USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1108 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 11 TYR OH : rot -139:sc= 2.01 USER MOD Set 1.2: A 168 LYS NZ :NH3+ -158:sc= 1.64 (180deg=0.0445) USER MOD Set 2.1: A 138 SER OG : rot 9:sc= 1.79 USER MOD Set 2.2: A 160 TYR OH : rot 121:sc= 1.19 USER MOD Set 3.1: A 19 GLN : amide:sc= -0.622 K(o=0.22,f=-2.6) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.839 K(o=0.22,f=-3.3) USER MOD Set 4.1: A 17 THR OG1 : rot -72:sc= 1.06 USER MOD Set 4.2: A 27 SER OG : rot 146:sc= 1.7 USER MOD Single : A 10 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.75) USER MOD Single : A 20 ASN : amide:sc= 1.52 K(o=1.5,f=-11!) USER MOD Single : A 21 GLN : amide:sc= 0.0892 K(o=0.089,f=-1.5) USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= 1.26 (180deg=1.21) USER MOD Single : A 30 SER OG : rot -57:sc= 2.09 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 56:sc= -0.159 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -170:sc= -0.213 USER MOD Single : A 55 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.032) USER MOD Single : A 56 MET CE :methyl 150:sc= -3.82 (180deg=-8.89!) USER MOD Single : A 57 THR OG1 : rot -102:sc= 1.18 USER MOD Single : A 60 GLN : amide:sc= -0.214 K(o=-0.21,f=-4.4!) USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 0.921 (180deg=-0.216) USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= 0.0923! (180deg=-2.92!) USER MOD Single : A 64 LYS NZ :NH3+ -146:sc= 0.43 (180deg=-1.4!) USER MOD Single : A 67 ASN : amide:sc= 0.6 K(o=0.6,f=-0.88) USER MOD Single : A 74 SER OG : rot -71:sc= 1.84 USER MOD Single : A 76 SER OG : rot 160:sc=-7.17e-05 USER MOD Single : A 81 ASN : amide:sc= 0.493 K(o=0.49,f=-0.051) USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= 1.04 (180deg=0.872) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 1.13 K(o=1.1,f=-0.55) USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= 2.28 (180deg=2.05) USER MOD Single : A 89 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00861) USER MOD Single : A 93 ASN : amide:sc= -0.0428 K(o=-0.043,f=-1.2) USER MOD Single : A 94 TYR OH : rot 164:sc= 0.843 USER MOD Single : A 97 SER OG : rot -173:sc= 1.26 USER MOD Single : A 100 ASN : amide:sc= 0.496 K(o=0.5,f=-1.6) USER MOD Single : A 105 THR OG1 : rot -68:sc= 0.2 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -87:sc= 1.93 USER MOD Single : A 109 GLN :FLIP amide:sc= -0.283 F(o=-1.7,f=-0.28) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -176:sc= 2.39 (180deg=2.26) USER MOD Single : A 119 SER OG : rot 81:sc= 1.94 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.106) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -0.0528 X(o=-0.053,f=-0.076) USER MOD Single : A 165 SER OG : rot 79:sc= 0.407 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 171 SER OG : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot 46:sc= -0.158 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -15.944 -10.623 10.075 1.00 1.46 N ATOM 113 CA ASP A 7 -15.768 -10.078 8.733 1.00 1.14 C ATOM 114 C ASP A 7 -14.298 -10.138 8.289 1.00 0.90 C ATOM 115 O ASP A 7 -13.700 -9.100 8.018 1.00 1.08 O ATOM 116 CB ASP A 7 -16.329 -8.639 8.732 1.00 1.50 C ATOM 117 CG ASP A 7 -17.775 -8.615 9.202 1.00 3.19 C ATOM 118 OD1 ASP A 7 -17.995 -8.477 10.426 1.00 3.93 O ATOM 119 OD2 ASP A 7 -18.649 -8.912 8.362 1.00 4.48 O ATOM 0 HA ASP A 7 -16.314 -10.678 8.005 1.00 1.14 H new ATOM 0 HB2 ASP A 7 -15.722 -8.008 9.381 1.00 1.50 H new ATOM 0 HB3 ASP A 7 -16.263 -8.220 7.728 1.00 1.50 H new ATOM 124 N PRO A 8 -13.690 -11.334 8.207 1.00 0.84 N ATOM 125 CA PRO A 8 -12.303 -11.483 7.794 1.00 0.90 C ATOM 126 C PRO A 8 -12.165 -11.420 6.270 1.00 0.85 C ATOM 127 O PRO A 8 -13.105 -11.732 5.532 1.00 1.18 O ATOM 128 CB PRO A 8 -11.888 -12.862 8.311 1.00 1.17 C ATOM 129 CG PRO A 8 -13.187 -13.661 8.205 1.00 1.24 C ATOM 130 CD PRO A 8 -14.248 -12.625 8.581 1.00 1.10 C ATOM 0 HA PRO A 8 -11.677 -10.682 8.188 1.00 0.90 H new ATOM 0 HB2 PRO A 8 -11.093 -13.299 7.707 1.00 1.17 H new ATOM 0 HB3 PRO A 8 -11.522 -12.817 9.337 1.00 1.17 H new ATOM 0 HG2 PRO A 8 -13.341 -14.052 7.199 1.00 1.24 H new ATOM 0 HG3 PRO A 8 -13.195 -14.514 8.884 1.00 1.24 H new ATOM 0 HD2 PRO A 8 -15.183 -12.814 8.054 1.00 1.10 H new ATOM 0 HD3 PRO A 8 -14.470 -12.661 9.648 1.00 1.10 H new ATOM 138 N LEU A 9 -10.955 -11.081 5.813 1.00 0.68 N ATOM 139 CA LEU A 9 -10.480 -11.292 4.448 1.00 0.58 C ATOM 140 C LEU A 9 -9.362 -12.340 4.505 1.00 0.60 C ATOM 141 O LEU A 9 -8.858 -12.645 5.586 1.00 0.67 O ATOM 142 CB LEU A 9 -10.058 -10.001 3.724 1.00 0.62 C ATOM 143 CG LEU A 9 -10.055 -8.750 4.598 1.00 0.73 C ATOM 144 CD1 LEU A 9 -9.160 -7.703 3.951 1.00 0.87 C ATOM 145 CD2 LEU A 9 -11.453 -8.173 4.844 1.00 0.76 C ATOM 0 H LEU A 9 -10.256 -10.636 6.408 1.00 0.68 H new ATOM 0 HA LEU A 9 -11.306 -11.657 3.837 1.00 0.58 H new ATOM 0 HB2 LEU A 9 -9.059 -10.142 3.312 1.00 0.62 H new ATOM 0 HB3 LEU A 9 -10.730 -9.837 2.881 1.00 0.62 H new ATOM 0 HG LEU A 9 -9.673 -9.037 5.578 1.00 0.73 H new ATOM 0 HD11 LEU A 9 -9.149 -6.803 4.566 1.00 0.87 H new ATOM 0 HD12 LEU A 9 -8.147 -8.095 3.863 1.00 0.87 H new ATOM 0 HD13 LEU A 9 -9.542 -7.460 2.960 1.00 0.87 H new ATOM 0 HD21 LEU A 9 -11.375 -7.286 5.472 1.00 0.76 H new ATOM 0 HD22 LEU A 9 -11.908 -7.904 3.891 1.00 0.76 H new ATOM 0 HD23 LEU A 9 -12.071 -8.918 5.344 1.00 0.76 H new ATOM 157 N ASN A 10 -8.987 -12.909 3.356 1.00 0.64 N ATOM 158 CA ASN A 10 -7.900 -13.878 3.231 1.00 0.78 C ATOM 159 C ASN A 10 -7.317 -13.713 1.826 1.00 0.82 C ATOM 160 O ASN A 10 -7.315 -14.641 1.023 1.00 0.97 O ATOM 161 CB ASN A 10 -8.386 -15.328 3.447 1.00 0.98 C ATOM 162 CG ASN A 10 -9.173 -15.554 4.737 1.00 1.36 C ATOM 163 OD1 ASN A 10 -10.344 -15.195 4.842 1.00 3.08 O ATOM 164 ND2 ASN A 10 -8.547 -16.168 5.739 1.00 1.90 N ATOM 0 H ASN A 10 -9.443 -12.702 2.467 1.00 0.64 H new ATOM 0 HA ASN A 10 -7.149 -13.692 3.999 1.00 0.78 H new ATOM 0 HB2 ASN A 10 -9.010 -15.617 2.602 1.00 0.98 H new ATOM 0 HB3 ASN A 10 -7.521 -15.991 3.445 1.00 0.98 H new ATOM 0 HD21 ASN A 10 -9.039 -16.348 6.614 1.00 1.90 H new ATOM 0 HD22 ASN A 10 -7.575 -16.458 5.632 1.00 1.90 H new ATOM 171 N TYR A 11 -6.858 -12.501 1.507 1.00 0.74 N ATOM 172 CA TYR A 11 -6.711 -12.085 0.114 1.00 0.80 C ATOM 173 C TYR A 11 -5.267 -12.253 -0.362 1.00 0.71 C ATOM 174 O TYR A 11 -4.431 -11.402 -0.083 1.00 0.57 O ATOM 175 CB TYR A 11 -7.201 -10.634 0.012 1.00 0.82 C ATOM 176 CG TYR A 11 -7.687 -10.116 -1.335 1.00 0.89 C ATOM 177 CD1 TYR A 11 -8.229 -10.970 -2.320 1.00 2.27 C ATOM 178 CD2 TYR A 11 -7.734 -8.721 -1.533 1.00 1.55 C ATOM 179 CE1 TYR A 11 -8.808 -10.433 -3.479 1.00 2.36 C ATOM 180 CE2 TYR A 11 -8.331 -8.186 -2.687 1.00 1.57 C ATOM 181 CZ TYR A 11 -8.839 -9.045 -3.674 1.00 1.16 C ATOM 182 OH TYR A 11 -9.637 -8.550 -4.664 1.00 1.30 O ATOM 0 H TYR A 11 -6.584 -11.796 2.191 1.00 0.74 H new ATOM 0 HA TYR A 11 -7.310 -12.715 -0.544 1.00 0.80 H new ATOM 0 HB2 TYR A 11 -8.015 -10.510 0.726 1.00 0.82 H new ATOM 0 HB3 TYR A 11 -6.387 -9.987 0.340 1.00 0.82 H new ATOM 0 HD1 TYR A 11 -8.198 -12.040 -2.180 1.00 2.27 H new ATOM 0 HD2 TYR A 11 -7.308 -8.059 -0.793 1.00 1.55 H new ATOM 0 HE1 TYR A 11 -9.231 -11.091 -4.224 1.00 2.36 H new ATOM 0 HE2 TYR A 11 -8.399 -7.116 -2.814 1.00 1.57 H new ATOM 0 HH TYR A 11 -9.168 -7.828 -5.132 1.00 1.30 H new ATOM 192 N GLU A 12 -4.939 -13.367 -1.021 1.00 0.89 N ATOM 193 CA GLU A 12 -3.549 -13.765 -1.194 1.00 0.86 C ATOM 194 C GLU A 12 -2.835 -12.959 -2.282 1.00 0.76 C ATOM 195 O GLU A 12 -3.157 -13.091 -3.466 1.00 0.96 O ATOM 196 CB GLU A 12 -3.482 -15.287 -1.369 1.00 1.27 C ATOM 197 CG GLU A 12 -2.123 -15.835 -0.917 1.00 2.33 C ATOM 198 CD GLU A 12 -2.276 -17.173 -0.209 1.00 3.01 C ATOM 199 OE1 GLU A 12 -2.388 -18.189 -0.925 1.00 3.23 O ATOM 200 OE2 GLU A 12 -2.323 -17.137 1.041 1.00 4.12 O ATOM 0 H GLU A 12 -5.617 -14.004 -1.440 1.00 0.89 H new ATOM 0 HA GLU A 12 -2.983 -13.520 -0.295 1.00 0.86 H new ATOM 0 HB2 GLU A 12 -4.278 -15.758 -0.792 1.00 1.27 H new ATOM 0 HB3 GLU A 12 -3.652 -15.544 -2.415 1.00 1.27 H new ATOM 0 HG2 GLU A 12 -1.469 -15.951 -1.781 1.00 2.33 H new ATOM 0 HG3 GLU A 12 -1.644 -15.120 -0.248 1.00 2.33 H new ATOM 207 N VAL A 13 -1.881 -12.107 -1.878 1.00 0.59 N ATOM 208 CA VAL A 13 -1.106 -11.287 -2.794 1.00 0.58 C ATOM 209 C VAL A 13 -0.012 -12.123 -3.463 1.00 0.61 C ATOM 210 O VAL A 13 0.481 -13.087 -2.882 1.00 0.79 O ATOM 211 CB VAL A 13 -0.544 -10.031 -2.099 1.00 0.62 C ATOM 212 CG1 VAL A 13 -1.580 -9.323 -1.220 1.00 1.83 C ATOM 213 CG2 VAL A 13 0.721 -10.270 -1.280 1.00 1.45 C ATOM 0 H VAL A 13 -1.631 -11.974 -0.898 1.00 0.59 H new ATOM 0 HA VAL A 13 -1.771 -10.927 -3.579 1.00 0.58 H new ATOM 0 HB VAL A 13 -0.276 -9.385 -2.935 1.00 0.62 H new ATOM 0 HG11 VAL A 13 -1.126 -8.447 -0.757 1.00 1.83 H new ATOM 0 HG12 VAL A 13 -2.426 -9.013 -1.833 1.00 1.83 H new ATOM 0 HG13 VAL A 13 -1.926 -10.005 -0.444 1.00 1.83 H new ATOM 0 HG21 VAL A 13 1.044 -9.332 -0.828 1.00 1.45 H new ATOM 0 HG22 VAL A 13 0.515 -10.999 -0.496 1.00 1.45 H new ATOM 0 HG23 VAL A 13 1.509 -10.650 -1.930 1.00 1.45 H new ATOM 223 N GLU A 14 0.353 -11.756 -4.692 1.00 0.69 N ATOM 224 CA GLU A 14 1.288 -12.512 -5.513 1.00 0.77 C ATOM 225 C GLU A 14 2.738 -12.170 -5.120 1.00 0.68 C ATOM 226 O GLU A 14 3.093 -10.990 -5.145 1.00 0.72 O ATOM 227 CB GLU A 14 0.993 -12.204 -6.982 1.00 1.02 C ATOM 228 CG GLU A 14 1.641 -13.175 -7.975 1.00 1.75 C ATOM 229 CD GLU A 14 1.080 -14.587 -7.861 1.00 2.00 C ATOM 230 OE1 GLU A 14 -0.043 -14.795 -8.368 1.00 2.37 O ATOM 231 OE2 GLU A 14 1.763 -15.426 -7.239 1.00 3.28 O ATOM 0 H GLU A 14 0.001 -10.914 -5.147 1.00 0.69 H new ATOM 0 HA GLU A 14 1.167 -13.583 -5.352 1.00 0.77 H new ATOM 0 HB2 GLU A 14 -0.086 -12.215 -7.133 1.00 1.02 H new ATOM 0 HB3 GLU A 14 1.336 -11.193 -7.205 1.00 1.02 H new ATOM 0 HG2 GLU A 14 1.488 -12.808 -8.990 1.00 1.75 H new ATOM 0 HG3 GLU A 14 2.717 -13.200 -7.804 1.00 1.75 H new ATOM 238 N PRO A 15 3.587 -13.140 -4.738 1.00 0.63 N ATOM 239 CA PRO A 15 5.004 -12.897 -4.504 1.00 0.64 C ATOM 240 C PRO A 15 5.716 -12.359 -5.747 1.00 0.59 C ATOM 241 O PRO A 15 5.300 -12.624 -6.871 1.00 0.70 O ATOM 242 CB PRO A 15 5.596 -14.242 -4.068 1.00 0.72 C ATOM 243 CG PRO A 15 4.390 -14.997 -3.510 1.00 0.74 C ATOM 244 CD PRO A 15 3.256 -14.519 -4.416 1.00 0.68 C ATOM 0 HA PRO A 15 5.138 -12.130 -3.741 1.00 0.64 H new ATOM 0 HB2 PRO A 15 6.049 -14.772 -4.906 1.00 0.72 H new ATOM 0 HB3 PRO A 15 6.373 -14.113 -3.315 1.00 0.72 H new ATOM 0 HG2 PRO A 15 4.526 -16.077 -3.565 1.00 0.74 H new ATOM 0 HG3 PRO A 15 4.205 -14.752 -2.464 1.00 0.74 H new ATOM 0 HD2 PRO A 15 3.187 -15.129 -5.317 1.00 0.68 H new ATOM 0 HD3 PRO A 15 2.292 -14.586 -3.911 1.00 0.68 H new ATOM 252 N PHE A 16 6.812 -11.620 -5.548 1.00 0.51 N ATOM 253 CA PHE A 16 7.641 -11.075 -6.604 1.00 0.54 C ATOM 254 C PHE A 16 8.879 -10.535 -5.893 1.00 0.57 C ATOM 255 O PHE A 16 8.893 -10.505 -4.657 1.00 0.61 O ATOM 256 CB PHE A 16 6.891 -9.967 -7.361 1.00 0.74 C ATOM 257 CG PHE A 16 7.571 -9.520 -8.638 1.00 0.95 C ATOM 258 CD1 PHE A 16 7.538 -10.354 -9.771 1.00 1.93 C ATOM 259 CD2 PHE A 16 8.267 -8.296 -8.689 1.00 2.43 C ATOM 260 CE1 PHE A 16 8.204 -9.971 -10.947 1.00 2.09 C ATOM 261 CE2 PHE A 16 8.953 -7.927 -9.858 1.00 2.61 C ATOM 262 CZ PHE A 16 8.919 -8.761 -10.988 1.00 1.58 C ATOM 0 H PHE A 16 7.149 -11.383 -4.615 1.00 0.51 H new ATOM 0 HA PHE A 16 7.907 -11.820 -7.354 1.00 0.54 H new ATOM 0 HB2 PHE A 16 5.888 -10.321 -7.601 1.00 0.74 H new ATOM 0 HB3 PHE A 16 6.776 -9.106 -6.703 1.00 0.74 H new ATOM 0 HD1 PHE A 16 7.000 -11.290 -9.736 1.00 1.93 H new ATOM 0 HD2 PHE A 16 8.273 -7.642 -7.830 1.00 2.43 H new ATOM 0 HE1 PHE A 16 8.167 -10.606 -11.820 1.00 2.09 H new ATOM 0 HE2 PHE A 16 9.507 -7.001 -9.888 1.00 2.61 H new ATOM 0 HZ PHE A 16 9.442 -8.473 -11.888 1.00 1.58 H new ATOM 272 N THR A 17 9.887 -10.111 -6.654 1.00 0.66 N ATOM 273 CA THR A 17 11.064 -9.440 -6.136 1.00 0.69 C ATOM 274 C THR A 17 11.044 -7.993 -6.612 1.00 0.72 C ATOM 275 O THR A 17 11.367 -7.700 -7.764 1.00 1.02 O ATOM 276 CB THR A 17 12.332 -10.186 -6.550 1.00 0.74 C ATOM 277 OG1 THR A 17 12.256 -11.514 -6.075 1.00 0.77 O ATOM 278 CG2 THR A 17 13.537 -9.509 -5.898 1.00 0.74 C ATOM 0 H THR A 17 9.902 -10.230 -7.667 1.00 0.66 H new ATOM 0 HA THR A 17 11.058 -9.439 -5.046 1.00 0.69 H new ATOM 0 HB THR A 17 12.432 -10.176 -7.635 1.00 0.74 H new ATOM 0 HG1 THR A 17 12.367 -11.520 -5.101 1.00 0.77 H new ATOM 0 HG21 THR A 17 14.449 -10.033 -6.186 1.00 0.74 H new ATOM 0 HG22 THR A 17 13.595 -8.472 -6.228 1.00 0.74 H new ATOM 0 HG23 THR A 17 13.429 -9.539 -4.814 1.00 0.74 H new ATOM 286 N PHE A 18 10.658 -7.089 -5.715 1.00 0.53 N ATOM 287 CA PHE A 18 10.461 -5.691 -6.036 1.00 0.53 C ATOM 288 C PHE A 18 11.716 -4.925 -5.662 1.00 0.48 C ATOM 289 O PHE A 18 12.597 -5.446 -4.975 1.00 0.45 O ATOM 290 CB PHE A 18 9.325 -5.122 -5.189 1.00 0.51 C ATOM 291 CG PHE A 18 8.044 -5.934 -5.187 1.00 0.46 C ATOM 292 CD1 PHE A 18 7.049 -5.688 -6.153 1.00 1.55 C ATOM 293 CD2 PHE A 18 7.825 -6.906 -4.192 1.00 1.58 C ATOM 294 CE1 PHE A 18 5.832 -6.390 -6.107 1.00 1.64 C ATOM 295 CE2 PHE A 18 6.617 -7.622 -4.160 1.00 1.50 C ATOM 296 CZ PHE A 18 5.610 -7.347 -5.101 1.00 0.52 C ATOM 0 H PHE A 18 10.473 -7.315 -4.738 1.00 0.53 H new ATOM 0 HA PHE A 18 10.233 -5.600 -7.098 1.00 0.53 H new ATOM 0 HB2 PHE A 18 9.675 -5.025 -4.161 1.00 0.51 H new ATOM 0 HB3 PHE A 18 9.097 -4.117 -5.545 1.00 0.51 H new ATOM 0 HD1 PHE A 18 7.221 -4.959 -6.931 1.00 1.55 H new ATOM 0 HD2 PHE A 18 8.587 -7.101 -3.452 1.00 1.58 H new ATOM 0 HE1 PHE A 18 5.068 -6.194 -6.844 1.00 1.64 H new ATOM 0 HE2 PHE A 18 6.462 -8.385 -3.411 1.00 1.50 H new ATOM 0 HZ PHE A 18 4.667 -7.870 -5.051 1.00 0.52 H new ATOM 306 N GLN A 19 11.760 -3.661 -6.080 1.00 0.49 N ATOM 307 CA GLN A 19 12.822 -2.747 -5.735 1.00 0.50 C ATOM 308 C GLN A 19 12.194 -1.524 -5.086 1.00 0.51 C ATOM 309 O GLN A 19 11.155 -1.038 -5.534 1.00 0.53 O ATOM 310 CB GLN A 19 13.651 -2.378 -6.958 1.00 0.62 C ATOM 311 CG GLN A 19 14.310 -3.622 -7.569 1.00 0.70 C ATOM 312 CD GLN A 19 13.332 -4.555 -8.290 1.00 2.51 C ATOM 313 OE1 GLN A 19 12.403 -4.102 -8.953 1.00 3.11 O ATOM 314 NE2 GLN A 19 13.483 -5.864 -8.100 1.00 3.99 N ATOM 0 H GLN A 19 11.043 -3.247 -6.676 1.00 0.49 H new ATOM 0 HA GLN A 19 13.511 -3.218 -5.034 1.00 0.50 H new ATOM 0 HB2 GLN A 19 13.016 -1.896 -7.701 1.00 0.62 H new ATOM 0 HB3 GLN A 19 14.418 -1.656 -6.678 1.00 0.62 H new ATOM 0 HG2 GLN A 19 15.079 -3.304 -8.273 1.00 0.70 H new ATOM 0 HG3 GLN A 19 14.812 -4.180 -6.779 1.00 0.70 H new ATOM 0 HE21 GLN A 19 14.265 -6.212 -7.544 1.00 3.99 H new ATOM 0 HE22 GLN A 19 12.817 -6.519 -8.510 1.00 3.99 H new ATOM 323 N ASN A 20 12.805 -1.072 -3.998 1.00 0.53 N ATOM 324 CA ASN A 20 12.317 0.036 -3.194 1.00 0.53 C ATOM 325 C ASN A 20 12.906 1.392 -3.595 1.00 0.53 C ATOM 326 O ASN A 20 13.788 1.499 -4.446 1.00 0.59 O ATOM 327 CB ASN A 20 12.441 -0.283 -1.692 1.00 0.54 C ATOM 328 CG ASN A 20 13.820 -0.013 -1.106 1.00 0.65 C ATOM 329 OD1 ASN A 20 14.742 0.383 -1.813 1.00 1.02 O ATOM 330 ND2 ASN A 20 13.971 -0.200 0.198 1.00 0.63 N ATOM 0 H ASN A 20 13.672 -1.476 -3.644 1.00 0.53 H new ATOM 0 HA ASN A 20 11.254 0.148 -3.406 1.00 0.53 H new ATOM 0 HB2 ASN A 20 11.705 0.307 -1.145 1.00 0.54 H new ATOM 0 HB3 ASN A 20 12.191 -1.332 -1.533 1.00 0.54 H new ATOM 0 HD21 ASN A 20 14.872 -0.014 0.639 1.00 0.63 H new ATOM 0 HD22 ASN A 20 13.186 -0.530 0.760 1.00 0.63 H new ATOM 337 N GLN A 21 12.418 2.436 -2.922 1.00 0.55 N ATOM 338 CA GLN A 21 12.810 3.837 -3.031 1.00 0.66 C ATOM 339 C GLN A 21 14.304 4.088 -2.805 1.00 0.71 C ATOM 340 O GLN A 21 14.786 5.203 -3.021 1.00 0.93 O ATOM 341 CB GLN A 21 11.993 4.645 -2.013 1.00 0.95 C ATOM 342 CG GLN A 21 12.121 4.099 -0.570 1.00 1.28 C ATOM 343 CD GLN A 21 11.451 5.003 0.462 1.00 2.02 C ATOM 344 OE1 GLN A 21 11.258 6.189 0.215 1.00 2.74 O ATOM 345 NE2 GLN A 21 11.075 4.474 1.624 1.00 2.94 N ATOM 0 H GLN A 21 11.678 2.310 -2.231 1.00 0.55 H new ATOM 0 HA GLN A 21 12.608 4.150 -4.056 1.00 0.66 H new ATOM 0 HB2 GLN A 21 12.321 5.684 -2.034 1.00 0.95 H new ATOM 0 HB3 GLN A 21 10.944 4.636 -2.308 1.00 0.95 H new ATOM 0 HG2 GLN A 21 11.676 3.105 -0.521 1.00 1.28 H new ATOM 0 HG3 GLN A 21 13.176 3.988 -0.320 1.00 1.28 H new ATOM 0 HE21 GLN A 21 11.243 3.486 1.813 1.00 2.94 H new ATOM 0 HE22 GLN A 21 10.619 5.057 2.326 1.00 2.94 H new ATOM 354 N ASP A 22 15.021 3.087 -2.304 1.00 0.72 N ATOM 355 CA ASP A 22 16.438 3.108 -2.007 1.00 0.77 C ATOM 356 C ASP A 22 17.200 2.205 -2.986 1.00 0.69 C ATOM 357 O ASP A 22 18.351 1.851 -2.752 1.00 0.81 O ATOM 358 CB ASP A 22 16.599 2.744 -0.525 1.00 0.92 C ATOM 359 CG ASP A 22 17.525 3.721 0.181 1.00 1.85 C ATOM 360 OD1 ASP A 22 17.152 4.919 0.183 1.00 2.98 O ATOM 361 OD2 ASP A 22 18.563 3.270 0.704 1.00 2.76 O ATOM 0 H ASP A 22 14.596 2.186 -2.083 1.00 0.72 H new ATOM 0 HA ASP A 22 16.880 4.094 -2.151 1.00 0.77 H new ATOM 0 HB2 ASP A 22 15.624 2.747 -0.039 1.00 0.92 H new ATOM 0 HB3 ASP A 22 16.996 1.733 -0.437 1.00 0.92 H new ATOM 366 N GLY A 23 16.559 1.840 -4.107 1.00 0.66 N ATOM 367 CA GLY A 23 17.129 0.970 -5.126 1.00 0.72 C ATOM 368 C GLY A 23 17.414 -0.424 -4.570 1.00 0.75 C ATOM 369 O GLY A 23 18.222 -1.165 -5.124 1.00 1.00 O ATOM 0 H GLY A 23 15.613 2.151 -4.327 1.00 0.66 H new ATOM 0 HA2 GLY A 23 16.441 0.894 -5.968 1.00 0.72 H new ATOM 0 HA3 GLY A 23 18.052 1.408 -5.506 1.00 0.72 H new ATOM 373 N LYS A 24 16.757 -0.778 -3.464 1.00 0.62 N ATOM 374 CA LYS A 24 17.094 -1.930 -2.661 1.00 0.60 C ATOM 375 C LYS A 24 16.082 -3.025 -2.988 1.00 0.51 C ATOM 376 O LYS A 24 14.876 -2.776 -2.994 1.00 0.50 O ATOM 377 CB LYS A 24 17.074 -1.474 -1.194 1.00 0.70 C ATOM 378 CG LYS A 24 17.903 -2.312 -0.228 1.00 0.79 C ATOM 379 CD LYS A 24 17.073 -3.513 0.255 1.00 1.58 C ATOM 380 CE LYS A 24 17.935 -4.690 0.727 1.00 2.20 C ATOM 381 NZ LYS A 24 17.113 -5.905 0.908 1.00 3.30 N ATOM 0 H LYS A 24 15.960 -0.253 -3.103 1.00 0.62 H new ATOM 0 HA LYS A 24 18.084 -2.340 -2.862 1.00 0.60 H new ATOM 0 HB2 LYS A 24 17.428 -0.444 -1.148 1.00 0.70 H new ATOM 0 HB3 LYS A 24 16.040 -1.471 -0.848 1.00 0.70 H new ATOM 0 HG2 LYS A 24 18.812 -2.659 -0.719 1.00 0.79 H new ATOM 0 HG3 LYS A 24 18.212 -1.705 0.623 1.00 0.79 H new ATOM 0 HD2 LYS A 24 16.425 -3.194 1.072 1.00 1.58 H new ATOM 0 HD3 LYS A 24 16.424 -3.847 -0.554 1.00 1.58 H new ATOM 0 HE2 LYS A 24 18.723 -4.884 -0.001 1.00 2.20 H new ATOM 0 HE3 LYS A 24 18.425 -4.434 1.666 1.00 2.20 H new ATOM 0 HZ1 LYS A 24 17.706 -6.749 0.774 1.00 3.30 H new ATOM 0 HZ2 LYS A 24 16.712 -5.913 1.867 1.00 3.30 H new ATOM 0 HZ3 LYS A 24 16.342 -5.910 0.210 1.00 3.30 H new ATOM 395 N ASN A 25 16.573 -4.234 -3.272 1.00 0.52 N ATOM 396 CA ASN A 25 15.720 -5.353 -3.654 1.00 0.50 C ATOM 397 C ASN A 25 15.066 -5.951 -2.413 1.00 0.50 C ATOM 398 O ASN A 25 15.745 -6.194 -1.408 1.00 0.57 O ATOM 399 CB ASN A 25 16.500 -6.430 -4.420 1.00 0.56 C ATOM 400 CG ASN A 25 16.605 -6.104 -5.906 1.00 1.94 C ATOM 401 OD1 ASN A 25 15.833 -6.616 -6.712 1.00 3.53 O ATOM 402 ND2 ASN A 25 17.537 -5.237 -6.291 1.00 3.13 N ATOM 0 H ASN A 25 17.567 -4.460 -3.243 1.00 0.52 H new ATOM 0 HA ASN A 25 14.948 -4.974 -4.324 1.00 0.50 H new ATOM 0 HB2 ASN A 25 17.500 -6.524 -3.997 1.00 0.56 H new ATOM 0 HB3 ASN A 25 16.008 -7.394 -4.293 1.00 0.56 H new ATOM 0 HD21 ASN A 25 17.622 -4.984 -7.275 1.00 3.13 H new ATOM 0 HD22 ASN A 25 18.166 -4.825 -5.602 1.00 3.13 H new ATOM 409 N VAL A 26 13.756 -6.185 -2.486 1.00 0.45 N ATOM 410 CA VAL A 26 12.948 -6.776 -1.436 1.00 0.43 C ATOM 411 C VAL A 26 11.875 -7.649 -2.094 1.00 0.40 C ATOM 412 O VAL A 26 11.065 -7.157 -2.880 1.00 0.51 O ATOM 413 CB VAL A 26 12.335 -5.686 -0.528 1.00 0.49 C ATOM 414 CG1 VAL A 26 13.345 -5.190 0.514 1.00 1.04 C ATOM 415 CG2 VAL A 26 11.802 -4.468 -1.293 1.00 0.86 C ATOM 0 H VAL A 26 13.212 -5.955 -3.317 1.00 0.45 H new ATOM 0 HA VAL A 26 13.566 -7.397 -0.788 1.00 0.43 H new ATOM 0 HB VAL A 26 11.491 -6.177 -0.043 1.00 0.49 H new ATOM 0 HG11 VAL A 26 12.880 -4.424 1.135 1.00 1.04 H new ATOM 0 HG12 VAL A 26 13.660 -6.024 1.141 1.00 1.04 H new ATOM 0 HG13 VAL A 26 14.213 -4.769 0.007 1.00 1.04 H new ATOM 0 HG21 VAL A 26 11.388 -3.748 -0.587 1.00 0.86 H new ATOM 0 HG22 VAL A 26 12.616 -4.004 -1.850 1.00 0.86 H new ATOM 0 HG23 VAL A 26 11.023 -4.786 -1.986 1.00 0.86 H new ATOM 425 N SER A 27 11.880 -8.947 -1.786 1.00 0.53 N ATOM 426 CA SER A 27 10.827 -9.864 -2.194 1.00 0.50 C ATOM 427 C SER A 27 9.852 -10.080 -1.044 1.00 0.57 C ATOM 428 O SER A 27 10.202 -9.849 0.119 1.00 0.69 O ATOM 429 CB SER A 27 11.415 -11.229 -2.568 1.00 0.54 C ATOM 430 OG SER A 27 12.603 -11.162 -3.322 1.00 1.71 O ATOM 0 H SER A 27 12.622 -9.389 -1.243 1.00 0.53 H new ATOM 0 HA SER A 27 10.319 -9.427 -3.054 1.00 0.50 H new ATOM 0 HB2 SER A 27 11.610 -11.790 -1.654 1.00 0.54 H new ATOM 0 HB3 SER A 27 10.671 -11.789 -3.134 1.00 0.54 H new ATOM 0 HG SER A 27 13.186 -11.912 -3.081 1.00 1.71 H new ATOM 436 N LEU A 28 8.678 -10.642 -1.356 1.00 0.59 N ATOM 437 CA LEU A 28 7.763 -11.149 -0.341 1.00 0.70 C ATOM 438 C LEU A 28 8.465 -12.108 0.624 1.00 0.74 C ATOM 439 O LEU A 28 8.089 -12.178 1.787 1.00 0.85 O ATOM 440 CB LEU A 28 6.539 -11.819 -0.985 1.00 0.72 C ATOM 441 CG LEU A 28 5.241 -11.117 -0.562 1.00 0.64 C ATOM 442 CD1 LEU A 28 5.050 -9.813 -1.346 1.00 1.14 C ATOM 443 CD2 LEU A 28 4.041 -12.037 -0.785 1.00 0.95 C ATOM 0 H LEU A 28 8.343 -10.755 -2.313 1.00 0.59 H new ATOM 0 HA LEU A 28 7.416 -10.294 0.239 1.00 0.70 H new ATOM 0 HB2 LEU A 28 6.634 -11.792 -2.070 1.00 0.72 H new ATOM 0 HB3 LEU A 28 6.500 -12.869 -0.695 1.00 0.72 H new ATOM 0 HG LEU A 28 5.314 -10.879 0.499 1.00 0.64 H new ATOM 0 HD11 LEU A 28 4.124 -9.331 -1.031 1.00 1.14 H new ATOM 0 HD12 LEU A 28 5.890 -9.146 -1.153 1.00 1.14 H new ATOM 0 HD13 LEU A 28 5.000 -10.034 -2.412 1.00 1.14 H new ATOM 0 HD21 LEU A 28 3.128 -11.525 -0.480 1.00 0.95 H new ATOM 0 HD22 LEU A 28 3.975 -12.299 -1.841 1.00 0.95 H new ATOM 0 HD23 LEU A 28 4.163 -12.944 -0.193 1.00 0.95 H new ATOM 455 N GLU A 29 9.507 -12.809 0.169 1.00 0.75 N ATOM 456 CA GLU A 29 10.388 -13.617 0.996 1.00 0.87 C ATOM 457 C GLU A 29 10.749 -12.902 2.304 1.00 0.64 C ATOM 458 O GLU A 29 10.714 -13.499 3.373 1.00 0.64 O ATOM 459 CB GLU A 29 11.660 -13.942 0.214 1.00 1.17 C ATOM 460 CG GLU A 29 11.450 -14.575 -1.171 1.00 1.65 C ATOM 461 CD GLU A 29 12.775 -14.633 -1.923 1.00 3.28 C ATOM 462 OE1 GLU A 29 13.131 -13.586 -2.509 1.00 4.39 O ATOM 463 OE2 GLU A 29 13.415 -15.703 -1.869 1.00 4.30 O ATOM 0 H GLU A 29 9.763 -12.826 -0.818 1.00 0.75 H new ATOM 0 HA GLU A 29 9.863 -14.537 1.255 1.00 0.87 H new ATOM 0 HB2 GLU A 29 12.232 -13.023 0.090 1.00 1.17 H new ATOM 0 HB3 GLU A 29 12.270 -14.618 0.813 1.00 1.17 H new ATOM 0 HG2 GLU A 29 11.039 -15.579 -1.063 1.00 1.65 H new ATOM 0 HG3 GLU A 29 10.725 -13.993 -1.740 1.00 1.65 H new ATOM 470 N SER A 30 11.108 -11.615 2.208 1.00 0.61 N ATOM 471 CA SER A 30 11.527 -10.809 3.353 1.00 0.69 C ATOM 472 C SER A 30 10.374 -10.410 4.291 1.00 0.59 C ATOM 473 O SER A 30 10.617 -9.708 5.275 1.00 0.73 O ATOM 474 CB SER A 30 12.344 -9.603 2.870 1.00 0.93 C ATOM 475 OG SER A 30 11.535 -8.618 2.240 1.00 1.98 O ATOM 0 H SER A 30 11.114 -11.104 1.325 1.00 0.61 H new ATOM 0 HA SER A 30 12.167 -11.436 3.974 1.00 0.69 H new ATOM 0 HB2 SER A 30 12.862 -9.156 3.718 1.00 0.93 H new ATOM 0 HB3 SER A 30 13.109 -9.942 2.172 1.00 0.93 H new ATOM 0 HG SER A 30 11.054 -9.022 1.488 1.00 1.98 H new ATOM 481 N LEU A 31 9.135 -10.711 3.894 1.00 0.48 N ATOM 482 CA LEU A 31 7.892 -10.331 4.549 1.00 0.54 C ATOM 483 C LEU A 31 7.040 -11.558 4.935 1.00 0.60 C ATOM 484 O LEU A 31 6.125 -11.460 5.754 1.00 0.84 O ATOM 485 CB LEU A 31 7.126 -9.437 3.566 1.00 0.67 C ATOM 486 CG LEU A 31 7.884 -8.164 3.160 1.00 0.56 C ATOM 487 CD1 LEU A 31 7.203 -7.504 1.960 1.00 0.68 C ATOM 488 CD2 LEU A 31 7.921 -7.179 4.331 1.00 0.64 C ATOM 0 H LEU A 31 8.969 -11.262 3.052 1.00 0.48 H new ATOM 0 HA LEU A 31 8.111 -9.807 5.479 1.00 0.54 H new ATOM 0 HB2 LEU A 31 6.897 -10.013 2.669 1.00 0.67 H new ATOM 0 HB3 LEU A 31 6.174 -9.153 4.015 1.00 0.67 H new ATOM 0 HG LEU A 31 8.903 -8.439 2.887 1.00 0.56 H new ATOM 0 HD11 LEU A 31 7.749 -6.603 1.682 1.00 0.68 H new ATOM 0 HD12 LEU A 31 7.195 -8.198 1.119 1.00 0.68 H new ATOM 0 HD13 LEU A 31 6.178 -7.240 2.223 1.00 0.68 H new ATOM 0 HD21 LEU A 31 8.460 -6.280 4.033 1.00 0.64 H new ATOM 0 HD22 LEU A 31 6.903 -6.914 4.616 1.00 0.64 H new ATOM 0 HD23 LEU A 31 8.426 -7.641 5.179 1.00 0.64 H new ATOM 500 N LYS A 32 7.274 -12.712 4.305 1.00 0.71 N ATOM 501 CA LYS A 32 6.505 -13.915 4.543 1.00 0.75 C ATOM 502 C LYS A 32 6.908 -14.551 5.864 1.00 0.73 C ATOM 503 O LYS A 32 7.951 -15.189 5.981 1.00 1.14 O ATOM 504 CB LYS A 32 6.670 -14.881 3.384 1.00 0.86 C ATOM 505 CG LYS A 32 5.614 -15.991 3.367 1.00 1.10 C ATOM 506 CD LYS A 32 6.100 -17.213 4.133 1.00 2.85 C ATOM 507 CE LYS A 32 5.060 -18.337 4.023 1.00 2.89 C ATOM 508 NZ LYS A 32 5.377 -19.511 4.855 1.00 4.47 N ATOM 0 H LYS A 32 8.012 -12.828 3.610 1.00 0.71 H new ATOM 0 HA LYS A 32 5.449 -13.654 4.612 1.00 0.75 H new ATOM 0 HB2 LYS A 32 6.619 -14.326 2.447 1.00 0.86 H new ATOM 0 HB3 LYS A 32 7.661 -15.332 3.434 1.00 0.86 H new ATOM 0 HG2 LYS A 32 4.688 -15.624 3.809 1.00 1.10 H new ATOM 0 HG3 LYS A 32 5.388 -16.268 2.337 1.00 1.10 H new ATOM 0 HD2 LYS A 32 7.057 -17.549 3.733 1.00 2.85 H new ATOM 0 HD3 LYS A 32 6.264 -16.957 5.180 1.00 2.85 H new ATOM 0 HE2 LYS A 32 4.084 -17.948 4.313 1.00 2.89 H new ATOM 0 HE3 LYS A 32 4.982 -18.649 2.982 1.00 2.89 H new ATOM 0 HZ1 LYS A 32 4.637 -20.232 4.735 1.00 4.47 H new ATOM 0 HZ2 LYS A 32 6.294 -19.905 4.564 1.00 4.47 H new ATOM 0 HZ3 LYS A 32 5.424 -19.226 5.854 1.00 4.47 H new ATOM 522 N GLY A 33 6.000 -14.435 6.821 1.00 0.52 N ATOM 523 CA GLY A 33 6.239 -14.738 8.222 1.00 0.54 C ATOM 524 C GLY A 33 5.746 -13.562 9.056 1.00 0.48 C ATOM 525 O GLY A 33 5.278 -13.749 10.179 1.00 0.59 O ATOM 0 H GLY A 33 5.048 -14.118 6.638 1.00 0.52 H new ATOM 0 HA2 GLY A 33 5.717 -15.651 8.507 1.00 0.54 H new ATOM 0 HA3 GLY A 33 7.301 -14.910 8.398 1.00 0.54 H new ATOM 529 N GLU A 34 5.758 -12.364 8.459 1.00 0.40 N ATOM 530 CA GLU A 34 5.480 -11.123 9.158 1.00 0.47 C ATOM 531 C GLU A 34 4.061 -10.623 8.850 1.00 0.35 C ATOM 532 O GLU A 34 3.512 -10.907 7.790 1.00 0.40 O ATOM 533 CB GLU A 34 6.553 -10.097 8.763 1.00 0.72 C ATOM 534 CG GLU A 34 7.977 -10.532 9.168 1.00 1.38 C ATOM 535 CD GLU A 34 8.531 -11.720 8.388 1.00 3.47 C ATOM 536 OE1 GLU A 34 8.759 -11.545 7.173 1.00 4.94 O ATOM 537 OE2 GLU A 34 8.654 -12.805 8.995 1.00 4.18 O ATOM 0 H GLU A 34 5.964 -12.238 7.468 1.00 0.40 H new ATOM 0 HA GLU A 34 5.519 -11.282 10.236 1.00 0.47 H new ATOM 0 HB2 GLU A 34 6.519 -9.940 7.685 1.00 0.72 H new ATOM 0 HB3 GLU A 34 6.324 -9.140 9.232 1.00 0.72 H new ATOM 0 HG2 GLU A 34 8.651 -9.685 9.039 1.00 1.38 H new ATOM 0 HG3 GLU A 34 7.977 -10.781 10.229 1.00 1.38 H new ATOM 544 N VAL A 35 3.454 -9.860 9.765 1.00 0.30 N ATOM 545 CA VAL A 35 2.188 -9.163 9.523 1.00 0.32 C ATOM 546 C VAL A 35 2.513 -7.762 9.041 1.00 0.32 C ATOM 547 O VAL A 35 2.416 -6.774 9.767 1.00 0.38 O ATOM 548 CB VAL A 35 1.274 -9.233 10.752 1.00 0.38 C ATOM 549 CG1 VAL A 35 1.849 -8.679 12.063 1.00 0.41 C ATOM 550 CG2 VAL A 35 -0.091 -8.598 10.463 1.00 0.46 C ATOM 0 H VAL A 35 3.831 -9.708 10.701 1.00 0.30 H new ATOM 0 HA VAL A 35 1.606 -9.649 8.740 1.00 0.32 H new ATOM 0 HB VAL A 35 1.169 -10.303 10.929 1.00 0.38 H new ATOM 0 HG11 VAL A 35 1.110 -8.784 12.858 1.00 0.41 H new ATOM 0 HG12 VAL A 35 2.749 -9.234 12.329 1.00 0.41 H new ATOM 0 HG13 VAL A 35 2.097 -7.625 11.935 1.00 0.41 H new ATOM 0 HG21 VAL A 35 -0.718 -8.662 11.352 1.00 0.46 H new ATOM 0 HG22 VAL A 35 0.045 -7.552 10.190 1.00 0.46 H new ATOM 0 HG23 VAL A 35 -0.572 -9.128 9.641 1.00 0.46 H new ATOM 560 N TRP A 36 2.956 -7.705 7.794 1.00 0.38 N ATOM 561 CA TRP A 36 3.413 -6.483 7.187 1.00 0.37 C ATOM 562 C TRP A 36 2.226 -5.738 6.588 1.00 0.40 C ATOM 563 O TRP A 36 1.215 -6.332 6.209 1.00 0.39 O ATOM 564 CB TRP A 36 4.498 -6.817 6.167 1.00 0.37 C ATOM 565 CG TRP A 36 4.059 -7.666 5.021 1.00 0.36 C ATOM 566 CD1 TRP A 36 3.903 -9.008 4.998 1.00 0.38 C ATOM 567 CD2 TRP A 36 3.727 -7.207 3.692 1.00 0.35 C ATOM 568 NE1 TRP A 36 3.551 -9.409 3.726 1.00 0.40 N ATOM 569 CE2 TRP A 36 3.438 -8.330 2.866 1.00 0.38 C ATOM 570 CE3 TRP A 36 3.660 -5.930 3.114 1.00 0.34 C ATOM 571 CZ2 TRP A 36 3.118 -8.179 1.506 1.00 0.41 C ATOM 572 CZ3 TRP A 36 3.274 -5.766 1.776 1.00 0.37 C ATOM 573 CH2 TRP A 36 3.046 -6.883 0.966 1.00 0.41 C ATOM 0 H TRP A 36 3.005 -8.516 7.178 1.00 0.38 H new ATOM 0 HA TRP A 36 3.858 -5.815 7.925 1.00 0.37 H new ATOM 0 HB2 TRP A 36 4.902 -5.884 5.773 1.00 0.37 H new ATOM 0 HB3 TRP A 36 5.313 -7.325 6.682 1.00 0.37 H new ATOM 0 HD1 TRP A 36 4.034 -9.665 5.845 1.00 0.38 H new ATOM 0 HE1 TRP A 36 3.394 -10.379 3.453 1.00 0.40 H new ATOM 0 HE3 TRP A 36 3.909 -5.063 3.707 1.00 0.34 H new ATOM 0 HZ2 TRP A 36 2.931 -9.044 0.886 1.00 0.41 H new ATOM 0 HZ3 TRP A 36 3.152 -4.773 1.369 1.00 0.37 H new ATOM 0 HH2 TRP A 36 2.813 -6.749 -0.080 1.00 0.41 H new ATOM 584 N LEU A 37 2.323 -4.414 6.554 1.00 0.53 N ATOM 585 CA LEU A 37 1.238 -3.569 6.105 1.00 0.53 C ATOM 586 C LEU A 37 1.519 -3.152 4.665 1.00 0.50 C ATOM 587 O LEU A 37 2.681 -3.003 4.294 1.00 0.46 O ATOM 588 CB LEU A 37 1.174 -2.336 6.996 1.00 0.56 C ATOM 589 CG LEU A 37 1.009 -2.549 8.509 1.00 0.58 C ATOM 590 CD1 LEU A 37 0.341 -1.303 9.096 1.00 0.80 C ATOM 591 CD2 LEU A 37 0.143 -3.761 8.873 1.00 0.78 C ATOM 0 H LEU A 37 3.158 -3.902 6.838 1.00 0.53 H new ATOM 0 HA LEU A 37 0.288 -4.101 6.157 1.00 0.53 H new ATOM 0 HB2 LEU A 37 2.086 -1.761 6.837 1.00 0.56 H new ATOM 0 HB3 LEU A 37 0.344 -1.718 6.653 1.00 0.56 H new ATOM 0 HG LEU A 37 2.005 -2.730 8.914 1.00 0.58 H new ATOM 0 HD11 LEU A 37 0.213 -1.431 10.171 1.00 0.80 H new ATOM 0 HD12 LEU A 37 0.967 -0.431 8.906 1.00 0.80 H new ATOM 0 HD13 LEU A 37 -0.633 -1.159 8.629 1.00 0.80 H new ATOM 0 HD21 LEU A 37 0.073 -3.846 9.957 1.00 0.78 H new ATOM 0 HD22 LEU A 37 -0.855 -3.634 8.454 1.00 0.78 H new ATOM 0 HD23 LEU A 37 0.595 -4.666 8.467 1.00 0.78 H new ATOM 603 N ALA A 38 0.472 -2.955 3.866 1.00 0.57 N ATOM 604 CA ALA A 38 0.566 -2.449 2.512 1.00 0.55 C ATOM 605 C ALA A 38 -0.360 -1.249 2.349 1.00 0.58 C ATOM 606 O ALA A 38 -1.550 -1.341 2.650 1.00 0.92 O ATOM 607 CB ALA A 38 0.197 -3.547 1.518 1.00 0.64 C ATOM 0 H ALA A 38 -0.486 -3.150 4.157 1.00 0.57 H new ATOM 0 HA ALA A 38 1.590 -2.133 2.314 1.00 0.55 H new ATOM 0 HB1 ALA A 38 0.270 -3.158 0.502 1.00 0.64 H new ATOM 0 HB2 ALA A 38 0.880 -4.388 1.635 1.00 0.64 H new ATOM 0 HB3 ALA A 38 -0.824 -3.880 1.706 1.00 0.64 H new ATOM 613 N ASP A 39 0.202 -0.152 1.840 1.00 0.48 N ATOM 614 CA ASP A 39 -0.485 1.120 1.653 1.00 0.57 C ATOM 615 C ASP A 39 -0.043 1.721 0.323 1.00 0.75 C ATOM 616 O ASP A 39 0.972 2.414 0.263 1.00 1.84 O ATOM 617 CB ASP A 39 -0.157 2.064 2.815 1.00 0.87 C ATOM 618 CG ASP A 39 -0.875 1.661 4.094 1.00 1.97 C ATOM 619 OD1 ASP A 39 -0.429 0.682 4.736 1.00 2.90 O ATOM 620 OD2 ASP A 39 -1.859 2.360 4.409 1.00 3.21 O ATOM 0 H ASP A 39 1.176 -0.127 1.539 1.00 0.48 H new ATOM 0 HA ASP A 39 -1.564 0.968 1.637 1.00 0.57 H new ATOM 0 HB2 ASP A 39 0.919 2.066 2.988 1.00 0.87 H new ATOM 0 HB3 ASP A 39 -0.439 3.082 2.546 1.00 0.87 H new ATOM 625 N PHE A 40 -0.774 1.429 -0.754 1.00 0.73 N ATOM 626 CA PHE A 40 -0.454 1.899 -2.096 1.00 0.72 C ATOM 627 C PHE A 40 -1.195 3.207 -2.363 1.00 0.78 C ATOM 628 O PHE A 40 -2.369 3.330 -2.015 1.00 1.01 O ATOM 629 CB PHE A 40 -0.789 0.828 -3.143 1.00 0.96 C ATOM 630 CG PHE A 40 -2.266 0.513 -3.323 1.00 0.95 C ATOM 631 CD1 PHE A 40 -2.947 -0.270 -2.373 1.00 1.90 C ATOM 632 CD2 PHE A 40 -2.971 1.033 -4.426 1.00 2.11 C ATOM 633 CE1 PHE A 40 -4.326 -0.499 -2.505 1.00 1.91 C ATOM 634 CE2 PHE A 40 -4.347 0.783 -4.568 1.00 2.38 C ATOM 635 CZ PHE A 40 -5.032 0.037 -3.594 1.00 1.48 C ATOM 0 H PHE A 40 -1.614 0.852 -0.715 1.00 0.73 H new ATOM 0 HA PHE A 40 0.617 2.089 -2.170 1.00 0.72 H new ATOM 0 HB2 PHE A 40 -0.386 1.148 -4.104 1.00 0.96 H new ATOM 0 HB3 PHE A 40 -0.272 -0.092 -2.871 1.00 0.96 H new ATOM 0 HD1 PHE A 40 -2.408 -0.696 -1.540 1.00 1.90 H new ATOM 0 HD2 PHE A 40 -2.453 1.626 -5.165 1.00 2.11 H new ATOM 0 HE1 PHE A 40 -4.846 -1.090 -1.766 1.00 1.91 H new ATOM 0 HE2 PHE A 40 -4.879 1.165 -5.427 1.00 2.38 H new ATOM 0 HZ PHE A 40 -6.096 -0.123 -3.683 1.00 1.48 H new ATOM 645 N ILE A 41 -0.512 4.185 -2.963 1.00 0.73 N ATOM 646 CA ILE A 41 -1.031 5.520 -3.229 1.00 0.86 C ATOM 647 C ILE A 41 -0.217 6.144 -4.364 1.00 0.64 C ATOM 648 O ILE A 41 0.882 5.678 -4.664 1.00 0.57 O ATOM 649 CB ILE A 41 -0.951 6.410 -1.979 1.00 1.11 C ATOM 650 CG1 ILE A 41 0.451 6.337 -1.355 1.00 1.29 C ATOM 651 CG2 ILE A 41 -2.037 6.091 -0.940 1.00 1.44 C ATOM 652 CD1 ILE A 41 0.677 7.546 -0.461 1.00 2.05 C ATOM 0 H ILE A 41 0.448 4.061 -3.286 1.00 0.73 H new ATOM 0 HA ILE A 41 -2.080 5.441 -3.513 1.00 0.86 H new ATOM 0 HB ILE A 41 -1.139 7.432 -2.308 1.00 1.11 H new ATOM 0 HG12 ILE A 41 0.554 5.420 -0.776 1.00 1.29 H new ATOM 0 HG13 ILE A 41 1.208 6.306 -2.139 1.00 1.29 H new ATOM 0 HG21 ILE A 41 -1.926 6.754 -0.082 1.00 1.44 H new ATOM 0 HG22 ILE A 41 -3.021 6.237 -1.386 1.00 1.44 H new ATOM 0 HG23 ILE A 41 -1.936 5.056 -0.614 1.00 1.44 H new ATOM 0 HD11 ILE A 41 1.672 7.491 -0.020 1.00 2.05 H new ATOM 0 HD12 ILE A 41 0.592 8.457 -1.053 1.00 2.05 H new ATOM 0 HD13 ILE A 41 -0.071 7.557 0.332 1.00 2.05 H new ATOM 664 N PHE A 42 -0.748 7.212 -4.966 1.00 0.66 N ATOM 665 CA PHE A 42 -0.094 8.019 -5.987 1.00 0.63 C ATOM 666 C PHE A 42 0.274 9.366 -5.359 1.00 0.68 C ATOM 667 O PHE A 42 -0.562 10.257 -5.211 1.00 1.28 O ATOM 668 CB PHE A 42 -1.018 8.186 -7.211 1.00 0.67 C ATOM 669 CG PHE A 42 -2.501 8.361 -6.904 1.00 0.73 C ATOM 670 CD1 PHE A 42 -3.289 7.245 -6.562 1.00 1.81 C ATOM 671 CD2 PHE A 42 -3.091 9.640 -6.929 1.00 1.73 C ATOM 672 CE1 PHE A 42 -4.640 7.411 -6.214 1.00 1.77 C ATOM 673 CE2 PHE A 42 -4.454 9.800 -6.622 1.00 1.87 C ATOM 674 CZ PHE A 42 -5.229 8.685 -6.260 1.00 0.96 C ATOM 0 H PHE A 42 -1.685 7.548 -4.742 1.00 0.66 H new ATOM 0 HA PHE A 42 0.813 7.532 -6.344 1.00 0.63 H new ATOM 0 HB2 PHE A 42 -0.680 9.051 -7.782 1.00 0.67 H new ATOM 0 HB3 PHE A 42 -0.900 7.313 -7.853 1.00 0.67 H new ATOM 0 HD1 PHE A 42 -2.853 6.257 -6.567 1.00 1.81 H new ATOM 0 HD2 PHE A 42 -2.493 10.502 -7.185 1.00 1.73 H new ATOM 0 HE1 PHE A 42 -5.227 6.557 -5.910 1.00 1.77 H new ATOM 0 HE2 PHE A 42 -4.905 10.780 -6.664 1.00 1.87 H new ATOM 0 HZ PHE A 42 -6.274 8.808 -6.018 1.00 0.96 H new ATOM 684 N THR A 43 1.533 9.517 -4.956 1.00 1.34 N ATOM 685 CA THR A 43 2.019 10.659 -4.203 1.00 1.70 C ATOM 686 C THR A 43 2.274 11.848 -5.136 1.00 1.90 C ATOM 687 O THR A 43 3.421 12.282 -5.258 1.00 3.15 O ATOM 688 CB THR A 43 3.331 10.216 -3.550 1.00 2.05 C ATOM 689 OG1 THR A 43 4.175 9.748 -4.576 1.00 2.75 O ATOM 690 CG2 THR A 43 3.146 9.113 -2.508 1.00 3.06 C ATOM 0 H THR A 43 2.259 8.828 -5.152 1.00 1.34 H new ATOM 0 HA THR A 43 1.289 10.978 -3.459 1.00 1.70 H new ATOM 0 HB THR A 43 3.754 11.070 -3.021 1.00 2.05 H new ATOM 0 HG1 THR A 43 4.285 10.447 -5.254 1.00 2.75 H new ATOM 0 HG21 THR A 43 4.114 8.846 -2.085 1.00 3.06 H new ATOM 0 HG22 THR A 43 2.489 9.469 -1.715 1.00 3.06 H new ATOM 0 HG23 THR A 43 2.703 8.237 -2.981 1.00 3.06 H new ATOM 771 N CYS A 49 -3.554 18.079 0.176 1.00 1.45 N ATOM 772 CA CYS A 49 -4.827 18.419 0.796 1.00 1.27 C ATOM 773 C CYS A 49 -5.510 17.152 1.314 1.00 1.26 C ATOM 774 O CYS A 49 -5.755 17.061 2.517 1.00 1.31 O ATOM 775 CB CYS A 49 -5.725 19.207 -0.169 1.00 1.60 C ATOM 776 SG CYS A 49 -7.407 19.244 0.495 1.00 1.81 S ATOM 0 HA CYS A 49 -4.640 19.072 1.648 1.00 1.27 H new ATOM 0 HB2 CYS A 49 -5.346 20.222 -0.293 1.00 1.60 H new ATOM 0 HB3 CYS A 49 -5.719 18.742 -1.155 1.00 1.60 H new ATOM 0 HG CYS A 49 -8.178 19.911 -0.312 1.00 1.81 H new ATOM 782 N PRO A 50 -5.804 16.145 0.468 1.00 1.53 N ATOM 783 CA PRO A 50 -6.381 14.909 0.965 1.00 1.80 C ATOM 784 C PRO A 50 -5.415 14.221 1.938 1.00 1.47 C ATOM 785 O PRO A 50 -4.196 14.281 1.754 1.00 1.23 O ATOM 786 CB PRO A 50 -6.665 14.047 -0.267 1.00 2.30 C ATOM 787 CG PRO A 50 -5.690 14.586 -1.313 1.00 2.24 C ATOM 788 CD PRO A 50 -5.643 16.076 -0.979 1.00 1.84 C ATOM 0 HA PRO A 50 -7.300 15.084 1.525 1.00 1.80 H new ATOM 0 HB2 PRO A 50 -6.493 12.990 -0.065 1.00 2.30 H new ATOM 0 HB3 PRO A 50 -7.700 14.145 -0.595 1.00 2.30 H new ATOM 0 HG2 PRO A 50 -4.708 14.120 -1.232 1.00 2.24 H new ATOM 0 HG3 PRO A 50 -6.044 14.408 -2.328 1.00 2.24 H new ATOM 0 HD2 PRO A 50 -4.699 16.521 -1.292 1.00 1.84 H new ATOM 0 HD3 PRO A 50 -6.437 16.620 -1.491 1.00 1.84 H new ATOM 796 N PRO A 51 -5.935 13.555 2.978 1.00 1.57 N ATOM 797 CA PRO A 51 -5.122 12.901 3.986 1.00 1.40 C ATOM 798 C PRO A 51 -4.587 11.571 3.457 1.00 1.30 C ATOM 799 O PRO A 51 -4.954 10.505 3.949 1.00 1.41 O ATOM 800 CB PRO A 51 -6.052 12.746 5.185 1.00 1.65 C ATOM 801 CG PRO A 51 -7.415 12.535 4.527 1.00 1.96 C ATOM 802 CD PRO A 51 -7.346 13.464 3.318 1.00 1.96 C ATOM 0 HA PRO A 51 -4.232 13.467 4.263 1.00 1.40 H new ATOM 0 HB2 PRO A 51 -5.769 11.899 5.810 1.00 1.65 H new ATOM 0 HB3 PRO A 51 -6.042 13.630 5.822 1.00 1.65 H new ATOM 0 HG2 PRO A 51 -7.567 11.497 4.233 1.00 1.96 H new ATOM 0 HG3 PRO A 51 -8.234 12.800 5.196 1.00 1.96 H new ATOM 0 HD2 PRO A 51 -7.926 13.067 2.485 1.00 1.96 H new ATOM 0 HD3 PRO A 51 -7.757 14.446 3.553 1.00 1.96 H new ATOM 810 N MET A 52 -3.708 11.655 2.455 1.00 1.23 N ATOM 811 CA MET A 52 -3.051 10.495 1.873 1.00 1.11 C ATOM 812 C MET A 52 -2.151 9.846 2.920 1.00 0.87 C ATOM 813 O MET A 52 -2.579 8.955 3.655 1.00 0.90 O ATOM 814 CB MET A 52 -2.270 10.877 0.605 1.00 1.17 C ATOM 815 CG MET A 52 -3.177 11.019 -0.622 1.00 1.41 C ATOM 816 SD MET A 52 -2.261 11.290 -2.162 1.00 1.98 S ATOM 817 CE MET A 52 -3.609 11.231 -3.362 1.00 2.14 C ATOM 0 H MET A 52 -3.434 12.539 2.026 1.00 1.23 H new ATOM 0 HA MET A 52 -3.806 9.770 1.567 1.00 1.11 H new ATOM 0 HB2 MET A 52 -1.744 11.817 0.775 1.00 1.17 H new ATOM 0 HB3 MET A 52 -1.512 10.119 0.407 1.00 1.17 H new ATOM 0 HG2 MET A 52 -3.785 10.120 -0.722 1.00 1.41 H new ATOM 0 HG3 MET A 52 -3.863 11.851 -0.464 1.00 1.41 H new ATOM 0 HE1 MET A 52 -3.210 11.382 -4.365 1.00 2.14 H new ATOM 0 HE2 MET A 52 -4.101 10.260 -3.309 1.00 2.14 H new ATOM 0 HE3 MET A 52 -4.331 12.016 -3.137 1.00 2.14 H new ATOM 827 N THR A 53 -0.906 10.303 3.035 1.00 0.85 N ATOM 828 CA THR A 53 0.087 9.617 3.839 1.00 0.73 C ATOM 829 C THR A 53 0.030 10.188 5.260 1.00 0.76 C ATOM 830 O THR A 53 1.052 10.509 5.857 1.00 1.19 O ATOM 831 CB THR A 53 1.426 9.763 3.102 1.00 0.84 C ATOM 832 OG1 THR A 53 1.191 9.494 1.736 1.00 1.19 O ATOM 833 CG2 THR A 53 2.495 8.788 3.563 1.00 1.01 C ATOM 0 H THR A 53 -0.566 11.149 2.578 1.00 0.85 H new ATOM 0 HA THR A 53 -0.084 8.547 3.961 1.00 0.73 H new ATOM 0 HB THR A 53 1.790 10.771 3.302 1.00 0.84 H new ATOM 0 HG1 THR A 53 2.047 9.423 1.264 1.00 1.19 H new ATOM 0 HG21 THR A 53 3.410 8.955 2.994 1.00 1.01 H new ATOM 0 HG22 THR A 53 2.694 8.941 4.624 1.00 1.01 H new ATOM 0 HG23 THR A 53 2.150 7.767 3.402 1.00 1.01 H new ATOM 841 N ALA A 54 -1.195 10.357 5.774 1.00 0.91 N ATOM 842 CA ALA A 54 -1.523 11.049 7.014 1.00 1.04 C ATOM 843 C ALA A 54 -1.988 10.031 8.050 1.00 1.05 C ATOM 844 O ALA A 54 -1.329 9.810 9.062 1.00 1.09 O ATOM 845 CB ALA A 54 -2.608 12.094 6.742 1.00 1.37 C ATOM 0 H ALA A 54 -2.025 9.992 5.306 1.00 0.91 H new ATOM 0 HA ALA A 54 -0.643 11.562 7.403 1.00 1.04 H new ATOM 0 HB1 ALA A 54 -2.854 12.612 7.669 1.00 1.37 H new ATOM 0 HB2 ALA A 54 -2.244 12.814 6.009 1.00 1.37 H new ATOM 0 HB3 ALA A 54 -3.499 11.601 6.354 1.00 1.37 H new ATOM 851 N HIS A 55 -3.105 9.355 7.771 1.00 1.12 N ATOM 852 CA HIS A 55 -3.548 8.246 8.604 1.00 1.17 C ATOM 853 C HIS A 55 -2.433 7.208 8.646 1.00 1.17 C ATOM 854 O HIS A 55 -2.018 6.770 9.720 1.00 1.17 O ATOM 855 CB HIS A 55 -4.859 7.684 8.054 1.00 1.25 C ATOM 856 CG HIS A 55 -5.941 8.731 8.010 1.00 1.28 C ATOM 857 ND1 HIS A 55 -6.575 9.204 6.883 1.00 1.42 N ATOM 858 CD2 HIS A 55 -6.363 9.485 9.074 1.00 1.25 C ATOM 859 CE1 HIS A 55 -7.389 10.198 7.277 1.00 1.45 C ATOM 860 NE2 HIS A 55 -7.284 10.417 8.596 1.00 1.34 N ATOM 0 H HIS A 55 -3.713 9.558 6.978 1.00 1.12 H new ATOM 0 HA HIS A 55 -3.749 8.570 9.625 1.00 1.17 H new ATOM 0 HB2 HIS A 55 -4.693 7.290 7.051 1.00 1.25 H new ATOM 0 HB3 HIS A 55 -5.186 6.849 8.675 1.00 1.25 H new ATOM 0 HD2 HIS A 55 -6.040 9.377 10.099 1.00 1.25 H new ATOM 0 HE1 HIS A 55 -8.043 10.749 6.617 1.00 1.45 H new ATOM 0 HE2 HIS A 55 -7.779 11.124 9.141 1.00 1.34 H new ATOM 868 N MET A 56 -1.893 6.897 7.462 1.00 1.20 N ATOM 869 CA MET A 56 -0.651 6.170 7.332 1.00 1.19 C ATOM 870 C MET A 56 0.396 6.586 8.366 1.00 1.19 C ATOM 871 O MET A 56 0.876 5.738 9.107 1.00 1.37 O ATOM 872 CB MET A 56 -0.101 6.242 5.897 1.00 1.13 C ATOM 873 CG MET A 56 0.212 4.850 5.317 1.00 0.76 C ATOM 874 SD MET A 56 0.823 3.547 6.429 1.00 3.81 S ATOM 875 CE MET A 56 2.413 4.189 6.979 1.00 5.51 C ATOM 0 H MET A 56 -2.317 7.150 6.570 1.00 1.20 H new ATOM 0 HA MET A 56 -0.883 5.126 7.544 1.00 1.19 H new ATOM 0 HB2 MET A 56 -0.827 6.744 5.257 1.00 1.13 H new ATOM 0 HB3 MET A 56 0.805 6.848 5.888 1.00 1.13 H new ATOM 0 HG2 MET A 56 -0.697 4.479 4.844 1.00 0.76 H new ATOM 0 HG3 MET A 56 0.951 4.982 4.527 1.00 0.76 H new ATOM 0 HE1 MET A 56 2.627 3.820 7.982 1.00 5.51 H new ATOM 0 HE2 MET A 56 3.195 3.857 6.296 1.00 5.51 H new ATOM 0 HE3 MET A 56 2.381 5.278 6.992 1.00 5.51 H new ATOM 885 N THR A 57 0.774 7.866 8.429 1.00 1.04 N ATOM 886 CA THR A 57 1.866 8.291 9.296 1.00 1.00 C ATOM 887 C THR A 57 1.487 8.171 10.764 1.00 1.02 C ATOM 888 O THR A 57 2.299 7.709 11.570 1.00 1.05 O ATOM 889 CB THR A 57 2.372 9.696 8.950 1.00 0.93 C ATOM 890 OG1 THR A 57 1.325 10.564 8.599 1.00 2.01 O ATOM 891 CG2 THR A 57 3.337 9.600 7.776 1.00 1.96 C ATOM 0 H THR A 57 0.341 8.618 7.893 1.00 1.04 H new ATOM 0 HA THR A 57 2.698 7.611 9.116 1.00 1.00 H new ATOM 0 HB THR A 57 2.864 10.099 9.835 1.00 0.93 H new ATOM 0 HG1 THR A 57 1.293 10.661 7.624 1.00 2.01 H new ATOM 0 HG21 THR A 57 3.702 10.595 7.523 1.00 1.96 H new ATOM 0 HG22 THR A 57 4.179 8.963 8.048 1.00 1.96 H new ATOM 0 HG23 THR A 57 2.822 9.173 6.916 1.00 1.96 H new ATOM 899 N ASP A 58 0.258 8.555 11.123 1.00 1.03 N ATOM 900 CA ASP A 58 -0.136 8.426 12.514 1.00 1.06 C ATOM 901 C ASP A 58 -0.142 6.963 12.955 1.00 1.22 C ATOM 902 O ASP A 58 0.130 6.661 14.113 1.00 1.44 O ATOM 903 CB ASP A 58 -1.434 9.151 12.857 1.00 1.22 C ATOM 904 CG ASP A 58 -1.339 9.638 14.297 1.00 1.72 C ATOM 905 OD1 ASP A 58 -0.551 10.579 14.551 1.00 3.05 O ATOM 906 OD2 ASP A 58 -1.899 8.993 15.211 1.00 2.19 O ATOM 0 H ASP A 58 -0.448 8.940 10.496 1.00 1.03 H new ATOM 0 HA ASP A 58 0.628 8.941 13.097 1.00 1.06 H new ATOM 0 HB2 ASP A 58 -1.590 9.991 12.181 1.00 1.22 H new ATOM 0 HB3 ASP A 58 -2.286 8.482 12.737 1.00 1.22 H new ATOM 911 N LEU A 59 -0.395 6.034 12.029 1.00 1.13 N ATOM 912 CA LEU A 59 -0.102 4.630 12.288 1.00 1.11 C ATOM 913 C LEU A 59 1.408 4.342 12.296 1.00 1.11 C ATOM 914 O LEU A 59 1.864 3.699 13.237 1.00 1.25 O ATOM 915 CB LEU A 59 -0.903 3.700 11.368 1.00 1.08 C ATOM 916 CG LEU A 59 -2.173 3.174 12.056 1.00 1.18 C ATOM 917 CD1 LEU A 59 -3.213 4.288 12.077 1.00 1.54 C ATOM 918 CD2 LEU A 59 -2.752 1.944 11.350 1.00 1.40 C ATOM 0 H LEU A 59 -0.795 6.227 11.111 1.00 1.13 H new ATOM 0 HA LEU A 59 -0.441 4.408 13.300 1.00 1.11 H new ATOM 0 HB2 LEU A 59 -1.177 4.235 10.459 1.00 1.08 H new ATOM 0 HB3 LEU A 59 -0.278 2.859 11.067 1.00 1.08 H new ATOM 0 HG LEU A 59 -1.908 2.868 13.068 1.00 1.18 H new ATOM 0 HD11 LEU A 59 -4.121 3.929 12.563 1.00 1.54 H new ATOM 0 HD12 LEU A 59 -2.820 5.142 12.628 1.00 1.54 H new ATOM 0 HD13 LEU A 59 -3.443 4.590 11.055 1.00 1.54 H new ATOM 0 HD21 LEU A 59 -3.648 1.611 11.875 1.00 1.40 H new ATOM 0 HD22 LEU A 59 -3.008 2.201 10.322 1.00 1.40 H new ATOM 0 HD23 LEU A 59 -2.013 1.143 11.350 1.00 1.40 H new ATOM 930 N GLN A 60 2.190 4.802 11.307 1.00 1.10 N ATOM 931 CA GLN A 60 3.638 4.625 11.174 1.00 1.16 C ATOM 932 C GLN A 60 4.319 4.811 12.527 1.00 1.12 C ATOM 933 O GLN A 60 5.141 3.992 12.939 1.00 1.14 O ATOM 934 CB GLN A 60 4.212 5.571 10.113 1.00 1.35 C ATOM 935 CG GLN A 60 5.598 5.143 9.617 1.00 1.52 C ATOM 936 CD GLN A 60 6.743 5.696 10.453 1.00 1.67 C ATOM 937 OE1 GLN A 60 7.064 6.876 10.347 1.00 3.10 O ATOM 938 NE2 GLN A 60 7.370 4.850 11.268 1.00 2.05 N ATOM 0 H GLN A 60 1.801 5.340 10.533 1.00 1.10 H new ATOM 0 HA GLN A 60 3.837 3.608 10.836 1.00 1.16 H new ATOM 0 HB2 GLN A 60 3.527 5.617 9.266 1.00 1.35 H new ATOM 0 HB3 GLN A 60 4.275 6.577 10.527 1.00 1.35 H new ATOM 0 HG2 GLN A 60 5.654 4.054 9.615 1.00 1.52 H new ATOM 0 HG3 GLN A 60 5.722 5.470 8.585 1.00 1.52 H new ATOM 0 HE21 GLN A 60 7.068 3.877 11.324 1.00 2.05 H new ATOM 0 HE22 GLN A 60 8.152 5.175 11.837 1.00 2.05 H new ATOM 947 N LYS A 61 3.914 5.879 13.218 1.00 1.16 N ATOM 948 CA LYS A 61 4.262 6.168 14.598 1.00 1.27 C ATOM 949 C LYS A 61 4.252 4.903 15.471 1.00 1.11 C ATOM 950 O LYS A 61 5.287 4.509 16.003 1.00 1.28 O ATOM 951 CB LYS A 61 3.282 7.233 15.103 1.00 1.40 C ATOM 952 CG LYS A 61 3.435 7.653 16.572 1.00 1.56 C ATOM 953 CD LYS A 61 2.504 8.845 16.887 1.00 1.76 C ATOM 954 CE LYS A 61 1.021 8.425 16.957 1.00 3.01 C ATOM 955 NZ LYS A 61 0.076 9.554 16.820 1.00 3.60 N ATOM 0 H LYS A 61 3.310 6.591 12.808 1.00 1.16 H new ATOM 0 HA LYS A 61 5.283 6.545 14.659 1.00 1.27 H new ATOM 0 HB2 LYS A 61 3.390 8.121 14.480 1.00 1.40 H new ATOM 0 HB3 LYS A 61 2.268 6.862 14.957 1.00 1.40 H new ATOM 0 HG2 LYS A 61 3.196 6.813 17.224 1.00 1.56 H new ATOM 0 HG3 LYS A 61 4.470 7.928 16.773 1.00 1.56 H new ATOM 0 HD2 LYS A 61 2.798 9.292 17.836 1.00 1.76 H new ATOM 0 HD3 LYS A 61 2.627 9.612 16.122 1.00 1.76 H new ATOM 0 HE2 LYS A 61 0.821 7.698 16.170 1.00 3.01 H new ATOM 0 HE3 LYS A 61 0.839 7.924 17.908 1.00 3.01 H new ATOM 0 HZ1 LYS A 61 -0.885 9.186 16.672 1.00 3.60 H new ATOM 0 HZ2 LYS A 61 0.097 10.131 17.685 1.00 3.60 H new ATOM 0 HZ3 LYS A 61 0.351 10.140 16.006 1.00 3.60 H new ATOM 969 N LYS A 62 3.089 4.261 15.629 1.00 0.89 N ATOM 970 CA LYS A 62 2.959 3.036 16.393 1.00 0.87 C ATOM 971 C LYS A 62 3.611 1.862 15.661 1.00 0.82 C ATOM 972 O LYS A 62 4.117 0.943 16.292 1.00 0.85 O ATOM 973 CB LYS A 62 1.469 2.799 16.633 1.00 1.03 C ATOM 974 CG LYS A 62 1.197 1.430 17.259 1.00 1.42 C ATOM 975 CD LYS A 62 -0.289 1.349 17.598 1.00 2.10 C ATOM 976 CE LYS A 62 -0.758 -0.114 17.689 1.00 2.98 C ATOM 977 NZ LYS A 62 0.058 -0.936 18.611 1.00 4.28 N ATOM 0 H LYS A 62 2.212 4.587 15.224 1.00 0.89 H new ATOM 0 HA LYS A 62 3.476 3.123 17.348 1.00 0.87 H new ATOM 0 HB2 LYS A 62 1.079 3.580 17.286 1.00 1.03 H new ATOM 0 HB3 LYS A 62 0.933 2.877 15.687 1.00 1.03 H new ATOM 0 HG2 LYS A 62 1.473 0.634 16.568 1.00 1.42 H new ATOM 0 HG3 LYS A 62 1.800 1.296 18.157 1.00 1.42 H new ATOM 0 HD2 LYS A 62 -0.477 1.854 18.546 1.00 2.10 H new ATOM 0 HD3 LYS A 62 -0.868 1.873 16.837 1.00 2.10 H new ATOM 0 HE2 LYS A 62 -1.797 -0.135 18.018 1.00 2.98 H new ATOM 0 HE3 LYS A 62 -0.729 -0.560 16.695 1.00 2.98 H new ATOM 0 HZ1 LYS A 62 0.009 -1.934 18.322 1.00 4.28 H new ATOM 0 HZ2 LYS A 62 1.047 -0.615 18.580 1.00 4.28 H new ATOM 0 HZ3 LYS A 62 -0.307 -0.838 19.580 1.00 4.28 H new ATOM 991 N LEU A 63 3.606 1.858 14.334 1.00 0.87 N ATOM 992 CA LEU A 63 4.258 0.825 13.540 1.00 0.94 C ATOM 993 C LEU A 63 5.751 0.749 13.823 1.00 1.25 C ATOM 994 O LEU A 63 6.323 -0.326 13.705 1.00 1.38 O ATOM 995 CB LEU A 63 3.969 1.025 12.061 1.00 1.42 C ATOM 996 CG LEU A 63 2.832 0.145 11.535 1.00 2.33 C ATOM 997 CD1 LEU A 63 3.321 -1.286 11.293 1.00 2.65 C ATOM 998 CD2 LEU A 63 1.575 0.232 12.414 1.00 2.67 C ATOM 0 H LEU A 63 3.146 2.577 13.775 1.00 0.87 H new ATOM 0 HA LEU A 63 3.840 -0.137 13.835 1.00 0.94 H new ATOM 0 HB2 LEU A 63 3.718 2.071 11.886 1.00 1.42 H new ATOM 0 HB3 LEU A 63 4.874 0.815 11.491 1.00 1.42 H new ATOM 0 HG LEU A 63 2.520 0.533 10.565 1.00 2.33 H new ATOM 0 HD11 LEU A 63 2.497 -1.894 10.920 1.00 2.65 H new ATOM 0 HD12 LEU A 63 4.126 -1.276 10.559 1.00 2.65 H new ATOM 0 HD13 LEU A 63 3.688 -1.708 12.228 1.00 2.65 H new ATOM 0 HD21 LEU A 63 0.797 -0.409 12.000 1.00 2.67 H new ATOM 0 HD22 LEU A 63 1.815 -0.095 13.426 1.00 2.67 H new ATOM 0 HD23 LEU A 63 1.220 1.262 12.441 1.00 2.67 H new ATOM 1010 N LYS A 64 6.392 1.844 14.236 1.00 1.50 N ATOM 1011 CA LYS A 64 7.754 1.779 14.744 1.00 1.84 C ATOM 1012 C LYS A 64 7.852 0.908 16.011 1.00 1.83 C ATOM 1013 O LYS A 64 8.918 0.370 16.300 1.00 2.02 O ATOM 1014 CB LYS A 64 8.300 3.193 14.969 1.00 2.29 C ATOM 1015 CG LYS A 64 9.803 3.136 15.268 1.00 1.55 C ATOM 1016 CD LYS A 64 10.452 4.512 15.095 1.00 1.92 C ATOM 1017 CE LYS A 64 11.968 4.379 15.301 1.00 2.86 C ATOM 1018 NZ LYS A 64 12.705 5.546 14.778 1.00 3.85 N ATOM 0 H LYS A 64 5.988 2.780 14.227 1.00 1.50 H new ATOM 0 HA LYS A 64 8.378 1.293 13.994 1.00 1.84 H new ATOM 0 HB2 LYS A 64 8.120 3.806 14.086 1.00 2.29 H new ATOM 0 HB3 LYS A 64 7.774 3.667 15.798 1.00 2.29 H new ATOM 0 HG2 LYS A 64 9.961 2.781 16.287 1.00 1.55 H new ATOM 0 HG3 LYS A 64 10.282 2.418 14.602 1.00 1.55 H new ATOM 0 HD2 LYS A 64 10.240 4.906 14.101 1.00 1.92 H new ATOM 0 HD3 LYS A 64 10.035 5.218 15.813 1.00 1.92 H new ATOM 0 HE2 LYS A 64 12.180 4.264 16.364 1.00 2.86 H new ATOM 0 HE3 LYS A 64 12.323 3.475 14.805 1.00 2.86 H new ATOM 0 HZ1 LYS A 64 13.624 5.236 14.402 1.00 3.85 H new ATOM 0 HZ2 LYS A 64 12.153 5.993 14.018 1.00 3.85 H new ATOM 0 HZ3 LYS A 64 12.858 6.232 15.545 1.00 3.85 H new ATOM 1032 N ALA A 65 6.763 0.776 16.773 1.00 1.71 N ATOM 1033 CA ALA A 65 6.639 -0.235 17.820 1.00 1.78 C ATOM 1034 C ALA A 65 6.363 -1.607 17.204 1.00 1.66 C ATOM 1035 O ALA A 65 7.148 -2.535 17.390 1.00 2.14 O ATOM 1036 CB ALA A 65 5.604 0.159 18.880 1.00 1.77 C ATOM 0 H ALA A 65 5.940 1.371 16.679 1.00 1.71 H new ATOM 0 HA ALA A 65 7.590 -0.299 18.348 1.00 1.78 H new ATOM 0 HB1 ALA A 65 5.545 -0.621 19.639 1.00 1.77 H new ATOM 0 HB2 ALA A 65 5.901 1.098 19.348 1.00 1.77 H new ATOM 0 HB3 ALA A 65 4.629 0.281 18.409 1.00 1.77 H new ATOM 1042 N GLU A 66 5.260 -1.738 16.451 1.00 1.23 N ATOM 1043 CA GLU A 66 4.832 -3.014 15.870 1.00 1.11 C ATOM 1044 C GLU A 66 5.959 -3.658 15.050 1.00 0.96 C ATOM 1045 O GLU A 66 5.986 -4.877 14.890 1.00 0.94 O ATOM 1046 CB GLU A 66 3.562 -2.883 15.010 1.00 1.00 C ATOM 1047 CG GLU A 66 2.443 -1.974 15.539 1.00 1.12 C ATOM 1048 CD GLU A 66 2.010 -2.196 16.977 1.00 1.41 C ATOM 1049 OE1 GLU A 66 1.005 -2.902 17.208 1.00 1.62 O ATOM 1050 OE2 GLU A 66 2.483 -1.426 17.844 1.00 2.86 O ATOM 0 H GLU A 66 4.640 -0.959 16.229 1.00 1.23 H new ATOM 0 HA GLU A 66 4.589 -3.662 16.712 1.00 1.11 H new ATOM 0 HB2 GLU A 66 3.857 -2.517 14.027 1.00 1.00 H new ATOM 0 HB3 GLU A 66 3.147 -3.881 14.868 1.00 1.00 H new ATOM 0 HG2 GLU A 66 2.768 -0.939 15.437 1.00 1.12 H new ATOM 0 HG3 GLU A 66 1.571 -2.099 14.897 1.00 1.12 H new ATOM 1057 N ASN A 67 6.880 -2.820 14.555 1.00 1.11 N ATOM 1058 CA ASN A 67 8.155 -3.084 13.906 1.00 0.83 C ATOM 1059 C ASN A 67 8.789 -4.411 14.284 1.00 0.92 C ATOM 1060 O ASN A 67 9.422 -4.990 13.406 1.00 1.34 O ATOM 1061 CB ASN A 67 9.139 -1.953 14.234 1.00 1.01 C ATOM 1062 CG ASN A 67 10.180 -1.697 13.150 1.00 1.73 C ATOM 1063 OD1 ASN A 67 10.462 -0.544 12.838 1.00 2.69 O ATOM 1064 ND2 ASN A 67 10.746 -2.729 12.536 1.00 2.05 N ATOM 0 H ASN A 67 6.719 -1.814 14.612 1.00 1.11 H new ATOM 0 HA ASN A 67 7.941 -3.136 12.839 1.00 0.83 H new ATOM 0 HB2 ASN A 67 8.576 -1.035 14.406 1.00 1.01 H new ATOM 0 HB3 ASN A 67 9.652 -2.192 15.166 1.00 1.01 H new ATOM 0 HD21 ASN A 67 11.426 -2.570 11.793 1.00 2.05 H new ATOM 0 HD22 ASN A 67 10.501 -3.681 12.807 1.00 2.05 H new ATOM 1071 N ILE A 68 8.657 -4.824 15.558 1.00 1.36 N ATOM 1072 CA ILE A 68 9.183 -6.061 16.158 1.00 1.80 C ATOM 1073 C ILE A 68 9.679 -7.072 15.116 1.00 1.82 C ATOM 1074 O ILE A 68 10.862 -7.405 15.121 1.00 1.90 O ATOM 1075 CB ILE A 68 8.178 -6.652 17.186 1.00 2.62 C ATOM 1076 CG1 ILE A 68 8.595 -6.310 18.630 1.00 2.76 C ATOM 1077 CG2 ILE A 68 8.037 -8.184 17.131 1.00 2.97 C ATOM 1078 CD1 ILE A 68 8.474 -4.821 18.955 1.00 3.11 C ATOM 0 H ILE A 68 8.146 -4.264 16.240 1.00 1.36 H new ATOM 0 HA ILE A 68 10.080 -5.799 16.719 1.00 1.80 H new ATOM 0 HB ILE A 68 7.226 -6.199 16.910 1.00 2.62 H new ATOM 0 HG12 ILE A 68 7.976 -6.878 19.324 1.00 2.76 H new ATOM 0 HG13 ILE A 68 9.626 -6.627 18.789 1.00 2.76 H new ATOM 0 HG21 ILE A 68 7.317 -8.510 17.881 1.00 2.97 H new ATOM 0 HG22 ILE A 68 7.691 -8.482 16.141 1.00 2.97 H new ATOM 0 HG23 ILE A 68 9.004 -8.646 17.331 1.00 2.97 H new ATOM 0 HD11 ILE A 68 8.782 -4.647 19.986 1.00 3.11 H new ATOM 0 HD12 ILE A 68 9.114 -4.249 18.283 1.00 3.11 H new ATOM 0 HD13 ILE A 68 7.439 -4.504 18.828 1.00 3.11 H new ATOM 1090 N ASP A 69 8.798 -7.497 14.201 1.00 2.10 N ATOM 1091 CA ASP A 69 9.192 -7.990 12.895 1.00 2.21 C ATOM 1092 C ASP A 69 8.015 -7.802 11.942 1.00 2.09 C ATOM 1093 O ASP A 69 7.250 -8.720 11.655 1.00 3.28 O ATOM 1094 CB ASP A 69 9.696 -9.421 12.949 1.00 3.21 C ATOM 1095 CG ASP A 69 10.617 -9.738 11.776 1.00 3.57 C ATOM 1096 OD1 ASP A 69 10.567 -8.983 10.779 1.00 3.26 O ATOM 1097 OD2 ASP A 69 11.398 -10.702 11.925 1.00 4.84 O ATOM 0 H ASP A 69 7.790 -7.504 14.356 1.00 2.10 H new ATOM 0 HA ASP A 69 10.041 -7.417 12.523 1.00 2.21 H new ATOM 0 HB2 ASP A 69 10.230 -9.584 13.885 1.00 3.21 H new ATOM 0 HB3 ASP A 69 8.848 -10.106 12.942 1.00 3.21 H new ATOM 1102 N VAL A 70 7.815 -6.550 11.541 1.00 0.86 N ATOM 1103 CA VAL A 70 6.899 -6.152 10.482 1.00 0.62 C ATOM 1104 C VAL A 70 7.536 -5.015 9.689 1.00 0.50 C ATOM 1105 O VAL A 70 8.588 -4.502 10.068 1.00 0.82 O ATOM 1106 CB VAL A 70 5.507 -5.755 11.013 1.00 0.55 C ATOM 1107 CG1 VAL A 70 4.922 -6.772 11.997 1.00 0.86 C ATOM 1108 CG2 VAL A 70 5.478 -4.362 11.644 1.00 0.53 C ATOM 0 H VAL A 70 8.304 -5.759 11.960 1.00 0.86 H new ATOM 0 HA VAL A 70 6.730 -7.011 9.832 1.00 0.62 H new ATOM 0 HB VAL A 70 4.878 -5.741 10.123 1.00 0.55 H new ATOM 0 HG11 VAL A 70 3.942 -6.432 12.332 1.00 0.86 H new ATOM 0 HG12 VAL A 70 4.822 -7.739 11.504 1.00 0.86 H new ATOM 0 HG13 VAL A 70 5.585 -6.870 12.856 1.00 0.86 H new ATOM 0 HG21 VAL A 70 4.470 -4.144 11.997 1.00 0.53 H new ATOM 0 HG22 VAL A 70 6.172 -4.328 12.484 1.00 0.53 H new ATOM 0 HG23 VAL A 70 5.771 -3.620 10.901 1.00 0.53 H new ATOM 1118 N ARG A 71 6.879 -4.600 8.606 1.00 0.66 N ATOM 1119 CA ARG A 71 7.347 -3.584 7.680 1.00 0.57 C ATOM 1120 C ARG A 71 6.102 -2.957 7.078 1.00 0.50 C ATOM 1121 O ARG A 71 5.087 -3.652 6.965 1.00 0.88 O ATOM 1122 CB ARG A 71 8.230 -4.272 6.630 1.00 1.16 C ATOM 1123 CG ARG A 71 9.363 -3.401 6.061 1.00 1.42 C ATOM 1124 CD ARG A 71 10.745 -4.010 6.355 1.00 0.92 C ATOM 1125 NE ARG A 71 10.835 -5.437 5.989 1.00 1.07 N ATOM 1126 CZ ARG A 71 11.060 -5.916 4.752 1.00 1.01 C ATOM 1127 NH1 ARG A 71 11.231 -5.093 3.713 1.00 0.81 N ATOM 1128 NH2 ARG A 71 11.104 -7.232 4.528 1.00 1.43 N ATOM 0 H ARG A 71 5.970 -4.982 8.345 1.00 0.66 H new ATOM 0 HA ARG A 71 7.948 -2.805 8.149 1.00 0.57 H new ATOM 0 HB2 ARG A 71 8.668 -5.166 7.075 1.00 1.16 H new ATOM 0 HB3 ARG A 71 7.598 -4.603 5.806 1.00 1.16 H new ATOM 0 HG2 ARG A 71 9.234 -3.292 4.984 1.00 1.42 H new ATOM 0 HG3 ARG A 71 9.306 -2.401 6.491 1.00 1.42 H new ATOM 0 HD2 ARG A 71 11.506 -3.452 5.809 1.00 0.92 H new ATOM 0 HD3 ARG A 71 10.967 -3.898 7.416 1.00 0.92 H new ATOM 0 HE ARG A 71 10.716 -6.119 6.738 1.00 1.07 H new ATOM 0 HH11 ARG A 71 11.192 -4.083 3.851 1.00 0.81 H new ATOM 0 HH12 ARG A 71 11.401 -5.475 2.782 1.00 0.81 H new ATOM 0 HH21 ARG A 71 10.966 -7.885 5.299 1.00 1.43 H new ATOM 0 HH22 ARG A 71 11.275 -7.584 3.586 1.00 1.43 H new ATOM 1142 N ILE A 72 6.159 -1.666 6.734 1.00 0.43 N ATOM 1143 CA ILE A 72 5.058 -1.019 6.040 1.00 0.39 C ATOM 1144 C ILE A 72 5.505 -0.797 4.582 1.00 0.39 C ATOM 1145 O ILE A 72 6.378 0.026 4.311 1.00 0.45 O ATOM 1146 CB ILE A 72 4.551 0.217 6.840 1.00 0.39 C ATOM 1147 CG1 ILE A 72 3.173 0.744 6.409 1.00 0.51 C ATOM 1148 CG2 ILE A 72 5.490 1.427 6.937 1.00 0.53 C ATOM 1149 CD1 ILE A 72 2.956 0.795 4.909 1.00 2.14 C ATOM 0 H ILE A 72 6.955 -1.057 6.927 1.00 0.43 H new ATOM 0 HA ILE A 72 4.159 -1.633 5.984 1.00 0.39 H new ATOM 0 HB ILE A 72 4.496 -0.239 7.828 1.00 0.39 H new ATOM 0 HG12 ILE A 72 2.403 0.113 6.853 1.00 0.51 H new ATOM 0 HG13 ILE A 72 3.038 1.746 6.816 1.00 0.51 H new ATOM 0 HG21 ILE A 72 5.011 2.213 7.521 1.00 0.53 H new ATOM 0 HG22 ILE A 72 6.419 1.129 7.423 1.00 0.53 H new ATOM 0 HG23 ILE A 72 5.708 1.800 5.936 1.00 0.53 H new ATOM 0 HD11 ILE A 72 1.958 1.179 4.699 1.00 2.14 H new ATOM 0 HD12 ILE A 72 3.700 1.450 4.456 1.00 2.14 H new ATOM 0 HD13 ILE A 72 3.054 -0.208 4.493 1.00 2.14 H new ATOM 1161 N ILE A 73 4.981 -1.587 3.637 1.00 0.36 N ATOM 1162 CA ILE A 73 5.280 -1.442 2.220 1.00 0.38 C ATOM 1163 C ILE A 73 4.270 -0.492 1.582 1.00 0.44 C ATOM 1164 O ILE A 73 3.110 -0.420 1.984 1.00 0.51 O ATOM 1165 CB ILE A 73 5.278 -2.834 1.552 1.00 0.39 C ATOM 1166 CG1 ILE A 73 6.649 -3.522 1.608 1.00 0.41 C ATOM 1167 CG2 ILE A 73 4.825 -2.834 0.081 1.00 0.45 C ATOM 1168 CD1 ILE A 73 7.137 -3.791 3.032 1.00 0.42 C ATOM 0 H ILE A 73 4.334 -2.348 3.843 1.00 0.36 H new ATOM 0 HA ILE A 73 6.271 -1.010 2.080 1.00 0.38 H new ATOM 0 HB ILE A 73 4.548 -3.386 2.144 1.00 0.39 H new ATOM 0 HG12 ILE A 73 6.596 -4.466 1.066 1.00 0.41 H new ATOM 0 HG13 ILE A 73 7.381 -2.900 1.093 1.00 0.41 H new ATOM 0 HG21 ILE A 73 4.854 -3.852 -0.309 1.00 0.45 H new ATOM 0 HG22 ILE A 73 3.808 -2.448 0.014 1.00 0.45 H new ATOM 0 HG23 ILE A 73 5.492 -2.202 -0.505 1.00 0.45 H new ATOM 0 HD11 ILE A 73 8.111 -4.279 2.997 1.00 0.42 H new ATOM 0 HD12 ILE A 73 7.223 -2.848 3.572 1.00 0.42 H new ATOM 0 HD13 ILE A 73 6.425 -4.439 3.544 1.00 0.42 H new ATOM 1180 N SER A 74 4.700 0.204 0.533 1.00 0.54 N ATOM 1181 CA SER A 74 3.824 1.065 -0.235 1.00 0.63 C ATOM 1182 C SER A 74 4.239 1.015 -1.698 1.00 0.68 C ATOM 1183 O SER A 74 5.170 1.711 -2.096 1.00 0.68 O ATOM 1184 CB SER A 74 3.965 2.488 0.303 1.00 0.69 C ATOM 1185 OG SER A 74 3.353 2.609 1.567 1.00 1.27 O ATOM 0 H SER A 74 5.663 0.183 0.197 1.00 0.54 H new ATOM 0 HA SER A 74 2.787 0.740 -0.150 1.00 0.63 H new ATOM 0 HB2 SER A 74 5.020 2.750 0.379 1.00 0.69 H new ATOM 0 HB3 SER A 74 3.511 3.192 -0.395 1.00 0.69 H new ATOM 0 HG SER A 74 2.379 2.577 1.463 1.00 1.27 H new ATOM 1191 N PHE A 75 3.574 0.212 -2.526 1.00 0.84 N ATOM 1192 CA PHE A 75 3.945 0.186 -3.929 1.00 0.89 C ATOM 1193 C PHE A 75 3.410 1.440 -4.618 1.00 0.79 C ATOM 1194 O PHE A 75 2.332 1.938 -4.288 1.00 0.81 O ATOM 1195 CB PHE A 75 3.513 -1.117 -4.606 1.00 1.14 C ATOM 1196 CG PHE A 75 2.031 -1.423 -4.564 1.00 0.74 C ATOM 1197 CD1 PHE A 75 1.172 -0.823 -5.503 1.00 1.73 C ATOM 1198 CD2 PHE A 75 1.539 -2.425 -3.707 1.00 1.81 C ATOM 1199 CE1 PHE A 75 -0.155 -1.263 -5.628 1.00 1.77 C ATOM 1200 CE2 PHE A 75 0.216 -2.881 -3.850 1.00 1.86 C ATOM 1201 CZ PHE A 75 -0.623 -2.310 -4.821 1.00 0.94 C ATOM 0 H PHE A 75 2.806 -0.405 -2.260 1.00 0.84 H new ATOM 0 HA PHE A 75 5.031 0.201 -4.019 1.00 0.89 H new ATOM 0 HB2 PHE A 75 3.828 -1.084 -5.649 1.00 1.14 H new ATOM 0 HB3 PHE A 75 4.048 -1.943 -4.137 1.00 1.14 H new ATOM 0 HD1 PHE A 75 1.535 -0.022 -6.129 1.00 1.73 H new ATOM 0 HD2 PHE A 75 2.176 -2.843 -2.941 1.00 1.81 H new ATOM 0 HE1 PHE A 75 -0.815 -0.796 -6.344 1.00 1.77 H new ATOM 0 HE2 PHE A 75 -0.155 -3.670 -3.213 1.00 1.86 H new ATOM 0 HZ PHE A 75 -1.631 -2.678 -4.946 1.00 0.94 H new ATOM 1211 N SER A 76 4.202 1.964 -5.553 1.00 0.69 N ATOM 1212 CA SER A 76 3.911 3.204 -6.240 1.00 0.61 C ATOM 1213 C SER A 76 2.835 2.967 -7.289 1.00 0.64 C ATOM 1214 O SER A 76 2.473 1.836 -7.612 1.00 0.61 O ATOM 1215 CB SER A 76 5.191 3.723 -6.898 1.00 0.66 C ATOM 1216 OG SER A 76 4.967 5.025 -7.407 1.00 1.30 O ATOM 0 H SER A 76 5.073 1.527 -5.852 1.00 0.69 H new ATOM 0 HA SER A 76 3.547 3.946 -5.529 1.00 0.61 H new ATOM 0 HB2 SER A 76 6.004 3.740 -6.172 1.00 0.66 H new ATOM 0 HB3 SER A 76 5.496 3.054 -7.703 1.00 0.66 H new ATOM 0 HG SER A 76 5.826 5.479 -7.533 1.00 1.30 H new ATOM 1222 N VAL A 77 2.317 4.076 -7.800 1.00 1.22 N ATOM 1223 CA VAL A 77 1.155 4.139 -8.653 1.00 1.18 C ATOM 1224 C VAL A 77 1.469 5.236 -9.668 1.00 1.11 C ATOM 1225 O VAL A 77 1.688 6.382 -9.282 1.00 1.18 O ATOM 1226 CB VAL A 77 -0.066 4.458 -7.781 1.00 1.10 C ATOM 1227 CG1 VAL A 77 -1.329 4.499 -8.651 1.00 1.08 C ATOM 1228 CG2 VAL A 77 -0.299 3.414 -6.675 1.00 1.26 C ATOM 0 H VAL A 77 2.720 4.995 -7.618 1.00 1.22 H new ATOM 0 HA VAL A 77 0.929 3.209 -9.175 1.00 1.18 H new ATOM 0 HB VAL A 77 0.134 5.422 -7.314 1.00 1.10 H new ATOM 0 HG11 VAL A 77 -2.193 4.726 -8.027 1.00 1.08 H new ATOM 0 HG12 VAL A 77 -1.220 5.269 -9.414 1.00 1.08 H new ATOM 0 HG13 VAL A 77 -1.472 3.531 -9.131 1.00 1.08 H new ATOM 0 HG21 VAL A 77 -1.176 3.693 -6.091 1.00 1.26 H new ATOM 0 HG22 VAL A 77 -0.460 2.435 -7.127 1.00 1.26 H new ATOM 0 HG23 VAL A 77 0.574 3.374 -6.023 1.00 1.26 H new ATOM 1238 N ASP A 78 1.576 4.855 -10.944 1.00 1.34 N ATOM 1239 CA ASP A 78 2.177 5.650 -12.008 1.00 1.48 C ATOM 1240 C ASP A 78 3.561 6.201 -11.617 1.00 1.28 C ATOM 1241 O ASP A 78 3.833 7.400 -11.724 1.00 1.41 O ATOM 1242 CB ASP A 78 1.206 6.738 -12.458 1.00 1.65 C ATOM 1243 CG ASP A 78 1.526 7.285 -13.840 1.00 1.99 C ATOM 1244 OD1 ASP A 78 2.676 7.154 -14.321 1.00 2.52 O ATOM 1245 OD2 ASP A 78 0.573 7.839 -14.430 1.00 2.72 O ATOM 0 H ASP A 78 1.233 3.952 -11.272 1.00 1.34 H new ATOM 0 HA ASP A 78 2.363 4.999 -12.862 1.00 1.48 H new ATOM 0 HB2 ASP A 78 0.193 6.336 -12.458 1.00 1.65 H new ATOM 0 HB3 ASP A 78 1.225 7.555 -11.737 1.00 1.65 H new ATOM 1250 N PRO A 79 4.491 5.318 -11.215 1.00 1.07 N ATOM 1251 CA PRO A 79 5.888 5.688 -11.116 1.00 0.99 C ATOM 1252 C PRO A 79 6.439 6.021 -12.506 1.00 1.02 C ATOM 1253 O PRO A 79 7.473 6.675 -12.598 1.00 1.13 O ATOM 1254 CB PRO A 79 6.601 4.464 -10.538 1.00 0.87 C ATOM 1255 CG PRO A 79 5.758 3.315 -11.085 1.00 0.92 C ATOM 1256 CD PRO A 79 4.341 3.880 -11.048 1.00 1.02 C ATOM 0 HA PRO A 79 6.034 6.567 -10.489 1.00 0.99 H new ATOM 0 HB2 PRO A 79 7.638 4.402 -10.869 1.00 0.87 H new ATOM 0 HB3 PRO A 79 6.614 4.477 -9.448 1.00 0.87 H new ATOM 0 HG2 PRO A 79 6.057 3.041 -12.097 1.00 0.92 H new ATOM 0 HG3 PRO A 79 5.851 2.419 -10.472 1.00 0.92 H new ATOM 0 HD2 PRO A 79 3.728 3.455 -11.843 1.00 1.02 H new ATOM 0 HD3 PRO A 79 3.849 3.644 -10.105 1.00 1.02 H new ATOM 1264 N GLU A 80 5.782 5.581 -13.587 1.00 0.99 N ATOM 1265 CA GLU A 80 6.221 5.899 -14.935 1.00 1.06 C ATOM 1266 C GLU A 80 6.295 7.410 -15.104 1.00 1.10 C ATOM 1267 O GLU A 80 7.350 7.934 -15.471 1.00 1.25 O ATOM 1268 CB GLU A 80 5.306 5.255 -15.979 1.00 1.19 C ATOM 1269 CG GLU A 80 5.451 3.729 -15.941 1.00 1.78 C ATOM 1270 CD GLU A 80 4.842 3.072 -17.172 1.00 2.07 C ATOM 1271 OE1 GLU A 80 5.156 3.539 -18.286 1.00 2.83 O ATOM 1272 OE2 GLU A 80 4.101 2.087 -16.970 1.00 2.92 O ATOM 0 H GLU A 80 4.943 5.003 -13.545 1.00 0.99 H new ATOM 0 HA GLU A 80 7.217 5.486 -15.092 1.00 1.06 H new ATOM 0 HB2 GLU A 80 4.270 5.534 -15.787 1.00 1.19 H new ATOM 0 HB3 GLU A 80 5.557 5.627 -16.972 1.00 1.19 H new ATOM 0 HG2 GLU A 80 6.507 3.466 -15.873 1.00 1.78 H new ATOM 0 HG3 GLU A 80 4.967 3.340 -15.045 1.00 1.78 H new ATOM 1279 N ASN A 81 5.212 8.125 -14.795 1.00 1.13 N ATOM 1280 CA ASN A 81 5.276 9.577 -14.757 1.00 1.34 C ATOM 1281 C ASN A 81 6.190 10.009 -13.613 1.00 1.67 C ATOM 1282 O ASN A 81 7.222 10.638 -13.851 1.00 2.31 O ATOM 1283 CB ASN A 81 3.879 10.197 -14.632 1.00 1.52 C ATOM 1284 CG ASN A 81 3.141 10.153 -15.967 1.00 2.11 C ATOM 1285 OD1 ASN A 81 3.107 11.139 -16.696 1.00 3.18 O ATOM 1286 ND2 ASN A 81 2.560 9.012 -16.315 1.00 2.36 N ATOM 0 H ASN A 81 4.299 7.727 -14.572 1.00 1.13 H new ATOM 0 HA ASN A 81 5.692 9.941 -15.697 1.00 1.34 H new ATOM 0 HB2 ASN A 81 3.305 9.660 -13.877 1.00 1.52 H new ATOM 0 HB3 ASN A 81 3.964 11.229 -14.293 1.00 1.52 H new ATOM 0 HD21 ASN A 81 2.071 8.940 -17.207 1.00 2.36 H new ATOM 0 HD22 ASN A 81 2.603 8.207 -15.691 1.00 2.36 H new ATOM 1293 N ASP A 82 5.810 9.678 -12.377 1.00 1.53 N ATOM 1294 CA ASP A 82 6.324 10.363 -11.196 1.00 1.77 C ATOM 1295 C ASP A 82 7.739 9.930 -10.800 1.00 1.85 C ATOM 1296 O ASP A 82 8.604 10.769 -10.555 1.00 3.17 O ATOM 1297 CB ASP A 82 5.318 10.201 -10.049 1.00 1.89 C ATOM 1298 CG ASP A 82 4.386 11.401 -10.015 1.00 2.23 C ATOM 1299 OD1 ASP A 82 4.761 12.405 -9.366 1.00 3.03 O ATOM 1300 OD2 ASP A 82 3.321 11.306 -10.661 1.00 2.82 O ATOM 0 H ASP A 82 5.143 8.934 -12.171 1.00 1.53 H new ATOM 0 HA ASP A 82 6.428 11.421 -11.438 1.00 1.77 H new ATOM 0 HB2 ASP A 82 4.743 9.285 -10.183 1.00 1.89 H new ATOM 0 HB3 ASP A 82 5.845 10.110 -9.099 1.00 1.89 H new ATOM 1305 N LYS A 83 7.988 8.621 -10.767 1.00 0.94 N ATOM 1306 CA LYS A 83 9.270 7.998 -10.431 1.00 0.89 C ATOM 1307 C LYS A 83 9.524 8.090 -8.913 1.00 0.75 C ATOM 1308 O LYS A 83 8.971 8.965 -8.248 1.00 0.70 O ATOM 1309 CB LYS A 83 10.405 8.556 -11.309 1.00 1.08 C ATOM 1310 CG LYS A 83 9.997 8.671 -12.789 1.00 1.58 C ATOM 1311 CD LYS A 83 11.132 9.221 -13.661 1.00 1.87 C ATOM 1312 CE LYS A 83 10.590 9.814 -14.973 1.00 2.19 C ATOM 1313 NZ LYS A 83 9.759 8.864 -15.741 1.00 2.42 N ATOM 0 H LYS A 83 7.267 7.933 -10.984 1.00 0.94 H new ATOM 0 HA LYS A 83 9.237 6.934 -10.663 1.00 0.89 H new ATOM 0 HB2 LYS A 83 10.699 9.538 -10.938 1.00 1.08 H new ATOM 0 HB3 LYS A 83 11.278 7.909 -11.224 1.00 1.08 H new ATOM 0 HG2 LYS A 83 9.699 7.690 -13.159 1.00 1.58 H new ATOM 0 HG3 LYS A 83 9.127 9.322 -12.875 1.00 1.58 H new ATOM 0 HD2 LYS A 83 11.678 9.988 -13.111 1.00 1.87 H new ATOM 0 HD3 LYS A 83 11.841 8.424 -13.885 1.00 1.87 H new ATOM 0 HE2 LYS A 83 10.000 10.702 -14.746 1.00 2.19 H new ATOM 0 HE3 LYS A 83 11.427 10.137 -15.592 1.00 2.19 H new ATOM 0 HZ1 LYS A 83 9.650 9.208 -16.716 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 10.219 7.931 -15.752 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 8.823 8.783 -15.296 1.00 2.42 H new ATOM 1327 N PRO A 84 10.332 7.199 -8.305 1.00 0.75 N ATOM 1328 CA PRO A 84 10.509 7.190 -6.857 1.00 0.67 C ATOM 1329 C PRO A 84 11.011 8.526 -6.305 1.00 0.65 C ATOM 1330 O PRO A 84 10.734 8.843 -5.154 1.00 0.62 O ATOM 1331 CB PRO A 84 11.461 6.036 -6.533 1.00 0.69 C ATOM 1332 CG PRO A 84 12.145 5.746 -7.865 1.00 0.78 C ATOM 1333 CD PRO A 84 11.072 6.098 -8.898 1.00 0.84 C ATOM 0 HA PRO A 84 9.546 7.044 -6.368 1.00 0.67 H new ATOM 0 HB2 PRO A 84 12.182 6.316 -5.765 1.00 0.69 H new ATOM 0 HB3 PRO A 84 10.922 5.164 -6.162 1.00 0.69 H new ATOM 0 HG2 PRO A 84 13.043 6.350 -7.996 1.00 0.78 H new ATOM 0 HG3 PRO A 84 12.450 4.702 -7.942 1.00 0.78 H new ATOM 0 HD2 PRO A 84 11.519 6.388 -9.849 1.00 0.84 H new ATOM 0 HD3 PRO A 84 10.421 5.247 -9.098 1.00 0.84 H new ATOM 1341 N LYS A 85 11.710 9.329 -7.113 1.00 0.68 N ATOM 1342 CA LYS A 85 12.054 10.702 -6.764 1.00 0.67 C ATOM 1343 C LYS A 85 10.846 11.481 -6.228 1.00 0.60 C ATOM 1344 O LYS A 85 10.979 12.234 -5.267 1.00 0.61 O ATOM 1345 CB LYS A 85 12.659 11.415 -7.969 1.00 0.76 C ATOM 1346 CG LYS A 85 13.644 12.512 -7.541 1.00 1.51 C ATOM 1347 CD LYS A 85 15.076 12.005 -7.304 1.00 1.81 C ATOM 1348 CE LYS A 85 15.808 11.713 -8.627 1.00 2.19 C ATOM 1349 NZ LYS A 85 17.220 11.328 -8.416 1.00 2.69 N ATOM 0 H LYS A 85 12.052 9.040 -8.029 1.00 0.68 H new ATOM 0 HA LYS A 85 12.792 10.663 -5.963 1.00 0.67 H new ATOM 0 HB2 LYS A 85 13.173 10.691 -8.601 1.00 0.76 H new ATOM 0 HB3 LYS A 85 11.863 11.854 -8.570 1.00 0.76 H new ATOM 0 HG2 LYS A 85 13.665 13.287 -8.308 1.00 1.51 H new ATOM 0 HG3 LYS A 85 13.278 12.979 -6.626 1.00 1.51 H new ATOM 0 HD2 LYS A 85 15.635 12.749 -6.736 1.00 1.81 H new ATOM 0 HD3 LYS A 85 15.045 11.099 -6.699 1.00 1.81 H new ATOM 0 HE2 LYS A 85 15.291 10.913 -9.156 1.00 2.19 H new ATOM 0 HE3 LYS A 85 15.766 12.596 -9.265 1.00 2.19 H new ATOM 0 HZ1 LYS A 85 17.670 11.142 -9.335 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 17.722 12.101 -7.935 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 17.262 10.470 -7.830 1.00 2.69 H new ATOM 1363 N GLN A 86 9.685 11.334 -6.870 1.00 0.58 N ATOM 1364 CA GLN A 86 8.484 12.070 -6.515 1.00 0.59 C ATOM 1365 C GLN A 86 7.935 11.558 -5.192 1.00 0.55 C ATOM 1366 O GLN A 86 7.558 12.344 -4.328 1.00 0.57 O ATOM 1367 CB GLN A 86 7.479 11.963 -7.657 1.00 0.66 C ATOM 1368 CG GLN A 86 7.818 12.970 -8.762 1.00 1.12 C ATOM 1369 CD GLN A 86 7.362 14.369 -8.386 1.00 1.37 C ATOM 1370 OE1 GLN A 86 8.166 15.222 -8.014 1.00 2.39 O ATOM 1371 NE2 GLN A 86 6.060 14.599 -8.470 1.00 1.76 N ATOM 0 H GLN A 86 9.558 10.695 -7.655 1.00 0.58 H new ATOM 0 HA GLN A 86 8.708 13.127 -6.372 1.00 0.59 H new ATOM 0 HB2 GLN A 86 7.486 10.951 -8.063 1.00 0.66 H new ATOM 0 HB3 GLN A 86 6.472 12.149 -7.283 1.00 0.66 H new ATOM 0 HG2 GLN A 86 8.893 12.970 -8.940 1.00 1.12 H new ATOM 0 HG3 GLN A 86 7.340 12.667 -9.694 1.00 1.12 H new ATOM 0 HE21 GLN A 86 5.431 13.860 -8.784 1.00 1.76 H new ATOM 0 HE22 GLN A 86 5.687 15.515 -8.221 1.00 1.76 H new ATOM 1380 N LEU A 87 7.946 10.238 -5.008 1.00 0.55 N ATOM 1381 CA LEU A 87 7.578 9.630 -3.742 1.00 0.58 C ATOM 1382 C LEU A 87 8.488 10.181 -2.635 1.00 0.55 C ATOM 1383 O LEU A 87 8.010 10.700 -1.629 1.00 0.57 O ATOM 1384 CB LEU A 87 7.635 8.095 -3.854 1.00 0.68 C ATOM 1385 CG LEU A 87 6.393 7.495 -4.541 1.00 0.75 C ATOM 1386 CD1 LEU A 87 6.201 7.851 -6.023 1.00 1.17 C ATOM 1387 CD2 LEU A 87 6.384 5.971 -4.413 1.00 1.59 C ATOM 0 H LEU A 87 8.209 9.569 -5.731 1.00 0.55 H new ATOM 0 HA LEU A 87 6.551 9.885 -3.482 1.00 0.58 H new ATOM 0 HB2 LEU A 87 8.526 7.810 -4.413 1.00 0.68 H new ATOM 0 HB3 LEU A 87 7.734 7.667 -2.857 1.00 0.68 H new ATOM 0 HG LEU A 87 5.563 7.956 -4.006 1.00 0.75 H new ATOM 0 HD11 LEU A 87 5.296 7.373 -6.398 1.00 1.17 H new ATOM 0 HD12 LEU A 87 6.111 8.932 -6.129 1.00 1.17 H new ATOM 0 HD13 LEU A 87 7.060 7.501 -6.595 1.00 1.17 H new ATOM 0 HD21 LEU A 87 5.498 5.570 -4.905 1.00 1.59 H new ATOM 0 HD22 LEU A 87 7.278 5.561 -4.884 1.00 1.59 H new ATOM 0 HD23 LEU A 87 6.370 5.694 -3.359 1.00 1.59 H new ATOM 1399 N LYS A 88 9.805 10.116 -2.840 1.00 0.56 N ATOM 1400 CA LYS A 88 10.795 10.561 -1.867 1.00 0.63 C ATOM 1401 C LYS A 88 10.678 12.071 -1.592 1.00 0.72 C ATOM 1402 O LYS A 88 10.780 12.493 -0.443 1.00 0.85 O ATOM 1403 CB LYS A 88 12.205 10.087 -2.290 1.00 0.71 C ATOM 1404 CG LYS A 88 12.863 9.253 -1.174 1.00 1.00 C ATOM 1405 CD LYS A 88 14.135 8.534 -1.651 1.00 1.34 C ATOM 1406 CE LYS A 88 14.684 7.593 -0.559 1.00 1.67 C ATOM 1407 NZ LYS A 88 15.806 6.758 -1.045 1.00 3.02 N ATOM 0 H LYS A 88 10.215 9.748 -3.698 1.00 0.56 H new ATOM 0 HA LYS A 88 10.597 10.094 -0.902 1.00 0.63 H new ATOM 0 HB2 LYS A 88 12.135 9.492 -3.201 1.00 0.71 H new ATOM 0 HB3 LYS A 88 12.829 10.950 -2.520 1.00 0.71 H new ATOM 0 HG2 LYS A 88 13.110 9.904 -0.335 1.00 1.00 H new ATOM 0 HG3 LYS A 88 12.149 8.516 -0.806 1.00 1.00 H new ATOM 0 HD2 LYS A 88 13.916 7.961 -2.552 1.00 1.34 H new ATOM 0 HD3 LYS A 88 14.894 9.270 -1.917 1.00 1.34 H new ATOM 0 HE2 LYS A 88 15.018 8.185 0.293 1.00 1.67 H new ATOM 0 HE3 LYS A 88 13.882 6.947 -0.203 1.00 1.67 H new ATOM 0 HZ1 LYS A 88 15.973 5.978 -0.377 1.00 3.02 H new ATOM 0 HZ2 LYS A 88 15.569 6.369 -1.980 1.00 3.02 H new ATOM 0 HZ3 LYS A 88 16.665 7.340 -1.120 1.00 3.02 H new ATOM 1421 N LYS A 89 10.417 12.891 -2.619 1.00 0.67 N ATOM 1422 CA LYS A 89 10.069 14.299 -2.436 1.00 0.72 C ATOM 1423 C LYS A 89 8.837 14.438 -1.541 1.00 0.74 C ATOM 1424 O LYS A 89 8.884 15.086 -0.502 1.00 0.86 O ATOM 1425 CB LYS A 89 9.789 14.971 -3.783 1.00 0.72 C ATOM 1426 CG LYS A 89 11.067 15.441 -4.478 1.00 1.42 C ATOM 1427 CD LYS A 89 10.665 15.983 -5.856 1.00 1.69 C ATOM 1428 CE LYS A 89 11.733 16.878 -6.498 1.00 2.37 C ATOM 1429 NZ LYS A 89 11.828 18.196 -5.835 1.00 2.69 N ATOM 0 H LYS A 89 10.442 12.595 -3.595 1.00 0.67 H new ATOM 0 HA LYS A 89 10.919 14.790 -1.961 1.00 0.72 H new ATOM 0 HB2 LYS A 89 9.262 14.272 -4.432 1.00 0.72 H new ATOM 0 HB3 LYS A 89 9.128 15.824 -3.630 1.00 0.72 H new ATOM 0 HG2 LYS A 89 11.562 16.214 -3.890 1.00 1.42 H new ATOM 0 HG3 LYS A 89 11.774 14.618 -4.580 1.00 1.42 H new ATOM 0 HD2 LYS A 89 10.458 15.145 -6.521 1.00 1.69 H new ATOM 0 HD3 LYS A 89 9.739 16.549 -5.759 1.00 1.69 H new ATOM 0 HE2 LYS A 89 12.700 16.378 -6.450 1.00 2.37 H new ATOM 0 HE3 LYS A 89 11.500 17.020 -7.553 1.00 2.37 H new ATOM 0 HZ1 LYS A 89 12.513 18.792 -6.343 1.00 2.69 H new ATOM 0 HZ2 LYS A 89 10.896 18.657 -5.843 1.00 2.69 H new ATOM 0 HZ3 LYS A 89 12.142 18.068 -4.852 1.00 2.69 H new ATOM 1443 N PHE A 90 7.726 13.833 -1.953 1.00 0.66 N ATOM 1444 CA PHE A 90 6.440 13.933 -1.279 1.00 0.68 C ATOM 1445 C PHE A 90 6.568 13.480 0.179 1.00 0.67 C ATOM 1446 O PHE A 90 5.944 14.035 1.082 1.00 0.68 O ATOM 1447 CB PHE A 90 5.441 13.090 -2.075 1.00 0.67 C ATOM 1448 CG PHE A 90 4.013 13.103 -1.573 1.00 0.75 C ATOM 1449 CD1 PHE A 90 3.641 12.199 -0.563 1.00 1.53 C ATOM 1450 CD2 PHE A 90 3.017 13.783 -2.302 1.00 2.02 C ATOM 1451 CE1 PHE A 90 2.285 11.946 -0.316 1.00 1.55 C ATOM 1452 CE2 PHE A 90 1.657 13.520 -2.055 1.00 2.19 C ATOM 1453 CZ PHE A 90 1.293 12.583 -1.074 1.00 1.17 C ATOM 0 H PHE A 90 7.697 13.245 -2.786 1.00 0.66 H new ATOM 0 HA PHE A 90 6.086 14.963 -1.243 1.00 0.68 H new ATOM 0 HB2 PHE A 90 5.445 13.437 -3.108 1.00 0.67 H new ATOM 0 HB3 PHE A 90 5.793 12.058 -2.084 1.00 0.67 H new ATOM 0 HD1 PHE A 90 4.399 11.700 0.022 1.00 1.53 H new ATOM 0 HD2 PHE A 90 3.298 14.508 -3.052 1.00 2.02 H new ATOM 0 HE1 PHE A 90 2.002 11.255 0.464 1.00 1.55 H new ATOM 0 HE2 PHE A 90 0.895 14.037 -2.618 1.00 2.19 H new ATOM 0 HZ PHE A 90 0.251 12.354 -0.904 1.00 1.17 H new ATOM 1463 N ALA A 91 7.424 12.487 0.417 1.00 0.72 N ATOM 1464 CA ALA A 91 7.706 11.943 1.732 1.00 0.80 C ATOM 1465 C ALA A 91 8.452 12.937 2.621 1.00 0.85 C ATOM 1466 O ALA A 91 8.459 12.799 3.839 1.00 1.11 O ATOM 1467 CB ALA A 91 8.550 10.686 1.557 1.00 0.80 C ATOM 0 H ALA A 91 7.953 12.030 -0.326 1.00 0.72 H new ATOM 0 HA ALA A 91 6.759 11.719 2.223 1.00 0.80 H new ATOM 0 HB1 ALA A 91 8.774 10.259 2.535 1.00 0.80 H new ATOM 0 HB2 ALA A 91 7.999 9.958 0.961 1.00 0.80 H new ATOM 0 HB3 ALA A 91 9.481 10.940 1.050 1.00 0.80 H new ATOM 1473 N ALA A 92 9.111 13.932 2.026 1.00 0.78 N ATOM 1474 CA ALA A 92 9.643 15.063 2.763 1.00 0.83 C ATOM 1475 C ALA A 92 8.520 15.997 3.232 1.00 0.73 C ATOM 1476 O ALA A 92 8.732 16.800 4.137 1.00 0.85 O ATOM 1477 CB ALA A 92 10.648 15.800 1.878 1.00 0.95 C ATOM 0 H ALA A 92 9.287 13.970 1.022 1.00 0.78 H new ATOM 0 HA ALA A 92 10.149 14.705 3.660 1.00 0.83 H new ATOM 0 HB1 ALA A 92 11.055 16.653 2.422 1.00 0.95 H new ATOM 0 HB2 ALA A 92 11.458 15.123 1.606 1.00 0.95 H new ATOM 0 HB3 ALA A 92 10.149 16.150 0.975 1.00 0.95 H new ATOM 1483 N ASN A 93 7.347 15.935 2.587 1.00 0.61 N ATOM 1484 CA ASN A 93 6.238 16.857 2.824 1.00 0.63 C ATOM 1485 C ASN A 93 5.233 16.229 3.785 1.00 0.69 C ATOM 1486 O ASN A 93 4.954 16.790 4.842 1.00 0.74 O ATOM 1487 CB ASN A 93 5.571 17.273 1.503 1.00 0.77 C ATOM 1488 CG ASN A 93 6.556 17.859 0.493 1.00 0.92 C ATOM 1489 OD1 ASN A 93 6.586 17.452 -0.663 1.00 2.10 O ATOM 1490 ND2 ASN A 93 7.375 18.822 0.908 1.00 2.12 N ATOM 0 H ASN A 93 7.143 15.232 1.877 1.00 0.61 H new ATOM 0 HA ASN A 93 6.630 17.764 3.284 1.00 0.63 H new ATOM 0 HB2 ASN A 93 5.080 16.405 1.062 1.00 0.77 H new ATOM 0 HB3 ASN A 93 4.793 18.008 1.711 1.00 0.77 H new ATOM 0 HD21 ASN A 93 8.045 19.236 0.260 1.00 2.12 H new ATOM 0 HD22 ASN A 93 7.333 19.146 1.874 1.00 2.12 H new ATOM 1497 N TYR A 94 4.703 15.052 3.445 1.00 0.78 N ATOM 1498 CA TYR A 94 3.996 14.232 4.423 1.00 0.87 C ATOM 1499 C TYR A 94 5.023 13.818 5.473 1.00 0.88 C ATOM 1500 O TYR A 94 6.018 13.210 5.091 1.00 0.93 O ATOM 1501 CB TYR A 94 3.373 13.012 3.754 1.00 0.98 C ATOM 1502 CG TYR A 94 2.050 13.371 3.124 1.00 1.07 C ATOM 1503 CD1 TYR A 94 2.036 14.077 1.915 1.00 2.62 C ATOM 1504 CD2 TYR A 94 0.860 13.213 3.859 1.00 1.43 C ATOM 1505 CE1 TYR A 94 0.819 14.527 1.386 1.00 2.79 C ATOM 1506 CE2 TYR A 94 -0.368 13.629 3.306 1.00 1.34 C ATOM 1507 CZ TYR A 94 -0.385 14.294 2.064 1.00 1.33 C ATOM 1508 OH TYR A 94 -1.547 14.718 1.486 1.00 1.57 O ATOM 0 H TYR A 94 4.751 14.651 2.508 1.00 0.78 H new ATOM 0 HA TYR A 94 3.179 14.788 4.882 1.00 0.87 H new ATOM 0 HB2 TYR A 94 4.050 12.622 2.994 1.00 0.98 H new ATOM 0 HB3 TYR A 94 3.229 12.221 4.490 1.00 0.98 H new ATOM 0 HD1 TYR A 94 2.960 14.274 1.392 1.00 2.62 H new ATOM 0 HD2 TYR A 94 0.888 12.774 4.845 1.00 1.43 H new ATOM 0 HE1 TYR A 94 0.809 15.059 0.446 1.00 2.79 H new ATOM 0 HE2 TYR A 94 -1.292 13.439 3.832 1.00 1.34 H new ATOM 0 HH TYR A 94 -2.308 14.278 1.920 1.00 1.57 H new ATOM 1518 N PRO A 95 4.840 14.150 6.760 1.00 0.90 N ATOM 1519 CA PRO A 95 5.871 13.968 7.768 1.00 0.95 C ATOM 1520 C PRO A 95 5.992 12.489 8.141 1.00 0.95 C ATOM 1521 O PRO A 95 5.613 12.086 9.240 1.00 1.05 O ATOM 1522 CB PRO A 95 5.430 14.854 8.941 1.00 1.04 C ATOM 1523 CG PRO A 95 3.905 14.826 8.837 1.00 1.04 C ATOM 1524 CD PRO A 95 3.677 14.815 7.325 1.00 0.96 C ATOM 0 HA PRO A 95 6.866 14.254 7.427 1.00 0.95 H new ATOM 0 HB2 PRO A 95 5.777 14.461 9.897 1.00 1.04 H new ATOM 0 HB3 PRO A 95 5.822 15.867 8.852 1.00 1.04 H new ATOM 0 HG2 PRO A 95 3.482 13.944 9.318 1.00 1.04 H new ATOM 0 HG3 PRO A 95 3.450 15.696 9.310 1.00 1.04 H new ATOM 0 HD2 PRO A 95 2.760 14.284 7.071 1.00 0.96 H new ATOM 0 HD3 PRO A 95 3.577 15.828 6.936 1.00 0.96 H new ATOM 1532 N LEU A 96 6.513 11.671 7.223 1.00 0.95 N ATOM 1533 CA LEU A 96 6.742 10.263 7.450 1.00 0.90 C ATOM 1534 C LEU A 96 8.190 10.021 7.823 1.00 0.81 C ATOM 1535 O LEU A 96 9.081 10.768 7.423 1.00 0.98 O ATOM 1536 CB LEU A 96 6.294 9.436 6.241 1.00 0.86 C ATOM 1537 CG LEU A 96 7.092 9.559 4.934 1.00 0.80 C ATOM 1538 CD1 LEU A 96 8.255 8.559 4.901 1.00 0.75 C ATOM 1539 CD2 LEU A 96 6.137 9.244 3.776 1.00 0.94 C ATOM 0 H LEU A 96 6.788 11.984 6.292 1.00 0.95 H new ATOM 0 HA LEU A 96 6.135 9.932 8.292 1.00 0.90 H new ATOM 0 HB2 LEU A 96 6.300 8.387 6.536 1.00 0.86 H new ATOM 0 HB3 LEU A 96 5.259 9.700 6.024 1.00 0.86 H new ATOM 0 HG LEU A 96 7.504 10.565 4.854 1.00 0.80 H new ATOM 0 HD11 LEU A 96 8.802 8.668 3.965 1.00 0.75 H new ATOM 0 HD12 LEU A 96 8.926 8.753 5.738 1.00 0.75 H new ATOM 0 HD13 LEU A 96 7.865 7.544 4.977 1.00 0.75 H new ATOM 0 HD21 LEU A 96 6.673 9.323 2.830 1.00 0.94 H new ATOM 0 HD22 LEU A 96 5.748 8.232 3.890 1.00 0.94 H new ATOM 0 HD23 LEU A 96 5.309 9.953 3.784 1.00 0.94 H new ATOM 1551 N SER A 97 8.408 8.945 8.574 1.00 0.87 N ATOM 1552 CA SER A 97 9.746 8.411 8.774 1.00 0.98 C ATOM 1553 C SER A 97 9.951 7.236 7.828 1.00 0.78 C ATOM 1554 O SER A 97 9.124 6.329 7.750 1.00 0.79 O ATOM 1555 CB SER A 97 10.005 7.994 10.221 1.00 1.29 C ATOM 1556 OG SER A 97 11.385 7.715 10.354 1.00 1.83 O ATOM 0 H SER A 97 7.672 8.427 9.054 1.00 0.87 H new ATOM 0 HA SER A 97 10.464 9.201 8.555 1.00 0.98 H new ATOM 0 HB2 SER A 97 9.709 8.789 10.906 1.00 1.29 H new ATOM 0 HB3 SER A 97 9.412 7.116 10.477 1.00 1.29 H new ATOM 0 HG SER A 97 11.559 7.339 11.242 1.00 1.83 H new ATOM 1562 N PHE A 98 11.087 7.252 7.132 1.00 0.75 N ATOM 1563 CA PHE A 98 11.554 6.164 6.290 1.00 0.66 C ATOM 1564 C PHE A 98 11.808 4.887 7.102 1.00 0.59 C ATOM 1565 O PHE A 98 11.774 3.799 6.530 1.00 0.53 O ATOM 1566 CB PHE A 98 12.832 6.619 5.580 1.00 0.90 C ATOM 1567 CG PHE A 98 12.614 7.789 4.634 1.00 1.07 C ATOM 1568 CD1 PHE A 98 12.162 7.548 3.325 1.00 1.54 C ATOM 1569 CD2 PHE A 98 12.728 9.115 5.096 1.00 2.49 C ATOM 1570 CE1 PHE A 98 11.779 8.619 2.498 1.00 1.61 C ATOM 1571 CE2 PHE A 98 12.351 10.186 4.267 1.00 2.57 C ATOM 1572 CZ PHE A 98 11.877 9.940 2.966 1.00 1.34 C ATOM 0 H PHE A 98 11.723 8.049 7.142 1.00 0.75 H new ATOM 0 HA PHE A 98 10.784 5.921 5.558 1.00 0.66 H new ATOM 0 HB2 PHE A 98 13.574 6.899 6.328 1.00 0.90 H new ATOM 0 HB3 PHE A 98 13.245 5.781 5.020 1.00 0.90 H new ATOM 0 HD1 PHE A 98 12.109 6.536 2.953 1.00 1.54 H new ATOM 0 HD2 PHE A 98 13.106 9.309 6.089 1.00 2.49 H new ATOM 0 HE1 PHE A 98 11.409 8.426 1.502 1.00 1.61 H new ATOM 0 HE2 PHE A 98 12.426 11.200 4.630 1.00 2.57 H new ATOM 0 HZ PHE A 98 11.589 10.763 2.329 1.00 1.34 H new ATOM 1582 N ASP A 99 12.063 5.053 8.410 1.00 0.75 N ATOM 1583 CA ASP A 99 12.347 4.072 9.452 1.00 0.77 C ATOM 1584 C ASP A 99 12.218 2.623 8.995 1.00 0.58 C ATOM 1585 O ASP A 99 13.198 1.885 8.932 1.00 0.61 O ATOM 1586 CB ASP A 99 11.399 4.348 10.635 1.00 1.09 C ATOM 1587 CG ASP A 99 12.101 4.941 11.841 1.00 1.20 C ATOM 1588 OD1 ASP A 99 13.030 4.313 12.384 1.00 1.93 O ATOM 1589 OD2 ASP A 99 11.664 6.005 12.334 1.00 2.68 O ATOM 0 H ASP A 99 12.075 5.995 8.801 1.00 0.75 H new ATOM 0 HA ASP A 99 13.392 4.187 9.740 1.00 0.77 H new ATOM 0 HB2 ASP A 99 10.613 5.029 10.310 1.00 1.09 H new ATOM 0 HB3 ASP A 99 10.914 3.417 10.927 1.00 1.09 H new ATOM 1594 N ASN A 100 10.977 2.221 8.717 1.00 0.58 N ATOM 1595 CA ASN A 100 10.635 0.852 8.367 1.00 0.58 C ATOM 1596 C ASN A 100 9.604 0.871 7.245 1.00 0.70 C ATOM 1597 O ASN A 100 8.606 0.147 7.297 1.00 1.07 O ATOM 1598 CB ASN A 100 10.067 0.244 9.650 1.00 0.83 C ATOM 1599 CG ASN A 100 9.812 -1.249 9.576 1.00 1.03 C ATOM 1600 OD1 ASN A 100 10.558 -1.987 8.942 1.00 1.99 O ATOM 1601 ND2 ASN A 100 8.773 -1.711 10.264 1.00 0.70 N ATOM 0 H ASN A 100 10.174 2.850 8.730 1.00 0.58 H new ATOM 0 HA ASN A 100 11.484 0.271 8.008 1.00 0.58 H new ATOM 0 HB2 ASN A 100 10.759 0.442 10.469 1.00 0.83 H new ATOM 0 HB3 ASN A 100 9.132 0.748 9.894 1.00 0.83 H new ATOM 0 HD21 ASN A 100 8.574 -2.711 10.277 1.00 0.70 H new ATOM 0 HD22 ASN A 100 8.175 -1.065 10.779 1.00 0.70 H new ATOM 1608 N TRP A 101 9.892 1.666 6.206 1.00 0.54 N ATOM 1609 CA TRP A 101 8.957 1.961 5.130 1.00 0.61 C ATOM 1610 C TRP A 101 9.582 1.648 3.771 1.00 0.62 C ATOM 1611 O TRP A 101 10.477 2.354 3.300 1.00 0.72 O ATOM 1612 CB TRP A 101 8.468 3.414 5.218 1.00 0.73 C ATOM 1613 CG TRP A 101 7.172 3.726 4.518 1.00 0.74 C ATOM 1614 CD1 TRP A 101 6.662 3.097 3.432 1.00 0.75 C ATOM 1615 CD2 TRP A 101 6.157 4.699 4.911 1.00 0.79 C ATOM 1616 NE1 TRP A 101 5.416 3.602 3.143 1.00 0.82 N ATOM 1617 CE2 TRP A 101 5.060 4.607 4.006 1.00 0.85 C ATOM 1618 CE3 TRP A 101 6.034 5.634 5.960 1.00 0.83 C ATOM 1619 CZ2 TRP A 101 3.921 5.416 4.109 1.00 0.95 C ATOM 1620 CZ3 TRP A 101 4.851 6.372 6.134 1.00 0.92 C ATOM 1621 CH2 TRP A 101 3.824 6.307 5.183 1.00 0.98 C ATOM 0 H TRP A 101 10.796 2.125 6.095 1.00 0.54 H new ATOM 0 HA TRP A 101 8.083 1.319 5.241 1.00 0.61 H new ATOM 0 HB2 TRP A 101 8.360 3.675 6.271 1.00 0.73 H new ATOM 0 HB3 TRP A 101 9.243 4.061 4.807 1.00 0.73 H new ATOM 0 HD1 TRP A 101 7.159 2.316 2.876 1.00 0.75 H new ATOM 0 HE1 TRP A 101 4.828 3.269 2.379 1.00 0.82 H new ATOM 0 HE3 TRP A 101 6.860 5.785 6.639 1.00 0.83 H new ATOM 0 HZ2 TRP A 101 3.133 5.353 3.373 1.00 0.95 H new ATOM 0 HZ3 TRP A 101 4.732 6.995 7.008 1.00 0.92 H new ATOM 0 HH2 TRP A 101 2.958 6.945 5.279 1.00 0.98 H new ATOM 1632 N ASP A 102 9.068 0.608 3.117 1.00 0.56 N ATOM 1633 CA ASP A 102 9.510 0.202 1.794 1.00 0.61 C ATOM 1634 C ASP A 102 8.521 0.742 0.758 1.00 0.57 C ATOM 1635 O ASP A 102 7.561 0.069 0.380 1.00 0.65 O ATOM 1636 CB ASP A 102 9.644 -1.326 1.743 1.00 0.61 C ATOM 1637 CG ASP A 102 11.015 -1.815 2.181 1.00 0.60 C ATOM 1638 OD1 ASP A 102 11.985 -1.493 1.461 1.00 1.86 O ATOM 1639 OD2 ASP A 102 11.071 -2.543 3.198 1.00 1.92 O ATOM 0 H ASP A 102 8.326 0.021 3.499 1.00 0.56 H new ATOM 0 HA ASP A 102 10.492 0.616 1.566 1.00 0.61 H new ATOM 0 HB2 ASP A 102 8.883 -1.774 2.382 1.00 0.61 H new ATOM 0 HB3 ASP A 102 9.449 -1.669 0.727 1.00 0.61 H new ATOM 1644 N PHE A 103 8.767 1.956 0.257 1.00 0.54 N ATOM 1645 CA PHE A 103 8.030 2.442 -0.902 1.00 0.60 C ATOM 1646 C PHE A 103 8.603 1.738 -2.132 1.00 0.58 C ATOM 1647 O PHE A 103 9.800 1.872 -2.381 1.00 0.60 O ATOM 1648 CB PHE A 103 8.147 3.964 -1.058 1.00 0.69 C ATOM 1649 CG PHE A 103 7.187 4.777 -0.213 1.00 0.83 C ATOM 1650 CD1 PHE A 103 5.878 5.016 -0.676 1.00 2.50 C ATOM 1651 CD2 PHE A 103 7.622 5.382 0.979 1.00 1.38 C ATOM 1652 CE1 PHE A 103 5.017 5.861 0.044 1.00 2.68 C ATOM 1653 CE2 PHE A 103 6.771 6.245 1.687 1.00 1.34 C ATOM 1654 CZ PHE A 103 5.468 6.488 1.219 1.00 1.23 C ATOM 0 H PHE A 103 9.458 2.606 0.631 1.00 0.54 H new ATOM 0 HA PHE A 103 6.969 2.223 -0.779 1.00 0.60 H new ATOM 0 HB2 PHE A 103 9.166 4.261 -0.809 1.00 0.69 H new ATOM 0 HB3 PHE A 103 7.988 4.219 -2.106 1.00 0.69 H new ATOM 0 HD1 PHE A 103 5.535 4.548 -1.587 1.00 2.50 H new ATOM 0 HD2 PHE A 103 8.616 5.182 1.352 1.00 1.38 H new ATOM 0 HE1 PHE A 103 4.009 6.029 -0.305 1.00 2.68 H new ATOM 0 HE2 PHE A 103 7.117 6.722 2.592 1.00 1.34 H new ATOM 0 HZ PHE A 103 4.814 7.155 1.761 1.00 1.23 H new ATOM 1664 N LEU A 104 7.784 0.971 -2.863 1.00 0.64 N ATOM 1665 CA LEU A 104 8.238 0.099 -3.949 1.00 0.64 C ATOM 1666 C LEU A 104 7.942 0.685 -5.325 1.00 0.72 C ATOM 1667 O LEU A 104 6.897 1.301 -5.526 1.00 0.85 O ATOM 1668 CB LEU A 104 7.668 -1.318 -3.816 1.00 0.66 C ATOM 1669 CG LEU A 104 7.947 -1.955 -2.447 1.00 0.57 C ATOM 1670 CD1 LEU A 104 7.476 -3.406 -2.459 1.00 0.53 C ATOM 1671 CD2 LEU A 104 9.437 -1.953 -2.103 1.00 0.57 C ATOM 0 H LEU A 104 6.776 0.940 -2.713 1.00 0.64 H new ATOM 0 HA LEU A 104 9.322 0.030 -3.857 1.00 0.64 H new ATOM 0 HB2 LEU A 104 6.591 -1.287 -3.983 1.00 0.66 H new ATOM 0 HB3 LEU A 104 8.093 -1.949 -4.597 1.00 0.66 H new ATOM 0 HG LEU A 104 7.413 -1.365 -1.703 1.00 0.57 H new ATOM 0 HD11 LEU A 104 7.673 -3.861 -1.488 1.00 0.53 H new ATOM 0 HD12 LEU A 104 6.406 -3.440 -2.665 1.00 0.53 H new ATOM 0 HD13 LEU A 104 8.012 -3.956 -3.233 1.00 0.53 H new ATOM 0 HD21 LEU A 104 9.586 -2.413 -1.126 1.00 0.57 H new ATOM 0 HD22 LEU A 104 9.985 -2.517 -2.857 1.00 0.57 H new ATOM 0 HD23 LEU A 104 9.804 -0.927 -2.080 1.00 0.57 H new ATOM 1683 N THR A 105 8.860 0.488 -6.274 1.00 0.67 N ATOM 1684 CA THR A 105 8.709 0.976 -7.633 1.00 0.73 C ATOM 1685 C THR A 105 7.870 -0.019 -8.439 1.00 1.11 C ATOM 1686 O THR A 105 6.741 0.271 -8.824 1.00 1.42 O ATOM 1687 CB THR A 105 10.100 1.196 -8.254 1.00 0.67 C ATOM 1688 OG1 THR A 105 10.839 -0.011 -8.261 1.00 0.89 O ATOM 1689 CG2 THR A 105 10.892 2.241 -7.464 1.00 0.58 C ATOM 0 H THR A 105 9.731 -0.018 -6.113 1.00 0.67 H new ATOM 0 HA THR A 105 8.187 1.933 -7.640 1.00 0.73 H new ATOM 0 HB THR A 105 9.948 1.546 -9.275 1.00 0.67 H new ATOM 0 HG1 THR A 105 11.061 -0.264 -7.341 1.00 0.89 H new ATOM 0 HG21 THR A 105 11.871 2.379 -7.923 1.00 0.58 H new ATOM 0 HG22 THR A 105 10.352 3.188 -7.470 1.00 0.58 H new ATOM 0 HG23 THR A 105 11.017 1.902 -6.436 1.00 0.58 H new ATOM 1697 N GLY A 106 8.459 -1.189 -8.698 1.00 1.24 N ATOM 1698 CA GLY A 106 7.939 -2.204 -9.606 1.00 1.69 C ATOM 1699 C GLY A 106 7.951 -1.724 -11.061 1.00 1.41 C ATOM 1700 O GLY A 106 7.176 -2.215 -11.875 1.00 1.41 O ATOM 0 H GLY A 106 9.341 -1.461 -8.264 1.00 1.24 H new ATOM 0 HA2 GLY A 106 8.536 -3.112 -9.517 1.00 1.69 H new ATOM 0 HA3 GLY A 106 6.921 -2.463 -9.317 1.00 1.69 H new ATOM 1704 N TYR A 107 8.843 -0.778 -11.372 1.00 1.39 N ATOM 1705 CA TYR A 107 8.961 -0.091 -12.653 1.00 1.18 C ATOM 1706 C TYR A 107 7.618 0.170 -13.341 1.00 1.03 C ATOM 1707 O TYR A 107 6.854 0.977 -12.818 1.00 1.42 O ATOM 1708 CB TYR A 107 10.094 -0.695 -13.496 1.00 1.69 C ATOM 1709 CG TYR A 107 10.731 0.268 -14.484 1.00 1.96 C ATOM 1710 CD1 TYR A 107 11.781 1.104 -14.056 1.00 3.08 C ATOM 1711 CD2 TYR A 107 10.315 0.312 -15.829 1.00 2.58 C ATOM 1712 CE1 TYR A 107 12.418 1.966 -14.965 1.00 3.53 C ATOM 1713 CE2 TYR A 107 10.939 1.189 -16.733 1.00 3.01 C ATOM 1714 CZ TYR A 107 11.998 2.004 -16.305 1.00 3.03 C ATOM 1715 OH TYR A 107 12.627 2.823 -17.196 1.00 3.64 O ATOM 0 H TYR A 107 9.537 -0.457 -10.697 1.00 1.39 H new ATOM 0 HA TYR A 107 9.286 0.934 -12.476 1.00 1.18 H new ATOM 0 HB2 TYR A 107 10.867 -1.071 -12.826 1.00 1.69 H new ATOM 0 HB3 TYR A 107 9.703 -1.552 -14.045 1.00 1.69 H new ATOM 0 HD1 TYR A 107 12.098 1.082 -13.024 1.00 3.08 H new ATOM 0 HD2 TYR A 107 9.515 -0.330 -16.167 1.00 2.58 H new ATOM 0 HE1 TYR A 107 13.229 2.598 -14.634 1.00 3.53 H new ATOM 0 HE2 TYR A 107 10.603 1.236 -17.758 1.00 3.01 H new ATOM 0 HH TYR A 107 12.212 2.726 -18.079 1.00 3.64 H new ATOM 1725 N SER A 108 7.330 -0.400 -14.512 1.00 0.86 N ATOM 1726 CA SER A 108 6.174 0.065 -15.265 1.00 0.88 C ATOM 1727 C SER A 108 4.859 -0.315 -14.578 1.00 0.88 C ATOM 1728 O SER A 108 4.787 -1.282 -13.820 1.00 0.93 O ATOM 1729 CB SER A 108 6.223 -0.440 -16.711 1.00 1.21 C ATOM 1730 OG SER A 108 6.117 -1.846 -16.745 1.00 2.50 O ATOM 0 H SER A 108 7.861 -1.156 -14.944 1.00 0.86 H new ATOM 0 HA SER A 108 6.214 1.154 -15.292 1.00 0.88 H new ATOM 0 HB2 SER A 108 5.412 0.006 -17.286 1.00 1.21 H new ATOM 0 HB3 SER A 108 7.156 -0.128 -17.180 1.00 1.21 H new ATOM 0 HG SER A 108 7.007 -2.244 -16.647 1.00 2.50 H new ATOM 1736 N GLN A 109 3.791 0.413 -14.916 1.00 1.10 N ATOM 1737 CA GLN A 109 2.426 -0.041 -14.741 1.00 1.19 C ATOM 1738 C GLN A 109 2.324 -1.456 -15.293 1.00 1.05 C ATOM 1739 O GLN A 109 1.838 -2.326 -14.591 1.00 1.03 O ATOM 1740 CB GLN A 109 1.429 0.898 -15.437 1.00 1.54 C ATOM 1741 CG GLN A 109 1.352 2.310 -14.836 1.00 1.92 C ATOM 1742 CD GLN A 109 0.737 2.311 -13.438 1.00 2.31 C ATOM 1743 OE1 GLN A 109 1.545 2.026 -12.421 1.00 3.09 O flip ATOM 1744 NE2 GLN A 109 -0.460 2.540 -13.262 1.00 2.51 N flip ATOM 0 H GLN A 109 3.861 1.345 -15.324 1.00 1.10 H new ATOM 0 HA GLN A 109 2.170 -0.035 -13.681 1.00 1.19 H new ATOM 0 HB2 GLN A 109 1.701 0.980 -16.489 1.00 1.54 H new ATOM 0 HB3 GLN A 109 0.438 0.447 -15.398 1.00 1.54 H new ATOM 0 HG2 GLN A 109 2.353 2.738 -14.791 1.00 1.92 H new ATOM 0 HG3 GLN A 109 0.761 2.950 -15.491 1.00 1.92 H new ATOM 0 HE21 GLN A 109 -1.060 2.756 -14.058 1.00 2.51 H new ATOM 0 HE22 GLN A 109 -0.851 2.513 -12.320 1.00 2.51 H new ATOM 1753 N SER A 110 2.827 -1.703 -16.504 1.00 1.14 N ATOM 1754 CA SER A 110 2.760 -3.025 -17.123 1.00 1.27 C ATOM 1755 C SER A 110 3.292 -4.100 -16.163 1.00 1.09 C ATOM 1756 O SER A 110 2.633 -5.109 -15.917 1.00 1.23 O ATOM 1757 CB SER A 110 3.514 -3.016 -18.462 1.00 1.56 C ATOM 1758 OG SER A 110 3.202 -4.167 -19.222 1.00 2.01 O ATOM 0 H SER A 110 3.288 -0.997 -17.078 1.00 1.14 H new ATOM 0 HA SER A 110 1.719 -3.273 -17.332 1.00 1.27 H new ATOM 0 HB2 SER A 110 3.252 -2.121 -19.026 1.00 1.56 H new ATOM 0 HB3 SER A 110 4.588 -2.975 -18.280 1.00 1.56 H new ATOM 0 HG SER A 110 3.691 -4.141 -20.071 1.00 2.01 H new ATOM 1764 N GLU A 111 4.471 -3.860 -15.584 1.00 0.95 N ATOM 1765 CA GLU A 111 5.087 -4.758 -14.622 1.00 0.98 C ATOM 1766 C GLU A 111 4.238 -4.892 -13.351 1.00 0.87 C ATOM 1767 O GLU A 111 3.775 -5.981 -13.011 1.00 1.03 O ATOM 1768 CB GLU A 111 6.494 -4.228 -14.324 1.00 1.07 C ATOM 1769 CG GLU A 111 7.457 -4.599 -15.458 1.00 2.36 C ATOM 1770 CD GLU A 111 8.678 -3.699 -15.447 1.00 3.44 C ATOM 1771 OE1 GLU A 111 8.477 -2.517 -15.803 1.00 4.54 O ATOM 1772 OE2 GLU A 111 9.767 -4.185 -15.077 1.00 3.96 O ATOM 0 H GLU A 111 5.026 -3.026 -15.776 1.00 0.95 H new ATOM 0 HA GLU A 111 5.155 -5.764 -15.036 1.00 0.98 H new ATOM 0 HB2 GLU A 111 6.464 -3.145 -14.204 1.00 1.07 H new ATOM 0 HB3 GLU A 111 6.854 -4.643 -13.383 1.00 1.07 H new ATOM 0 HG2 GLU A 111 7.766 -5.639 -15.353 1.00 2.36 H new ATOM 0 HG3 GLU A 111 6.946 -4.514 -16.417 1.00 2.36 H new ATOM 1779 N ILE A 112 4.066 -3.796 -12.613 1.00 0.80 N ATOM 1780 CA ILE A 112 3.463 -3.838 -11.281 1.00 1.05 C ATOM 1781 C ILE A 112 1.955 -4.162 -11.350 1.00 1.04 C ATOM 1782 O ILE A 112 1.383 -4.659 -10.378 1.00 1.14 O ATOM 1783 CB ILE A 112 3.878 -2.563 -10.510 1.00 1.42 C ATOM 1784 CG1 ILE A 112 3.983 -2.725 -8.982 1.00 2.23 C ATOM 1785 CG2 ILE A 112 3.087 -1.319 -10.912 1.00 1.47 C ATOM 1786 CD1 ILE A 112 2.697 -2.424 -8.216 1.00 1.10 C ATOM 0 H ILE A 112 4.338 -2.861 -12.918 1.00 0.80 H new ATOM 0 HA ILE A 112 3.846 -4.670 -10.690 1.00 1.05 H new ATOM 0 HB ILE A 112 4.904 -2.398 -10.839 1.00 1.42 H new ATOM 0 HG12 ILE A 112 4.291 -3.747 -8.759 1.00 2.23 H new ATOM 0 HG13 ILE A 112 4.771 -2.067 -8.614 1.00 2.23 H new ATOM 0 HG21 ILE A 112 3.432 -0.464 -10.330 1.00 1.47 H new ATOM 0 HG22 ILE A 112 3.237 -1.120 -11.973 1.00 1.47 H new ATOM 0 HG23 ILE A 112 2.027 -1.484 -10.720 1.00 1.47 H new ATOM 0 HD11 ILE A 112 2.868 -2.565 -7.149 1.00 1.10 H new ATOM 0 HD12 ILE A 112 2.395 -1.393 -8.402 1.00 1.10 H new ATOM 0 HD13 ILE A 112 1.908 -3.099 -8.549 1.00 1.10 H new ATOM 1798 N GLU A 113 1.319 -3.944 -12.508 1.00 1.01 N ATOM 1799 CA GLU A 113 -0.084 -4.250 -12.753 1.00 1.09 C ATOM 1800 C GLU A 113 -0.392 -5.696 -12.418 1.00 0.92 C ATOM 1801 O GLU A 113 -1.224 -5.921 -11.553 1.00 0.90 O ATOM 1802 CB GLU A 113 -0.522 -3.903 -14.186 1.00 1.32 C ATOM 1803 CG GLU A 113 -1.985 -4.287 -14.468 1.00 1.74 C ATOM 1804 CD GLU A 113 -2.465 -3.838 -15.844 1.00 2.17 C ATOM 1805 OE1 GLU A 113 -1.700 -3.121 -16.525 1.00 2.76 O ATOM 1806 OE2 GLU A 113 -3.611 -4.205 -16.181 1.00 3.26 O ATOM 0 H GLU A 113 1.785 -3.538 -13.319 1.00 1.01 H new ATOM 0 HA GLU A 113 -0.667 -3.614 -12.087 1.00 1.09 H new ATOM 0 HB2 GLU A 113 -0.393 -2.834 -14.352 1.00 1.32 H new ATOM 0 HB3 GLU A 113 0.127 -4.417 -14.895 1.00 1.32 H new ATOM 0 HG2 GLU A 113 -2.093 -5.369 -14.387 1.00 1.74 H new ATOM 0 HG3 GLU A 113 -2.625 -3.845 -13.704 1.00 1.74 H new ATOM 1813 N GLU A 114 0.237 -6.673 -13.083 1.00 0.91 N ATOM 1814 CA GLU A 114 -0.152 -8.073 -12.952 1.00 0.93 C ATOM 1815 C GLU A 114 -0.221 -8.461 -11.471 1.00 0.80 C ATOM 1816 O GLU A 114 -1.261 -8.897 -10.971 1.00 0.82 O ATOM 1817 CB GLU A 114 0.800 -8.947 -13.764 1.00 1.13 C ATOM 1818 CG GLU A 114 0.348 -10.410 -13.797 1.00 1.40 C ATOM 1819 CD GLU A 114 1.329 -11.279 -14.572 1.00 1.63 C ATOM 1820 OE1 GLU A 114 2.505 -11.311 -14.152 1.00 2.57 O ATOM 1821 OE2 GLU A 114 0.886 -11.891 -15.567 1.00 2.14 O ATOM 0 H GLU A 114 1.019 -6.514 -13.718 1.00 0.91 H new ATOM 0 HA GLU A 114 -1.151 -8.231 -13.359 1.00 0.93 H new ATOM 0 HB2 GLU A 114 0.864 -8.564 -14.783 1.00 1.13 H new ATOM 0 HB3 GLU A 114 1.801 -8.886 -13.337 1.00 1.13 H new ATOM 0 HG2 GLU A 114 0.253 -10.786 -12.778 1.00 1.40 H new ATOM 0 HG3 GLU A 114 -0.639 -10.477 -14.254 1.00 1.40 H new ATOM 1828 N PHE A 115 0.883 -8.199 -10.769 1.00 0.77 N ATOM 1829 CA PHE A 115 0.988 -8.274 -9.322 1.00 0.74 C ATOM 1830 C PHE A 115 -0.231 -7.639 -8.638 1.00 0.70 C ATOM 1831 O PHE A 115 -0.950 -8.309 -7.896 1.00 0.77 O ATOM 1832 CB PHE A 115 2.301 -7.598 -8.889 1.00 0.74 C ATOM 1833 CG PHE A 115 2.327 -7.176 -7.432 1.00 0.69 C ATOM 1834 CD1 PHE A 115 2.198 -8.140 -6.419 1.00 2.02 C ATOM 1835 CD2 PHE A 115 2.195 -5.814 -7.112 1.00 1.61 C ATOM 1836 CE1 PHE A 115 1.883 -7.749 -5.105 1.00 2.06 C ATOM 1837 CE2 PHE A 115 1.887 -5.420 -5.802 1.00 1.66 C ATOM 1838 CZ PHE A 115 1.707 -6.387 -4.800 1.00 0.90 C ATOM 0 H PHE A 115 1.757 -7.919 -11.215 1.00 0.77 H new ATOM 0 HA PHE A 115 1.003 -9.319 -9.011 1.00 0.74 H new ATOM 0 HB2 PHE A 115 3.128 -8.283 -9.073 1.00 0.74 H new ATOM 0 HB3 PHE A 115 2.469 -6.721 -9.514 1.00 0.74 H new ATOM 0 HD1 PHE A 115 2.341 -9.185 -6.650 1.00 2.02 H new ATOM 0 HD2 PHE A 115 2.332 -5.066 -7.879 1.00 1.61 H new ATOM 0 HE1 PHE A 115 1.776 -8.494 -4.331 1.00 2.06 H new ATOM 0 HE2 PHE A 115 1.788 -4.371 -5.563 1.00 1.66 H new ATOM 0 HZ PHE A 115 1.435 -6.086 -3.799 1.00 0.90 H new ATOM 1848 N ALA A 116 -0.458 -6.342 -8.853 1.00 0.68 N ATOM 1849 CA ALA A 116 -1.477 -5.584 -8.137 1.00 0.76 C ATOM 1850 C ALA A 116 -2.907 -6.006 -8.494 1.00 0.70 C ATOM 1851 O ALA A 116 -3.815 -5.880 -7.671 1.00 0.72 O ATOM 1852 CB ALA A 116 -1.267 -4.102 -8.421 1.00 0.99 C ATOM 0 H ALA A 116 0.064 -5.788 -9.532 1.00 0.68 H new ATOM 0 HA ALA A 116 -1.365 -5.792 -7.073 1.00 0.76 H new ATOM 0 HB1 ALA A 116 -2.022 -3.520 -7.892 1.00 0.99 H new ATOM 0 HB2 ALA A 116 -0.275 -3.804 -8.082 1.00 0.99 H new ATOM 0 HB3 ALA A 116 -1.354 -3.921 -9.492 1.00 0.99 H new ATOM 1858 N LEU A 117 -3.124 -6.488 -9.716 1.00 0.72 N ATOM 1859 CA LEU A 117 -4.398 -6.971 -10.212 1.00 0.85 C ATOM 1860 C LEU A 117 -4.714 -8.288 -9.518 1.00 0.92 C ATOM 1861 O LEU A 117 -5.752 -8.429 -8.876 1.00 0.99 O ATOM 1862 CB LEU A 117 -4.347 -7.134 -11.739 1.00 1.10 C ATOM 1863 CG LEU A 117 -5.583 -6.604 -12.482 1.00 1.44 C ATOM 1864 CD1 LEU A 117 -6.864 -7.275 -11.980 1.00 1.58 C ATOM 1865 CD2 LEU A 117 -5.693 -5.076 -12.413 1.00 1.69 C ATOM 0 H LEU A 117 -2.381 -6.553 -10.412 1.00 0.72 H new ATOM 0 HA LEU A 117 -5.189 -6.254 -9.992 1.00 0.85 H new ATOM 0 HB2 LEU A 117 -3.464 -6.619 -12.117 1.00 1.10 H new ATOM 0 HB3 LEU A 117 -4.224 -8.191 -11.974 1.00 1.10 H new ATOM 0 HG LEU A 117 -5.455 -6.865 -13.532 1.00 1.44 H new ATOM 0 HD11 LEU A 117 -7.720 -6.878 -12.525 1.00 1.58 H new ATOM 0 HD12 LEU A 117 -6.798 -8.351 -12.141 1.00 1.58 H new ATOM 0 HD13 LEU A 117 -6.987 -7.074 -10.916 1.00 1.58 H new ATOM 0 HD21 LEU A 117 -6.582 -4.750 -12.953 1.00 1.69 H new ATOM 0 HD22 LEU A 117 -5.766 -4.763 -11.371 1.00 1.69 H new ATOM 0 HD23 LEU A 117 -4.809 -4.627 -12.866 1.00 1.69 H new ATOM 1877 N LYS A 118 -3.785 -9.241 -9.634 1.00 1.00 N ATOM 1878 CA LYS A 118 -3.874 -10.539 -8.987 1.00 1.20 C ATOM 1879 C LYS A 118 -4.113 -10.328 -7.492 1.00 1.19 C ATOM 1880 O LYS A 118 -5.013 -10.924 -6.897 1.00 1.35 O ATOM 1881 CB LYS A 118 -2.577 -11.316 -9.274 1.00 1.33 C ATOM 1882 CG LYS A 118 -2.590 -12.815 -8.935 1.00 1.49 C ATOM 1883 CD LYS A 118 -2.698 -13.129 -7.431 1.00 2.92 C ATOM 1884 CE LYS A 118 -4.063 -13.723 -7.046 1.00 4.50 C ATOM 1885 NZ LYS A 118 -4.524 -13.246 -5.729 1.00 6.57 N ATOM 0 H LYS A 118 -2.939 -9.123 -10.191 1.00 1.00 H new ATOM 0 HA LYS A 118 -4.708 -11.126 -9.373 1.00 1.20 H new ATOM 0 HB2 LYS A 118 -2.340 -11.207 -10.332 1.00 1.33 H new ATOM 0 HB3 LYS A 118 -1.767 -10.846 -8.716 1.00 1.33 H new ATOM 0 HG2 LYS A 118 -3.427 -13.284 -9.452 1.00 1.49 H new ATOM 0 HG3 LYS A 118 -1.679 -13.270 -9.324 1.00 1.49 H new ATOM 0 HD2 LYS A 118 -1.910 -13.829 -7.153 1.00 2.92 H new ATOM 0 HD3 LYS A 118 -2.530 -12.216 -6.860 1.00 2.92 H new ATOM 0 HE2 LYS A 118 -4.800 -13.459 -7.805 1.00 4.50 H new ATOM 0 HE3 LYS A 118 -3.994 -14.811 -7.033 1.00 4.50 H new ATOM 0 HZ1 LYS A 118 -5.414 -13.723 -5.479 1.00 6.57 H new ATOM 0 HZ2 LYS A 118 -3.803 -13.460 -5.011 1.00 6.57 H new ATOM 0 HZ3 LYS A 118 -4.681 -12.219 -5.767 1.00 6.57 H new ATOM 1899 N SER A 119 -3.272 -9.509 -6.862 1.00 1.05 N ATOM 1900 CA SER A 119 -3.335 -9.282 -5.431 1.00 1.15 C ATOM 1901 C SER A 119 -4.611 -8.543 -5.025 1.00 1.14 C ATOM 1902 O SER A 119 -5.414 -9.080 -4.263 1.00 1.45 O ATOM 1903 CB SER A 119 -2.064 -8.565 -4.960 1.00 1.17 C ATOM 1904 OG SER A 119 -0.932 -9.314 -5.363 1.00 1.97 O ATOM 0 H SER A 119 -2.532 -8.989 -7.333 1.00 1.05 H new ATOM 0 HA SER A 119 -3.381 -10.248 -4.928 1.00 1.15 H new ATOM 0 HB2 SER A 119 -2.020 -7.561 -5.383 1.00 1.17 H new ATOM 0 HB3 SER A 119 -2.075 -8.454 -3.876 1.00 1.17 H new ATOM 0 HG SER A 119 -0.725 -9.116 -6.300 1.00 1.97 H new ATOM 1910 N PHE A 120 -4.779 -7.303 -5.493 1.00 0.92 N ATOM 1911 CA PHE A 120 -5.843 -6.414 -5.043 1.00 1.01 C ATOM 1912 C PHE A 120 -6.951 -6.291 -6.077 1.00 1.07 C ATOM 1913 O PHE A 120 -8.086 -6.614 -5.749 1.00 1.38 O ATOM 1914 CB PHE A 120 -5.277 -5.047 -4.629 1.00 1.01 C ATOM 1915 CG PHE A 120 -4.274 -5.041 -3.483 1.00 1.02 C ATOM 1916 CD1 PHE A 120 -4.104 -6.157 -2.636 1.00 2.05 C ATOM 1917 CD2 PHE A 120 -3.563 -3.858 -3.206 1.00 1.56 C ATOM 1918 CE1 PHE A 120 -3.149 -6.125 -1.608 1.00 2.00 C ATOM 1919 CE2 PHE A 120 -2.637 -3.818 -2.149 1.00 1.64 C ATOM 1920 CZ PHE A 120 -2.402 -4.962 -1.371 1.00 1.07 C ATOM 0 H PHE A 120 -4.173 -6.889 -6.201 1.00 0.92 H new ATOM 0 HA PHE A 120 -6.298 -6.858 -4.158 1.00 1.01 H new ATOM 0 HB2 PHE A 120 -4.801 -4.598 -5.500 1.00 1.01 H new ATOM 0 HB3 PHE A 120 -6.112 -4.402 -4.354 1.00 1.01 H new ATOM 0 HD1 PHE A 120 -4.711 -7.039 -2.779 1.00 2.05 H new ATOM 0 HD2 PHE A 120 -3.730 -2.977 -3.808 1.00 1.56 H new ATOM 0 HE1 PHE A 120 -2.989 -7.001 -0.996 1.00 2.00 H new ATOM 0 HE2 PHE A 120 -2.104 -2.903 -1.935 1.00 1.64 H new ATOM 0 HZ PHE A 120 -1.651 -4.947 -0.595 1.00 1.07 H new ATOM 1930 N LYS A 121 -6.642 -5.873 -7.307 1.00 1.00 N ATOM 1931 CA LYS A 121 -7.404 -4.948 -8.158 1.00 1.23 C ATOM 1932 C LYS A 121 -6.925 -3.489 -8.005 1.00 1.40 C ATOM 1933 O LYS A 121 -7.702 -2.565 -7.782 1.00 1.90 O ATOM 1934 CB LYS A 121 -8.940 -5.172 -8.142 1.00 1.47 C ATOM 1935 CG LYS A 121 -9.833 -4.264 -7.273 1.00 1.66 C ATOM 1936 CD LYS A 121 -9.307 -4.058 -5.854 1.00 1.81 C ATOM 1937 CE LYS A 121 -9.820 -2.802 -5.152 1.00 2.07 C ATOM 1938 NZ LYS A 121 -11.219 -2.878 -4.688 1.00 2.75 N ATOM 0 H LYS A 121 -5.792 -6.194 -7.770 1.00 1.00 H new ATOM 0 HA LYS A 121 -7.163 -5.205 -9.189 1.00 1.23 H new ATOM 0 HB2 LYS A 121 -9.292 -5.088 -9.170 1.00 1.47 H new ATOM 0 HB3 LYS A 121 -9.116 -6.201 -7.827 1.00 1.47 H new ATOM 0 HG2 LYS A 121 -9.930 -3.293 -7.759 1.00 1.66 H new ATOM 0 HG3 LYS A 121 -10.833 -4.696 -7.221 1.00 1.66 H new ATOM 0 HD2 LYS A 121 -9.575 -4.927 -5.253 1.00 1.81 H new ATOM 0 HD3 LYS A 121 -8.218 -4.018 -5.888 1.00 1.81 H new ATOM 0 HE2 LYS A 121 -9.179 -2.595 -4.295 1.00 2.07 H new ATOM 0 HE3 LYS A 121 -9.724 -1.957 -5.834 1.00 2.07 H new ATOM 0 HZ1 LYS A 121 -11.480 -1.984 -4.225 1.00 2.75 H new ATOM 0 HZ2 LYS A 121 -11.846 -3.043 -5.501 1.00 2.75 H new ATOM 0 HZ3 LYS A 121 -11.318 -3.661 -4.010 1.00 2.75 H new ATOM 1952 N ALA A 122 -5.617 -3.269 -8.155 1.00 1.18 N ATOM 1953 CA ALA A 122 -5.023 -1.934 -8.153 1.00 1.40 C ATOM 1954 C ALA A 122 -4.093 -1.779 -9.360 1.00 1.34 C ATOM 1955 O ALA A 122 -3.858 -2.759 -10.062 1.00 2.11 O ATOM 1956 CB ALA A 122 -4.292 -1.715 -6.824 1.00 1.57 C ATOM 0 H ALA A 122 -4.937 -4.019 -8.282 1.00 1.18 H new ATOM 0 HA ALA A 122 -5.796 -1.170 -8.242 1.00 1.40 H new ATOM 0 HB1 ALA A 122 -3.845 -0.721 -6.814 1.00 1.57 H new ATOM 0 HB2 ALA A 122 -5.000 -1.803 -6.000 1.00 1.57 H new ATOM 0 HB3 ALA A 122 -3.509 -2.465 -6.711 1.00 1.57 H new ATOM 1962 N ILE A 123 -3.572 -0.558 -9.561 1.00 1.72 N ATOM 1963 CA ILE A 123 -2.691 -0.134 -10.656 1.00 1.65 C ATOM 1964 C ILE A 123 -3.480 0.128 -11.943 1.00 0.93 C ATOM 1965 O ILE A 123 -4.640 -0.260 -12.046 1.00 1.70 O ATOM 1966 CB ILE A 123 -1.472 -1.072 -10.813 1.00 2.87 C ATOM 1967 CG1 ILE A 123 -0.654 -1.105 -9.511 1.00 4.82 C ATOM 1968 CG2 ILE A 123 -0.559 -0.745 -11.998 1.00 3.78 C ATOM 1969 CD1 ILE A 123 0.060 0.208 -9.168 1.00 6.38 C ATOM 0 H ILE A 123 -3.770 0.209 -8.918 1.00 1.72 H new ATOM 0 HA ILE A 123 -2.256 0.831 -10.395 1.00 1.65 H new ATOM 0 HB ILE A 123 -1.890 -2.055 -11.028 1.00 2.87 H new ATOM 0 HG12 ILE A 123 -1.318 -1.367 -8.687 1.00 4.82 H new ATOM 0 HG13 ILE A 123 0.090 -1.898 -9.586 1.00 4.82 H new ATOM 0 HG21 ILE A 123 0.267 -1.455 -12.027 1.00 3.78 H new ATOM 0 HG22 ILE A 123 -1.128 -0.812 -12.925 1.00 3.78 H new ATOM 0 HG23 ILE A 123 -0.165 0.265 -11.886 1.00 3.78 H new ATOM 0 HD11 ILE A 123 0.611 0.090 -8.235 1.00 6.38 H new ATOM 0 HD12 ILE A 123 0.754 0.465 -9.969 1.00 6.38 H new ATOM 0 HD13 ILE A 123 -0.676 1.004 -9.057 1.00 6.38 H new ATOM 2201 N SER A 138 -5.853 3.571 0.996 1.00 1.22 N ATOM 2202 CA SER A 138 -6.267 2.285 1.533 1.00 1.34 C ATOM 2203 C SER A 138 -5.132 1.588 2.290 1.00 1.05 C ATOM 2204 O SER A 138 -4.100 1.279 1.697 1.00 1.19 O ATOM 2205 CB SER A 138 -6.739 1.388 0.384 1.00 2.02 C ATOM 2206 OG SER A 138 -7.150 2.167 -0.730 1.00 2.73 O ATOM 0 HA SER A 138 -7.078 2.461 2.240 1.00 1.34 H new ATOM 0 HB2 SER A 138 -5.933 0.717 0.086 1.00 2.02 H new ATOM 0 HB3 SER A 138 -7.566 0.763 0.721 1.00 2.02 H new ATOM 0 HG SER A 138 -6.908 3.105 -0.581 1.00 2.73 H new ATOM 2212 N PHE A 139 -5.382 1.243 3.551 1.00 0.81 N ATOM 2213 CA PHE A 139 -4.599 0.266 4.290 1.00 0.68 C ATOM 2214 C PHE A 139 -5.014 -1.129 3.828 1.00 0.65 C ATOM 2215 O PHE A 139 -6.211 -1.388 3.697 1.00 0.65 O ATOM 2216 CB PHE A 139 -4.937 0.323 5.781 1.00 0.80 C ATOM 2217 CG PHE A 139 -4.017 1.180 6.612 1.00 0.70 C ATOM 2218 CD1 PHE A 139 -2.733 0.690 6.909 1.00 1.87 C ATOM 2219 CD2 PHE A 139 -4.399 2.467 7.029 1.00 1.69 C ATOM 2220 CE1 PHE A 139 -1.822 1.491 7.608 1.00 1.89 C ATOM 2221 CE2 PHE A 139 -3.490 3.264 7.745 1.00 1.79 C ATOM 2222 CZ PHE A 139 -2.203 2.772 8.028 1.00 0.95 C ATOM 0 H PHE A 139 -6.148 1.643 4.093 1.00 0.81 H new ATOM 0 HA PHE A 139 -3.543 0.475 4.122 1.00 0.68 H new ATOM 0 HB2 PHE A 139 -5.955 0.695 5.893 1.00 0.80 H new ATOM 0 HB3 PHE A 139 -4.923 -0.691 6.180 1.00 0.80 H new ATOM 0 HD1 PHE A 139 -2.449 -0.305 6.598 1.00 1.87 H new ATOM 0 HD2 PHE A 139 -5.386 2.841 6.800 1.00 1.69 H new ATOM 0 HE1 PHE A 139 -0.830 1.123 7.823 1.00 1.89 H new ATOM 0 HE2 PHE A 139 -3.778 4.251 8.077 1.00 1.79 H new ATOM 0 HZ PHE A 139 -1.503 3.387 8.574 1.00 0.95 H new ATOM 2232 N TYR A 140 -4.036 -2.021 3.671 1.00 0.71 N ATOM 2233 CA TYR A 140 -4.186 -3.462 3.477 1.00 0.76 C ATOM 2234 C TYR A 140 -3.184 -4.168 4.414 1.00 0.84 C ATOM 2235 O TYR A 140 -1.982 -4.120 4.168 1.00 1.26 O ATOM 2236 CB TYR A 140 -3.921 -3.830 2.000 1.00 0.84 C ATOM 2237 CG TYR A 140 -5.087 -3.675 1.026 1.00 0.91 C ATOM 2238 CD1 TYR A 140 -5.600 -2.402 0.718 1.00 1.75 C ATOM 2239 CD2 TYR A 140 -5.562 -4.792 0.309 1.00 2.19 C ATOM 2240 CE1 TYR A 140 -6.638 -2.263 -0.221 1.00 1.98 C ATOM 2241 CE2 TYR A 140 -6.544 -4.640 -0.687 1.00 2.31 C ATOM 2242 CZ TYR A 140 -7.129 -3.386 -0.909 1.00 1.51 C ATOM 2243 OH TYR A 140 -8.055 -3.234 -1.904 1.00 2.03 O ATOM 0 H TYR A 140 -3.056 -1.738 3.676 1.00 0.71 H new ATOM 0 HA TYR A 140 -5.201 -3.781 3.714 1.00 0.76 H new ATOM 0 HB2 TYR A 140 -3.096 -3.215 1.641 1.00 0.84 H new ATOM 0 HB3 TYR A 140 -3.585 -4.866 1.964 1.00 0.84 H new ATOM 0 HD1 TYR A 140 -5.195 -1.527 1.205 1.00 1.75 H new ATOM 0 HD2 TYR A 140 -5.168 -5.774 0.526 1.00 2.19 H new ATOM 0 HE1 TYR A 140 -7.060 -1.288 -0.414 1.00 1.98 H new ATOM 0 HE2 TYR A 140 -6.847 -5.490 -1.281 1.00 2.31 H new ATOM 0 HH TYR A 140 -8.284 -4.112 -2.274 1.00 2.03 H new ATOM 2253 N LEU A 141 -3.635 -4.807 5.500 1.00 0.52 N ATOM 2254 CA LEU A 141 -2.779 -5.553 6.431 1.00 0.47 C ATOM 2255 C LEU A 141 -2.547 -6.957 5.890 1.00 0.42 C ATOM 2256 O LEU A 141 -3.457 -7.794 5.897 1.00 0.42 O ATOM 2257 CB LEU A 141 -3.397 -5.567 7.836 1.00 0.47 C ATOM 2258 CG LEU A 141 -2.614 -6.401 8.879 1.00 0.43 C ATOM 2259 CD1 LEU A 141 -2.711 -5.701 10.241 1.00 0.72 C ATOM 2260 CD2 LEU A 141 -3.201 -7.811 9.040 1.00 0.64 C ATOM 0 H LEU A 141 -4.621 -4.821 5.761 1.00 0.52 H new ATOM 0 HA LEU A 141 -1.810 -5.061 6.517 1.00 0.47 H new ATOM 0 HB2 LEU A 141 -3.473 -4.541 8.195 1.00 0.47 H new ATOM 0 HB3 LEU A 141 -4.413 -5.957 7.768 1.00 0.47 H new ATOM 0 HG LEU A 141 -1.583 -6.484 8.534 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -2.163 -6.278 10.986 1.00 0.72 H new ATOM 0 HD12 LEU A 141 -2.281 -4.702 10.168 1.00 0.72 H new ATOM 0 HD13 LEU A 141 -3.757 -5.625 10.538 1.00 0.72 H new ATOM 0 HD21 LEU A 141 -2.623 -8.363 9.781 1.00 0.64 H new ATOM 0 HD22 LEU A 141 -4.238 -7.738 9.369 1.00 0.64 H new ATOM 0 HD23 LEU A 141 -3.160 -8.334 8.084 1.00 0.64 H new ATOM 2272 N VAL A 142 -1.329 -7.203 5.400 1.00 0.42 N ATOM 2273 CA VAL A 142 -1.001 -8.400 4.661 1.00 0.43 C ATOM 2274 C VAL A 142 -0.561 -9.485 5.636 1.00 0.48 C ATOM 2275 O VAL A 142 0.456 -9.360 6.315 1.00 0.62 O ATOM 2276 CB VAL A 142 0.041 -8.108 3.577 1.00 0.46 C ATOM 2277 CG1 VAL A 142 0.205 -9.366 2.711 1.00 0.50 C ATOM 2278 CG2 VAL A 142 -0.385 -6.925 2.699 1.00 0.55 C ATOM 0 H VAL A 142 -0.543 -6.563 5.513 1.00 0.42 H new ATOM 0 HA VAL A 142 -1.882 -8.765 4.134 1.00 0.43 H new ATOM 0 HB VAL A 142 0.986 -7.844 4.053 1.00 0.46 H new ATOM 0 HG11 VAL A 142 0.944 -9.178 1.932 1.00 0.50 H new ATOM 0 HG12 VAL A 142 0.538 -10.196 3.334 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -0.751 -9.618 2.251 1.00 0.50 H new ATOM 0 HG21 VAL A 142 0.375 -6.743 1.940 1.00 0.55 H new ATOM 0 HG22 VAL A 142 -1.334 -7.155 2.215 1.00 0.55 H new ATOM 0 HG23 VAL A 142 -0.500 -6.035 3.318 1.00 0.55 H new ATOM 2288 N GLY A 143 -1.344 -10.559 5.711 1.00 0.49 N ATOM 2289 CA GLY A 143 -0.975 -11.732 6.477 1.00 0.59 C ATOM 2290 C GLY A 143 0.253 -12.390 5.859 1.00 0.76 C ATOM 2291 O GLY A 143 0.480 -12.277 4.652 1.00 1.16 O ATOM 0 H GLY A 143 -2.247 -10.634 5.242 1.00 0.49 H new ATOM 0 HA2 GLY A 143 -0.767 -11.452 7.510 1.00 0.59 H new ATOM 0 HA3 GLY A 143 -1.805 -12.439 6.499 1.00 0.59 H new ATOM 2295 N PRO A 144 1.030 -13.103 6.682 1.00 0.74 N ATOM 2296 CA PRO A 144 2.368 -13.550 6.362 1.00 1.02 C ATOM 2297 C PRO A 144 2.408 -14.304 5.042 1.00 1.06 C ATOM 2298 O PRO A 144 3.111 -13.892 4.126 1.00 1.70 O ATOM 2299 CB PRO A 144 2.815 -14.369 7.577 1.00 1.24 C ATOM 2300 CG PRO A 144 1.521 -14.767 8.282 1.00 1.09 C ATOM 2301 CD PRO A 144 0.641 -13.553 8.003 1.00 0.87 C ATOM 0 HA PRO A 144 3.061 -12.726 6.195 1.00 1.02 H new ATOM 0 HB2 PRO A 144 3.385 -15.247 7.273 1.00 1.24 H new ATOM 0 HB3 PRO A 144 3.458 -13.783 8.233 1.00 1.24 H new ATOM 0 HG2 PRO A 144 1.097 -15.684 7.874 1.00 1.09 H new ATOM 0 HG3 PRO A 144 1.668 -14.931 9.349 1.00 1.09 H new ATOM 0 HD2 PRO A 144 -0.416 -13.816 8.035 1.00 0.87 H new ATOM 0 HD3 PRO A 144 0.798 -12.773 8.748 1.00 0.87 H new ATOM 2309 N ASP A 145 1.629 -15.379 4.919 1.00 0.85 N ATOM 2310 CA ASP A 145 1.634 -16.227 3.734 1.00 0.88 C ATOM 2311 C ASP A 145 1.291 -15.473 2.443 1.00 0.90 C ATOM 2312 O ASP A 145 1.604 -15.964 1.362 1.00 1.39 O ATOM 2313 CB ASP A 145 0.716 -17.432 3.952 1.00 1.31 C ATOM 2314 CG ASP A 145 1.025 -18.136 5.267 1.00 2.16 C ATOM 2315 OD1 ASP A 145 2.014 -18.907 5.295 1.00 3.41 O ATOM 2316 OD2 ASP A 145 0.292 -17.827 6.235 1.00 2.67 O ATOM 0 H ASP A 145 0.977 -15.684 5.641 1.00 0.85 H new ATOM 0 HA ASP A 145 2.655 -16.580 3.593 1.00 0.88 H new ATOM 0 HB2 ASP A 145 -0.324 -17.105 3.949 1.00 1.31 H new ATOM 0 HB3 ASP A 145 0.832 -18.134 3.126 1.00 1.31 H new ATOM 2321 N GLY A 146 0.673 -14.292 2.550 1.00 0.88 N ATOM 2322 CA GLY A 146 0.289 -13.471 1.414 1.00 0.98 C ATOM 2323 C GLY A 146 -1.136 -12.953 1.582 1.00 0.70 C ATOM 2324 O GLY A 146 -1.501 -11.952 0.974 1.00 0.82 O ATOM 0 H GLY A 146 0.424 -13.879 3.449 1.00 0.88 H new ATOM 0 HA2 GLY A 146 0.977 -12.632 1.316 1.00 0.98 H new ATOM 0 HA3 GLY A 146 0.364 -14.054 0.496 1.00 0.98 H new ATOM 2328 N LYS A 147 -1.950 -13.626 2.399 1.00 0.78 N ATOM 2329 CA LYS A 147 -3.368 -13.327 2.535 1.00 0.73 C ATOM 2330 C LYS A 147 -3.625 -12.066 3.353 1.00 0.58 C ATOM 2331 O LYS A 147 -3.325 -12.028 4.542 1.00 0.60 O ATOM 2332 CB LYS A 147 -4.141 -14.544 3.040 1.00 0.82 C ATOM 2333 CG LYS A 147 -3.618 -15.076 4.377 1.00 0.78 C ATOM 2334 CD LYS A 147 -3.354 -16.587 4.274 1.00 1.20 C ATOM 2335 CE LYS A 147 -2.577 -17.148 5.471 1.00 1.91 C ATOM 2336 NZ LYS A 147 -3.398 -17.307 6.683 1.00 2.26 N ATOM 0 H LYS A 147 -1.636 -14.398 2.987 1.00 0.78 H new ATOM 0 HA LYS A 147 -3.753 -13.102 1.541 1.00 0.73 H new ATOM 0 HB2 LYS A 147 -5.193 -14.280 3.148 1.00 0.82 H new ATOM 0 HB3 LYS A 147 -4.086 -15.337 2.294 1.00 0.82 H new ATOM 0 HG2 LYS A 147 -2.700 -14.556 4.651 1.00 0.78 H new ATOM 0 HG3 LYS A 147 -4.344 -14.878 5.166 1.00 0.78 H new ATOM 0 HD2 LYS A 147 -4.306 -17.111 4.190 1.00 1.20 H new ATOM 0 HD3 LYS A 147 -2.796 -16.790 3.360 1.00 1.20 H new ATOM 0 HE2 LYS A 147 -2.155 -18.115 5.199 1.00 1.91 H new ATOM 0 HE3 LYS A 147 -1.740 -16.486 5.693 1.00 1.91 H new ATOM 0 HZ1 LYS A 147 -2.811 -17.690 7.452 1.00 2.26 H new ATOM 0 HZ2 LYS A 147 -3.781 -16.383 6.967 1.00 2.26 H new ATOM 0 HZ3 LYS A 147 -4.182 -17.961 6.488 1.00 2.26 H new ATOM 2350 N VAL A 148 -4.234 -11.045 2.742 1.00 0.51 N ATOM 2351 CA VAL A 148 -4.589 -9.836 3.467 1.00 0.47 C ATOM 2352 C VAL A 148 -5.790 -10.153 4.349 1.00 0.45 C ATOM 2353 O VAL A 148 -6.707 -10.847 3.907 1.00 0.50 O ATOM 2354 CB VAL A 148 -4.871 -8.659 2.520 1.00 0.54 C ATOM 2355 CG1 VAL A 148 -4.892 -7.334 3.282 1.00 0.85 C ATOM 2356 CG2 VAL A 148 -3.802 -8.538 1.430 1.00 1.14 C ATOM 0 H VAL A 148 -4.487 -11.037 1.754 1.00 0.51 H new ATOM 0 HA VAL A 148 -3.749 -9.520 4.086 1.00 0.47 H new ATOM 0 HB VAL A 148 -5.843 -8.860 2.069 1.00 0.54 H new ATOM 0 HG11 VAL A 148 -5.094 -6.518 2.588 1.00 0.85 H new ATOM 0 HG12 VAL A 148 -5.672 -7.364 4.043 1.00 0.85 H new ATOM 0 HG13 VAL A 148 -3.925 -7.174 3.760 1.00 0.85 H new ATOM 0 HG21 VAL A 148 -4.038 -7.694 0.781 1.00 1.14 H new ATOM 0 HG22 VAL A 148 -2.828 -8.379 1.892 1.00 1.14 H new ATOM 0 HG23 VAL A 148 -3.779 -9.454 0.840 1.00 1.14 H new ATOM 2366 N LEU A 149 -5.713 -9.715 5.611 1.00 0.45 N ATOM 2367 CA LEU A 149 -6.601 -10.144 6.687 1.00 0.47 C ATOM 2368 C LEU A 149 -7.513 -9.026 7.165 1.00 0.46 C ATOM 2369 O LEU A 149 -8.590 -9.311 7.688 1.00 0.53 O ATOM 2370 CB LEU A 149 -5.771 -10.657 7.861 1.00 0.55 C ATOM 2371 CG LEU A 149 -5.188 -12.039 7.552 1.00 0.62 C ATOM 2372 CD1 LEU A 149 -3.878 -12.178 8.325 1.00 1.13 C ATOM 2373 CD2 LEU A 149 -6.163 -13.144 7.970 1.00 0.81 C ATOM 0 H LEU A 149 -5.014 -9.037 5.915 1.00 0.45 H new ATOM 0 HA LEU A 149 -7.233 -10.938 6.290 1.00 0.47 H new ATOM 0 HB2 LEU A 149 -4.964 -9.956 8.075 1.00 0.55 H new ATOM 0 HB3 LEU A 149 -6.392 -10.711 8.755 1.00 0.55 H new ATOM 0 HG LEU A 149 -5.014 -12.137 6.481 1.00 0.62 H new ATOM 0 HD11 LEU A 149 -3.439 -13.155 8.124 1.00 1.13 H new ATOM 0 HD12 LEU A 149 -3.185 -11.397 8.011 1.00 1.13 H new ATOM 0 HD13 LEU A 149 -4.074 -12.081 9.393 1.00 1.13 H new ATOM 0 HD21 LEU A 149 -5.729 -14.118 7.742 1.00 0.81 H new ATOM 0 HD22 LEU A 149 -6.355 -13.074 9.041 1.00 0.81 H new ATOM 0 HD23 LEU A 149 -7.100 -13.028 7.425 1.00 0.81 H new ATOM 2385 N LYS A 150 -7.075 -7.773 7.026 1.00 0.45 N ATOM 2386 CA LYS A 150 -7.909 -6.606 7.228 1.00 0.51 C ATOM 2387 C LYS A 150 -7.507 -5.495 6.258 1.00 0.54 C ATOM 2388 O LYS A 150 -6.321 -5.379 5.950 1.00 0.55 O ATOM 2389 CB LYS A 150 -7.774 -6.117 8.667 1.00 0.66 C ATOM 2390 CG LYS A 150 -8.672 -6.896 9.638 1.00 0.80 C ATOM 2391 CD LYS A 150 -8.876 -6.134 10.954 1.00 1.30 C ATOM 2392 CE LYS A 150 -7.567 -5.694 11.621 1.00 2.76 C ATOM 2393 NZ LYS A 150 -6.614 -6.811 11.754 1.00 4.20 N ATOM 0 H LYS A 150 -6.115 -7.547 6.766 1.00 0.45 H new ATOM 0 HA LYS A 150 -8.948 -6.877 7.039 1.00 0.51 H new ATOM 0 HB2 LYS A 150 -6.735 -6.210 8.983 1.00 0.66 H new ATOM 0 HB3 LYS A 150 -8.027 -5.058 8.713 1.00 0.66 H new ATOM 0 HG2 LYS A 150 -9.639 -7.082 9.171 1.00 0.80 H new ATOM 0 HG3 LYS A 150 -8.226 -7.869 9.846 1.00 0.80 H new ATOM 0 HD2 LYS A 150 -9.490 -5.254 10.762 1.00 1.30 H new ATOM 0 HD3 LYS A 150 -9.432 -6.766 11.647 1.00 1.30 H new ATOM 0 HE2 LYS A 150 -7.111 -4.896 11.035 1.00 2.76 H new ATOM 0 HE3 LYS A 150 -7.783 -5.282 12.607 1.00 2.76 H new ATOM 0 HZ1 LYS A 150 -6.029 -6.669 12.602 1.00 4.20 H new ATOM 0 HZ2 LYS A 150 -7.137 -7.705 11.841 1.00 4.20 H new ATOM 0 HZ3 LYS A 150 -6.003 -6.848 10.913 1.00 4.20 H new ATOM 2407 N ASP A 151 -8.478 -4.676 5.845 1.00 0.66 N ATOM 2408 CA ASP A 151 -8.335 -3.513 4.976 1.00 0.77 C ATOM 2409 C ASP A 151 -9.019 -2.344 5.692 1.00 1.03 C ATOM 2410 O ASP A 151 -10.007 -2.535 6.400 1.00 1.59 O ATOM 2411 CB ASP A 151 -8.995 -3.746 3.608 1.00 0.93 C ATOM 2412 CG ASP A 151 -8.278 -4.696 2.662 1.00 1.34 C ATOM 2413 OD1 ASP A 151 -7.291 -5.331 3.087 1.00 2.26 O ATOM 2414 OD2 ASP A 151 -8.747 -4.777 1.507 1.00 2.12 O ATOM 0 H ASP A 151 -9.447 -4.820 6.129 1.00 0.66 H new ATOM 0 HA ASP A 151 -7.280 -3.312 4.789 1.00 0.77 H new ATOM 0 HB2 ASP A 151 -10.002 -4.127 3.776 1.00 0.93 H new ATOM 0 HB3 ASP A 151 -9.098 -2.782 3.110 1.00 0.93 H new ATOM 2419 N TYR A 152 -8.503 -1.128 5.532 1.00 0.87 N ATOM 2420 CA TYR A 152 -8.921 0.029 6.316 1.00 0.87 C ATOM 2421 C TYR A 152 -8.724 1.286 5.472 1.00 0.88 C ATOM 2422 O TYR A 152 -7.943 1.262 4.526 1.00 0.96 O ATOM 2423 CB TYR A 152 -8.185 0.088 7.664 1.00 1.05 C ATOM 2424 CG TYR A 152 -9.131 0.355 8.817 1.00 1.45 C ATOM 2425 CD1 TYR A 152 -9.419 1.678 9.199 1.00 2.94 C ATOM 2426 CD2 TYR A 152 -9.898 -0.704 9.336 1.00 2.39 C ATOM 2427 CE1 TYR A 152 -10.517 1.944 10.034 1.00 4.23 C ATOM 2428 CE2 TYR A 152 -10.970 -0.439 10.204 1.00 3.64 C ATOM 2429 CZ TYR A 152 -11.306 0.887 10.522 1.00 4.36 C ATOM 2430 OH TYR A 152 -12.447 1.140 11.217 1.00 5.91 O ATOM 0 H TYR A 152 -7.776 -0.917 4.848 1.00 0.87 H new ATOM 0 HA TYR A 152 -9.978 -0.052 6.568 1.00 0.87 H new ATOM 0 HB2 TYR A 152 -7.664 -0.854 7.834 1.00 1.05 H new ATOM 0 HB3 TYR A 152 -7.427 0.870 7.629 1.00 1.05 H new ATOM 0 HD1 TYR A 152 -8.796 2.489 8.851 1.00 2.94 H new ATOM 0 HD2 TYR A 152 -9.662 -1.723 9.066 1.00 2.39 H new ATOM 0 HE1 TYR A 152 -10.756 2.963 10.302 1.00 4.23 H new ATOM 0 HE2 TYR A 152 -11.536 -1.256 10.627 1.00 3.64 H new ATOM 0 HH TYR A 152 -12.866 0.293 11.477 1.00 5.91 H new ATOM 2440 N ASN A 153 -9.435 2.373 5.782 1.00 0.90 N ATOM 2441 CA ASN A 153 -9.515 3.527 4.888 1.00 1.00 C ATOM 2442 C ASN A 153 -8.915 4.801 5.484 1.00 1.29 C ATOM 2443 O ASN A 153 -8.706 5.778 4.770 1.00 2.52 O ATOM 2444 CB ASN A 153 -10.981 3.696 4.493 1.00 1.02 C ATOM 2445 CG ASN A 153 -11.199 4.805 3.469 1.00 1.45 C ATOM 2446 OD1 ASN A 153 -10.520 4.875 2.450 1.00 2.25 O ATOM 2447 ND2 ASN A 153 -12.154 5.694 3.726 1.00 1.64 N ATOM 0 H ASN A 153 -9.964 2.476 6.648 1.00 0.90 H new ATOM 0 HA ASN A 153 -8.905 3.343 4.004 1.00 1.00 H new ATOM 0 HB2 ASN A 153 -11.353 2.755 4.086 1.00 1.02 H new ATOM 0 HB3 ASN A 153 -11.569 3.912 5.385 1.00 1.02 H new ATOM 0 HD21 ASN A 153 -12.334 6.453 3.069 1.00 1.64 H new ATOM 0 HD22 ASN A 153 -12.707 5.616 4.580 1.00 1.64 H new ATOM 2520 N PRO A 159 -14.192 1.573 5.665 1.00 1.10 N ATOM 2521 CA PRO A 159 -12.905 0.977 6.013 1.00 0.98 C ATOM 2522 C PRO A 159 -12.356 0.063 4.923 1.00 0.95 C ATOM 2523 O PRO A 159 -11.195 0.196 4.572 1.00 1.15 O ATOM 2524 CB PRO A 159 -13.096 0.248 7.346 1.00 1.13 C ATOM 2525 CG PRO A 159 -14.606 0.046 7.436 1.00 1.07 C ATOM 2526 CD PRO A 159 -15.144 1.280 6.716 1.00 1.09 C ATOM 0 HA PRO A 159 -12.150 1.757 6.110 1.00 0.98 H new ATOM 0 HB2 PRO A 159 -12.563 -0.703 7.362 1.00 1.13 H new ATOM 0 HB3 PRO A 159 -12.721 0.838 8.182 1.00 1.13 H new ATOM 0 HG2 PRO A 159 -14.922 -0.878 6.951 1.00 1.07 H new ATOM 0 HG3 PRO A 159 -14.949 -0.003 8.470 1.00 1.07 H new ATOM 0 HD2 PRO A 159 -16.135 1.090 6.304 1.00 1.09 H new ATOM 0 HD3 PRO A 159 -15.240 2.122 7.402 1.00 1.09 H new ATOM 2534 N TYR A 160 -13.218 -0.766 4.331 1.00 0.96 N ATOM 2535 CA TYR A 160 -13.004 -1.917 3.468 1.00 1.23 C ATOM 2536 C TYR A 160 -13.012 -3.240 4.213 1.00 1.50 C ATOM 2537 O TYR A 160 -13.433 -4.192 3.579 1.00 1.63 O ATOM 2538 CB TYR A 160 -11.649 -1.908 2.765 1.00 1.78 C ATOM 2539 CG TYR A 160 -11.355 -0.922 1.659 1.00 1.97 C ATOM 2540 CD1 TYR A 160 -11.967 0.343 1.578 1.00 2.52 C ATOM 2541 CD2 TYR A 160 -10.320 -1.251 0.769 1.00 2.92 C ATOM 2542 CE1 TYR A 160 -11.466 1.310 0.691 1.00 3.07 C ATOM 2543 CE2 TYR A 160 -9.868 -0.308 -0.157 1.00 3.24 C ATOM 2544 CZ TYR A 160 -10.414 0.984 -0.179 1.00 2.99 C ATOM 2545 OH TYR A 160 -9.868 1.942 -0.975 1.00 3.78 O ATOM 0 H TYR A 160 -14.218 -0.619 4.469 1.00 0.96 H new ATOM 0 HA TYR A 160 -13.833 -1.834 2.765 1.00 1.23 H new ATOM 0 HB2 TYR A 160 -10.891 -1.761 3.534 1.00 1.78 H new ATOM 0 HB3 TYR A 160 -11.496 -2.905 2.353 1.00 1.78 H new ATOM 0 HD1 TYR A 160 -12.822 0.570 2.198 1.00 2.52 H new ATOM 0 HD2 TYR A 160 -9.873 -2.234 0.800 1.00 2.92 H new ATOM 0 HE1 TYR A 160 -11.890 2.303 0.678 1.00 3.07 H new ATOM 0 HE2 TYR A 160 -9.093 -0.575 -0.860 1.00 3.24 H new ATOM 0 HH TYR A 160 -8.911 2.024 -0.779 1.00 3.78 H new ATOM 2555 N ASP A 161 -12.758 -3.344 5.522 1.00 1.71 N ATOM 2556 CA ASP A 161 -12.815 -4.658 6.168 1.00 2.09 C ATOM 2557 C ASP A 161 -14.144 -5.331 5.859 1.00 1.81 C ATOM 2558 O ASP A 161 -14.202 -6.472 5.410 1.00 1.88 O ATOM 2559 CB ASP A 161 -12.712 -4.522 7.694 1.00 2.67 C ATOM 2560 CG ASP A 161 -11.299 -4.513 8.247 1.00 3.22 C ATOM 2561 OD1 ASP A 161 -10.442 -5.155 7.608 1.00 3.47 O ATOM 2562 OD2 ASP A 161 -11.107 -3.933 9.337 1.00 4.13 O ATOM 0 H ASP A 161 -12.519 -2.565 6.136 1.00 1.71 H new ATOM 0 HA ASP A 161 -11.981 -5.248 5.788 1.00 2.09 H new ATOM 0 HB2 ASP A 161 -13.209 -3.600 7.995 1.00 2.67 H new ATOM 0 HB3 ASP A 161 -13.260 -5.344 8.154 1.00 2.67 H new ATOM 2567 N ASP A 162 -15.202 -4.553 6.060 1.00 1.60 N ATOM 2568 CA ASP A 162 -16.579 -4.941 5.852 1.00 1.62 C ATOM 2569 C ASP A 162 -16.773 -5.260 4.368 1.00 1.20 C ATOM 2570 O ASP A 162 -16.879 -6.414 3.971 1.00 1.25 O ATOM 2571 CB ASP A 162 -17.474 -3.794 6.343 1.00 1.77 C ATOM 2572 CG ASP A 162 -18.865 -3.856 5.735 1.00 2.34 C ATOM 2573 OD1 ASP A 162 -19.592 -4.813 6.065 1.00 3.50 O ATOM 2574 OD2 ASP A 162 -19.149 -2.950 4.925 1.00 2.79 O ATOM 0 H ASP A 162 -15.111 -3.591 6.388 1.00 1.60 H new ATOM 0 HA ASP A 162 -16.848 -5.836 6.413 1.00 1.62 H new ATOM 0 HB2 ASP A 162 -17.551 -3.834 7.430 1.00 1.77 H new ATOM 0 HB3 ASP A 162 -17.011 -2.840 6.092 1.00 1.77 H new ATOM 2579 N ILE A 163 -16.757 -4.206 3.558 1.00 0.94 N ATOM 2580 CA ILE A 163 -16.933 -4.219 2.112 1.00 0.88 C ATOM 2581 C ILE A 163 -16.134 -5.355 1.453 1.00 0.83 C ATOM 2582 O ILE A 163 -16.702 -6.254 0.834 1.00 0.93 O ATOM 2583 CB ILE A 163 -16.536 -2.850 1.534 1.00 0.98 C ATOM 2584 CG1 ILE A 163 -17.187 -1.688 2.306 1.00 1.10 C ATOM 2585 CG2 ILE A 163 -16.927 -2.768 0.051 1.00 1.34 C ATOM 2586 CD1 ILE A 163 -16.202 -1.009 3.272 1.00 1.01 C ATOM 0 H ILE A 163 -16.612 -3.262 3.917 1.00 0.94 H new ATOM 0 HA ILE A 163 -17.984 -4.406 1.892 1.00 0.88 H new ATOM 0 HB ILE A 163 -15.455 -2.755 1.636 1.00 0.98 H new ATOM 0 HG12 ILE A 163 -17.566 -0.951 1.598 1.00 1.10 H new ATOM 0 HG13 ILE A 163 -18.044 -2.061 2.867 1.00 1.10 H new ATOM 0 HG21 ILE A 163 -16.641 -1.795 -0.347 1.00 1.34 H new ATOM 0 HG22 ILE A 163 -16.413 -3.553 -0.505 1.00 1.34 H new ATOM 0 HG23 ILE A 163 -18.005 -2.899 -0.049 1.00 1.34 H new ATOM 0 HD11 ILE A 163 -16.706 -0.196 3.794 1.00 1.01 H new ATOM 0 HD12 ILE A 163 -15.843 -1.739 3.998 1.00 1.01 H new ATOM 0 HD13 ILE A 163 -15.357 -0.611 2.710 1.00 1.01 H new ATOM 2598 N ILE A 164 -14.804 -5.313 1.559 1.00 0.91 N ATOM 2599 CA ILE A 164 -13.918 -6.304 0.996 1.00 1.13 C ATOM 2600 C ILE A 164 -14.244 -7.683 1.572 1.00 1.13 C ATOM 2601 O ILE A 164 -14.388 -8.610 0.780 1.00 1.15 O ATOM 2602 CB ILE A 164 -12.452 -5.855 1.149 1.00 1.49 C ATOM 2603 CG1 ILE A 164 -12.078 -4.823 0.071 1.00 1.73 C ATOM 2604 CG2 ILE A 164 -11.477 -7.027 1.033 1.00 1.80 C ATOM 2605 CD1 ILE A 164 -13.050 -3.663 -0.159 1.00 1.62 C ATOM 0 H ILE A 164 -14.313 -4.567 2.052 1.00 0.91 H new ATOM 0 HA ILE A 164 -14.073 -6.399 -0.079 1.00 1.13 H new ATOM 0 HB ILE A 164 -12.372 -5.416 2.143 1.00 1.49 H new ATOM 0 HG12 ILE A 164 -11.106 -4.402 0.330 1.00 1.73 H new ATOM 0 HG13 ILE A 164 -11.955 -5.352 -0.874 1.00 1.73 H new ATOM 0 HG21 ILE A 164 -10.456 -6.663 1.147 1.00 1.80 H new ATOM 0 HG22 ILE A 164 -11.691 -7.757 1.813 1.00 1.80 H new ATOM 0 HG23 ILE A 164 -11.588 -7.497 0.056 1.00 1.80 H new ATOM 0 HD11 ILE A 164 -12.663 -3.014 -0.944 1.00 1.62 H new ATOM 0 HD12 ILE A 164 -14.021 -4.056 -0.459 1.00 1.62 H new ATOM 0 HD13 ILE A 164 -13.159 -3.092 0.763 1.00 1.62 H new ATOM 2617 N SER A 165 -14.410 -7.853 2.893 1.00 1.25 N ATOM 2618 CA SER A 165 -14.849 -9.143 3.425 1.00 1.45 C ATOM 2619 C SER A 165 -16.093 -9.621 2.685 1.00 1.25 C ATOM 2620 O SER A 165 -16.133 -10.790 2.295 1.00 1.35 O ATOM 2621 CB SER A 165 -15.159 -9.087 4.930 1.00 1.87 C ATOM 2622 OG SER A 165 -15.721 -10.306 5.390 1.00 2.69 O ATOM 0 H SER A 165 -14.250 -7.130 3.594 1.00 1.25 H new ATOM 0 HA SER A 165 -14.023 -9.839 3.276 1.00 1.45 H new ATOM 0 HB2 SER A 165 -14.244 -8.875 5.483 1.00 1.87 H new ATOM 0 HB3 SER A 165 -15.850 -8.268 5.130 1.00 1.87 H new ATOM 0 HG SER A 165 -15.009 -10.968 5.515 1.00 2.69 H new ATOM 2628 N ASP A 166 -17.091 -8.752 2.505 1.00 1.13 N ATOM 2629 CA ASP A 166 -18.348 -9.154 1.886 1.00 1.26 C ATOM 2630 C ASP A 166 -18.115 -9.601 0.445 1.00 1.16 C ATOM 2631 O ASP A 166 -18.411 -10.739 0.078 1.00 1.29 O ATOM 2632 CB ASP A 166 -19.381 -8.030 1.945 1.00 1.40 C ATOM 2633 CG ASP A 166 -20.661 -8.505 1.273 1.00 1.72 C ATOM 2634 OD1 ASP A 166 -21.387 -9.283 1.927 1.00 2.77 O ATOM 2635 OD2 ASP A 166 -20.855 -8.130 0.098 1.00 2.09 O ATOM 0 H ASP A 166 -17.050 -7.770 2.779 1.00 1.13 H new ATOM 0 HA ASP A 166 -18.746 -9.998 2.450 1.00 1.26 H new ATOM 0 HB2 ASP A 166 -19.579 -7.753 2.981 1.00 1.40 H new ATOM 0 HB3 ASP A 166 -19.000 -7.140 1.444 1.00 1.40 H new ATOM 2640 N VAL A 167 -17.530 -8.731 -0.376 1.00 1.05 N ATOM 2641 CA VAL A 167 -17.316 -9.028 -1.781 1.00 1.19 C ATOM 2642 C VAL A 167 -16.443 -10.282 -1.932 1.00 1.10 C ATOM 2643 O VAL A 167 -16.704 -11.132 -2.782 1.00 1.27 O ATOM 2644 CB VAL A 167 -16.744 -7.788 -2.491 1.00 1.33 C ATOM 2645 CG1 VAL A 167 -16.507 -8.072 -3.977 1.00 1.65 C ATOM 2646 CG2 VAL A 167 -17.726 -6.610 -2.403 1.00 1.52 C ATOM 0 H VAL A 167 -17.196 -7.812 -0.086 1.00 1.05 H new ATOM 0 HA VAL A 167 -18.263 -9.259 -2.268 1.00 1.19 H new ATOM 0 HB VAL A 167 -15.805 -7.542 -1.995 1.00 1.33 H new ATOM 0 HG11 VAL A 167 -16.103 -7.181 -4.458 1.00 1.65 H new ATOM 0 HG12 VAL A 167 -15.799 -8.894 -4.082 1.00 1.65 H new ATOM 0 HG13 VAL A 167 -17.451 -8.343 -4.451 1.00 1.65 H new ATOM 0 HG21 VAL A 167 -17.302 -5.744 -2.911 1.00 1.52 H new ATOM 0 HG22 VAL A 167 -18.667 -6.885 -2.879 1.00 1.52 H new ATOM 0 HG23 VAL A 167 -17.906 -6.364 -1.357 1.00 1.52 H new ATOM 2656 N LYS A 168 -15.404 -10.429 -1.103 1.00 1.00 N ATOM 2657 CA LYS A 168 -14.545 -11.603 -1.139 1.00 1.11 C ATOM 2658 C LYS A 168 -15.275 -12.859 -0.651 1.00 1.18 C ATOM 2659 O LYS A 168 -15.062 -13.934 -1.214 1.00 1.29 O ATOM 2660 CB LYS A 168 -13.231 -11.339 -0.392 1.00 1.26 C ATOM 2661 CG LYS A 168 -12.119 -10.696 -1.246 1.00 1.67 C ATOM 2662 CD LYS A 168 -12.493 -9.365 -1.927 1.00 2.23 C ATOM 2663 CE LYS A 168 -13.008 -9.429 -3.374 1.00 2.59 C ATOM 2664 NZ LYS A 168 -11.972 -9.840 -4.343 1.00 3.38 N ATOM 0 H LYS A 168 -15.142 -9.741 -0.397 1.00 1.00 H new ATOM 0 HA LYS A 168 -14.282 -11.802 -2.178 1.00 1.11 H new ATOM 0 HB2 LYS A 168 -13.437 -10.690 0.459 1.00 1.26 H new ATOM 0 HB3 LYS A 168 -12.862 -12.283 0.009 1.00 1.26 H new ATOM 0 HG2 LYS A 168 -11.249 -10.528 -0.612 1.00 1.67 H new ATOM 0 HG3 LYS A 168 -11.819 -11.407 -2.016 1.00 1.67 H new ATOM 0 HD2 LYS A 168 -13.256 -8.879 -1.319 1.00 2.23 H new ATOM 0 HD3 LYS A 168 -11.614 -8.720 -1.911 1.00 2.23 H new ATOM 0 HE2 LYS A 168 -13.842 -10.129 -3.425 1.00 2.59 H new ATOM 0 HE3 LYS A 168 -13.395 -8.451 -3.659 1.00 2.59 H new ATOM 0 HZ1 LYS A 168 -12.239 -9.518 -5.295 1.00 3.38 H new ATOM 0 HZ2 LYS A 168 -11.060 -9.416 -4.077 1.00 3.38 H new ATOM 0 HZ3 LYS A 168 -11.886 -10.876 -4.340 1.00 3.38 H new ATOM 2678 N SER A 169 -16.153 -12.734 0.352 1.00 1.27 N ATOM 2679 CA SER A 169 -17.105 -13.786 0.691 1.00 1.54 C ATOM 2680 C SER A 169 -17.906 -14.178 -0.550 1.00 1.54 C ATOM 2681 O SER A 169 -17.978 -15.354 -0.889 1.00 1.73 O ATOM 2682 CB SER A 169 -18.031 -13.396 1.842 1.00 1.86 C ATOM 2683 OG SER A 169 -17.536 -13.744 3.127 1.00 2.51 O ATOM 0 H SER A 169 -16.219 -11.906 0.944 1.00 1.27 H new ATOM 0 HA SER A 169 -16.534 -14.647 1.039 1.00 1.54 H new ATOM 0 HB2 SER A 169 -18.201 -12.320 1.809 1.00 1.86 H new ATOM 0 HB3 SER A 169 -18.998 -13.876 1.695 1.00 1.86 H new ATOM 0 HG SER A 169 -18.178 -13.463 3.812 1.00 2.51 H new ATOM 2689 N ALA A 170 -18.499 -13.195 -1.229 1.00 1.51 N ATOM 2690 CA ALA A 170 -19.443 -13.436 -2.309 1.00 1.80 C ATOM 2691 C ALA A 170 -18.737 -14.160 -3.448 1.00 1.75 C ATOM 2692 O ALA A 170 -19.217 -15.175 -3.944 1.00 2.04 O ATOM 2693 CB ALA A 170 -20.059 -12.113 -2.775 1.00 1.93 C ATOM 0 H ALA A 170 -18.334 -12.206 -1.040 1.00 1.51 H new ATOM 0 HA ALA A 170 -20.256 -14.070 -1.955 1.00 1.80 H new ATOM 0 HB1 ALA A 170 -20.764 -12.305 -3.584 1.00 1.93 H new ATOM 0 HB2 ALA A 170 -20.581 -11.642 -1.942 1.00 1.93 H new ATOM 0 HB3 ALA A 170 -19.270 -11.450 -3.131 1.00 1.93 H new ATOM 2699 N SER A 171 -17.577 -13.636 -3.843 1.00 1.51 N ATOM 2700 CA SER A 171 -16.729 -14.248 -4.846 1.00 1.61 C ATOM 2701 C SER A 171 -15.999 -15.509 -4.386 1.00 1.60 C ATOM 2702 O SER A 171 -15.374 -16.170 -5.216 1.00 2.11 O ATOM 2703 CB SER A 171 -15.871 -13.190 -5.541 1.00 1.63 C ATOM 2704 OG SER A 171 -16.712 -12.209 -6.116 1.00 2.26 O ATOM 0 H SER A 171 -17.202 -12.765 -3.467 1.00 1.51 H new ATOM 0 HA SER A 171 -17.378 -14.662 -5.617 1.00 1.61 H new ATOM 0 HB2 SER A 171 -15.192 -12.728 -4.824 1.00 1.63 H new ATOM 0 HB3 SER A 171 -15.255 -13.654 -6.311 1.00 1.63 H new ATOM 0 HG SER A 171 -16.164 -11.529 -6.561 1.00 2.26 H new ATOM 2710 N THR A 172 -16.067 -15.865 -3.099 1.00 1.64 N ATOM 2711 CA THR A 172 -15.554 -17.122 -2.574 1.00 1.85 C ATOM 2712 C THR A 172 -14.097 -17.333 -2.993 1.00 1.31 C ATOM 2713 O THR A 172 -13.699 -18.417 -3.413 1.00 1.59 O ATOM 2714 CB THR A 172 -16.478 -18.288 -2.964 1.00 3.13 C ATOM 2715 OG1 THR A 172 -16.679 -18.390 -4.361 1.00 3.20 O ATOM 2716 CG2 THR A 172 -17.854 -18.172 -2.303 1.00 5.21 C ATOM 0 H THR A 172 -16.489 -15.272 -2.384 1.00 1.64 H new ATOM 0 HA THR A 172 -15.552 -17.082 -1.485 1.00 1.85 H new ATOM 0 HB THR A 172 -15.962 -19.181 -2.610 1.00 3.13 H new ATOM 0 HG1 THR A 172 -15.818 -18.309 -4.822 1.00 3.20 H new ATOM 0 HG21 THR A 172 -18.475 -19.015 -2.605 1.00 5.21 H new ATOM 0 HG22 THR A 172 -17.739 -18.176 -1.219 1.00 5.21 H new ATOM 0 HG23 THR A 172 -18.330 -17.242 -2.613 1.00 5.21 H new