 1181 N TYR A 72 4.034 9.919 13.971 1.00 0.00 N ATOM 1182 CA TYR A 72 5.310 9.234 14.142 1.00 0.00 C ATOM 1183 C TYR A 72 6.013 9.702 15.412 1.00 0.00 C ATOM 1184 O TYR A 72 6.494 8.891 16.204 1.00 0.00 O ATOM 1185 CB TYR A 72 6.209 9.478 12.929 1.00 0.00 C ATOM 1186 CG TYR A 72 5.715 8.812 11.664 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.554 8.049 11.667 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.409 8.946 10.468 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.099 7.438 10.514 1.00 0.00 C ATOM 1190 CE2 TYR A 72 5.960 8.339 9.311 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.805 7.586 9.339 1.00 0.00 C ATOM 1192 OH TYR A 72 4.356 6.980 8.188 1.00 0.00 O ATOM 0 H TYR A 72 3.873 10.282 13.032 1.00 0.00 H new ATOM 0 HA TYR A 72 5.112 8.166 14.231 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.289 10.551 12.757 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.212 9.115 13.152 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.998 7.931 12.585 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.314 9.534 10.442 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.195 6.848 10.533 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.511 8.454 8.389 1.00 0.00 H new ATOM 0 HH TYR A 72 4.498 6.012 8.251 1.00 0.00 H new ATOM 1202 N LYS A 73 6.068 11.016 15.601 1.00 0.00 N ATOM 1203 CA LYS A 73 6.710 11.595 16.776 1.00 0.00 C ATOM 1204 C LYS A 73 5.989 11.173 18.052 1.00 0.00 C ATOM 1205 O LYS A 73 6.614 10.989 19.098 1.00 0.00 O ATOM 1206 CB LYS A 73 6.731 13.121 16.670 1.00 0.00 C ATOM 1207 CG LYS A 73 7.971 13.666 15.983 1.00 0.00 C ATOM 1208 CD LYS A 73 7.783 13.751 14.478 1.00 0.00 C ATOM 1209 CE LYS A 73 6.938 14.954 14.089 1.00 0.00 C ATOM 1210 NZ LYS A 73 6.880 15.137 12.612 1.00 0.00 N ATOM 0 H LYS A 73 5.675 11.701 14.955 1.00 0.00 H new ATOM 0 HA LYS A 73 7.735 11.226 16.819 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.848 13.451 16.123 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.663 13.547 17.671 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.202 14.655 16.378 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.824 13.026 16.208 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.756 13.816 13.992 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.307 12.839 14.118 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.928 14.830 14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.350 15.852 14.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.346 16.030 12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.367 14.345 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.887 15.163 12.304 1.00 0.00 H new ATOM 1224 N LEU A 74 4.673 11.019 17.960 1.00 0.00 N ATOM 1225 CA LEU A 74 3.868 10.617 19.108 1.00 0.00 C ATOM 1226 C LEU A 74 4.164 9.174 19.502 1.00 0.00 C ATOM 1227 O LEU A 74 3.612 8.659 20.474 1.00 0.00 O ATOM 1228 CB LEU A 74 2.379 10.776 18.793 1.00 0.00 C ATOM 1229 CG LEU A 74 1.819 12.194 18.900 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.665 12.387 17.927 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.371 12.485 20.325 1.00 0.00 C ATOM 0 H LEU A 74 4.141 11.166 17.103 1.00 0.00 H new ATOM 0 HA LEU A 74 4.127 11.264 19.946 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.201 10.412 17.781 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.815 10.132 19.467 1.00 0.00 H new ATOM 0 HG LEU A 74 2.610 12.897 18.638 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.279 13.402 18.017 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.016 12.222 16.909 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.128 11.675 18.157 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.975 13.499 20.382 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.595 11.776 20.615 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.221 12.389 21.000 1.00 0.00 H new ATOM 1243 N ASN A 75 5.042 8.527 18.743 1.00 0.00 N ATOM 1244 CA ASN A 75 5.414 7.143 19.014 1.00 0.00 C ATOM 1245 C ASN A 75 4.214 6.215 18.851 1.00 0.00 C ATOM 1246 O ASN A 75 3.946 5.373 19.708 1.00 0.00 O ATOM 1247 CB ASN A 75 5.984 7.013 20.428 1.00 0.00 C ATOM 1248 CG ASN A 75 7.487 7.210 20.466 1.00 0.00 C ATOM 1249 OD1 ASN A 75 7.990 8.111 21.137 1.00 0.00 O ATOM 1250 ND2 ASN A 75 8.213 6.366 19.742 1.00 0.00 N ATOM 0 H ASN A 75 5.509 8.939 17.935 1.00 0.00 H new ATOM 0 HA ASN A 75 6.178 6.851 18.293 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.508 7.747 21.078 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.739 6.028 20.826 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.229 6.450 19.728 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.754 5.633 19.200 1.00 0.00 H new ATOM 1257 N ILE A 76 3.495 6.375 17.744 1.00 0.00 N ATOM 1258 CA ILE A 76 2.325 5.551 17.468 1.00 0.00 C ATOM 1259 C ILE A 76 2.537 4.695 16.224 1.00 0.00 C ATOM 1260 O ILE A 76 2.088 3.550 16.163 1.00 0.00 O ATOM 1261 CB ILE A 76 1.063 6.412 17.275 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.732 7.166 18.565 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.110 5.544 16.847 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.357 8.203 18.397 1.00 0.00 C ATOM 0 H ILE A 76 3.703 7.068 17.025 1.00 0.00 H new ATOM 0 HA ILE A 76 2.184 4.903 18.333 1.00 0.00 H new ATOM 0 HB ILE A 76 1.255 7.142 16.489 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.425 6.449 19.327 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.634 7.655 18.932 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.995 6.167 16.715 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.129 5.048 15.906 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.306 4.794 17.613 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.539 8.698 19.351 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.045 8.942 17.659 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.273 7.718 18.060 1.00 0.00 H new ATOM 1276 N ILE A 77 3.225 5.257 15.236 1.00 0.00 N ATOM 1277 CA ILE A 77 3.499 4.543 13.995 1.00 0.00 C ATOM 1278 C ILE A 77 4.969 4.660 13.607 1.00 0.00 C ATOM 1279 O ILE A 77 5.549 5.746 13.649 1.00 0.00 O ATOM 1280 CB ILE A 77 2.631 5.072 12.838 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.191 5.287 13.309 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.671 4.108 11.662 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.419 6.274 12.462 1.00 0.00 C ATOM 0 H ILE A 77 3.603 6.204 15.271 1.00 0.00 H new ATOM 0 HA ILE A 77 3.254 3.496 14.173 1.00 0.00 H new ATOM 0 HB ILE A 77 3.033 6.031 12.510 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.669 4.330 13.304 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.203 5.638 14.341 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.053 4.496 10.852 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.698 4.001 11.314 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.290 3.136 11.975 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.593 6.377 12.854 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.918 7.243 12.487 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.375 5.915 11.434 1.00 0.00 H new ATOM 1295 N ARG A 78 5.567 3.536 13.227 1.00 0.00 N ATOM 1296 CA ARG A 78 6.970 3.512 12.830 1.00 0.00 C ATOM 1297 C ARG A 78 7.108 3.208 11.341 1.00 0.00 C ATOM 1298 O ARG A 78 6.774 2.115 10.885 1.00 0.00 O ATOM 1299 CB ARG A 78 7.735 2.470 13.647 1.00 0.00 C ATOM 1300 CG ARG A 78 9.244 2.652 13.607 1.00 0.00 C ATOM 1301 CD ARG A 78 9.674 3.903 14.357 1.00 0.00 C ATOM 1302 NE ARG A 78 11.109 4.148 14.235 1.00 0.00 N ATOM 1303 CZ ARG A 78 11.672 5.334 14.440 1.00 0.00 C ATOM 1304 NH1 ARG A 78 10.925 6.377 14.774 1.00 0.00 N ATOM 1305 NH2 ARG A 78 12.984 5.477 14.309 1.00 0.00 N ATOM 0 H ARG A 78 5.102 2.629 13.186 1.00 0.00 H new ATOM 0 HA ARG A 78 7.394 4.498 13.023 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.399 2.515 14.683 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.487 1.476 13.275 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.729 1.779 14.045 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.577 2.715 12.571 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.125 4.763 13.972 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.412 3.803 15.410 1.00 0.00 H new ATOM 0 HE ARG A 78 11.712 3.366 13.978 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.916 6.270 14.874 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.360 7.286 14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.561 4.676 14.051 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.416 6.387 14.466 1.00 0.00 H new ATOM 1319 N LYS A 79 7.603 4.184 10.587 1.00 0.00 N ATOM 1320 CA LYS A 79 7.788 4.023 9.150 1.00 0.00 C ATOM 1321 C LYS A 79 9.160 3.434 8.840 1.00 0.00 C ATOM 1322 O LYS A 79 10.162 4.148 8.821 1.00 0.00 O ATOM 1323 CB LYS A 79 7.627 5.369 8.440 1.00 0.00 C ATOM 1324 CG LYS A 79 7.429 5.245 6.939 1.00 0.00 C ATOM 1325 CD LYS A 79 7.402 6.607 6.266 1.00 0.00 C ATOM 1326 CE LYS A 79 7.786 6.511 4.797 1.00 0.00 C ATOM 1327 NZ LYS A 79 6.722 5.856 3.987 1.00 0.00 N ATOM 0 H LYS A 79 7.883 5.096 10.948 1.00 0.00 H new ATOM 0 HA LYS A 79 7.026 3.334 8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.775 5.896 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.509 5.980 8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.232 4.644 6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.496 4.719 6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.405 7.038 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.088 7.281 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.977 7.510 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.714 5.948 4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.105 5.000 3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.926 5.597 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.391 6.513 3.252 1.00 0.00 H new ATOM 1341 N GLU A 80 9.197 2.127 8.597 1.00 0.00 N ATOM 1342 CA GLU A 80 10.447 1.444 8.287 1.00 0.00 C ATOM 1343 C GLU A 80 11.301 2.275 7.334 1.00 0.00 C ATOM 1344 O GLU A 80 10.814 2.831 6.349 1.00 0.00 O ATOM 1345 CB GLU A 80 10.165 0.072 7.671 1.00 0.00 C ATOM 1346 CG GLU A 80 9.324 -0.832 8.557 1.00 0.00 C ATOM 1347 CD GLU A 80 10.151 -1.563 9.597 1.00 0.00 C ATOM 1348 OE1 GLU A 80 10.384 -0.989 10.682 1.00 0.00 O ATOM 1349 OE2 GLU A 80 10.566 -2.710 9.326 1.00 0.00 O ATOM 0 H GLU A 80 8.376 1.521 8.609 1.00 0.00 H new ATOM 0 HA GLU A 80 10.998 1.311 9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.655 0.209 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.113 -0.423 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.561 -0.236 9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.802 -1.560 7.936 1.00 0.00 H new ATOM 1356 N PRO A 81 12.605 2.364 7.633 1.00 0.00 N ATOM 1357 CA PRO A 81 13.554 3.126 6.816 1.00 0.00 C ATOM 1358 C PRO A 81 13.809 2.472 5.462 1.00 0.00 C ATOM 1359 O PRO A 81 14.293 3.116 4.532 1.00 0.00 O ATOM 1360 CB PRO A 81 14.831 3.122 7.660 1.00 0.00 C ATOM 1361 CG PRO A 81 14.721 1.904 8.509 1.00 0.00 C ATOM 1362 CD PRO A 81 13.254 1.728 8.791 1.00 0.00 C ATOM 0 HA PRO A 81 13.182 4.124 6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.721 3.087 7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.906 4.023 8.269 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.127 1.032 7.996 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.285 2.021 9.434 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.984 0.675 8.875 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.965 2.206 9.727 1.00 0.00 H new ATOM 1370 N GLY A 82 13.478 1.188 5.358 1.00 0.00 N ATOM 1371 CA GLY A 82 13.678 0.469 4.114 1.00 0.00 C ATOM 1372 C GLY A 82 12.383 0.244 3.360 1.00 0.00 C ATOM 1373 O GLY A 82 12.113 0.915 2.364 1.00 0.00 O ATOM 0 H GLY A 82 13.075 0.634 6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.370 1.027 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.144 -0.494 4.325 1.00 0.00 H new ATOM 1377 N GLN A 83 11.581 -0.704 3.834 1.00 0.00 N ATOM 1378 CA GLN A 83 10.308 -1.017 3.195 1.00 0.00 C ATOM 1379 C GLN A 83 9.609 0.254 2.724 1.00 0.00 C ATOM 1380 O GLN A 83 9.475 1.217 3.479 1.00 0.00 O ATOM 1381 CB GLN A 83 9.403 -1.783 4.162 1.00 0.00 C ATOM 1382 CG GLN A 83 9.998 -3.098 4.640 1.00 0.00 C ATOM 1383 CD GLN A 83 10.019 -4.157 3.555 1.00 0.00 C ATOM 1384 OE1 GLN A 83 9.164 -5.042 3.520 1.00 0.00 O ATOM 1385 NE2 GLN A 83 10.999 -4.072 2.663 1.00 0.00 N ATOM 0 H GLN A 83 11.790 -1.268 4.658 1.00 0.00 H new ATOM 0 HA GLN A 83 10.510 -1.642 2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.193 -1.153 5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.449 -1.982 3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 83 11.014 -2.925 4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.423 -3.465 5.490 1.00 0.00 H new ATOM 0 HE21 GLN A 83 11.686 -3.321 2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.064 -4.757 1.910 1.00 0.00 H new ATOM 1394 N ARG A 84 9.165 0.249 1.471 1.00 0.00 N ATOM 1395 CA ARG A 84 8.480 1.402 0.899 1.00 0.00 C ATOM 1396 C ARG A 84 7.084 1.557 1.495 1.00 0.00 C ATOM 1397 O ARG A 84 6.417 0.569 1.805 1.00 0.00 O ATOM 1398 CB ARG A 84 8.385 1.263 -0.622 1.00 0.00 C ATOM 1399 CG ARG A 84 9.728 1.350 -1.327 1.00 0.00 C ATOM 1400 CD ARG A 84 10.111 2.792 -1.619 1.00 0.00 C ATOM 1401 NE ARG A 84 11.433 2.894 -2.233 1.00 0.00 N ATOM 1402 CZ ARG A 84 12.165 4.002 -2.221 1.00 0.00 C ATOM 1403 NH1 ARG A 84 11.708 5.097 -1.629 1.00 0.00 N ATOM 1404 NH2 ARG A 84 13.358 4.016 -2.801 1.00 0.00 N ATOM 0 H ARG A 84 9.267 -0.540 0.833 1.00 0.00 H new ATOM 0 HA ARG A 84 9.059 2.293 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.919 0.307 -0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.730 2.043 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.496 0.887 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.688 0.787 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.368 3.237 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.096 3.366 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 84 11.814 2.069 -2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.792 5.090 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.273 5.946 -1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.714 3.175 -3.257 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.920 4.867 -2.791 1.00 0.00 H new ATOM 1418 N LEU A 85 6.649 2.802 1.653 1.00 0.00 N ATOM 1419 CA LEU A 85 5.332 3.087 2.213 1.00 0.00 C ATOM 1420 C LEU A 85 4.965 2.069 3.288 1.00 0.00 C ATOM 1421 O LEU A 85 3.801 1.693 3.431 1.00 0.00 O ATOM 1422 CB LEU A 85 4.274 3.082 1.107 1.00 0.00 C ATOM 1423 CG LEU A 85 4.053 4.411 0.384 1.00 0.00 C ATOM 1424 CD1 LEU A 85 4.976 4.524 -0.819 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.599 4.549 -0.042 1.00 0.00 C ATOM 0 H LEU A 85 7.189 3.630 1.401 1.00 0.00 H new ATOM 0 HA LEU A 85 5.365 4.075 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.553 2.331 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.325 2.765 1.540 1.00 0.00 H new ATOM 0 HG LEU A 85 4.288 5.222 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.804 5.476 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.013 4.470 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.773 3.707 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.459 5.500 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.338 3.732 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.957 4.514 0.838 1.00 0.00 H new ATOM 1437 N LEU A 86 5.965 1.628 4.043 1.00 0.00 N ATOM 1438 CA LEU A 86 5.748 0.654 5.107 1.00 0.00 C ATOM 1439 C LEU A 86 5.434 1.352 6.427 1.00 0.00 C ATOM 1440 O LEU A 86 6.092 2.324 6.800 1.00 0.00 O ATOM 1441 CB LEU A 86 6.980 -0.237 5.269 1.00 0.00 C ATOM 1442 CG LEU A 86 6.719 -1.661 5.760 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.846 -1.645 7.006 1.00 0.00 C ATOM 1444 CD2 LEU A 86 6.070 -2.493 4.664 1.00 0.00 C ATOM 0 H LEU A 86 6.934 1.929 3.938 1.00 0.00 H new ATOM 0 HA LEU A 86 4.894 0.035 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.491 -0.294 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.664 0.247 5.966 1.00 0.00 H new ATOM 0 HG LEU A 86 7.675 -2.117 6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.671 -2.667 7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.349 -1.086 7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.892 -1.170 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.892 -3.504 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.122 -2.039 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.731 -2.533 3.798 1.00 0.00 H new ATOM 1456 N PHE A 87 4.426 0.848 7.131 1.00 0.00 N ATOM 1457 CA PHE A 87 4.026 1.422 8.411 1.00 0.00 C ATOM 1458 C PHE A 87 3.767 0.327 9.441 1.00 0.00 C ATOM 1459 O PHE A 87 3.168 -0.703 9.131 1.00 0.00 O ATOM 1460 CB PHE A 87 2.772 2.282 8.238 1.00 0.00 C ATOM 1461 CG PHE A 87 2.878 3.279 7.120 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.891 4.225 7.111 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.965 3.272 6.078 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.991 5.144 6.084 1.00 0.00 C ATOM 1465 CE2 PHE A 87 2.060 4.189 5.048 1.00 0.00 C ATOM 1466 CZ PHE A 87 3.075 5.125 5.051 1.00 0.00 C ATOM 0 H PHE A 87 3.871 0.044 6.837 1.00 0.00 H new ATOM 0 HA PHE A 87 4.842 2.049 8.771 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.917 1.631 8.054 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.574 2.812 9.169 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.611 4.244 7.916 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.170 2.541 6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.785 5.876 6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.341 4.173 4.242 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.152 5.841 4.246 1.00 0.00 H new ATOM 1476 N ARG A 88 4.223 0.557 10.668 1.00 0.00 N ATOM 1477 CA ARG A 88 4.043 -0.410 11.744 1.00 0.00 C ATOM 1478 C ARG A 88 3.300 0.217 12.920 1.00 0.00 C ATOM 1479 O ARG A 88 3.784 1.164 13.540 1.00 0.00 O ATOM 1480 CB ARG A 88 5.399 -0.943 12.210 1.00 0.00 C ATOM 1481 CG ARG A 88 5.320 -1.784 13.474 1.00 0.00 C ATOM 1482 CD ARG A 88 6.616 -1.719 14.268 1.00 0.00 C ATOM 1483 NE ARG A 88 6.553 -2.524 15.485 1.00 0.00 N ATOM 1484 CZ ARG A 88 6.813 -3.826 15.519 1.00 0.00 C ATOM 1485 NH1 ARG A 88 7.151 -4.468 14.409 1.00 0.00 N ATOM 1486 NH2 ARG A 88 6.734 -4.490 16.665 1.00 0.00 N ATOM 0 H ARG A 88 4.720 1.405 10.942 1.00 0.00 H new ATOM 0 HA ARG A 88 3.447 -1.237 11.359 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.839 -1.542 11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.070 -0.102 12.384 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.494 -1.435 14.094 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.105 -2.820 13.211 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.440 -2.067 13.646 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.829 -0.683 14.530 1.00 0.00 H new ATOM 0 HE ARG A 88 6.295 -2.061 16.357 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.212 -3.962 13.526 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.350 -5.468 14.439 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.473 -4.001 17.521 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.934 -5.490 16.690 1.00 0.00 H new ATOM 1500 N PHE A 89 2.121 -0.317 13.220 1.00 0.00 N ATOM 1501 CA PHE A 89 1.309 0.191 14.320 1.00 0.00 C ATOM 1502 C PHE A 89 1.908 -0.206 15.666 1.00 0.00 C ATOM 1503 O PHE A 89 1.427 -1.127 16.324 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.123 -0.337 14.211 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.921 0.316 13.119 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -0.949 1.696 12.993 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.643 -0.450 12.218 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.682 2.300 11.989 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.378 0.149 11.212 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.398 1.525 11.098 1.00 0.00 C ATOM 0 H PHE A 89 1.706 -1.101 12.717 1.00 0.00 H new ATOM 0 HA PHE A 89 1.294 1.279 14.255 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.093 -1.412 14.035 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.632 -0.184 15.163 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.391 2.307 13.688 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.631 -1.527 12.303 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.695 3.376 11.901 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.936 -0.459 10.516 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.973 1.994 10.313 1.00 0.00 H new ATOM 1520 N MET A 90 2.962 0.497 16.068 1.00 0.00 N ATOM 1521 CA MET A 90 3.627 0.219 17.336 1.00 0.00 C ATOM 1522 C MET A 90 2.621 -0.226 18.392 1.00 0.00 C ATOM 1523 O MET A 90 2.593 -1.392 18.785 1.00 0.00 O ATOM 1524 CB MET A 90 4.381 1.458 17.823 1.00 0.00 C ATOM 1525 CG MET A 90 5.647 1.750 17.034 1.00 0.00 C ATOM 1526 SD MET A 90 6.768 2.862 17.904 1.00 0.00 S ATOM 1527 CE MET A 90 6.799 4.257 16.781 1.00 0.00 C ATOM 0 H MET A 90 3.374 1.263 15.535 1.00 0.00 H new ATOM 0 HA MET A 90 4.339 -0.591 17.174 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.719 2.322 17.764 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.640 1.326 18.873 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.163 0.813 16.823 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.378 2.190 16.074 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.793 4.704 16.784 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.556 3.919 15.774 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.067 4.998 17.101 1.00 0.00 H new ATOM 1537 N LYS A 91 1.795 0.710 18.847 1.00 0.00 N ATOM 1538 CA LYS A 91 0.785 0.414 19.857 1.00 0.00 C ATOM 1539 C LYS A 91 -0.596 0.286 19.224 1.00 0.00 C ATOM 1540 O LYS A 91 -0.834 0.778 18.120 1.00 0.00 O ATOM 1541 CB LYS A 91 0.768 1.509 20.926 1.00 0.00 C ATOM 1542 CG LYS A 91 1.582 1.165 22.162 1.00 0.00 C ATOM 1543 CD LYS A 91 3.019 1.642 22.035 1.00 0.00 C ATOM 1544 CE LYS A 91 3.120 3.153 22.181 1.00 0.00 C ATOM 1545 NZ LYS A 91 4.529 3.600 22.353 1.00 0.00 N ATOM 0 H LYS A 91 1.805 1.680 18.532 1.00 0.00 H new ATOM 0 HA LYS A 91 1.041 -0.537 20.323 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.152 2.433 20.494 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.263 1.700 21.222 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.123 1.621 23.039 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.568 0.086 22.319 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.632 1.160 22.797 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.419 1.341 21.067 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.692 3.632 21.301 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.529 3.475 23.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.632 4.079 23.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.161 2.775 22.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.780 4.259 21.589 1.00 0.00 H new ATOM 1559 N THR A 92 -1.507 -0.378 19.930 1.00 0.00 N ATOM 1560 CA THR A 92 -2.865 -0.570 19.437 1.00 0.00 C ATOM 1561 C THR A 92 -3.513 0.762 19.078 1.00 0.00 C ATOM 1562 O THR A 92 -3.383 1.756 19.792 1.00 0.00 O ATOM 1563 CB THR A 92 -3.743 -1.292 20.477 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.955 -2.232 21.216 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.900 -2.012 19.802 1.00 0.00 C ATOM 0 H THR A 92 -1.328 -0.792 20.845 1.00 0.00 H new ATOM 0 HA THR A 92 -2.792 -1.188 18.542 1.00 0.00 H new ATOM 0 HB THR A 92 -4.149 -0.545 21.158 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.520 -2.685 21.876 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.506 -2.514 20.556 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.515 -1.289 19.265 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.510 -2.749 19.100 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.230 0.785 17.944 1.00 0.00 N ATOM 1574 CA PRO A 93 -4.914 1.989 17.465 1.00 0.00 C ATOM 1575 C PRO A 93 -6.104 2.367 18.341 1.00 0.00 C ATOM 1576 O PRO A 93 -6.587 3.498 18.294 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.386 1.595 16.063 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.504 0.110 16.107 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.428 -0.363 17.043 1.00 0.00 C ATOM 0 HA PRO A 93 -4.261 2.862 17.480 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.341 2.061 15.821 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.674 1.913 15.301 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.490 -0.193 16.461 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.375 -0.321 15.114 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.735 -1.255 17.590 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.513 -0.616 16.508 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.572 1.413 19.138 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.705 1.647 20.026 1.00 0.00 C ATOM 1589 C ASP A 94 -7.230 2.029 21.424 1.00 0.00 C ATOM 1590 O ASP A 94 -8.033 2.381 22.288 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.590 0.401 20.098 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.656 0.384 19.020 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -9.293 0.398 17.825 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -10.854 0.357 19.372 1.00 0.00 O ATOM 0 H ASP A 94 -6.185 0.471 19.188 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.287 2.474 19.621 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.968 -0.489 20.003 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.067 0.354 21.077 1.00 0.00 H new ATOM 1599 N GLU A 95 -5.920 1.958 21.639 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.339 2.295 22.933 1.00 0.00 C ATOM 1601 C GLU A 95 -5.161 3.804 23.072 1.00 0.00 C ATOM 1602 O GLU A 95 -5.209 4.346 24.177 1.00 0.00 O ATOM 1603 CB GLU A 95 -3.992 1.593 23.111 1.00 0.00 C ATOM 1604 CG GLU A 95 -3.083 2.267 24.125 1.00 0.00 C ATOM 1605 CD GLU A 95 -3.795 2.589 25.424 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -4.520 1.710 25.936 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -3.630 3.719 25.928 1.00 0.00 O ATOM 0 H GLU A 95 -5.241 1.670 20.934 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.023 1.954 23.710 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.167 0.563 23.421 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.482 1.554 22.148 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.232 1.618 24.333 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.685 3.186 23.696 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.787 17.247 14.561 1.00 0.00 N ATOM 1795 CA LEU A 107 -5.231 17.184 13.214 1.00 0.00 C ATOM 1796 C LEU A 107 -6.289 16.746 12.208 1.00 0.00 C ATOM 1797 O LEU A 107 -5.972 16.147 11.181 1.00 0.00 O ATOM 1798 CB LEU A 107 -4.044 16.220 13.175 1.00 0.00 C ATOM 1799 CG LEU A 107 -2.675 16.828 13.485 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -2.241 17.762 12.367 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -2.707 17.565 14.816 1.00 0.00 C ATOM 0 HA LEU A 107 -4.889 18.183 12.942 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.231 15.416 13.886 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.002 15.767 12.185 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.948 16.019 13.558 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.265 18.185 12.605 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.177 17.205 11.432 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.969 18.566 12.261 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.725 17.991 15.020 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.447 18.364 14.772 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.973 16.869 15.611 1.00 0.00 H new ATOM 1813 N GLU A 108 -7.548 17.052 12.509 1.00 0.00 N ATOM 1814 CA GLU A 108 -8.653 16.691 11.629 1.00 0.00 C ATOM 1815 C GLU A 108 -8.646 17.548 10.367 1.00 0.00 C ATOM 1816 O GLU A 108 -9.077 17.108 9.301 1.00 0.00 O ATOM 1817 CB GLU A 108 -9.988 16.849 12.359 1.00 0.00 C ATOM 1818 CG GLU A 108 -10.202 18.235 12.943 1.00 0.00 C ATOM 1819 CD GLU A 108 -11.660 18.524 13.241 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -12.484 18.444 12.306 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -11.978 18.829 14.409 1.00 0.00 O ATOM 0 H GLU A 108 -7.827 17.549 13.355 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.527 15.648 11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.800 16.626 11.666 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.043 16.113 13.161 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.621 18.332 13.860 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.823 18.982 12.245 1.00 0.00 H new ATOM 1828 N SER A 109 -8.153 18.776 10.495 1.00 0.00 N ATOM 1829 CA SER A 109 -8.094 19.698 9.367 1.00 0.00 C ATOM 1830 C SER A 109 -6.729 20.376 9.290 1.00 0.00 C ATOM 1831 O SER A 109 -6.233 20.673 8.204 1.00 0.00 O ATOM 1832 CB SER A 109 -9.195 20.754 9.486 1.00 0.00 C ATOM 1833 OG SER A 109 -10.462 20.210 9.161 1.00 0.00 O ATOM 0 H SER A 109 -7.789 19.155 11.369 1.00 0.00 H new ATOM 0 HA SER A 109 -8.248 19.125 8.453 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.215 21.149 10.502 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.974 21.590 8.823 1.00 0.00 H new ATOM 0 HG SER A 109 -11.148 20.905 9.247 1.00 0.00 H new ATOM 1839 N GLN A 110 -6.129 20.617 10.452 1.00 0.00 N ATOM 1840 CA GLN A 110 -4.823 21.260 10.516 1.00 0.00 C ATOM 1841 C GLN A 110 -3.916 20.766 9.394 1.00 0.00 C ATOM 1842 O GLN A 110 -3.603 21.509 8.465 1.00 0.00 O ATOM 1843 CB GLN A 110 -4.166 20.994 11.872 1.00 0.00 C ATOM 1844 CG GLN A 110 -3.033 21.953 12.199 1.00 0.00 C ATOM 1845 CD GLN A 110 -2.154 21.455 13.329 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -2.617 20.748 14.225 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -0.879 21.822 13.293 1.00 0.00 N ATOM 0 H GLN A 110 -6.527 20.377 11.360 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.969 22.333 10.394 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.924 21.061 12.653 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -3.783 19.974 11.886 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.422 22.105 11.309 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.450 22.923 12.469 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -0.538 22.409 12.531 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.240 21.517 14.027 1.00 0.00 H new ATOM 1856 N GLU A 111 -3.499 19.507 9.487 1.00 0.00 N ATOM 1857 CA GLU A 111 -2.627 18.915 8.479 1.00 0.00 C ATOM 1858 C GLU A 111 -3.415 18.552 7.224 1.00 0.00 C ATOM 1859 O GLU A 111 -3.283 17.450 6.691 1.00 0.00 O ATOM 1860 CB GLU A 111 -1.936 17.670 9.039 1.00 0.00 C ATOM 1861 CG GLU A 111 -2.903 16.612 9.543 1.00 0.00 C ATOM 1862 CD GLU A 111 -3.308 15.629 8.461 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -2.456 15.300 7.610 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -4.477 15.189 8.466 1.00 0.00 O ATOM 0 H GLU A 111 -3.751 18.878 10.249 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.870 19.652 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.306 17.234 8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.277 17.967 9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.443 16.069 10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.794 17.099 9.939 1.00 0.00 H new ATOM 1871 N LEU A 112 -4.236 19.487 6.758 1.00 0.00 N ATOM 1872 CA LEU A 112 -5.047 19.267 5.565 1.00 0.00 C ATOM 1873 C LEU A 112 -5.462 20.593 4.936 1.00 0.00 C ATOM 1874 O LEU A 112 -5.735 21.566 5.639 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.289 18.444 5.914 1.00 0.00 C ATOM 1876 CG LEU A 112 -6.103 16.927 5.940 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -7.424 16.232 6.235 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -5.524 16.437 4.621 1.00 0.00 C ATOM 0 H LEU A 112 -4.358 20.404 7.188 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.445 18.717 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.648 18.763 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.072 18.682 5.194 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.400 16.681 6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.272 15.153 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.798 16.559 7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.149 16.486 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.399 15.355 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.202 16.696 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.556 16.909 4.451 1.00 0.00 H new