USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=36 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 168 LYS NZ :NH3+ 155:sc= -0.0142 (180deg=-2.53!) USER MOD Set 1.2: A 171 SER OG : rot 56:sc= 1.35 USER MOD Set 2.1: A 138 SER OG : rot -17:sc= 1.59 USER MOD Set 2.2: A 140 TYR OH : rot -29:sc= 1.24 USER MOD Set 3.1: A 86 GLN : amide:sc= 0.226 K(o=1.3,f=-10!) USER MOD Set 3.2: A 89 LYS NZ :NH3+ -170:sc= 1.1 (180deg=-0.452) USER MOD Set 4.1: A 64 LYS NZ :NH3+ -143:sc= 1.23 (180deg=0.976) USER MOD Set 4.2: A 67 ASN : amide:sc=-0.00519 X(o=1.2,f=0.92) USER MOD Set 5.1: A 60 GLN : amide:sc= 0.00177 K(o=0.94,f=-5.6!) USER MOD Set 5.2: A 100 ASN : amide:sc= 0.941 K(o=0.94,f=-9.7!) USER MOD Set 6.1: A 53 THR OG1 : rot -2:sc= -0.105 USER MOD Set 6.2: A 56 MET CE :methyl -164:sc= -0.856 (180deg=-1.61) USER MOD Set 7.1: A 24 LYS NZ :NH3+ 180:sc= 1.21 (180deg=-0.00488) USER MOD Set 7.2: A 25 ASN : amide:sc= 1.01 K(o=2.2,f=-11!) USER MOD Set 8.1: A 21 GLN : amide:sc= -0.789! C(o=0.83!,f=-6.3!) USER MOD Set 8.2: A 85 LYS NZ :NH3+ -142:sc= 1.62 (180deg=1.13) USER MOD Set 9.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 9.2: A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.26) USER MOD Single : A 11 TYR OH : rot -120:sc= 1.23 USER MOD Single : A 19 GLN : amide:sc= 0.946 K(o=0.95,f=-0.00069) USER MOD Single : A 20 ASN : amide:sc= 1.36 K(o=1.4,f=-12!) USER MOD Single : A 30 SER OG : rot -150:sc= 0.546 USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.07) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 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 55 HIS : no HD1:sc= -0.0492 X(o=-0.049,f=0) USER MOD Single : A 57 THR OG1 : rot 153:sc= 0.693 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= 0.587 (180deg=0.557) USER MOD Single : A 74 SER OG : rot 48:sc= 1.27 USER MOD Single : A 76 SER OG : rot 160:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 1.19 K(o=1.2,f=-0.14) USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= 2.27 (180deg=0.295) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0.412 (180deg=0.412) USER MOD Single : A 93 ASN : amide:sc= 1.1 K(o=1.1,f=-0.00068) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -67:sc= 1.22 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 41:sc= 0.391 USER MOD Single : A 109 GLN : amide:sc= -2.08! C(o=-2.1!,f=-3.5!) USER MOD Single : A 110 SER OG : rot 180:sc= 0.127 USER MOD Single : A 118 LYS NZ :NH3+ 149:sc= 3.58 (180deg=1.1) USER MOD Single : A 119 SER OG : rot -89:sc= 0.753 USER MOD Single : A 121 LYS NZ :NH3+ -144:sc= 1.03 (180deg=-0.814) USER MOD Single : A 147 LYS NZ :NH3+ 145:sc= 0.992 (180deg=-0.663!) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot -49:sc= 1.19 USER MOD Single : A 153 ASN : amide:sc= -0.0534 K(o=-0.053,f=-0.55) USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot -149:sc= 0 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot -40:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -14.489 -9.550 9.702 1.00 1.37 N ATOM 113 CA ASP A 7 -14.628 -9.971 8.320 1.00 1.05 C ATOM 114 C ASP A 7 -13.236 -10.274 7.761 1.00 0.96 C ATOM 115 O ASP A 7 -12.583 -9.373 7.240 1.00 1.03 O ATOM 116 CB ASP A 7 -15.341 -8.832 7.579 1.00 1.29 C ATOM 117 CG ASP A 7 -16.807 -8.774 7.971 1.00 2.80 C ATOM 118 OD1 ASP A 7 -17.097 -8.072 8.963 1.00 3.11 O ATOM 119 OD2 ASP A 7 -17.591 -9.472 7.295 1.00 4.40 O ATOM 0 HA ASP A 7 -15.218 -10.881 8.207 1.00 1.05 H new ATOM 0 HB2 ASP A 7 -14.859 -7.882 7.811 1.00 1.29 H new ATOM 0 HB3 ASP A 7 -15.252 -8.980 6.503 1.00 1.29 H new ATOM 124 N PRO A 8 -12.723 -11.502 7.940 1.00 1.08 N ATOM 125 CA PRO A 8 -11.379 -11.869 7.522 1.00 1.16 C ATOM 126 C PRO A 8 -11.344 -12.203 6.024 1.00 1.05 C ATOM 127 O PRO A 8 -11.937 -13.195 5.604 1.00 1.60 O ATOM 128 CB PRO A 8 -11.017 -13.085 8.379 1.00 1.50 C ATOM 129 CG PRO A 8 -12.367 -13.760 8.628 1.00 1.62 C ATOM 130 CD PRO A 8 -13.347 -12.587 8.689 1.00 1.37 C ATOM 0 HA PRO A 8 -10.667 -11.055 7.660 1.00 1.16 H new ATOM 0 HB2 PRO A 8 -10.325 -13.750 7.861 1.00 1.50 H new ATOM 0 HB3 PRO A 8 -10.537 -12.790 9.312 1.00 1.50 H new ATOM 0 HG2 PRO A 8 -12.622 -14.455 7.828 1.00 1.62 H new ATOM 0 HG3 PRO A 8 -12.365 -14.330 9.557 1.00 1.62 H new ATOM 0 HD2 PRO A 8 -14.309 -12.859 8.254 1.00 1.37 H new ATOM 0 HD3 PRO A 8 -13.537 -12.290 9.721 1.00 1.37 H new ATOM 138 N LEU A 9 -10.625 -11.417 5.213 1.00 0.82 N ATOM 139 CA LEU A 9 -10.387 -11.794 3.819 1.00 0.82 C ATOM 140 C LEU A 9 -9.314 -12.886 3.732 1.00 0.89 C ATOM 141 O LEU A 9 -8.742 -13.313 4.733 1.00 0.95 O ATOM 142 CB LEU A 9 -10.105 -10.629 2.847 1.00 1.07 C ATOM 143 CG LEU A 9 -9.947 -9.250 3.463 1.00 1.26 C ATOM 144 CD1 LEU A 9 -9.225 -8.361 2.450 1.00 1.66 C ATOM 145 CD2 LEU A 9 -11.281 -8.642 3.910 1.00 1.12 C ATOM 0 H LEU A 9 -10.205 -10.531 5.494 1.00 0.82 H new ATOM 0 HA LEU A 9 -11.339 -12.191 3.467 1.00 0.82 H new ATOM 0 HB2 LEU A 9 -9.195 -10.861 2.293 1.00 1.07 H new ATOM 0 HB3 LEU A 9 -10.918 -10.587 2.122 1.00 1.07 H new ATOM 0 HG LEU A 9 -9.357 -9.332 4.376 1.00 1.26 H new ATOM 0 HD11 LEU A 9 -9.098 -7.362 2.868 1.00 1.66 H new ATOM 0 HD12 LEU A 9 -8.247 -8.787 2.224 1.00 1.66 H new ATOM 0 HD13 LEU A 9 -9.814 -8.299 1.535 1.00 1.66 H new ATOM 0 HD21 LEU A 9 -11.105 -7.657 4.342 1.00 1.12 H new ATOM 0 HD22 LEU A 9 -11.944 -8.548 3.050 1.00 1.12 H new ATOM 0 HD23 LEU A 9 -11.744 -9.288 4.656 1.00 1.12 H new ATOM 157 N ASN A 10 -9.021 -13.318 2.505 1.00 0.94 N ATOM 158 CA ASN A 10 -7.846 -14.107 2.169 1.00 0.98 C ATOM 159 C ASN A 10 -7.417 -13.735 0.748 1.00 1.00 C ATOM 160 O ASN A 10 -7.395 -14.559 -0.159 1.00 1.08 O ATOM 161 CB ASN A 10 -8.085 -15.614 2.383 1.00 0.99 C ATOM 162 CG ASN A 10 -9.093 -16.258 1.430 1.00 3.11 C ATOM 163 OD1 ASN A 10 -8.729 -17.111 0.631 1.00 4.71 O ATOM 164 ND2 ASN A 10 -10.370 -15.902 1.540 1.00 3.52 N ATOM 0 H ASN A 10 -9.614 -13.121 1.699 1.00 0.94 H new ATOM 0 HA ASN A 10 -7.022 -13.874 2.844 1.00 0.98 H new ATOM 0 HB2 ASN A 10 -7.132 -16.134 2.283 1.00 0.99 H new ATOM 0 HB3 ASN A 10 -8.427 -15.769 3.406 1.00 0.99 H new ATOM 0 HD21 ASN A 10 -11.075 -16.343 0.949 1.00 3.52 H new ATOM 0 HD22 ASN A 10 -10.644 -15.188 2.215 1.00 3.52 H new ATOM 171 N TYR A 11 -7.101 -12.453 0.549 1.00 0.94 N ATOM 172 CA TYR A 11 -6.836 -11.901 -0.779 1.00 0.95 C ATOM 173 C TYR A 11 -5.348 -12.084 -1.095 1.00 0.89 C ATOM 174 O TYR A 11 -4.519 -11.445 -0.459 1.00 0.73 O ATOM 175 CB TYR A 11 -7.264 -10.425 -0.783 1.00 0.95 C ATOM 176 CG TYR A 11 -7.783 -9.819 -2.080 1.00 1.04 C ATOM 177 CD1 TYR A 11 -7.525 -10.414 -3.330 1.00 2.38 C ATOM 178 CD2 TYR A 11 -8.477 -8.590 -2.031 1.00 1.64 C ATOM 179 CE1 TYR A 11 -8.064 -9.855 -4.501 1.00 2.50 C ATOM 180 CE2 TYR A 11 -8.911 -7.967 -3.219 1.00 1.66 C ATOM 181 CZ TYR A 11 -8.718 -8.613 -4.453 1.00 1.34 C ATOM 182 OH TYR A 11 -9.303 -8.124 -5.582 1.00 1.55 O ATOM 0 H TYR A 11 -7.022 -11.771 1.303 1.00 0.94 H new ATOM 0 HA TYR A 11 -7.403 -12.415 -1.555 1.00 0.95 H new ATOM 0 HB2 TYR A 11 -8.040 -10.304 -0.027 1.00 0.95 H new ATOM 0 HB3 TYR A 11 -6.409 -9.832 -0.460 1.00 0.95 H new ATOM 0 HD1 TYR A 11 -6.912 -11.301 -3.389 1.00 2.38 H new ATOM 0 HD2 TYR A 11 -8.677 -8.124 -1.077 1.00 1.64 H new ATOM 0 HE1 TYR A 11 -7.975 -10.381 -5.440 1.00 2.50 H new ATOM 0 HE2 TYR A 11 -9.389 -6.999 -3.181 1.00 1.66 H new ATOM 0 HH TYR A 11 -8.895 -7.264 -5.815 1.00 1.55 H new ATOM 192 N GLU A 12 -4.968 -12.970 -2.016 1.00 1.11 N ATOM 193 CA GLU A 12 -3.589 -13.442 -2.075 1.00 1.03 C ATOM 194 C GLU A 12 -2.703 -12.377 -2.715 1.00 0.83 C ATOM 195 O GLU A 12 -2.824 -12.145 -3.920 1.00 1.10 O ATOM 196 CB GLU A 12 -3.466 -14.755 -2.837 1.00 1.48 C ATOM 197 CG GLU A 12 -4.635 -15.670 -2.493 1.00 2.35 C ATOM 198 CD GLU A 12 -5.709 -15.589 -3.566 1.00 3.81 C ATOM 199 OE1 GLU A 12 -6.060 -14.452 -3.962 1.00 5.13 O ATOM 200 OE2 GLU A 12 -6.219 -16.622 -4.034 1.00 4.35 O ATOM 0 H GLU A 12 -5.587 -13.369 -2.721 1.00 1.11 H new ATOM 0 HA GLU A 12 -3.259 -13.627 -1.053 1.00 1.03 H new ATOM 0 HB2 GLU A 12 -3.448 -14.562 -3.910 1.00 1.48 H new ATOM 0 HB3 GLU A 12 -2.525 -15.244 -2.586 1.00 1.48 H new ATOM 0 HG2 GLU A 12 -4.284 -16.698 -2.398 1.00 2.35 H new ATOM 0 HG3 GLU A 12 -5.055 -15.386 -1.528 1.00 2.35 H new ATOM 207 N VAL A 13 -1.813 -11.744 -1.952 1.00 0.58 N ATOM 208 CA VAL A 13 -0.887 -10.785 -2.532 1.00 0.62 C ATOM 209 C VAL A 13 0.229 -11.572 -3.238 1.00 0.67 C ATOM 210 O VAL A 13 0.590 -12.665 -2.801 1.00 0.68 O ATOM 211 CB VAL A 13 -0.414 -9.801 -1.444 1.00 0.73 C ATOM 212 CG1 VAL A 13 1.043 -10.009 -1.057 1.00 2.35 C ATOM 213 CG2 VAL A 13 -0.607 -8.359 -1.894 1.00 1.83 C ATOM 0 H VAL A 13 -1.717 -11.878 -0.945 1.00 0.58 H new ATOM 0 HA VAL A 13 -1.353 -10.158 -3.292 1.00 0.62 H new ATOM 0 HB VAL A 13 -1.029 -10.003 -0.567 1.00 0.73 H new ATOM 0 HG11 VAL A 13 1.321 -9.289 -0.288 1.00 2.35 H new ATOM 0 HG12 VAL A 13 1.177 -11.020 -0.673 1.00 2.35 H new ATOM 0 HG13 VAL A 13 1.676 -9.867 -1.933 1.00 2.35 H new ATOM 0 HG21 VAL A 13 -0.266 -7.684 -1.109 1.00 1.83 H new ATOM 0 HG22 VAL A 13 -0.030 -8.181 -2.802 1.00 1.83 H new ATOM 0 HG23 VAL A 13 -1.663 -8.178 -2.094 1.00 1.83 H new ATOM 223 N GLU A 14 0.727 -11.056 -4.366 1.00 1.05 N ATOM 224 CA GLU A 14 1.482 -11.859 -5.323 1.00 1.07 C ATOM 225 C GLU A 14 2.993 -11.853 -5.030 1.00 0.82 C ATOM 226 O GLU A 14 3.579 -10.772 -4.965 1.00 0.83 O ATOM 227 CB GLU A 14 1.169 -11.371 -6.732 1.00 1.44 C ATOM 228 CG GLU A 14 1.289 -12.502 -7.756 1.00 1.58 C ATOM 229 CD GLU A 14 0.804 -12.066 -9.130 1.00 2.83 C ATOM 230 OE1 GLU A 14 1.254 -10.988 -9.565 1.00 4.34 O ATOM 231 OE2 GLU A 14 -0.037 -12.806 -9.682 1.00 3.21 O ATOM 0 H GLU A 14 0.618 -10.079 -4.637 1.00 1.05 H new ATOM 0 HA GLU A 14 1.174 -12.900 -5.229 1.00 1.07 H new ATOM 0 HB2 GLU A 14 0.160 -10.959 -6.760 1.00 1.44 H new ATOM 0 HB3 GLU A 14 1.851 -10.563 -6.998 1.00 1.44 H new ATOM 0 HG2 GLU A 14 2.328 -12.825 -7.822 1.00 1.58 H new ATOM 0 HG3 GLU A 14 0.708 -13.361 -7.420 1.00 1.58 H new ATOM 238 N PRO A 15 3.640 -13.018 -4.840 1.00 0.73 N ATOM 239 CA PRO A 15 5.086 -13.110 -4.674 1.00 0.60 C ATOM 240 C PRO A 15 5.842 -12.551 -5.876 1.00 0.58 C ATOM 241 O PRO A 15 5.490 -12.860 -7.012 1.00 0.65 O ATOM 242 CB PRO A 15 5.400 -14.596 -4.483 1.00 0.71 C ATOM 243 CG PRO A 15 4.090 -15.159 -3.939 1.00 0.85 C ATOM 244 CD PRO A 15 3.038 -14.331 -4.673 1.00 0.87 C ATOM 0 HA PRO A 15 5.406 -12.514 -3.819 1.00 0.60 H new ATOM 0 HB2 PRO A 15 5.684 -15.072 -5.421 1.00 0.71 H new ATOM 0 HB3 PRO A 15 6.224 -14.748 -3.786 1.00 0.71 H new ATOM 0 HG2 PRO A 15 3.988 -16.223 -4.151 1.00 0.85 H new ATOM 0 HG3 PRO A 15 4.016 -15.041 -2.858 1.00 0.85 H new ATOM 0 HD2 PRO A 15 2.788 -14.776 -5.636 1.00 0.87 H new ATOM 0 HD3 PRO A 15 2.113 -14.271 -4.100 1.00 0.87 H new ATOM 252 N PHE A 16 6.897 -11.765 -5.637 1.00 0.55 N ATOM 253 CA PHE A 16 7.778 -11.241 -6.661 1.00 0.65 C ATOM 254 C PHE A 16 8.943 -10.575 -5.928 1.00 0.64 C ATOM 255 O PHE A 16 8.910 -10.470 -4.695 1.00 0.61 O ATOM 256 CB PHE A 16 7.041 -10.253 -7.585 1.00 0.88 C ATOM 257 CG PHE A 16 7.807 -9.944 -8.852 1.00 1.18 C ATOM 258 CD1 PHE A 16 7.960 -10.942 -9.833 1.00 2.42 C ATOM 259 CD2 PHE A 16 8.504 -8.730 -8.980 1.00 2.29 C ATOM 260 CE1 PHE A 16 8.830 -10.738 -10.918 1.00 2.76 C ATOM 261 CE2 PHE A 16 9.408 -8.546 -10.038 1.00 2.61 C ATOM 262 CZ PHE A 16 9.567 -9.544 -11.012 1.00 2.16 C ATOM 0 H PHE A 16 7.161 -11.473 -4.696 1.00 0.55 H new ATOM 0 HA PHE A 16 8.139 -12.036 -7.313 1.00 0.65 H new ATOM 0 HB2 PHE A 16 6.067 -10.667 -7.848 1.00 0.88 H new ATOM 0 HB3 PHE A 16 6.857 -9.325 -7.043 1.00 0.88 H new ATOM 0 HD1 PHE A 16 7.408 -11.867 -9.752 1.00 2.42 H new ATOM 0 HD2 PHE A 16 8.344 -7.938 -8.264 1.00 2.29 H new ATOM 0 HE1 PHE A 16 8.932 -11.498 -11.679 1.00 2.76 H new ATOM 0 HE2 PHE A 16 9.983 -7.634 -10.103 1.00 2.61 H new ATOM 0 HZ PHE A 16 10.254 -9.395 -11.832 1.00 2.16 H new ATOM 272 N THR A 17 9.952 -10.143 -6.687 1.00 0.72 N ATOM 273 CA THR A 17 11.103 -9.409 -6.197 1.00 0.71 C ATOM 274 C THR A 17 11.000 -7.956 -6.645 1.00 0.68 C ATOM 275 O THR A 17 11.347 -7.637 -7.779 1.00 0.99 O ATOM 276 CB THR A 17 12.397 -10.073 -6.679 1.00 0.74 C ATOM 277 OG1 THR A 17 12.334 -11.468 -6.447 1.00 0.81 O ATOM 278 CG2 THR A 17 13.564 -9.497 -5.876 1.00 0.76 C ATOM 0 H THR A 17 9.984 -10.304 -7.694 1.00 0.72 H new ATOM 0 HA THR A 17 11.122 -9.425 -5.107 1.00 0.71 H new ATOM 0 HB THR A 17 12.531 -9.887 -7.745 1.00 0.74 H new ATOM 0 HG1 THR A 17 13.162 -11.889 -6.758 1.00 0.81 H new ATOM 0 HG21 THR A 17 14.495 -9.958 -6.205 1.00 0.76 H new ATOM 0 HG22 THR A 17 13.617 -8.420 -6.033 1.00 0.76 H new ATOM 0 HG23 THR A 17 13.413 -9.702 -4.816 1.00 0.76 H new ATOM 286 N PHE A 18 10.564 -7.074 -5.746 1.00 0.49 N ATOM 287 CA PHE A 18 10.342 -5.673 -6.062 1.00 0.48 C ATOM 288 C PHE A 18 11.585 -4.893 -5.656 1.00 0.42 C ATOM 289 O PHE A 18 12.472 -5.413 -4.973 1.00 0.40 O ATOM 290 CB PHE A 18 9.125 -5.124 -5.296 1.00 0.48 C ATOM 291 CG PHE A 18 7.961 -6.085 -5.153 1.00 0.54 C ATOM 292 CD1 PHE A 18 6.958 -6.123 -6.137 1.00 1.92 C ATOM 293 CD2 PHE A 18 7.885 -6.943 -4.040 1.00 2.18 C ATOM 294 CE1 PHE A 18 5.874 -7.005 -6.002 1.00 1.89 C ATOM 295 CE2 PHE A 18 6.811 -7.840 -3.918 1.00 2.25 C ATOM 296 CZ PHE A 18 5.803 -7.870 -4.897 1.00 0.72 C ATOM 0 H PHE A 18 10.356 -7.317 -4.777 1.00 0.49 H new ATOM 0 HA PHE A 18 10.148 -5.570 -7.130 1.00 0.48 H new ATOM 0 HB2 PHE A 18 9.449 -4.822 -4.300 1.00 0.48 H new ATOM 0 HB3 PHE A 18 8.773 -4.226 -5.803 1.00 0.48 H new ATOM 0 HD1 PHE A 18 7.021 -5.473 -6.997 1.00 1.92 H new ATOM 0 HD2 PHE A 18 8.652 -6.912 -3.280 1.00 2.18 H new ATOM 0 HE1 PHE A 18 5.094 -7.019 -6.749 1.00 1.89 H new ATOM 0 HE2 PHE A 18 6.760 -8.508 -3.071 1.00 2.25 H new ATOM 0 HZ PHE A 18 4.975 -8.557 -4.800 1.00 0.72 H new ATOM 306 N GLN A 19 11.628 -3.619 -6.041 1.00 0.44 N ATOM 307 CA GLN A 19 12.624 -2.685 -5.561 1.00 0.42 C ATOM 308 C GLN A 19 11.897 -1.503 -4.935 1.00 0.43 C ATOM 309 O GLN A 19 10.867 -1.058 -5.448 1.00 0.51 O ATOM 310 CB GLN A 19 13.550 -2.256 -6.698 1.00 0.49 C ATOM 311 CG GLN A 19 14.211 -3.488 -7.335 1.00 0.62 C ATOM 312 CD GLN A 19 15.297 -3.127 -8.339 1.00 1.12 C ATOM 313 OE1 GLN A 19 15.132 -3.322 -9.538 1.00 1.60 O ATOM 314 NE2 GLN A 19 16.434 -2.627 -7.869 1.00 1.89 N ATOM 0 H GLN A 19 10.965 -3.211 -6.700 1.00 0.44 H new ATOM 0 HA GLN A 19 13.258 -3.152 -4.808 1.00 0.42 H new ATOM 0 HB2 GLN A 19 12.984 -1.707 -7.451 1.00 0.49 H new ATOM 0 HB3 GLN A 19 14.315 -1.579 -6.318 1.00 0.49 H new ATOM 0 HG2 GLN A 19 14.642 -4.109 -6.550 1.00 0.62 H new ATOM 0 HG3 GLN A 19 13.448 -4.087 -7.833 1.00 0.62 H new ATOM 0 HE21 GLN A 19 16.548 -2.473 -6.867 1.00 1.89 H new ATOM 0 HE22 GLN A 19 17.193 -2.396 -8.510 1.00 1.89 H new ATOM 323 N ASN A 20 12.420 -1.019 -3.815 1.00 0.44 N ATOM 324 CA ASN A 20 11.917 0.170 -3.155 1.00 0.54 C ATOM 325 C ASN A 20 12.418 1.444 -3.835 1.00 0.78 C ATOM 326 O ASN A 20 13.181 1.386 -4.800 1.00 0.94 O ATOM 327 CB ASN A 20 12.113 0.101 -1.634 1.00 0.55 C ATOM 328 CG ASN A 20 13.479 0.538 -1.129 1.00 0.79 C ATOM 329 OD1 ASN A 20 14.319 1.025 -1.883 1.00 1.19 O ATOM 330 ND2 ASN A 20 13.696 0.385 0.170 1.00 0.79 N ATOM 0 H ASN A 20 13.213 -1.448 -3.338 1.00 0.44 H new ATOM 0 HA ASN A 20 10.835 0.213 -3.277 1.00 0.54 H new ATOM 0 HB2 ASN A 20 11.354 0.722 -1.159 1.00 0.55 H new ATOM 0 HB3 ASN A 20 11.936 -0.924 -1.309 1.00 0.55 H new ATOM 0 HD21 ASN A 20 14.585 0.676 0.576 1.00 0.79 H new ATOM 0 HD22 ASN A 20 12.974 -0.023 0.763 1.00 0.79 H new ATOM 337 N GLN A 21 11.975 2.608 -3.356 1.00 0.90 N ATOM 338 CA GLN A 21 12.270 3.889 -3.984 1.00 1.27 C ATOM 339 C GLN A 21 13.772 4.185 -4.001 1.00 1.49 C ATOM 340 O GLN A 21 14.233 5.009 -4.791 1.00 1.90 O ATOM 341 CB GLN A 21 11.420 5.013 -3.356 1.00 1.43 C ATOM 342 CG GLN A 21 11.794 5.415 -1.922 1.00 1.56 C ATOM 343 CD GLN A 21 13.137 6.137 -1.847 1.00 2.42 C ATOM 344 OE1 GLN A 21 13.447 6.998 -2.675 1.00 3.34 O ATOM 345 NE2 GLN A 21 13.960 5.749 -0.884 1.00 2.64 N ATOM 0 H GLN A 21 11.399 2.685 -2.518 1.00 0.90 H new ATOM 0 HA GLN A 21 11.981 3.835 -5.034 1.00 1.27 H new ATOM 0 HB2 GLN A 21 11.494 5.896 -3.991 1.00 1.43 H new ATOM 0 HB3 GLN A 21 10.376 4.700 -3.364 1.00 1.43 H new ATOM 0 HG2 GLN A 21 11.016 6.060 -1.514 1.00 1.56 H new ATOM 0 HG3 GLN A 21 11.829 4.523 -1.296 1.00 1.56 H new ATOM 0 HE21 GLN A 21 13.666 5.034 -0.219 1.00 2.64 H new ATOM 0 HE22 GLN A 21 14.888 6.165 -0.808 1.00 2.64 H new ATOM 354 N ASP A 22 14.524 3.523 -3.119 1.00 1.33 N ATOM 355 CA ASP A 22 15.969 3.598 -2.999 1.00 1.50 C ATOM 356 C ASP A 22 16.640 2.541 -3.887 1.00 1.28 C ATOM 357 O ASP A 22 17.821 2.245 -3.734 1.00 1.28 O ATOM 358 CB ASP A 22 16.318 3.493 -1.507 1.00 1.64 C ATOM 359 CG ASP A 22 17.160 4.675 -1.039 1.00 2.59 C ATOM 360 OD1 ASP A 22 16.614 5.805 -1.098 1.00 3.76 O ATOM 361 OD2 ASP A 22 18.305 4.440 -0.609 1.00 2.82 O ATOM 0 H ASP A 22 14.112 2.888 -2.436 1.00 1.33 H new ATOM 0 HA ASP A 22 16.358 4.549 -3.364 1.00 1.50 H new ATOM 0 HB2 ASP A 22 15.400 3.446 -0.921 1.00 1.64 H new ATOM 0 HB3 ASP A 22 16.860 2.565 -1.325 1.00 1.64 H new ATOM 366 N GLY A 23 15.881 1.955 -4.823 1.00 1.21 N ATOM 367 CA GLY A 23 16.328 0.874 -5.685 1.00 1.19 C ATOM 368 C GLY A 23 16.533 -0.418 -4.898 1.00 1.12 C ATOM 369 O GLY A 23 17.050 -1.396 -5.437 1.00 1.45 O ATOM 0 H GLY A 23 14.916 2.233 -4.999 1.00 1.21 H new ATOM 0 HA2 GLY A 23 15.594 0.709 -6.474 1.00 1.19 H new ATOM 0 HA3 GLY A 23 17.261 1.157 -6.172 1.00 1.19 H new ATOM 373 N LYS A 24 16.149 -0.442 -3.619 1.00 0.87 N ATOM 374 CA LYS A 24 16.595 -1.476 -2.715 1.00 0.82 C ATOM 375 C LYS A 24 15.711 -2.699 -2.907 1.00 0.59 C ATOM 376 O LYS A 24 14.491 -2.615 -2.795 1.00 0.56 O ATOM 377 CB LYS A 24 16.581 -0.930 -1.284 1.00 1.03 C ATOM 378 CG LYS A 24 17.691 -1.496 -0.404 1.00 1.09 C ATOM 379 CD LYS A 24 17.270 -2.859 0.180 1.00 1.41 C ATOM 380 CE LYS A 24 18.441 -3.729 0.653 1.00 1.88 C ATOM 381 NZ LYS A 24 19.222 -4.288 -0.471 1.00 3.33 N ATOM 0 H LYS A 24 15.529 0.249 -3.197 1.00 0.87 H new ATOM 0 HA LYS A 24 17.620 -1.782 -2.923 1.00 0.82 H new ATOM 0 HB2 LYS A 24 16.673 0.156 -1.317 1.00 1.03 H new ATOM 0 HB3 LYS A 24 15.617 -1.154 -0.828 1.00 1.03 H new ATOM 0 HG2 LYS A 24 18.605 -1.610 -0.988 1.00 1.09 H new ATOM 0 HG3 LYS A 24 17.914 -0.800 0.404 1.00 1.09 H new ATOM 0 HD2 LYS A 24 16.596 -2.689 1.020 1.00 1.41 H new ATOM 0 HD3 LYS A 24 16.707 -3.407 -0.575 1.00 1.41 H new ATOM 0 HE2 LYS A 24 19.098 -3.134 1.287 1.00 1.88 H new ATOM 0 HE3 LYS A 24 18.059 -4.545 1.267 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 20.001 -4.868 -0.098 1.00 3.33 H new ATOM 0 HZ2 LYS A 24 18.604 -4.878 -1.063 1.00 3.33 H new ATOM 0 HZ3 LYS A 24 19.611 -3.512 -1.043 1.00 3.33 H new ATOM 395 N ASN A 25 16.339 -3.838 -3.190 1.00 0.57 N ATOM 396 CA ASN A 25 15.647 -5.058 -3.568 1.00 0.50 C ATOM 397 C ASN A 25 14.996 -5.690 -2.340 1.00 0.49 C ATOM 398 O ASN A 25 15.639 -5.812 -1.296 1.00 0.61 O ATOM 399 CB ASN A 25 16.631 -6.045 -4.211 1.00 0.69 C ATOM 400 CG ASN A 25 17.716 -6.511 -3.235 1.00 2.36 C ATOM 401 OD1 ASN A 25 18.371 -5.696 -2.581 1.00 3.26 O ATOM 402 ND2 ASN A 25 17.921 -7.820 -3.123 1.00 3.31 N ATOM 0 H ASN A 25 17.354 -3.936 -3.162 1.00 0.57 H new ATOM 0 HA ASN A 25 14.871 -4.814 -4.293 1.00 0.50 H new ATOM 0 HB2 ASN A 25 16.082 -6.912 -4.580 1.00 0.69 H new ATOM 0 HB3 ASN A 25 17.101 -5.574 -5.074 1.00 0.69 H new ATOM 0 HD21 ASN A 25 18.634 -8.172 -2.484 1.00 3.31 H new ATOM 0 HD22 ASN A 25 17.365 -8.472 -3.676 1.00 3.31 H new ATOM 409 N VAL A 26 13.725 -6.074 -2.471 1.00 0.41 N ATOM 410 CA VAL A 26 12.934 -6.699 -1.427 1.00 0.41 C ATOM 411 C VAL A 26 11.987 -7.699 -2.093 1.00 0.46 C ATOM 412 O VAL A 26 11.295 -7.355 -3.051 1.00 0.51 O ATOM 413 CB VAL A 26 12.168 -5.632 -0.619 1.00 0.40 C ATOM 414 CG1 VAL A 26 13.091 -4.860 0.331 1.00 0.91 C ATOM 415 CG2 VAL A 26 11.431 -4.614 -1.496 1.00 0.88 C ATOM 0 H VAL A 26 13.206 -5.951 -3.341 1.00 0.41 H new ATOM 0 HA VAL A 26 13.574 -7.225 -0.719 1.00 0.41 H new ATOM 0 HB VAL A 26 11.431 -6.200 -0.051 1.00 0.40 H new ATOM 0 HG11 VAL A 26 12.510 -4.119 0.880 1.00 0.91 H new ATOM 0 HG12 VAL A 26 13.552 -5.554 1.034 1.00 0.91 H new ATOM 0 HG13 VAL A 26 13.868 -4.358 -0.245 1.00 0.91 H new ATOM 0 HG21 VAL A 26 10.914 -3.894 -0.862 1.00 0.88 H new ATOM 0 HG22 VAL A 26 12.149 -4.091 -2.128 1.00 0.88 H new ATOM 0 HG23 VAL A 26 10.705 -5.132 -2.123 1.00 0.88 H new ATOM 425 N SER A 27 11.965 -8.940 -1.607 1.00 0.57 N ATOM 426 CA SER A 27 11.046 -9.946 -2.109 1.00 0.63 C ATOM 427 C SER A 27 9.785 -9.907 -1.267 1.00 0.51 C ATOM 428 O SER A 27 9.841 -9.500 -0.107 1.00 0.47 O ATOM 429 CB SER A 27 11.698 -11.330 -2.067 1.00 0.76 C ATOM 430 OG SER A 27 12.959 -11.288 -2.711 1.00 1.94 O ATOM 0 H SER A 27 12.579 -9.268 -0.862 1.00 0.57 H new ATOM 0 HA SER A 27 10.791 -9.738 -3.148 1.00 0.63 H new ATOM 0 HB2 SER A 27 11.818 -11.654 -1.033 1.00 0.76 H new ATOM 0 HB3 SER A 27 11.054 -12.060 -2.557 1.00 0.76 H new ATOM 0 HG SER A 27 13.372 -12.176 -2.679 1.00 1.94 H new ATOM 436 N LEU A 28 8.656 -10.385 -1.790 1.00 0.59 N ATOM 437 CA LEU A 28 7.518 -10.611 -0.925 1.00 0.62 C ATOM 438 C LEU A 28 7.930 -11.522 0.235 1.00 0.53 C ATOM 439 O LEU A 28 7.554 -11.284 1.373 1.00 0.64 O ATOM 440 CB LEU A 28 6.375 -11.217 -1.726 1.00 0.75 C ATOM 441 CG LEU A 28 5.052 -10.951 -1.003 1.00 0.71 C ATOM 442 CD1 LEU A 28 4.550 -9.543 -1.348 1.00 1.04 C ATOM 443 CD2 LEU A 28 4.027 -11.993 -1.435 1.00 1.16 C ATOM 0 H LEU A 28 8.514 -10.614 -2.774 1.00 0.59 H new ATOM 0 HA LEU A 28 7.174 -9.664 -0.510 1.00 0.62 H new ATOM 0 HB2 LEU A 28 6.349 -10.786 -2.727 1.00 0.75 H new ATOM 0 HB3 LEU A 28 6.528 -12.290 -1.845 1.00 0.75 H new ATOM 0 HG LEU A 28 5.201 -11.017 0.075 1.00 0.71 H new ATOM 0 HD11 LEU A 28 3.608 -9.356 -0.832 1.00 1.04 H new ATOM 0 HD12 LEU A 28 5.289 -8.806 -1.033 1.00 1.04 H new ATOM 0 HD13 LEU A 28 4.396 -9.465 -2.424 1.00 1.04 H new ATOM 0 HD21 LEU A 28 3.083 -11.808 -0.923 1.00 1.16 H new ATOM 0 HD22 LEU A 28 3.874 -11.928 -2.512 1.00 1.16 H new ATOM 0 HD23 LEU A 28 4.390 -12.988 -1.179 1.00 1.16 H new ATOM 455 N GLU A 29 8.770 -12.518 -0.045 1.00 0.48 N ATOM 456 CA GLU A 29 9.380 -13.439 0.903 1.00 0.57 C ATOM 457 C GLU A 29 10.152 -12.723 2.019 1.00 0.48 C ATOM 458 O GLU A 29 10.362 -13.293 3.083 1.00 0.52 O ATOM 459 CB GLU A 29 10.264 -14.422 0.133 1.00 0.80 C ATOM 460 CG GLU A 29 9.461 -15.505 -0.614 1.00 1.28 C ATOM 461 CD GLU A 29 8.375 -14.961 -1.533 1.00 2.70 C ATOM 462 OE1 GLU A 29 8.666 -13.974 -2.247 1.00 3.52 O ATOM 463 OE2 GLU A 29 7.251 -15.511 -1.455 1.00 3.98 O ATOM 0 H GLU A 29 9.059 -12.712 -1.004 1.00 0.48 H new ATOM 0 HA GLU A 29 8.588 -13.986 1.414 1.00 0.57 H new ATOM 0 HB2 GLU A 29 10.871 -13.870 -0.584 1.00 0.80 H new ATOM 0 HB3 GLU A 29 10.952 -14.904 0.828 1.00 0.80 H new ATOM 0 HG2 GLU A 29 10.150 -16.109 -1.204 1.00 1.28 H new ATOM 0 HG3 GLU A 29 9.002 -16.169 0.118 1.00 1.28 H new ATOM 470 N SER A 30 10.572 -11.476 1.791 1.00 0.45 N ATOM 471 CA SER A 30 11.162 -10.625 2.819 1.00 0.49 C ATOM 472 C SER A 30 10.145 -10.132 3.872 1.00 0.49 C ATOM 473 O SER A 30 10.534 -9.415 4.798 1.00 0.61 O ATOM 474 CB SER A 30 11.918 -9.478 2.165 1.00 0.55 C ATOM 475 OG SER A 30 12.627 -9.897 1.008 1.00 1.35 O ATOM 0 H SER A 30 10.510 -11.027 0.877 1.00 0.45 H new ATOM 0 HA SER A 30 11.867 -11.235 3.383 1.00 0.49 H new ATOM 0 HB2 SER A 30 11.216 -8.690 1.894 1.00 0.55 H new ATOM 0 HB3 SER A 30 12.617 -9.049 2.883 1.00 0.55 H new ATOM 0 HG SER A 30 13.426 -9.341 0.894 1.00 1.35 H new ATOM 481 N LEU A 31 8.853 -10.400 3.646 1.00 0.46 N ATOM 482 CA LEU A 31 7.702 -9.956 4.430 1.00 0.54 C ATOM 483 C LEU A 31 6.694 -11.092 4.716 1.00 0.73 C ATOM 484 O LEU A 31 5.955 -11.070 5.697 1.00 0.91 O ATOM 485 CB LEU A 31 6.978 -8.873 3.617 1.00 0.52 C ATOM 486 CG LEU A 31 7.860 -7.716 3.131 1.00 0.44 C ATOM 487 CD1 LEU A 31 7.118 -6.945 2.040 1.00 0.49 C ATOM 488 CD2 LEU A 31 8.194 -6.790 4.301 1.00 0.45 C ATOM 0 H LEU A 31 8.568 -10.974 2.853 1.00 0.46 H new ATOM 0 HA LEU A 31 8.069 -9.592 5.390 1.00 0.54 H new ATOM 0 HB2 LEU A 31 6.514 -9.343 2.750 1.00 0.52 H new ATOM 0 HB3 LEU A 31 6.173 -8.463 4.226 1.00 0.52 H new ATOM 0 HG LEU A 31 8.791 -8.110 2.724 1.00 0.44 H new ATOM 0 HD11 LEU A 31 7.740 -6.121 1.690 1.00 0.49 H new ATOM 0 HD12 LEU A 31 6.899 -7.613 1.207 1.00 0.49 H new ATOM 0 HD13 LEU A 31 6.186 -6.550 2.444 1.00 0.49 H new ATOM 0 HD21 LEU A 31 8.821 -5.970 3.949 1.00 0.45 H new ATOM 0 HD22 LEU A 31 7.272 -6.387 4.721 1.00 0.45 H new ATOM 0 HD23 LEU A 31 8.728 -7.351 5.068 1.00 0.45 H new ATOM 500 N LYS A 32 6.554 -12.041 3.792 1.00 0.85 N ATOM 501 CA LYS A 32 5.612 -13.137 3.826 1.00 1.09 C ATOM 502 C LYS A 32 6.023 -14.146 4.893 1.00 1.23 C ATOM 503 O LYS A 32 7.002 -14.872 4.733 1.00 1.78 O ATOM 504 CB LYS A 32 5.639 -13.733 2.439 1.00 1.42 C ATOM 505 CG LYS A 32 4.738 -14.944 2.219 1.00 1.39 C ATOM 506 CD LYS A 32 4.476 -14.960 0.714 1.00 2.55 C ATOM 507 CE LYS A 32 4.281 -16.367 0.142 1.00 2.64 C ATOM 508 NZ LYS A 32 5.586 -17.021 -0.088 1.00 3.23 N ATOM 0 H LYS A 32 7.134 -12.058 2.953 1.00 0.85 H new ATOM 0 HA LYS A 32 4.603 -12.817 4.086 1.00 1.09 H new ATOM 0 HB2 LYS A 32 5.356 -12.959 1.726 1.00 1.42 H new ATOM 0 HB3 LYS A 32 6.665 -14.020 2.207 1.00 1.42 H new ATOM 0 HG2 LYS A 32 5.223 -15.864 2.547 1.00 1.39 H new ATOM 0 HG3 LYS A 32 3.809 -14.855 2.782 1.00 1.39 H new ATOM 0 HD2 LYS A 32 3.588 -14.364 0.502 1.00 2.55 H new ATOM 0 HD3 LYS A 32 5.311 -14.481 0.203 1.00 2.55 H new ATOM 0 HE2 LYS A 32 3.685 -16.966 0.830 1.00 2.64 H new ATOM 0 HE3 LYS A 32 3.726 -16.311 -0.795 1.00 2.64 H new ATOM 0 HZ1 LYS A 32 5.435 -18.021 -0.330 1.00 3.23 H new ATOM 0 HZ2 LYS A 32 6.079 -16.546 -0.871 1.00 3.23 H new ATOM 0 HZ3 LYS A 32 6.163 -16.956 0.775 1.00 3.23 H new ATOM 522 N GLY A 33 5.240 -14.188 5.963 1.00 0.98 N ATOM 523 CA GLY A 33 5.581 -14.805 7.231 1.00 1.00 C ATOM 524 C GLY A 33 5.248 -13.818 8.345 1.00 0.80 C ATOM 525 O GLY A 33 4.790 -14.218 9.415 1.00 0.79 O ATOM 0 H GLY A 33 4.308 -13.773 5.967 1.00 0.98 H new ATOM 0 HA2 GLY A 33 5.023 -15.732 7.365 1.00 1.00 H new ATOM 0 HA3 GLY A 33 6.640 -15.063 7.256 1.00 1.00 H new ATOM 529 N GLU A 34 5.421 -12.524 8.064 1.00 0.70 N ATOM 530 CA GLU A 34 5.294 -11.454 9.039 1.00 0.55 C ATOM 531 C GLU A 34 3.930 -10.758 8.893 1.00 0.37 C ATOM 532 O GLU A 34 3.237 -10.939 7.894 1.00 0.48 O ATOM 533 CB GLU A 34 6.482 -10.491 8.862 1.00 0.66 C ATOM 534 CG GLU A 34 7.845 -11.166 9.118 1.00 1.49 C ATOM 535 CD GLU A 34 8.256 -12.200 8.074 1.00 3.79 C ATOM 536 OE1 GLU A 34 8.490 -11.787 6.919 1.00 5.10 O ATOM 537 OE2 GLU A 34 8.302 -13.394 8.444 1.00 4.73 O ATOM 0 H GLU A 34 5.658 -12.191 7.130 1.00 0.70 H new ATOM 0 HA GLU A 34 5.326 -11.848 10.055 1.00 0.55 H new ATOM 0 HB2 GLU A 34 6.467 -10.086 7.850 1.00 0.66 H new ATOM 0 HB3 GLU A 34 6.365 -9.649 9.544 1.00 0.66 H new ATOM 0 HG2 GLU A 34 8.613 -10.394 9.166 1.00 1.49 H new ATOM 0 HG3 GLU A 34 7.817 -11.649 10.095 1.00 1.49 H new ATOM 544 N VAL A 35 3.527 -9.963 9.892 1.00 0.29 N ATOM 545 CA VAL A 35 2.301 -9.163 9.848 1.00 0.32 C ATOM 546 C VAL A 35 2.657 -7.745 9.431 1.00 0.36 C ATOM 547 O VAL A 35 2.734 -6.826 10.242 1.00 0.49 O ATOM 548 CB VAL A 35 1.526 -9.246 11.173 1.00 0.43 C ATOM 549 CG1 VAL A 35 2.300 -8.849 12.439 1.00 0.54 C ATOM 550 CG2 VAL A 35 0.201 -8.474 11.089 1.00 0.57 C ATOM 0 H VAL A 35 4.050 -9.857 10.762 1.00 0.29 H new ATOM 0 HA VAL A 35 1.616 -9.565 9.102 1.00 0.32 H new ATOM 0 HB VAL A 35 1.336 -10.312 11.294 1.00 0.43 H new ATOM 0 HG11 VAL A 35 1.650 -8.948 13.309 1.00 0.54 H new ATOM 0 HG12 VAL A 35 3.165 -9.502 12.556 1.00 0.54 H new ATOM 0 HG13 VAL A 35 2.635 -7.815 12.352 1.00 0.54 H new ATOM 0 HG21 VAL A 35 -0.326 -8.550 12.040 1.00 0.57 H new ATOM 0 HG22 VAL A 35 0.404 -7.426 10.870 1.00 0.57 H new ATOM 0 HG23 VAL A 35 -0.417 -8.897 10.297 1.00 0.57 H new ATOM 560 N TRP A 36 2.901 -7.582 8.138 1.00 0.36 N ATOM 561 CA TRP A 36 3.286 -6.308 7.575 1.00 0.35 C ATOM 562 C TRP A 36 2.044 -5.579 7.065 1.00 0.40 C ATOM 563 O TRP A 36 1.083 -6.197 6.598 1.00 0.45 O ATOM 564 CB TRP A 36 4.341 -6.536 6.495 1.00 0.35 C ATOM 565 CG TRP A 36 3.949 -7.439 5.374 1.00 0.34 C ATOM 566 CD1 TRP A 36 3.889 -8.788 5.396 1.00 0.39 C ATOM 567 CD2 TRP A 36 3.625 -7.052 4.019 1.00 0.32 C ATOM 568 NE1 TRP A 36 3.582 -9.259 4.138 1.00 0.41 N ATOM 569 CE2 TRP A 36 3.452 -8.225 3.233 1.00 0.37 C ATOM 570 CE3 TRP A 36 3.497 -5.811 3.376 1.00 0.32 C ATOM 571 CZ2 TRP A 36 3.209 -8.161 1.855 1.00 0.43 C ATOM 572 CZ3 TRP A 36 3.170 -5.736 2.014 1.00 0.36 C ATOM 573 CH2 TRP A 36 3.080 -6.901 1.246 1.00 0.40 C ATOM 0 H TRP A 36 2.836 -8.335 7.453 1.00 0.36 H new ATOM 0 HA TRP A 36 3.737 -5.665 8.331 1.00 0.35 H new ATOM 0 HB2 TRP A 36 4.617 -5.569 6.076 1.00 0.35 H new ATOM 0 HB3 TRP A 36 5.234 -6.945 6.968 1.00 0.35 H new ATOM 0 HD1 TRP A 36 4.056 -9.404 6.267 1.00 0.39 H new ATOM 0 HE1 TRP A 36 3.466 -10.245 3.905 1.00 0.41 H new ATOM 0 HE3 TRP A 36 3.652 -4.902 3.937 1.00 0.32 H new ATOM 0 HZ2 TRP A 36 3.122 -9.065 1.270 1.00 0.43 H new ATOM 0 HZ3 TRP A 36 2.987 -4.775 1.557 1.00 0.36 H new ATOM 0 HH2 TRP A 36 2.911 -6.832 0.182 1.00 0.40 H new ATOM 584 N LEU A 37 2.051 -4.253 7.191 1.00 0.46 N ATOM 585 CA LEU A 37 0.963 -3.428 6.712 1.00 0.48 C ATOM 586 C LEU A 37 1.283 -3.009 5.275 1.00 0.47 C ATOM 587 O LEU A 37 2.446 -2.997 4.879 1.00 0.46 O ATOM 588 CB LEU A 37 0.777 -2.220 7.637 1.00 0.56 C ATOM 589 CG LEU A 37 0.449 -2.502 9.122 1.00 0.81 C ATOM 590 CD1 LEU A 37 -0.396 -1.327 9.635 1.00 1.21 C ATOM 591 CD2 LEU A 37 -0.367 -3.782 9.344 1.00 0.86 C ATOM 0 H LEU A 37 2.811 -3.730 7.627 1.00 0.46 H new ATOM 0 HA LEU A 37 0.022 -3.979 6.717 1.00 0.48 H new ATOM 0 HB2 LEU A 37 1.690 -1.625 7.601 1.00 0.56 H new ATOM 0 HB3 LEU A 37 -0.022 -1.602 7.227 1.00 0.56 H new ATOM 0 HG LEU A 37 1.397 -2.625 9.646 1.00 0.81 H new ATOM 0 HD11 LEU A 37 -0.648 -1.490 10.683 1.00 1.21 H new ATOM 0 HD12 LEU A 37 0.171 -0.401 9.538 1.00 1.21 H new ATOM 0 HD13 LEU A 37 -1.312 -1.254 9.049 1.00 1.21 H new ATOM 0 HD21 LEU A 37 -0.557 -3.912 10.409 1.00 0.86 H new ATOM 0 HD22 LEU A 37 -1.316 -3.706 8.812 1.00 0.86 H new ATOM 0 HD23 LEU A 37 0.191 -4.639 8.968 1.00 0.86 H new ATOM 603 N ALA A 38 0.264 -2.674 4.488 1.00 0.55 N ATOM 604 CA ALA A 38 0.409 -2.220 3.116 1.00 0.56 C ATOM 605 C ALA A 38 -0.546 -1.062 2.878 1.00 0.65 C ATOM 606 O ALA A 38 -1.685 -1.075 3.351 1.00 1.03 O ATOM 607 CB ALA A 38 0.134 -3.375 2.153 1.00 0.60 C ATOM 0 H ALA A 38 -0.707 -2.713 4.798 1.00 0.55 H new ATOM 0 HA ALA A 38 1.428 -1.876 2.939 1.00 0.56 H new ATOM 0 HB1 ALA A 38 0.245 -3.027 1.126 1.00 0.60 H new ATOM 0 HB2 ALA A 38 0.842 -4.182 2.341 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -0.881 -3.741 2.304 1.00 0.60 H new ATOM 613 N ASP A 39 -0.051 -0.084 2.128 1.00 0.51 N ATOM 614 CA ASP A 39 -0.810 0.960 1.472 1.00 0.58 C ATOM 615 C ASP A 39 -0.299 1.047 0.033 1.00 0.76 C ATOM 616 O ASP A 39 0.605 0.304 -0.371 1.00 1.64 O ATOM 617 CB ASP A 39 -0.673 2.287 2.231 1.00 0.90 C ATOM 618 CG ASP A 39 0.703 2.913 2.073 1.00 2.25 C ATOM 619 OD1 ASP A 39 0.964 3.439 0.971 1.00 3.84 O ATOM 620 OD2 ASP A 39 1.477 2.880 3.051 1.00 2.63 O ATOM 0 H ASP A 39 0.951 0.001 1.955 1.00 0.51 H new ATOM 0 HA ASP A 39 -1.876 0.734 1.464 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -1.429 2.986 1.873 1.00 0.90 H new ATOM 0 HB3 ASP A 39 -0.871 2.118 3.289 1.00 0.90 H new ATOM 625 N PHE A 40 -0.888 1.934 -0.762 1.00 0.58 N ATOM 626 CA PHE A 40 -0.315 2.315 -2.034 1.00 0.64 C ATOM 627 C PHE A 40 -0.674 3.767 -2.304 1.00 0.74 C ATOM 628 O PHE A 40 -1.738 4.216 -1.879 1.00 0.97 O ATOM 629 CB PHE A 40 -0.779 1.354 -3.132 1.00 0.87 C ATOM 630 CG PHE A 40 -2.273 1.110 -3.207 1.00 0.90 C ATOM 631 CD1 PHE A 40 -3.123 2.101 -3.724 1.00 2.33 C ATOM 632 CD2 PHE A 40 -2.822 -0.092 -2.723 1.00 1.58 C ATOM 633 CE1 PHE A 40 -4.508 1.893 -3.763 1.00 2.57 C ATOM 634 CE2 PHE A 40 -4.211 -0.302 -2.773 1.00 1.65 C ATOM 635 CZ PHE A 40 -5.058 0.701 -3.269 1.00 1.50 C ATOM 0 H PHE A 40 -1.767 2.401 -0.540 1.00 0.58 H new ATOM 0 HA PHE A 40 0.772 2.240 -2.016 1.00 0.64 H new ATOM 0 HB2 PHE A 40 -0.445 1.743 -4.094 1.00 0.87 H new ATOM 0 HB3 PHE A 40 -0.280 0.396 -2.985 1.00 0.87 H new ATOM 0 HD1 PHE A 40 -2.708 3.027 -4.093 1.00 2.33 H new ATOM 0 HD2 PHE A 40 -2.176 -0.854 -2.313 1.00 1.58 H new ATOM 0 HE1 PHE A 40 -5.155 2.654 -4.175 1.00 2.57 H new ATOM 0 HE2 PHE A 40 -4.627 -1.237 -2.429 1.00 1.65 H new ATOM 0 HZ PHE A 40 -6.128 0.556 -3.270 1.00 1.50 H new ATOM 645 N ILE A 41 0.208 4.505 -2.984 1.00 0.76 N ATOM 646 CA ILE A 41 0.024 5.935 -3.203 1.00 0.92 C ATOM 647 C ILE A 41 0.529 6.367 -4.576 1.00 0.78 C ATOM 648 O ILE A 41 1.482 5.803 -5.112 1.00 0.80 O ATOM 649 CB ILE A 41 0.680 6.769 -2.092 1.00 1.34 C ATOM 650 CG1 ILE A 41 2.195 6.526 -1.999 1.00 1.67 C ATOM 651 CG2 ILE A 41 -0.002 6.527 -0.740 1.00 1.65 C ATOM 652 CD1 ILE A 41 2.848 7.568 -1.093 1.00 1.63 C ATOM 0 H ILE A 41 1.062 4.128 -3.394 1.00 0.76 H new ATOM 0 HA ILE A 41 -1.049 6.123 -3.171 1.00 0.92 H new ATOM 0 HB ILE A 41 0.541 7.817 -2.359 1.00 1.34 H new ATOM 0 HG12 ILE A 41 2.386 5.526 -1.610 1.00 1.67 H new ATOM 0 HG13 ILE A 41 2.638 6.571 -2.994 1.00 1.67 H new ATOM 0 HG21 ILE A 41 0.484 7.131 0.026 1.00 1.65 H new ATOM 0 HG22 ILE A 41 -1.054 6.805 -0.808 1.00 1.65 H new ATOM 0 HG23 ILE A 41 0.078 5.473 -0.476 1.00 1.65 H new ATOM 0 HD11 ILE A 41 3.921 7.381 -1.038 1.00 1.63 H new ATOM 0 HD12 ILE A 41 2.673 8.564 -1.499 1.00 1.63 H new ATOM 0 HD13 ILE A 41 2.417 7.503 -0.094 1.00 1.63 H new ATOM 664 N PHE A 42 -0.112 7.407 -5.104 1.00 0.76 N ATOM 665 CA PHE A 42 0.369 8.314 -6.131 1.00 0.71 C ATOM 666 C PHE A 42 0.496 9.651 -5.400 1.00 0.67 C ATOM 667 O PHE A 42 -0.191 9.823 -4.388 1.00 1.09 O ATOM 668 CB PHE A 42 -0.678 8.421 -7.255 1.00 0.74 C ATOM 669 CG PHE A 42 -2.131 8.557 -6.796 1.00 0.78 C ATOM 670 CD1 PHE A 42 -2.848 7.420 -6.371 1.00 1.72 C ATOM 671 CD2 PHE A 42 -2.783 9.806 -6.826 1.00 1.85 C ATOM 672 CE1 PHE A 42 -4.200 7.517 -6.009 1.00 1.71 C ATOM 673 CE2 PHE A 42 -4.147 9.900 -6.485 1.00 1.93 C ATOM 674 CZ PHE A 42 -4.858 8.754 -6.085 1.00 0.96 C ATOM 0 H PHE A 42 -1.054 7.652 -4.798 1.00 0.76 H new ATOM 0 HA PHE A 42 1.304 7.992 -6.590 1.00 0.71 H new ATOM 0 HB2 PHE A 42 -0.430 9.281 -7.877 1.00 0.74 H new ATOM 0 HB3 PHE A 42 -0.597 7.537 -7.887 1.00 0.74 H new ATOM 0 HD1 PHE A 42 -2.350 6.463 -6.324 1.00 1.72 H new ATOM 0 HD2 PHE A 42 -2.236 10.693 -7.111 1.00 1.85 H new ATOM 0 HE1 PHE A 42 -4.734 6.641 -5.672 1.00 1.71 H new ATOM 0 HE2 PHE A 42 -4.648 10.855 -6.531 1.00 1.93 H new ATOM 0 HZ PHE A 42 -5.907 8.826 -5.837 1.00 0.96 H new ATOM 684 N THR A 43 1.356 10.578 -5.835 1.00 0.74 N ATOM 685 CA THR A 43 1.512 11.840 -5.112 1.00 0.84 C ATOM 686 C THR A 43 1.254 13.012 -6.056 1.00 1.05 C ATOM 687 O THR A 43 0.241 13.012 -6.750 1.00 2.01 O ATOM 688 CB THR A 43 2.855 11.861 -4.359 1.00 1.09 C ATOM 689 OG1 THR A 43 3.962 12.050 -5.218 1.00 1.68 O ATOM 690 CG2 THR A 43 3.037 10.569 -3.558 1.00 1.93 C ATOM 0 H THR A 43 1.941 10.481 -6.665 1.00 0.74 H new ATOM 0 HA THR A 43 0.762 11.943 -4.328 1.00 0.84 H new ATOM 0 HB THR A 43 2.820 12.715 -3.683 1.00 1.09 H new ATOM 0 HG1 THR A 43 4.788 12.057 -4.691 1.00 1.68 H new ATOM 0 HG21 THR A 43 3.991 10.599 -3.031 1.00 1.93 H new ATOM 0 HG22 THR A 43 2.226 10.471 -2.836 1.00 1.93 H new ATOM 0 HG23 THR A 43 3.023 9.716 -4.236 1.00 1.93 H new ATOM 771 N CYS A 49 -5.396 18.101 -0.297 1.00 1.63 N ATOM 772 CA CYS A 49 -6.323 18.390 0.791 1.00 1.56 C ATOM 773 C CYS A 49 -6.462 17.235 1.797 1.00 1.27 C ATOM 774 O CYS A 49 -6.346 17.487 2.995 1.00 1.27 O ATOM 775 CB CYS A 49 -7.692 18.809 0.236 1.00 1.86 C ATOM 776 SG CYS A 49 -7.605 20.472 -0.472 1.00 2.25 S ATOM 0 HA CYS A 49 -5.896 19.223 1.350 1.00 1.56 H new ATOM 0 HB2 CYS A 49 -8.015 18.099 -0.526 1.00 1.86 H new ATOM 0 HB3 CYS A 49 -8.437 18.784 1.031 1.00 1.86 H new ATOM 0 HG CYS A 49 -8.772 20.807 -0.938 1.00 2.25 H new ATOM 782 N PRO A 50 -6.765 15.989 1.381 1.00 1.15 N ATOM 783 CA PRO A 50 -6.961 14.903 2.333 1.00 1.07 C ATOM 784 C PRO A 50 -5.634 14.502 2.996 1.00 0.84 C ATOM 785 O PRO A 50 -4.571 14.772 2.441 1.00 0.84 O ATOM 786 CB PRO A 50 -7.548 13.744 1.520 1.00 1.26 C ATOM 787 CG PRO A 50 -6.981 13.988 0.126 1.00 1.27 C ATOM 788 CD PRO A 50 -6.993 15.510 0.024 1.00 1.26 C ATOM 0 HA PRO A 50 -7.625 15.197 3.146 1.00 1.07 H new ATOM 0 HB2 PRO A 50 -7.243 12.776 1.917 1.00 1.26 H new ATOM 0 HB3 PRO A 50 -8.638 13.760 1.522 1.00 1.26 H new ATOM 0 HG2 PRO A 50 -5.975 13.583 0.021 1.00 1.27 H new ATOM 0 HG3 PRO A 50 -7.594 13.525 -0.648 1.00 1.27 H new ATOM 0 HD2 PRO A 50 -6.217 15.865 -0.654 1.00 1.26 H new ATOM 0 HD3 PRO A 50 -7.945 15.870 -0.365 1.00 1.26 H new ATOM 796 N PRO A 51 -5.681 13.824 4.157 1.00 0.83 N ATOM 797 CA PRO A 51 -4.513 13.353 4.908 1.00 0.79 C ATOM 798 C PRO A 51 -3.811 12.157 4.241 1.00 0.90 C ATOM 799 O PRO A 51 -3.563 11.125 4.868 1.00 1.48 O ATOM 800 CB PRO A 51 -5.073 13.020 6.295 1.00 0.93 C ATOM 801 CG PRO A 51 -6.524 12.639 6.029 1.00 1.08 C ATOM 802 CD PRO A 51 -6.904 13.599 4.912 1.00 1.02 C ATOM 0 HA PRO A 51 -3.725 14.105 4.953 1.00 0.79 H new ATOM 0 HB2 PRO A 51 -4.525 12.201 6.760 1.00 0.93 H new ATOM 0 HB3 PRO A 51 -5.002 13.874 6.969 1.00 0.93 H new ATOM 0 HG2 PRO A 51 -6.623 11.598 5.723 1.00 1.08 H new ATOM 0 HG3 PRO A 51 -7.149 12.772 6.912 1.00 1.08 H new ATOM 0 HD2 PRO A 51 -7.683 13.175 4.279 1.00 1.02 H new ATOM 0 HD3 PRO A 51 -7.294 14.534 5.314 1.00 1.02 H new ATOM 810 N MET A 52 -3.459 12.330 2.966 1.00 0.79 N ATOM 811 CA MET A 52 -3.151 11.286 1.997 1.00 0.97 C ATOM 812 C MET A 52 -2.196 10.236 2.546 1.00 1.12 C ATOM 813 O MET A 52 -2.511 9.047 2.531 1.00 1.67 O ATOM 814 CB MET A 52 -2.588 11.945 0.726 1.00 1.08 C ATOM 815 CG MET A 52 -2.310 10.960 -0.419 1.00 1.41 C ATOM 816 SD MET A 52 -3.789 10.238 -1.164 1.00 2.01 S ATOM 817 CE MET A 52 -3.050 9.185 -2.432 1.00 2.60 C ATOM 0 H MET A 52 -3.377 13.263 2.561 1.00 0.79 H new ATOM 0 HA MET A 52 -4.071 10.751 1.762 1.00 0.97 H new ATOM 0 HB2 MET A 52 -3.293 12.700 0.378 1.00 1.08 H new ATOM 0 HB3 MET A 52 -1.663 12.464 0.978 1.00 1.08 H new ATOM 0 HG2 MET A 52 -1.743 11.475 -1.194 1.00 1.41 H new ATOM 0 HG3 MET A 52 -1.678 10.155 -0.043 1.00 1.41 H new ATOM 0 HE1 MET A 52 -3.838 8.669 -2.981 1.00 2.60 H new ATOM 0 HE2 MET A 52 -2.469 9.798 -3.121 1.00 2.60 H new ATOM 0 HE3 MET A 52 -2.396 8.451 -1.960 1.00 2.60 H new ATOM 827 N THR A 53 -1.032 10.690 3.014 1.00 0.85 N ATOM 828 CA THR A 53 -0.011 9.831 3.577 1.00 0.93 C ATOM 829 C THR A 53 0.212 10.217 5.038 1.00 0.94 C ATOM 830 O THR A 53 1.237 9.872 5.609 1.00 1.23 O ATOM 831 CB THR A 53 1.214 9.913 2.644 1.00 1.18 C ATOM 832 OG1 THR A 53 0.803 9.379 1.402 1.00 1.48 O ATOM 833 CG2 THR A 53 2.466 9.155 3.087 1.00 1.25 C ATOM 0 H THR A 53 -0.777 11.678 3.009 1.00 0.85 H new ATOM 0 HA THR A 53 -0.287 8.777 3.621 1.00 0.93 H new ATOM 0 HB THR A 53 1.515 10.960 2.626 1.00 1.18 H new ATOM 0 HG1 THR A 53 -0.125 9.071 1.469 1.00 1.48 H new ATOM 0 HG21 THR A 53 3.255 9.292 2.347 1.00 1.25 H new ATOM 0 HG22 THR A 53 2.802 9.539 4.050 1.00 1.25 H new ATOM 0 HG23 THR A 53 2.235 8.094 3.180 1.00 1.25 H new ATOM 841 N ALA A 54 -0.747 10.920 5.661 1.00 0.92 N ATOM 842 CA ALA A 54 -0.630 11.348 7.051 1.00 1.01 C ATOM 843 C ALA A 54 -1.042 10.206 7.973 1.00 0.93 C ATOM 844 O ALA A 54 -0.343 9.898 8.936 1.00 0.92 O ATOM 845 CB ALA A 54 -1.451 12.608 7.319 1.00 1.25 C ATOM 0 H ALA A 54 -1.618 11.203 5.212 1.00 0.92 H new ATOM 0 HA ALA A 54 0.410 11.603 7.253 1.00 1.01 H new ATOM 0 HB1 ALA A 54 -1.341 12.899 8.364 1.00 1.25 H new ATOM 0 HB2 ALA A 54 -1.097 13.416 6.678 1.00 1.25 H new ATOM 0 HB3 ALA A 54 -2.502 12.410 7.106 1.00 1.25 H new ATOM 851 N HIS A 55 -2.170 9.553 7.674 1.00 0.93 N ATOM 852 CA HIS A 55 -2.647 8.472 8.530 1.00 0.93 C ATOM 853 C HIS A 55 -1.612 7.342 8.598 1.00 0.79 C ATOM 854 O HIS A 55 -1.258 6.888 9.685 1.00 0.80 O ATOM 855 CB HIS A 55 -4.039 8.012 8.085 1.00 1.02 C ATOM 856 CG HIS A 55 -5.112 9.070 8.217 1.00 1.09 C ATOM 857 ND1 HIS A 55 -6.387 8.985 7.701 1.00 1.35 N ATOM 858 CD2 HIS A 55 -5.059 10.206 8.984 1.00 1.56 C ATOM 859 CE1 HIS A 55 -7.081 10.041 8.161 1.00 1.42 C ATOM 860 NE2 HIS A 55 -6.311 10.820 8.935 1.00 1.36 N ATOM 0 H HIS A 55 -2.756 9.751 6.863 1.00 0.93 H new ATOM 0 HA HIS A 55 -2.761 8.835 9.551 1.00 0.93 H new ATOM 0 HB2 HIS A 55 -3.988 7.690 7.045 1.00 1.02 H new ATOM 0 HB3 HIS A 55 -4.328 7.142 8.674 1.00 1.02 H new ATOM 0 HD2 HIS A 55 -4.198 10.563 9.530 1.00 1.56 H new ATOM 0 HE1 HIS A 55 -8.119 10.236 7.937 1.00 1.42 H new ATOM 0 HE2 HIS A 55 -6.586 11.688 9.396 1.00 1.36 H new ATOM 868 N MET A 56 -1.059 6.935 7.451 1.00 0.70 N ATOM 869 CA MET A 56 0.134 6.103 7.415 1.00 0.62 C ATOM 870 C MET A 56 1.248 6.559 8.373 1.00 0.59 C ATOM 871 O MET A 56 1.895 5.695 8.955 1.00 0.63 O ATOM 872 CB MET A 56 0.603 5.886 5.971 1.00 0.60 C ATOM 873 CG MET A 56 -0.434 5.105 5.144 1.00 0.67 C ATOM 874 SD MET A 56 -1.538 6.099 4.114 1.00 1.49 S ATOM 875 CE MET A 56 -0.446 6.335 2.694 1.00 2.29 C ATOM 0 H MET A 56 -1.428 7.174 6.531 1.00 0.70 H new ATOM 0 HA MET A 56 -0.148 5.127 7.810 1.00 0.62 H new ATOM 0 HB2 MET A 56 0.790 6.851 5.501 1.00 0.60 H new ATOM 0 HB3 MET A 56 1.549 5.344 5.974 1.00 0.60 H new ATOM 0 HG2 MET A 56 0.097 4.404 4.501 1.00 0.67 H new ATOM 0 HG3 MET A 56 -1.042 4.512 5.827 1.00 0.67 H new ATOM 0 HE1 MET A 56 -0.825 7.148 2.075 1.00 2.29 H new ATOM 0 HE2 MET A 56 0.557 6.581 3.043 1.00 2.29 H new ATOM 0 HE3 MET A 56 -0.411 5.418 2.106 1.00 2.29 H new ATOM 885 N THR A 57 1.489 7.860 8.594 1.00 0.54 N ATOM 886 CA THR A 57 2.493 8.274 9.576 1.00 0.54 C ATOM 887 C THR A 57 2.047 8.100 11.014 1.00 0.59 C ATOM 888 O THR A 57 2.810 7.589 11.839 1.00 0.65 O ATOM 889 CB THR A 57 3.116 9.649 9.343 1.00 0.62 C ATOM 890 OG1 THR A 57 2.600 10.698 10.131 1.00 1.83 O ATOM 891 CG2 THR A 57 3.081 10.092 7.890 1.00 1.83 C ATOM 0 H THR A 57 1.013 8.625 8.117 1.00 0.54 H new ATOM 0 HA THR A 57 3.301 7.564 9.399 1.00 0.54 H new ATOM 0 HB THR A 57 4.144 9.474 9.659 1.00 0.62 H new ATOM 0 HG1 THR A 57 3.289 11.384 10.255 1.00 1.83 H new ATOM 0 HG21 THR A 57 3.540 11.076 7.799 1.00 1.83 H new ATOM 0 HG22 THR A 57 3.631 9.377 7.278 1.00 1.83 H new ATOM 0 HG23 THR A 57 2.047 10.141 7.549 1.00 1.83 H new ATOM 899 N ASP A 58 0.812 8.509 11.325 1.00 0.64 N ATOM 900 CA ASP A 58 0.279 8.243 12.651 1.00 0.73 C ATOM 901 C ASP A 58 0.450 6.763 12.966 1.00 0.76 C ATOM 902 O ASP A 58 0.899 6.387 14.048 1.00 0.83 O ATOM 903 CB ASP A 58 -1.183 8.632 12.797 1.00 0.83 C ATOM 904 CG ASP A 58 -1.685 8.092 14.130 1.00 1.62 C ATOM 905 OD1 ASP A 58 -1.209 8.559 15.190 1.00 2.54 O ATOM 906 OD2 ASP A 58 -2.380 7.053 14.122 1.00 2.99 O ATOM 0 H ASP A 58 0.185 9.009 10.694 1.00 0.64 H new ATOM 0 HA ASP A 58 0.837 8.859 13.356 1.00 0.73 H new ATOM 0 HB2 ASP A 58 -1.294 9.716 12.759 1.00 0.83 H new ATOM 0 HB3 ASP A 58 -1.770 8.222 11.975 1.00 0.83 H new ATOM 911 N LEU A 59 0.116 5.924 11.990 1.00 0.76 N ATOM 912 CA LEU A 59 0.257 4.492 12.173 1.00 0.81 C ATOM 913 C LEU A 59 1.729 4.100 12.196 1.00 0.80 C ATOM 914 O LEU A 59 2.083 3.250 13.003 1.00 0.89 O ATOM 915 CB LEU A 59 -0.585 3.662 11.194 1.00 0.84 C ATOM 916 CG LEU A 59 -1.978 3.345 11.764 1.00 1.12 C ATOM 917 CD1 LEU A 59 -2.897 4.542 11.554 1.00 1.43 C ATOM 918 CD2 LEU A 59 -2.585 2.091 11.126 1.00 1.35 C ATOM 0 H LEU A 59 -0.248 6.209 11.081 1.00 0.76 H new ATOM 0 HA LEU A 59 -0.161 4.245 13.149 1.00 0.81 H new ATOM 0 HB2 LEU A 59 -0.692 4.206 10.255 1.00 0.84 H new ATOM 0 HB3 LEU A 59 -0.065 2.731 10.966 1.00 0.84 H new ATOM 0 HG LEU A 59 -1.870 3.145 12.830 1.00 1.12 H new ATOM 0 HD11 LEU A 59 -3.884 4.318 11.958 1.00 1.43 H new ATOM 0 HD12 LEU A 59 -2.485 5.412 12.066 1.00 1.43 H new ATOM 0 HD13 LEU A 59 -2.980 4.754 10.488 1.00 1.43 H new ATOM 0 HD21 LEU A 59 -3.568 1.903 11.557 1.00 1.35 H new ATOM 0 HD22 LEU A 59 -2.683 2.241 10.051 1.00 1.35 H new ATOM 0 HD23 LEU A 59 -1.936 1.236 11.316 1.00 1.35 H new ATOM 930 N GLN A 60 2.602 4.725 11.397 1.00 0.76 N ATOM 931 CA GLN A 60 4.036 4.455 11.436 1.00 0.77 C ATOM 932 C GLN A 60 4.555 4.560 12.873 1.00 0.78 C ATOM 933 O GLN A 60 5.348 3.740 13.341 1.00 0.84 O ATOM 934 CB GLN A 60 4.822 5.368 10.479 1.00 0.77 C ATOM 935 CG GLN A 60 6.352 5.182 10.486 1.00 0.80 C ATOM 936 CD GLN A 60 6.841 3.778 10.126 1.00 1.54 C ATOM 937 OE1 GLN A 60 6.216 2.778 10.451 1.00 3.13 O ATOM 938 NE2 GLN A 60 7.992 3.665 9.480 1.00 1.47 N ATOM 0 H GLN A 60 2.331 5.428 10.710 1.00 0.76 H new ATOM 0 HA GLN A 60 4.196 3.435 11.087 1.00 0.77 H new ATOM 0 HB2 GLN A 60 4.458 5.200 9.465 1.00 0.77 H new ATOM 0 HB3 GLN A 60 4.599 6.405 10.730 1.00 0.77 H new ATOM 0 HG2 GLN A 60 6.791 5.893 9.786 1.00 0.80 H new ATOM 0 HG3 GLN A 60 6.728 5.437 11.477 1.00 0.80 H new ATOM 0 HE21 GLN A 60 8.510 4.501 9.211 1.00 1.47 H new ATOM 0 HE22 GLN A 60 8.360 2.742 9.252 1.00 1.47 H new ATOM 947 N LYS A 61 4.078 5.580 13.590 1.00 0.80 N ATOM 948 CA LYS A 61 4.421 5.776 14.990 1.00 0.85 C ATOM 949 C LYS A 61 4.079 4.549 15.845 1.00 0.87 C ATOM 950 O LYS A 61 4.865 4.167 16.709 1.00 1.07 O ATOM 951 CB LYS A 61 3.745 7.042 15.516 1.00 0.92 C ATOM 952 CG LYS A 61 4.429 7.557 16.788 1.00 1.10 C ATOM 953 CD LYS A 61 3.875 8.943 17.141 1.00 1.33 C ATOM 954 CE LYS A 61 4.570 9.504 18.389 1.00 2.41 C ATOM 955 NZ LYS A 61 4.090 10.860 18.727 1.00 3.10 N ATOM 0 H LYS A 61 3.447 6.287 13.214 1.00 0.80 H new ATOM 0 HA LYS A 61 5.501 5.903 15.063 1.00 0.85 H new ATOM 0 HB2 LYS A 61 3.772 7.816 14.749 1.00 0.92 H new ATOM 0 HB3 LYS A 61 2.695 6.836 15.724 1.00 0.92 H new ATOM 0 HG2 LYS A 61 4.257 6.864 17.612 1.00 1.10 H new ATOM 0 HG3 LYS A 61 5.507 7.612 16.637 1.00 1.10 H new ATOM 0 HD2 LYS A 61 4.020 9.623 16.301 1.00 1.33 H new ATOM 0 HD3 LYS A 61 2.801 8.877 17.316 1.00 1.33 H new ATOM 0 HE2 LYS A 61 4.395 8.836 19.233 1.00 2.41 H new ATOM 0 HE3 LYS A 61 5.647 9.531 18.223 1.00 2.41 H new ATOM 0 HZ1 LYS A 61 4.585 11.202 19.576 1.00 3.10 H new ATOM 0 HZ2 LYS A 61 4.280 11.504 17.933 1.00 3.10 H new ATOM 0 HZ3 LYS A 61 3.067 10.830 18.911 1.00 3.10 H new ATOM 969 N LYS A 62 2.913 3.936 15.615 1.00 0.80 N ATOM 970 CA LYS A 62 2.554 2.673 16.258 1.00 0.76 C ATOM 971 C LYS A 62 3.459 1.550 15.736 1.00 0.67 C ATOM 972 O LYS A 62 4.043 0.817 16.523 1.00 0.72 O ATOM 973 CB LYS A 62 1.062 2.342 16.048 1.00 0.79 C ATOM 974 CG LYS A 62 0.140 2.773 17.209 1.00 1.68 C ATOM 975 CD LYS A 62 -0.925 3.808 16.816 1.00 3.11 C ATOM 976 CE LYS A 62 -0.336 5.222 16.741 1.00 5.07 C ATOM 977 NZ LYS A 62 -1.335 6.227 16.312 1.00 6.86 N ATOM 0 H LYS A 62 2.199 4.299 14.983 1.00 0.80 H new ATOM 0 HA LYS A 62 2.708 2.770 17.333 1.00 0.76 H new ATOM 0 HB2 LYS A 62 0.721 2.825 15.132 1.00 0.79 H new ATOM 0 HB3 LYS A 62 0.959 1.267 15.899 1.00 0.79 H new ATOM 0 HG2 LYS A 62 -0.358 1.890 17.610 1.00 1.68 H new ATOM 0 HG3 LYS A 62 0.753 3.185 18.011 1.00 1.68 H new ATOM 0 HD2 LYS A 62 -1.355 3.540 15.851 1.00 3.11 H new ATOM 0 HD3 LYS A 62 -1.737 3.789 17.543 1.00 3.11 H new ATOM 0 HE2 LYS A 62 0.059 5.500 17.718 1.00 5.07 H new ATOM 0 HE3 LYS A 62 0.503 5.227 16.045 1.00 5.07 H new ATOM 0 HZ1 LYS A 62 -0.903 7.173 16.325 1.00 6.86 H new ATOM 0 HZ2 LYS A 62 -1.657 6.007 15.348 1.00 6.86 H new ATOM 0 HZ3 LYS A 62 -2.147 6.208 16.961 1.00 6.86 H new ATOM 991 N LEU A 63 3.597 1.421 14.416 1.00 0.68 N ATOM 992 CA LEU A 63 4.444 0.437 13.752 1.00 0.62 C ATOM 993 C LEU A 63 5.834 0.366 14.361 1.00 0.70 C ATOM 994 O LEU A 63 6.348 -0.731 14.524 1.00 0.66 O ATOM 995 CB LEU A 63 4.543 0.727 12.259 1.00 0.89 C ATOM 996 CG LEU A 63 3.629 -0.140 11.394 1.00 1.57 C ATOM 997 CD1 LEU A 63 4.184 -1.555 11.210 1.00 1.90 C ATOM 998 CD2 LEU A 63 2.180 -0.155 11.891 1.00 1.90 C ATOM 0 H LEU A 63 3.102 2.023 13.758 1.00 0.68 H new ATOM 0 HA LEU A 63 3.971 -0.534 13.898 1.00 0.62 H new ATOM 0 HB2 LEU A 63 4.301 1.776 12.087 1.00 0.89 H new ATOM 0 HB3 LEU A 63 5.575 0.581 11.939 1.00 0.89 H new ATOM 0 HG LEU A 63 3.610 0.328 10.410 1.00 1.57 H new ATOM 0 HD11 LEU A 63 3.502 -2.135 10.589 1.00 1.90 H new ATOM 0 HD12 LEU A 63 5.160 -1.503 10.727 1.00 1.90 H new ATOM 0 HD13 LEU A 63 4.286 -2.035 12.183 1.00 1.90 H new ATOM 0 HD21 LEU A 63 1.578 -0.787 11.238 1.00 1.90 H new ATOM 0 HD22 LEU A 63 2.148 -0.549 12.907 1.00 1.90 H new ATOM 0 HD23 LEU A 63 1.782 0.860 11.882 1.00 1.90 H new ATOM 1010 N LYS A 64 6.453 1.491 14.727 1.00 0.97 N ATOM 1011 CA LYS A 64 7.740 1.450 15.415 1.00 1.20 C ATOM 1012 C LYS A 64 7.757 0.491 16.616 1.00 1.21 C ATOM 1013 O LYS A 64 8.823 -0.041 16.921 1.00 1.42 O ATOM 1014 CB LYS A 64 8.200 2.856 15.826 1.00 1.49 C ATOM 1015 CG LYS A 64 9.103 3.493 14.759 1.00 1.99 C ATOM 1016 CD LYS A 64 10.613 3.283 14.996 1.00 1.31 C ATOM 1017 CE LYS A 64 11.142 1.846 14.837 1.00 1.90 C ATOM 1018 NZ LYS A 64 11.110 1.042 16.075 1.00 3.41 N ATOM 0 H LYS A 64 6.088 2.429 14.560 1.00 0.97 H new ATOM 0 HA LYS A 64 8.453 1.051 14.694 1.00 1.20 H new ATOM 0 HB2 LYS A 64 7.329 3.490 15.991 1.00 1.49 H new ATOM 0 HB3 LYS A 64 8.738 2.801 16.772 1.00 1.49 H new ATOM 0 HG2 LYS A 64 8.840 3.082 13.785 1.00 1.99 H new ATOM 0 HG3 LYS A 64 8.899 4.563 14.719 1.00 1.99 H new ATOM 0 HD2 LYS A 64 11.159 3.925 14.305 1.00 1.31 H new ATOM 0 HD3 LYS A 64 10.850 3.624 16.004 1.00 1.31 H new ATOM 0 HE2 LYS A 64 10.553 1.338 14.073 1.00 1.90 H new ATOM 0 HE3 LYS A 64 12.168 1.888 14.472 1.00 1.90 H new ATOM 0 HZ1 LYS A 64 11.950 0.429 16.113 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 11.106 1.675 16.900 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 10.252 0.454 16.085 1.00 3.41 H new ATOM 1032 N ALA A 65 6.633 0.300 17.305 1.00 1.11 N ATOM 1033 CA ALA A 65 6.470 -0.686 18.369 1.00 1.23 C ATOM 1034 C ALA A 65 6.361 -2.111 17.814 1.00 1.16 C ATOM 1035 O ALA A 65 6.918 -3.045 18.384 1.00 1.44 O ATOM 1036 CB ALA A 65 5.249 -0.340 19.227 1.00 1.22 C ATOM 0 H ALA A 65 5.787 0.843 17.132 1.00 1.11 H new ATOM 0 HA ALA A 65 7.362 -0.653 18.995 1.00 1.23 H new ATOM 0 HB1 ALA A 65 5.137 -1.082 20.017 1.00 1.22 H new ATOM 0 HB2 ALA A 65 5.384 0.646 19.672 1.00 1.22 H new ATOM 0 HB3 ALA A 65 4.355 -0.337 18.603 1.00 1.22 H new ATOM 1042 N GLU A 66 5.641 -2.271 16.701 1.00 0.86 N ATOM 1043 CA GLU A 66 5.355 -3.543 16.056 1.00 0.83 C ATOM 1044 C GLU A 66 6.559 -4.005 15.233 1.00 0.73 C ATOM 1045 O GLU A 66 6.634 -5.169 14.848 1.00 0.78 O ATOM 1046 CB GLU A 66 4.091 -3.433 15.179 1.00 0.73 C ATOM 1047 CG GLU A 66 2.947 -2.644 15.840 1.00 0.91 C ATOM 1048 CD GLU A 66 2.559 -3.200 17.205 1.00 1.19 C ATOM 1049 OE1 GLU A 66 2.335 -4.427 17.272 1.00 1.95 O ATOM 1050 OE2 GLU A 66 2.482 -2.384 18.149 1.00 2.12 O ATOM 0 H GLU A 66 5.226 -1.480 16.208 1.00 0.86 H new ATOM 0 HA GLU A 66 5.164 -4.291 16.826 1.00 0.83 H new ATOM 0 HB2 GLU A 66 4.354 -2.953 14.236 1.00 0.73 H new ATOM 0 HB3 GLU A 66 3.738 -4.436 14.939 1.00 0.73 H new ATOM 0 HG2 GLU A 66 3.246 -1.601 15.949 1.00 0.91 H new ATOM 0 HG3 GLU A 66 2.076 -2.659 15.185 1.00 0.91 H new ATOM 1057 N ASN A 67 7.491 -3.084 14.950 1.00 0.73 N ATOM 1058 CA ASN A 67 8.503 -3.172 13.906 1.00 0.71 C ATOM 1059 C ASN A 67 9.366 -4.425 13.936 1.00 0.89 C ATOM 1060 O ASN A 67 10.013 -4.677 12.926 1.00 1.42 O ATOM 1061 CB ASN A 67 9.405 -1.929 13.872 1.00 1.15 C ATOM 1062 CG ASN A 67 10.593 -1.995 14.831 1.00 1.59 C ATOM 1063 OD1 ASN A 67 10.486 -2.467 15.956 1.00 2.76 O ATOM 1064 ND2 ASN A 67 11.748 -1.476 14.417 1.00 2.74 N ATOM 0 H ASN A 67 7.556 -2.213 15.476 1.00 0.73 H new ATOM 0 HA ASN A 67 7.914 -3.231 12.991 1.00 0.71 H new ATOM 0 HB2 ASN A 67 9.778 -1.791 12.857 1.00 1.15 H new ATOM 0 HB3 ASN A 67 8.805 -1.051 14.113 1.00 1.15 H new ATOM 0 HD21 ASN A 67 12.556 -1.469 15.039 1.00 2.74 H new ATOM 0 HD22 ASN A 67 11.824 -1.086 13.478 1.00 2.74 H new ATOM 1071 N ILE A 68 9.398 -5.132 15.077 1.00 0.99 N ATOM 1072 CA ILE A 68 10.249 -6.279 15.430 1.00 1.27 C ATOM 1073 C ILE A 68 10.957 -6.855 14.196 1.00 1.03 C ATOM 1074 O ILE A 68 12.158 -6.653 14.029 1.00 0.99 O ATOM 1075 CB ILE A 68 9.446 -7.326 16.237 1.00 1.63 C ATOM 1076 CG1 ILE A 68 9.280 -6.919 17.716 1.00 1.99 C ATOM 1077 CG2 ILE A 68 10.129 -8.705 16.259 1.00 1.80 C ATOM 1078 CD1 ILE A 68 8.503 -5.626 17.965 1.00 2.09 C ATOM 0 H ILE A 68 8.772 -4.893 15.846 1.00 0.99 H new ATOM 0 HA ILE A 68 11.049 -5.936 16.086 1.00 1.27 H new ATOM 0 HB ILE A 68 8.483 -7.376 15.729 1.00 1.63 H new ATOM 0 HG12 ILE A 68 8.777 -7.730 18.243 1.00 1.99 H new ATOM 0 HG13 ILE A 68 10.271 -6.817 18.159 1.00 1.99 H new ATOM 0 HG21 ILE A 68 9.523 -9.402 16.839 1.00 1.80 H new ATOM 0 HG22 ILE A 68 10.233 -9.076 15.239 1.00 1.80 H new ATOM 0 HG23 ILE A 68 11.115 -8.615 16.715 1.00 1.80 H new ATOM 0 HD11 ILE A 68 8.447 -5.436 19.037 1.00 2.09 H new ATOM 0 HD12 ILE A 68 9.012 -4.796 17.475 1.00 2.09 H new ATOM 0 HD13 ILE A 68 7.496 -5.723 17.561 1.00 2.09 H new ATOM 1090 N ASP A 69 10.188 -7.494 13.310 1.00 1.03 N ATOM 1091 CA ASP A 69 10.450 -7.473 11.879 1.00 0.94 C ATOM 1092 C ASP A 69 9.104 -7.457 11.165 1.00 1.04 C ATOM 1093 O ASP A 69 8.590 -8.480 10.725 1.00 1.93 O ATOM 1094 CB ASP A 69 11.326 -8.623 11.427 1.00 1.23 C ATOM 1095 CG ASP A 69 11.841 -8.422 9.998 1.00 1.38 C ATOM 1096 OD1 ASP A 69 11.301 -7.539 9.291 1.00 1.76 O ATOM 1097 OD2 ASP A 69 12.801 -9.139 9.645 1.00 2.43 O ATOM 0 H ASP A 69 9.367 -8.039 13.571 1.00 1.03 H new ATOM 0 HA ASP A 69 11.019 -6.578 11.625 1.00 0.94 H new ATOM 0 HB2 ASP A 69 12.172 -8.724 12.107 1.00 1.23 H new ATOM 0 HB3 ASP A 69 10.761 -9.553 11.482 1.00 1.23 H new ATOM 1102 N VAL A 70 8.497 -6.279 11.128 1.00 0.72 N ATOM 1103 CA VAL A 70 7.375 -5.976 10.261 1.00 0.57 C ATOM 1104 C VAL A 70 7.624 -4.597 9.664 1.00 0.43 C ATOM 1105 O VAL A 70 8.322 -3.767 10.253 1.00 0.50 O ATOM 1106 CB VAL A 70 6.010 -6.076 10.972 1.00 0.58 C ATOM 1107 CG1 VAL A 70 5.890 -7.288 11.903 1.00 0.78 C ATOM 1108 CG2 VAL A 70 5.619 -4.807 11.734 1.00 0.52 C ATOM 0 H VAL A 70 8.779 -5.493 11.714 1.00 0.72 H new ATOM 0 HA VAL A 70 7.313 -6.724 9.471 1.00 0.57 H new ATOM 0 HB VAL A 70 5.306 -6.208 10.150 1.00 0.58 H new ATOM 0 HG11 VAL A 70 4.904 -7.293 12.368 1.00 0.78 H new ATOM 0 HG12 VAL A 70 6.025 -8.204 11.327 1.00 0.78 H new ATOM 0 HG13 VAL A 70 6.656 -7.230 12.676 1.00 0.78 H new ATOM 0 HG21 VAL A 70 4.648 -4.952 12.208 1.00 0.52 H new ATOM 0 HG22 VAL A 70 6.368 -4.596 12.498 1.00 0.52 H new ATOM 0 HG23 VAL A 70 5.562 -3.969 11.040 1.00 0.52 H new ATOM 1118 N ARG A 71 7.040 -4.353 8.495 1.00 0.50 N ATOM 1119 CA ARG A 71 7.146 -3.099 7.780 1.00 0.56 C ATOM 1120 C ARG A 71 5.755 -2.650 7.384 1.00 0.80 C ATOM 1121 O ARG A 71 4.818 -3.451 7.355 1.00 1.27 O ATOM 1122 CB ARG A 71 8.038 -3.290 6.546 1.00 0.84 C ATOM 1123 CG ARG A 71 9.524 -3.277 6.916 1.00 0.78 C ATOM 1124 CD ARG A 71 10.403 -3.668 5.726 1.00 1.25 C ATOM 1125 NE ARG A 71 10.635 -5.120 5.659 1.00 1.25 N ATOM 1126 CZ ARG A 71 11.476 -5.688 4.780 1.00 0.89 C ATOM 1127 NH1 ARG A 71 12.044 -4.945 3.822 1.00 1.01 N ATOM 1128 NH2 ARG A 71 11.753 -6.995 4.849 1.00 1.12 N ATOM 0 H ARG A 71 6.466 -5.044 8.012 1.00 0.50 H new ATOM 0 HA ARG A 71 7.599 -2.333 8.410 1.00 0.56 H new ATOM 0 HB2 ARG A 71 7.792 -4.235 6.061 1.00 0.84 H new ATOM 0 HB3 ARG A 71 7.835 -2.499 5.824 1.00 0.84 H new ATOM 0 HG2 ARG A 71 9.804 -2.283 7.265 1.00 0.78 H new ATOM 0 HG3 ARG A 71 9.700 -3.966 7.742 1.00 0.78 H new ATOM 0 HD2 ARG A 71 9.930 -3.334 4.802 1.00 1.25 H new ATOM 0 HD3 ARG A 71 11.360 -3.152 5.799 1.00 1.25 H new ATOM 0 HE ARG A 71 10.133 -5.723 6.311 1.00 1.25 H new ATOM 0 HH11 ARG A 71 11.838 -3.948 3.760 1.00 1.01 H new ATOM 0 HH12 ARG A 71 12.683 -5.376 3.154 1.00 1.01 H new ATOM 0 HH21 ARG A 71 11.324 -7.570 5.574 1.00 1.12 H new ATOM 0 HH22 ARG A 71 12.393 -7.417 4.176 1.00 1.12 H new ATOM 1142 N ILE A 72 5.639 -1.362 7.069 1.00 0.53 N ATOM 1143 CA ILE A 72 4.509 -0.836 6.354 1.00 0.52 C ATOM 1144 C ILE A 72 4.969 -0.632 4.904 1.00 0.51 C ATOM 1145 O ILE A 72 5.706 0.309 4.614 1.00 0.63 O ATOM 1146 CB ILE A 72 4.002 0.426 7.070 1.00 0.50 C ATOM 1147 CG1 ILE A 72 2.846 1.063 6.285 1.00 0.55 C ATOM 1148 CG2 ILE A 72 5.099 1.449 7.433 1.00 0.47 C ATOM 1149 CD1 ILE A 72 2.344 2.278 7.044 1.00 1.49 C ATOM 0 H ILE A 72 6.338 -0.660 7.310 1.00 0.53 H new ATOM 0 HA ILE A 72 3.649 -1.505 6.333 1.00 0.52 H new ATOM 0 HB ILE A 72 3.627 0.091 8.037 1.00 0.50 H new ATOM 0 HG12 ILE A 72 3.182 1.353 5.289 1.00 0.55 H new ATOM 0 HG13 ILE A 72 2.039 0.342 6.152 1.00 0.55 H new ATOM 0 HG21 ILE A 72 4.647 2.305 7.934 1.00 0.47 H new ATOM 0 HG22 ILE A 72 5.826 0.982 8.097 1.00 0.47 H new ATOM 0 HG23 ILE A 72 5.600 1.783 6.524 1.00 0.47 H new ATOM 0 HD11 ILE A 72 1.523 2.737 6.494 1.00 1.49 H new ATOM 0 HD12 ILE A 72 1.994 1.972 8.030 1.00 1.49 H new ATOM 0 HD13 ILE A 72 3.154 2.999 7.154 1.00 1.49 H new ATOM 1161 N ILE A 73 4.613 -1.533 3.984 1.00 0.42 N ATOM 1162 CA ILE A 73 4.967 -1.336 2.587 1.00 0.41 C ATOM 1163 C ILE A 73 4.001 -0.314 2.012 1.00 0.42 C ATOM 1164 O ILE A 73 2.875 -0.167 2.482 1.00 0.56 O ATOM 1165 CB ILE A 73 4.928 -2.683 1.848 1.00 0.43 C ATOM 1166 CG1 ILE A 73 6.308 -3.350 1.841 1.00 0.43 C ATOM 1167 CG2 ILE A 73 4.429 -2.600 0.399 1.00 0.47 C ATOM 1168 CD1 ILE A 73 6.872 -3.541 3.249 1.00 0.42 C ATOM 0 H ILE A 73 4.091 -2.387 4.181 1.00 0.42 H new ATOM 0 HA ILE A 73 5.982 -0.955 2.474 1.00 0.41 H new ATOM 0 HB ILE A 73 4.207 -3.277 2.409 1.00 0.43 H new ATOM 0 HG12 ILE A 73 6.237 -4.319 1.347 1.00 0.43 H new ATOM 0 HG13 ILE A 73 6.999 -2.743 1.256 1.00 0.43 H new ATOM 0 HG21 ILE A 73 4.434 -3.595 -0.045 1.00 0.47 H new ATOM 0 HG22 ILE A 73 3.414 -2.202 0.386 1.00 0.47 H new ATOM 0 HG23 ILE A 73 5.084 -1.943 -0.174 1.00 0.47 H new ATOM 0 HD11 ILE A 73 7.851 -4.017 3.187 1.00 0.42 H new ATOM 0 HD12 ILE A 73 6.971 -2.571 3.736 1.00 0.42 H new ATOM 0 HD13 ILE A 73 6.198 -4.171 3.829 1.00 0.42 H new ATOM 1180 N SER A 74 4.448 0.405 0.990 1.00 0.42 N ATOM 1181 CA SER A 74 3.648 1.453 0.402 1.00 0.46 C ATOM 1182 C SER A 74 3.965 1.459 -1.089 1.00 0.49 C ATOM 1183 O SER A 74 5.037 1.917 -1.478 1.00 0.47 O ATOM 1184 CB SER A 74 4.074 2.746 1.098 1.00 0.50 C ATOM 1185 OG SER A 74 3.503 3.910 0.542 1.00 1.50 O ATOM 0 H SER A 74 5.362 0.276 0.556 1.00 0.42 H new ATOM 0 HA SER A 74 2.572 1.325 0.522 1.00 0.46 H new ATOM 0 HB2 SER A 74 3.801 2.687 2.152 1.00 0.50 H new ATOM 0 HB3 SER A 74 5.160 2.830 1.055 1.00 0.50 H new ATOM 0 HG SER A 74 2.539 3.779 0.427 1.00 1.50 H new ATOM 1191 N PHE A 75 3.125 0.861 -1.937 1.00 0.68 N ATOM 1192 CA PHE A 75 3.523 0.695 -3.332 1.00 0.72 C ATOM 1193 C PHE A 75 3.106 1.871 -4.223 1.00 0.56 C ATOM 1194 O PHE A 75 2.139 2.584 -3.954 1.00 0.55 O ATOM 1195 CB PHE A 75 3.157 -0.688 -3.871 1.00 0.98 C ATOM 1196 CG PHE A 75 1.687 -0.996 -4.042 1.00 0.72 C ATOM 1197 CD1 PHE A 75 1.017 -0.577 -5.207 1.00 1.94 C ATOM 1198 CD2 PHE A 75 1.064 -1.902 -3.163 1.00 2.04 C ATOM 1199 CE1 PHE A 75 -0.233 -1.128 -5.535 1.00 2.10 C ATOM 1200 CE2 PHE A 75 -0.165 -2.484 -3.514 1.00 2.01 C ATOM 1201 CZ PHE A 75 -0.796 -2.121 -4.716 1.00 1.01 C ATOM 0 H PHE A 75 2.203 0.498 -1.695 1.00 0.68 H new ATOM 0 HA PHE A 75 4.612 0.728 -3.362 1.00 0.72 H new ATOM 0 HB2 PHE A 75 3.643 -0.813 -4.839 1.00 0.98 H new ATOM 0 HB3 PHE A 75 3.583 -1.435 -3.201 1.00 0.98 H new ATOM 0 HD1 PHE A 75 1.464 0.168 -5.849 1.00 1.94 H new ATOM 0 HD2 PHE A 75 1.530 -2.149 -2.221 1.00 2.04 H new ATOM 0 HE1 PHE A 75 -0.760 -0.789 -6.415 1.00 2.10 H new ATOM 0 HE2 PHE A 75 -0.625 -3.210 -2.860 1.00 2.01 H new ATOM 0 HZ PHE A 75 -1.715 -2.606 -5.011 1.00 1.01 H new ATOM 1211 N SER A 76 3.869 2.069 -5.298 1.00 0.58 N ATOM 1212 CA SER A 76 3.720 3.179 -6.221 1.00 0.58 C ATOM 1213 C SER A 76 2.532 2.916 -7.137 1.00 0.52 C ATOM 1214 O SER A 76 2.573 2.021 -7.980 1.00 0.63 O ATOM 1215 CB SER A 76 5.003 3.305 -7.053 1.00 0.90 C ATOM 1216 OG SER A 76 4.964 4.487 -7.830 1.00 1.38 O ATOM 0 H SER A 76 4.629 1.438 -5.553 1.00 0.58 H new ATOM 0 HA SER A 76 3.548 4.105 -5.672 1.00 0.58 H new ATOM 0 HB2 SER A 76 5.872 3.321 -6.395 1.00 0.90 H new ATOM 0 HB3 SER A 76 5.111 2.437 -7.703 1.00 0.90 H new ATOM 0 HG SER A 76 5.874 4.732 -8.099 1.00 1.38 H new ATOM 1222 N VAL A 77 1.489 3.728 -7.006 1.00 0.65 N ATOM 1223 CA VAL A 77 0.474 3.837 -8.026 1.00 0.58 C ATOM 1224 C VAL A 77 1.067 4.728 -9.111 1.00 0.59 C ATOM 1225 O VAL A 77 1.147 5.943 -8.954 1.00 0.74 O ATOM 1226 CB VAL A 77 -0.806 4.442 -7.446 1.00 0.64 C ATOM 1227 CG1 VAL A 77 -1.882 4.564 -8.536 1.00 0.80 C ATOM 1228 CG2 VAL A 77 -1.359 3.576 -6.315 1.00 0.79 C ATOM 0 H VAL A 77 1.331 4.322 -6.192 1.00 0.65 H new ATOM 0 HA VAL A 77 0.198 2.862 -8.429 1.00 0.58 H new ATOM 0 HB VAL A 77 -0.554 5.428 -7.057 1.00 0.64 H new ATOM 0 HG11 VAL A 77 -2.786 4.996 -8.108 1.00 0.80 H new ATOM 0 HG12 VAL A 77 -1.517 5.207 -9.337 1.00 0.80 H new ATOM 0 HG13 VAL A 77 -2.107 3.576 -8.938 1.00 0.80 H new ATOM 0 HG21 VAL A 77 -2.269 4.029 -5.921 1.00 0.79 H new ATOM 0 HG22 VAL A 77 -1.586 2.580 -6.697 1.00 0.79 H new ATOM 0 HG23 VAL A 77 -0.618 3.500 -5.519 1.00 0.79 H new ATOM 1238 N ASP A 78 1.491 4.089 -10.197 1.00 0.75 N ATOM 1239 CA ASP A 78 1.982 4.715 -11.411 1.00 0.79 C ATOM 1240 C ASP A 78 3.407 5.274 -11.293 1.00 0.77 C ATOM 1241 O ASP A 78 3.625 6.489 -11.287 1.00 0.94 O ATOM 1242 CB ASP A 78 0.972 5.712 -12.004 1.00 0.92 C ATOM 1243 CG ASP A 78 1.357 6.091 -13.424 1.00 1.16 C ATOM 1244 OD1 ASP A 78 2.507 5.788 -13.804 1.00 2.27 O ATOM 1245 OD2 ASP A 78 0.506 6.660 -14.136 1.00 1.92 O ATOM 0 H ASP A 78 1.500 3.071 -10.253 1.00 0.75 H new ATOM 0 HA ASP A 78 2.074 3.911 -12.141 1.00 0.79 H new ATOM 0 HB2 ASP A 78 -0.026 5.273 -11.998 1.00 0.92 H new ATOM 0 HB3 ASP A 78 0.930 6.607 -11.383 1.00 0.92 H new ATOM 1250 N PRO A 79 4.409 4.381 -11.321 1.00 0.74 N ATOM 1251 CA PRO A 79 5.785 4.765 -11.550 1.00 0.92 C ATOM 1252 C PRO A 79 6.086 4.975 -13.045 1.00 1.01 C ATOM 1253 O PRO A 79 7.257 5.116 -13.393 1.00 1.55 O ATOM 1254 CB PRO A 79 6.605 3.601 -10.985 1.00 0.99 C ATOM 1255 CG PRO A 79 5.722 2.395 -11.306 1.00 0.89 C ATOM 1256 CD PRO A 79 4.306 2.941 -11.122 1.00 0.73 C ATOM 0 HA PRO A 79 6.021 5.717 -11.074 1.00 0.92 H new ATOM 0 HB2 PRO A 79 7.584 3.526 -11.458 1.00 0.99 H new ATOM 0 HB3 PRO A 79 6.776 3.706 -9.914 1.00 0.99 H new ATOM 0 HG2 PRO A 79 5.886 2.035 -12.322 1.00 0.89 H new ATOM 0 HG3 PRO A 79 5.922 1.559 -10.635 1.00 0.89 H new ATOM 0 HD2 PRO A 79 3.618 2.495 -11.840 1.00 0.73 H new ATOM 0 HD3 PRO A 79 3.923 2.710 -10.128 1.00 0.73 H new ATOM 1264 N GLU A 80 5.091 5.010 -13.943 1.00 0.71 N ATOM 1265 CA GLU A 80 5.280 5.427 -15.316 1.00 0.84 C ATOM 1266 C GLU A 80 5.396 6.951 -15.248 1.00 0.77 C ATOM 1267 O GLU A 80 6.414 7.552 -15.608 1.00 0.89 O ATOM 1268 CB GLU A 80 4.038 4.972 -16.108 1.00 1.00 C ATOM 1269 CG GLU A 80 4.254 4.810 -17.603 1.00 1.69 C ATOM 1270 CD GLU A 80 2.931 4.417 -18.245 1.00 2.06 C ATOM 1271 OE1 GLU A 80 2.431 3.312 -17.935 1.00 2.54 O ATOM 1272 OE2 GLU A 80 2.291 5.257 -18.915 1.00 2.83 O ATOM 0 H GLU A 80 4.131 4.746 -13.723 1.00 0.71 H new ATOM 0 HA GLU A 80 6.158 5.006 -15.805 1.00 0.84 H new ATOM 0 HB2 GLU A 80 3.694 4.021 -15.701 1.00 1.00 H new ATOM 0 HB3 GLU A 80 3.238 5.695 -15.948 1.00 1.00 H new ATOM 0 HG2 GLU A 80 4.622 5.740 -18.035 1.00 1.69 H new ATOM 0 HG3 GLU A 80 5.009 4.048 -17.796 1.00 1.69 H new ATOM 1279 N ASN A 81 4.345 7.566 -14.701 1.00 0.77 N ATOM 1280 CA ASN A 81 4.214 8.998 -14.541 1.00 0.97 C ATOM 1281 C ASN A 81 5.020 9.479 -13.347 1.00 0.99 C ATOM 1282 O ASN A 81 5.960 10.248 -13.553 1.00 1.53 O ATOM 1283 CB ASN A 81 2.741 9.417 -14.447 1.00 1.30 C ATOM 1284 CG ASN A 81 2.072 9.370 -15.819 1.00 1.75 C ATOM 1285 OD1 ASN A 81 2.368 10.197 -16.676 1.00 2.71 O ATOM 1286 ND2 ASN A 81 1.180 8.417 -16.056 1.00 2.31 N ATOM 0 H ASN A 81 3.538 7.053 -14.348 1.00 0.77 H new ATOM 0 HA ASN A 81 4.622 9.480 -15.429 1.00 0.97 H new ATOM 0 HB2 ASN A 81 2.214 8.756 -13.758 1.00 1.30 H new ATOM 0 HB3 ASN A 81 2.671 10.425 -14.038 1.00 1.30 H new ATOM 0 HD21 ASN A 81 0.724 8.360 -16.967 1.00 2.31 H new ATOM 0 HD22 ASN A 81 0.950 7.741 -15.328 1.00 2.31 H new ATOM 1293 N ASP A 82 4.703 9.052 -12.120 1.00 0.91 N ATOM 1294 CA ASP A 82 5.278 9.714 -10.951 1.00 1.00 C ATOM 1295 C ASP A 82 6.782 9.448 -10.895 1.00 1.25 C ATOM 1296 O ASP A 82 7.595 10.341 -11.114 1.00 2.74 O ATOM 1297 CB ASP A 82 4.559 9.290 -9.643 1.00 1.03 C ATOM 1298 CG ASP A 82 3.971 10.465 -8.860 1.00 1.42 C ATOM 1299 OD1 ASP A 82 4.423 11.600 -9.129 1.00 2.49 O ATOM 1300 OD2 ASP A 82 3.100 10.216 -7.992 1.00 2.05 O ATOM 0 H ASP A 82 4.072 8.277 -11.916 1.00 0.91 H new ATOM 0 HA ASP A 82 5.126 10.789 -11.046 1.00 1.00 H new ATOM 0 HB2 ASP A 82 3.760 8.591 -9.888 1.00 1.03 H new ATOM 0 HB3 ASP A 82 5.265 8.757 -9.006 1.00 1.03 H new ATOM 1305 N LYS A 83 7.122 8.182 -10.656 1.00 0.77 N ATOM 1306 CA LYS A 83 8.466 7.641 -10.440 1.00 0.76 C ATOM 1307 C LYS A 83 8.936 7.891 -8.995 1.00 0.65 C ATOM 1308 O LYS A 83 8.591 8.907 -8.393 1.00 0.66 O ATOM 1309 CB LYS A 83 9.465 8.062 -11.529 1.00 0.98 C ATOM 1310 CG LYS A 83 9.063 7.445 -12.875 1.00 1.76 C ATOM 1311 CD LYS A 83 9.872 7.960 -14.072 1.00 1.93 C ATOM 1312 CE LYS A 83 9.501 9.379 -14.527 1.00 1.88 C ATOM 1313 NZ LYS A 83 8.075 9.512 -14.891 1.00 2.80 N ATOM 0 H LYS A 83 6.412 7.451 -10.604 1.00 0.77 H new ATOM 0 HA LYS A 83 8.415 6.558 -10.550 1.00 0.76 H new ATOM 0 HB2 LYS A 83 9.490 9.149 -11.611 1.00 0.98 H new ATOM 0 HB3 LYS A 83 10.470 7.739 -11.257 1.00 0.98 H new ATOM 0 HG2 LYS A 83 9.176 6.363 -12.814 1.00 1.76 H new ATOM 0 HG3 LYS A 83 8.006 7.645 -13.052 1.00 1.76 H new ATOM 0 HD2 LYS A 83 10.931 7.940 -13.815 1.00 1.93 H new ATOM 0 HD3 LYS A 83 9.734 7.276 -14.909 1.00 1.93 H new ATOM 0 HE2 LYS A 83 9.734 10.084 -13.729 1.00 1.88 H new ATOM 0 HE3 LYS A 83 10.117 9.653 -15.384 1.00 1.88 H new ATOM 0 HZ1 LYS A 83 7.988 10.099 -15.745 1.00 2.80 H new ATOM 0 HZ2 LYS A 83 7.675 8.570 -15.076 1.00 2.80 H new ATOM 0 HZ3 LYS A 83 7.557 9.960 -14.108 1.00 2.80 H new ATOM 1327 N PRO A 84 9.693 6.953 -8.397 1.00 0.63 N ATOM 1328 CA PRO A 84 9.942 6.875 -6.959 1.00 0.60 C ATOM 1329 C PRO A 84 10.360 8.174 -6.281 1.00 0.59 C ATOM 1330 O PRO A 84 9.985 8.430 -5.140 1.00 0.63 O ATOM 1331 CB PRO A 84 11.023 5.808 -6.769 1.00 0.60 C ATOM 1332 CG PRO A 84 11.522 5.501 -8.178 1.00 0.68 C ATOM 1333 CD PRO A 84 10.301 5.798 -9.036 1.00 0.71 C ATOM 0 HA PRO A 84 8.996 6.631 -6.475 1.00 0.60 H new ATOM 0 HB2 PRO A 84 11.831 6.172 -6.134 1.00 0.60 H new ATOM 0 HB3 PRO A 84 10.618 4.916 -6.290 1.00 0.60 H new ATOM 0 HG2 PRO A 84 12.372 6.126 -8.452 1.00 0.68 H new ATOM 0 HG3 PRO A 84 11.844 4.464 -8.277 1.00 0.68 H new ATOM 0 HD2 PRO A 84 10.581 6.014 -10.067 1.00 0.71 H new ATOM 0 HD3 PRO A 84 9.616 4.950 -9.062 1.00 0.71 H new ATOM 1341 N LYS A 85 11.177 8.995 -6.938 1.00 0.61 N ATOM 1342 CA LYS A 85 11.670 10.202 -6.304 1.00 0.75 C ATOM 1343 C LYS A 85 10.537 11.214 -6.064 1.00 0.58 C ATOM 1344 O LYS A 85 10.668 12.105 -5.221 1.00 0.52 O ATOM 1345 CB LYS A 85 12.844 10.776 -7.096 1.00 1.10 C ATOM 1346 CG LYS A 85 14.208 10.621 -6.386 1.00 1.67 C ATOM 1347 CD LYS A 85 15.011 9.365 -6.785 1.00 2.59 C ATOM 1348 CE LYS A 85 14.489 7.988 -6.326 1.00 4.32 C ATOM 1349 NZ LYS A 85 14.802 7.637 -4.921 1.00 5.71 N ATOM 0 H LYS A 85 11.504 8.845 -7.893 1.00 0.61 H new ATOM 0 HA LYS A 85 12.052 9.953 -5.314 1.00 0.75 H new ATOM 0 HB2 LYS A 85 12.892 10.283 -8.067 1.00 1.10 H new ATOM 0 HB3 LYS A 85 12.661 11.834 -7.285 1.00 1.10 H new ATOM 0 HG2 LYS A 85 14.813 11.503 -6.597 1.00 1.67 H new ATOM 0 HG3 LYS A 85 14.040 10.600 -5.309 1.00 1.67 H new ATOM 0 HD2 LYS A 85 15.083 9.348 -7.872 1.00 2.59 H new ATOM 0 HD3 LYS A 85 16.024 9.482 -6.400 1.00 2.59 H new ATOM 0 HE2 LYS A 85 13.407 7.963 -6.459 1.00 4.32 H new ATOM 0 HE3 LYS A 85 14.908 7.222 -6.978 1.00 4.32 H new ATOM 0 HZ1 LYS A 85 15.028 6.624 -4.858 1.00 5.71 H new ATOM 0 HZ2 LYS A 85 15.618 8.194 -4.598 1.00 5.71 H new ATOM 0 HZ3 LYS A 85 13.980 7.846 -4.319 1.00 5.71 H new ATOM 1363 N GLN A 86 9.421 11.112 -6.790 1.00 0.59 N ATOM 1364 CA GLN A 86 8.209 11.856 -6.470 1.00 0.59 C ATOM 1365 C GLN A 86 7.656 11.377 -5.131 1.00 0.54 C ATOM 1366 O GLN A 86 7.340 12.189 -4.260 1.00 0.57 O ATOM 1367 CB GLN A 86 7.194 11.737 -7.602 1.00 0.67 C ATOM 1368 CG GLN A 86 7.732 12.307 -8.921 1.00 1.30 C ATOM 1369 CD GLN A 86 8.110 13.775 -8.804 1.00 1.84 C ATOM 1370 OE1 GLN A 86 9.278 14.118 -8.614 1.00 3.04 O ATOM 1371 NE2 GLN A 86 7.119 14.655 -8.859 1.00 1.86 N ATOM 0 H GLN A 86 9.336 10.513 -7.611 1.00 0.59 H new ATOM 0 HA GLN A 86 8.440 12.917 -6.371 1.00 0.59 H new ATOM 0 HB2 GLN A 86 6.929 10.689 -7.742 1.00 0.67 H new ATOM 0 HB3 GLN A 86 6.280 12.263 -7.326 1.00 0.67 H new ATOM 0 HG2 GLN A 86 8.605 11.733 -9.233 1.00 1.30 H new ATOM 0 HG3 GLN A 86 6.978 12.189 -9.699 1.00 1.30 H new ATOM 0 HE21 GLN A 86 6.163 14.337 -9.018 1.00 1.86 H new ATOM 0 HE22 GLN A 86 7.313 15.650 -8.742 1.00 1.86 H new ATOM 1380 N LEU A 87 7.611 10.056 -4.940 1.00 0.51 N ATOM 1381 CA LEU A 87 7.241 9.488 -3.658 1.00 0.51 C ATOM 1382 C LEU A 87 8.195 10.005 -2.579 1.00 0.48 C ATOM 1383 O LEU A 87 7.735 10.485 -1.550 1.00 0.50 O ATOM 1384 CB LEU A 87 7.183 7.952 -3.679 1.00 0.53 C ATOM 1385 CG LEU A 87 6.391 7.347 -4.852 1.00 0.86 C ATOM 1386 CD1 LEU A 87 6.308 5.833 -4.649 1.00 2.22 C ATOM 1387 CD2 LEU A 87 4.968 7.902 -4.967 1.00 1.77 C ATOM 0 H LEU A 87 7.827 9.367 -5.661 1.00 0.51 H new ATOM 0 HA LEU A 87 6.227 9.813 -3.426 1.00 0.51 H new ATOM 0 HB2 LEU A 87 8.202 7.565 -3.710 1.00 0.53 H new ATOM 0 HB3 LEU A 87 6.740 7.607 -2.745 1.00 0.53 H new ATOM 0 HG LEU A 87 6.916 7.609 -5.770 1.00 0.86 H new ATOM 0 HD11 LEU A 87 5.750 5.386 -5.471 1.00 2.22 H new ATOM 0 HD12 LEU A 87 7.314 5.414 -4.623 1.00 2.22 H new ATOM 0 HD13 LEU A 87 5.801 5.619 -3.708 1.00 2.22 H new ATOM 0 HD21 LEU A 87 4.463 7.436 -5.813 1.00 1.77 H new ATOM 0 HD22 LEU A 87 4.418 7.685 -4.051 1.00 1.77 H new ATOM 0 HD23 LEU A 87 5.009 8.981 -5.119 1.00 1.77 H new ATOM 1399 N LYS A 88 9.517 9.962 -2.801 1.00 0.50 N ATOM 1400 CA LYS A 88 10.451 10.402 -1.775 1.00 0.56 C ATOM 1401 C LYS A 88 10.293 11.891 -1.440 1.00 0.60 C ATOM 1402 O LYS A 88 10.276 12.246 -0.265 1.00 0.66 O ATOM 1403 CB LYS A 88 11.902 10.058 -2.123 1.00 0.64 C ATOM 1404 CG LYS A 88 12.645 9.714 -0.819 1.00 0.76 C ATOM 1405 CD LYS A 88 14.160 9.767 -1.025 1.00 0.97 C ATOM 1406 CE LYS A 88 14.965 9.042 0.071 1.00 1.14 C ATOM 1407 NZ LYS A 88 14.540 9.369 1.450 1.00 2.14 N ATOM 0 H LYS A 88 9.949 9.633 -3.665 1.00 0.50 H new ATOM 0 HA LYS A 88 10.195 9.843 -0.875 1.00 0.56 H new ATOM 0 HB2 LYS A 88 11.937 9.215 -2.813 1.00 0.64 H new ATOM 0 HB3 LYS A 88 12.382 10.899 -2.623 1.00 0.64 H new ATOM 0 HG2 LYS A 88 12.356 10.414 -0.035 1.00 0.76 H new ATOM 0 HG3 LYS A 88 12.354 8.719 -0.481 1.00 0.76 H new ATOM 0 HD2 LYS A 88 14.401 9.325 -1.992 1.00 0.97 H new ATOM 0 HD3 LYS A 88 14.475 10.810 -1.064 1.00 0.97 H new ATOM 0 HE2 LYS A 88 14.876 7.966 -0.080 1.00 1.14 H new ATOM 0 HE3 LYS A 88 16.020 9.293 -0.042 1.00 1.14 H new ATOM 0 HZ1 LYS A 88 15.128 8.843 2.128 1.00 2.14 H new ATOM 0 HZ2 LYS A 88 14.651 10.390 1.615 1.00 2.14 H new ATOM 0 HZ3 LYS A 88 13.543 9.104 1.578 1.00 2.14 H new ATOM 1421 N LYS A 89 10.186 12.772 -2.443 1.00 0.61 N ATOM 1422 CA LYS A 89 9.922 14.185 -2.161 1.00 0.69 C ATOM 1423 C LYS A 89 8.642 14.331 -1.333 1.00 0.69 C ATOM 1424 O LYS A 89 8.617 15.060 -0.345 1.00 0.75 O ATOM 1425 CB LYS A 89 9.832 15.035 -3.434 1.00 0.76 C ATOM 1426 CG LYS A 89 11.158 15.752 -3.759 1.00 1.36 C ATOM 1427 CD LYS A 89 12.203 14.924 -4.522 1.00 3.09 C ATOM 1428 CE LYS A 89 12.010 14.981 -6.046 1.00 3.34 C ATOM 1429 NZ LYS A 89 10.659 14.543 -6.435 1.00 4.43 N ATOM 0 H LYS A 89 10.276 12.538 -3.432 1.00 0.61 H new ATOM 0 HA LYS A 89 10.771 14.559 -1.588 1.00 0.69 H new ATOM 0 HB2 LYS A 89 9.551 14.398 -4.273 1.00 0.76 H new ATOM 0 HB3 LYS A 89 9.041 15.776 -3.317 1.00 0.76 H new ATOM 0 HG2 LYS A 89 10.932 16.643 -4.344 1.00 1.36 H new ATOM 0 HG3 LYS A 89 11.604 16.090 -2.824 1.00 1.36 H new ATOM 0 HD2 LYS A 89 13.200 15.287 -4.273 1.00 3.09 H new ATOM 0 HD3 LYS A 89 12.150 13.887 -4.192 1.00 3.09 H new ATOM 0 HE2 LYS A 89 12.179 15.999 -6.398 1.00 3.34 H new ATOM 0 HE3 LYS A 89 12.753 14.348 -6.532 1.00 3.34 H new ATOM 0 HZ1 LYS A 89 10.614 14.431 -7.468 1.00 4.43 H new ATOM 0 HZ2 LYS A 89 10.444 13.634 -5.978 1.00 4.43 H new ATOM 0 HZ3 LYS A 89 9.963 15.255 -6.134 1.00 4.43 H new ATOM 1443 N PHE A 90 7.576 13.633 -1.722 1.00 0.67 N ATOM 1444 CA PHE A 90 6.328 13.686 -0.977 1.00 0.72 C ATOM 1445 C PHE A 90 6.543 13.203 0.459 1.00 0.76 C ATOM 1446 O PHE A 90 6.084 13.822 1.414 1.00 0.84 O ATOM 1447 CB PHE A 90 5.289 12.837 -1.700 1.00 0.69 C ATOM 1448 CG PHE A 90 3.880 13.010 -1.183 1.00 0.66 C ATOM 1449 CD1 PHE A 90 3.180 14.191 -1.493 1.00 2.31 C ATOM 1450 CD2 PHE A 90 3.195 11.916 -0.623 1.00 1.74 C ATOM 1451 CE1 PHE A 90 1.781 14.220 -1.389 1.00 2.76 C ATOM 1452 CE2 PHE A 90 1.793 11.942 -0.544 1.00 1.51 C ATOM 1453 CZ PHE A 90 1.087 13.079 -0.956 1.00 1.43 C ATOM 0 H PHE A 90 7.555 13.029 -2.544 1.00 0.67 H new ATOM 0 HA PHE A 90 5.970 14.714 -0.923 1.00 0.72 H new ATOM 0 HB2 PHE A 90 5.308 13.085 -2.761 1.00 0.69 H new ATOM 0 HB3 PHE A 90 5.570 11.787 -1.613 1.00 0.69 H new ATOM 0 HD1 PHE A 90 3.718 15.072 -1.810 1.00 2.31 H new ATOM 0 HD2 PHE A 90 3.744 11.061 -0.256 1.00 1.74 H new ATOM 0 HE1 PHE A 90 1.239 15.119 -1.642 1.00 2.76 H new ATOM 0 HE2 PHE A 90 1.258 11.084 -0.165 1.00 1.51 H new ATOM 0 HZ PHE A 90 0.007 13.078 -0.941 1.00 1.43 H new ATOM 1463 N ALA A 91 7.294 12.115 0.611 1.00 0.76 N ATOM 1464 CA ALA A 91 7.616 11.505 1.888 1.00 0.87 C ATOM 1465 C ALA A 91 8.460 12.442 2.747 1.00 0.99 C ATOM 1466 O ALA A 91 8.376 12.414 3.968 1.00 1.20 O ATOM 1467 CB ALA A 91 8.361 10.196 1.629 1.00 0.84 C ATOM 0 H ALA A 91 7.706 11.621 -0.181 1.00 0.76 H new ATOM 0 HA ALA A 91 6.695 11.305 2.435 1.00 0.87 H new ATOM 0 HB1 ALA A 91 8.610 9.725 2.580 1.00 0.84 H new ATOM 0 HB2 ALA A 91 7.728 9.526 1.047 1.00 0.84 H new ATOM 0 HB3 ALA A 91 9.277 10.402 1.075 1.00 0.84 H new ATOM 1473 N ALA A 92 9.279 13.281 2.112 1.00 0.97 N ATOM 1474 CA ALA A 92 10.021 14.323 2.799 1.00 1.10 C ATOM 1475 C ALA A 92 9.101 15.438 3.318 1.00 1.07 C ATOM 1476 O ALA A 92 9.530 16.226 4.156 1.00 1.21 O ATOM 1477 CB ALA A 92 11.091 14.873 1.855 1.00 1.24 C ATOM 0 H ALA A 92 9.443 13.252 1.106 1.00 0.97 H new ATOM 0 HA ALA A 92 10.500 13.893 3.678 1.00 1.10 H new ATOM 0 HB1 ALA A 92 11.655 15.657 2.361 1.00 1.24 H new ATOM 0 HB2 ALA A 92 11.768 14.069 1.564 1.00 1.24 H new ATOM 0 HB3 ALA A 92 10.614 15.285 0.966 1.00 1.24 H new ATOM 1483 N ASN A 93 7.859 15.525 2.821 1.00 0.96 N ATOM 1484 CA ASN A 93 6.887 16.532 3.245 1.00 0.99 C ATOM 1485 C ASN A 93 5.916 15.930 4.263 1.00 0.86 C ATOM 1486 O ASN A 93 5.763 16.455 5.363 1.00 0.95 O ATOM 1487 CB ASN A 93 6.132 17.113 2.040 1.00 1.07 C ATOM 1488 CG ASN A 93 6.975 18.116 1.259 1.00 1.30 C ATOM 1489 OD1 ASN A 93 6.778 19.321 1.378 1.00 1.77 O ATOM 1490 ND2 ASN A 93 7.915 17.649 0.443 1.00 2.09 N ATOM 0 H ASN A 93 7.502 14.890 2.107 1.00 0.96 H new ATOM 0 HA ASN A 93 7.424 17.352 3.722 1.00 0.99 H new ATOM 0 HB2 ASN A 93 5.830 16.302 1.378 1.00 1.07 H new ATOM 0 HB3 ASN A 93 5.220 17.599 2.385 1.00 1.07 H new ATOM 0 HD21 ASN A 93 8.488 18.296 -0.098 1.00 2.09 H new ATOM 0 HD22 ASN A 93 8.063 16.643 0.358 1.00 2.09 H new ATOM 1497 N TYR A 94 5.248 14.832 3.901 1.00 0.73 N ATOM 1498 CA TYR A 94 4.395 14.091 4.823 1.00 0.70 C ATOM 1499 C TYR A 94 5.227 13.652 6.041 1.00 0.68 C ATOM 1500 O TYR A 94 6.297 13.076 5.858 1.00 0.77 O ATOM 1501 CB TYR A 94 3.743 12.912 4.094 1.00 0.82 C ATOM 1502 CG TYR A 94 2.386 13.295 3.538 1.00 0.84 C ATOM 1503 CD1 TYR A 94 2.281 14.018 2.335 1.00 2.00 C ATOM 1504 CD2 TYR A 94 1.264 13.175 4.373 1.00 1.76 C ATOM 1505 CE1 TYR A 94 1.053 14.604 1.970 1.00 2.02 C ATOM 1506 CE2 TYR A 94 0.020 13.682 3.963 1.00 1.79 C ATOM 1507 CZ TYR A 94 -0.082 14.415 2.774 1.00 0.94 C ATOM 1508 OH TYR A 94 -1.294 14.930 2.426 1.00 1.08 O ATOM 0 H TYR A 94 5.285 14.435 2.962 1.00 0.73 H new ATOM 0 HA TYR A 94 3.586 14.723 5.189 1.00 0.70 H new ATOM 0 HB2 TYR A 94 4.391 12.579 3.283 1.00 0.82 H new ATOM 0 HB3 TYR A 94 3.634 12.072 4.780 1.00 0.82 H new ATOM 0 HD1 TYR A 94 3.142 14.124 1.692 1.00 2.00 H new ATOM 0 HD2 TYR A 94 1.358 12.691 5.334 1.00 1.76 H new ATOM 0 HE1 TYR A 94 0.985 15.199 1.071 1.00 2.02 H new ATOM 0 HE2 TYR A 94 -0.859 13.506 4.565 1.00 1.79 H new ATOM 0 HH TYR A 94 -1.958 14.693 3.107 1.00 1.08 H new ATOM 1518 N PRO A 95 4.793 13.935 7.281 1.00 0.80 N ATOM 1519 CA PRO A 95 5.627 13.772 8.466 1.00 0.96 C ATOM 1520 C PRO A 95 5.759 12.295 8.857 1.00 0.99 C ATOM 1521 O PRO A 95 5.122 11.842 9.808 1.00 1.28 O ATOM 1522 CB PRO A 95 4.944 14.620 9.547 1.00 1.18 C ATOM 1523 CG PRO A 95 3.469 14.568 9.149 1.00 1.17 C ATOM 1524 CD PRO A 95 3.539 14.586 7.623 1.00 0.93 C ATOM 0 HA PRO A 95 6.653 14.101 8.304 1.00 0.96 H new ATOM 0 HB2 PRO A 95 5.107 14.210 10.544 1.00 1.18 H new ATOM 0 HB3 PRO A 95 5.323 15.642 9.557 1.00 1.18 H new ATOM 0 HG2 PRO A 95 2.979 13.669 9.522 1.00 1.17 H new ATOM 0 HG3 PRO A 95 2.913 15.420 9.540 1.00 1.17 H new ATOM 0 HD2 PRO A 95 2.691 14.058 7.186 1.00 0.93 H new ATOM 0 HD3 PRO A 95 3.510 15.607 7.241 1.00 0.93 H new ATOM 1532 N LEU A 96 6.576 11.546 8.107 1.00 0.84 N ATOM 1533 CA LEU A 96 6.855 10.129 8.319 1.00 0.82 C ATOM 1534 C LEU A 96 8.294 9.876 8.754 1.00 0.99 C ATOM 1535 O LEU A 96 9.107 10.793 8.848 1.00 1.19 O ATOM 1536 CB LEU A 96 6.487 9.320 7.069 1.00 0.69 C ATOM 1537 CG LEU A 96 7.243 9.623 5.766 1.00 0.71 C ATOM 1538 CD1 LEU A 96 8.620 8.947 5.695 1.00 0.84 C ATOM 1539 CD2 LEU A 96 6.373 9.087 4.626 1.00 0.86 C ATOM 0 H LEU A 96 7.078 11.929 7.306 1.00 0.84 H new ATOM 0 HA LEU A 96 6.228 9.790 9.144 1.00 0.82 H new ATOM 0 HB2 LEU A 96 6.630 8.264 7.300 1.00 0.69 H new ATOM 0 HB3 LEU A 96 5.423 9.464 6.879 1.00 0.69 H new ATOM 0 HG LEU A 96 7.421 10.697 5.704 1.00 0.71 H new ATOM 0 HD11 LEU A 96 9.102 9.201 4.751 1.00 0.84 H new ATOM 0 HD12 LEU A 96 9.239 9.294 6.523 1.00 0.84 H new ATOM 0 HD13 LEU A 96 8.498 7.866 5.761 1.00 0.84 H new ATOM 0 HD21 LEU A 96 6.865 9.277 3.672 1.00 0.86 H new ATOM 0 HD22 LEU A 96 6.228 8.014 4.752 1.00 0.86 H new ATOM 0 HD23 LEU A 96 5.405 9.588 4.641 1.00 0.86 H new ATOM 1551 N SER A 97 8.599 8.596 8.983 1.00 1.01 N ATOM 1552 CA SER A 97 9.951 8.088 9.111 1.00 1.13 C ATOM 1553 C SER A 97 10.065 6.853 8.222 1.00 1.00 C ATOM 1554 O SER A 97 9.226 5.954 8.302 1.00 1.05 O ATOM 1555 CB SER A 97 10.266 7.738 10.566 1.00 1.39 C ATOM 1556 OG SER A 97 11.605 7.288 10.644 1.00 2.07 O ATOM 0 H SER A 97 7.888 7.872 9.086 1.00 1.01 H new ATOM 0 HA SER A 97 10.670 8.847 8.802 1.00 1.13 H new ATOM 0 HB2 SER A 97 10.123 8.610 11.204 1.00 1.39 H new ATOM 0 HB3 SER A 97 9.586 6.965 10.925 1.00 1.39 H new ATOM 0 HG SER A 97 11.820 7.062 11.573 1.00 2.07 H new ATOM 1562 N PHE A 98 11.106 6.823 7.386 1.00 0.90 N ATOM 1563 CA PHE A 98 11.411 5.721 6.484 1.00 0.78 C ATOM 1564 C PHE A 98 11.701 4.406 7.224 1.00 0.73 C ATOM 1565 O PHE A 98 11.612 3.347 6.610 1.00 0.61 O ATOM 1566 CB PHE A 98 12.611 6.106 5.608 1.00 0.86 C ATOM 1567 CG PHE A 98 12.347 7.256 4.646 1.00 0.92 C ATOM 1568 CD1 PHE A 98 11.630 7.026 3.456 1.00 1.57 C ATOM 1569 CD2 PHE A 98 12.733 8.569 4.981 1.00 2.32 C ATOM 1570 CE1 PHE A 98 11.272 8.102 2.624 1.00 1.46 C ATOM 1571 CE2 PHE A 98 12.357 9.647 4.160 1.00 2.45 C ATOM 1572 CZ PHE A 98 11.617 9.417 2.987 1.00 1.06 C ATOM 0 H PHE A 98 11.776 7.589 7.320 1.00 0.90 H new ATOM 0 HA PHE A 98 10.528 5.545 5.869 1.00 0.78 H new ATOM 0 HB2 PHE A 98 13.446 6.375 6.255 1.00 0.86 H new ATOM 0 HB3 PHE A 98 12.921 5.233 5.034 1.00 0.86 H new ATOM 0 HD1 PHE A 98 11.354 6.019 3.181 1.00 1.57 H new ATOM 0 HD2 PHE A 98 13.319 8.748 5.870 1.00 2.32 H new ATOM 0 HE1 PHE A 98 10.732 7.919 1.707 1.00 1.46 H new ATOM 0 HE2 PHE A 98 12.637 10.654 4.431 1.00 2.45 H new ATOM 0 HZ PHE A 98 11.314 10.247 2.366 1.00 1.06 H new ATOM 1582 N ASP A 99 12.072 4.503 8.509 1.00 0.94 N ATOM 1583 CA ASP A 99 12.506 3.458 9.437 1.00 0.96 C ATOM 1584 C ASP A 99 12.223 2.039 8.945 1.00 0.88 C ATOM 1585 O ASP A 99 13.138 1.302 8.586 1.00 0.95 O ATOM 1586 CB ASP A 99 11.863 3.727 10.802 1.00 1.28 C ATOM 1587 CG ASP A 99 12.305 2.718 11.850 1.00 2.03 C ATOM 1588 OD1 ASP A 99 11.747 1.600 11.857 1.00 3.30 O ATOM 1589 OD2 ASP A 99 13.159 3.105 12.674 1.00 2.40 O ATOM 0 H ASP A 99 12.074 5.414 8.968 1.00 0.94 H new ATOM 0 HA ASP A 99 13.592 3.505 9.516 1.00 0.96 H new ATOM 0 HB2 ASP A 99 12.124 4.732 11.134 1.00 1.28 H new ATOM 0 HB3 ASP A 99 10.778 3.696 10.704 1.00 1.28 H new ATOM 1594 N ASN A 100 10.936 1.692 8.901 1.00 0.88 N ATOM 1595 CA ASN A 100 10.446 0.417 8.390 1.00 0.88 C ATOM 1596 C ASN A 100 9.240 0.646 7.481 1.00 0.76 C ATOM 1597 O ASN A 100 8.196 0.000 7.589 1.00 1.01 O ATOM 1598 CB ASN A 100 10.123 -0.498 9.574 1.00 1.29 C ATOM 1599 CG ASN A 100 8.890 -0.059 10.359 1.00 1.67 C ATOM 1600 OD1 ASN A 100 8.613 1.131 10.470 1.00 3.77 O ATOM 1601 ND2 ASN A 100 8.127 -1.011 10.893 1.00 1.32 N ATOM 0 H ASN A 100 10.190 2.306 9.228 1.00 0.88 H new ATOM 0 HA ASN A 100 11.208 -0.072 7.784 1.00 0.88 H new ATOM 0 HB2 ASN A 100 9.969 -1.513 9.208 1.00 1.29 H new ATOM 0 HB3 ASN A 100 10.981 -0.528 10.246 1.00 1.29 H new ATOM 0 HD21 ASN A 100 7.286 -0.759 11.412 1.00 1.32 H new ATOM 0 HD22 ASN A 100 8.384 -1.992 10.783 1.00 1.32 H new ATOM 1608 N TRP A 101 9.453 1.535 6.516 1.00 0.53 N ATOM 1609 CA TRP A 101 8.495 1.954 5.510 1.00 0.46 C ATOM 1610 C TRP A 101 9.114 1.738 4.131 1.00 0.46 C ATOM 1611 O TRP A 101 9.946 2.531 3.689 1.00 0.53 O ATOM 1612 CB TRP A 101 8.104 3.416 5.748 1.00 0.41 C ATOM 1613 CG TRP A 101 6.925 3.948 4.988 1.00 0.40 C ATOM 1614 CD1 TRP A 101 6.575 3.642 3.716 1.00 0.57 C ATOM 1615 CD2 TRP A 101 5.929 4.914 5.446 1.00 0.43 C ATOM 1616 NE1 TRP A 101 5.442 4.340 3.369 1.00 0.70 N ATOM 1617 CE2 TRP A 101 4.997 5.137 4.393 1.00 0.55 C ATOM 1618 CE3 TRP A 101 5.729 5.644 6.637 1.00 0.58 C ATOM 1619 CZ2 TRP A 101 3.928 6.031 4.504 1.00 0.63 C ATOM 1620 CZ3 TRP A 101 4.649 6.536 6.765 1.00 0.62 C ATOM 1621 CH2 TRP A 101 3.772 6.759 5.691 1.00 0.61 C ATOM 0 H TRP A 101 10.352 2.007 6.413 1.00 0.53 H new ATOM 0 HA TRP A 101 7.581 1.363 5.571 1.00 0.46 H new ATOM 0 HB2 TRP A 101 7.904 3.542 6.812 1.00 0.41 H new ATOM 0 HB3 TRP A 101 8.967 4.038 5.510 1.00 0.41 H new ATOM 0 HD1 TRP A 101 7.105 2.955 3.073 1.00 0.57 H new ATOM 0 HE1 TRP A 101 4.987 4.273 2.459 1.00 0.70 H new ATOM 0 HE3 TRP A 101 6.415 5.516 7.462 1.00 0.58 H new ATOM 0 HZ2 TRP A 101 3.233 6.159 3.687 1.00 0.63 H new ATOM 0 HZ3 TRP A 101 4.493 7.055 7.699 1.00 0.62 H new ATOM 0 HH2 TRP A 101 2.981 7.489 5.780 1.00 0.61 H new ATOM 1632 N ASP A 102 8.695 0.673 3.443 1.00 0.42 N ATOM 1633 CA ASP A 102 9.273 0.280 2.165 1.00 0.43 C ATOM 1634 C ASP A 102 8.374 0.790 1.032 1.00 0.43 C ATOM 1635 O ASP A 102 7.329 0.210 0.729 1.00 0.48 O ATOM 1636 CB ASP A 102 9.496 -1.246 2.131 1.00 0.45 C ATOM 1637 CG ASP A 102 10.969 -1.648 2.119 1.00 0.61 C ATOM 1638 OD1 ASP A 102 11.728 -1.039 1.333 1.00 1.79 O ATOM 1639 OD2 ASP A 102 11.312 -2.583 2.880 1.00 1.29 O ATOM 0 H ASP A 102 7.944 0.061 3.761 1.00 0.42 H new ATOM 0 HA ASP A 102 10.255 0.733 2.029 1.00 0.43 H new ATOM 0 HB2 ASP A 102 9.012 -1.695 2.999 1.00 0.45 H new ATOM 0 HB3 ASP A 102 9.009 -1.656 1.247 1.00 0.45 H new ATOM 1644 N PHE A 103 8.773 1.908 0.419 1.00 0.46 N ATOM 1645 CA PHE A 103 8.058 2.505 -0.700 1.00 0.45 C ATOM 1646 C PHE A 103 8.385 1.746 -1.990 1.00 0.54 C ATOM 1647 O PHE A 103 9.461 1.980 -2.538 1.00 0.68 O ATOM 1648 CB PHE A 103 8.438 3.983 -0.849 1.00 0.53 C ATOM 1649 CG PHE A 103 7.752 4.916 0.126 1.00 0.50 C ATOM 1650 CD1 PHE A 103 6.402 5.250 -0.084 1.00 1.85 C ATOM 1651 CD2 PHE A 103 8.452 5.480 1.211 1.00 1.90 C ATOM 1652 CE1 PHE A 103 5.767 6.177 0.757 1.00 1.84 C ATOM 1653 CE2 PHE A 103 7.819 6.424 2.040 1.00 1.99 C ATOM 1654 CZ PHE A 103 6.484 6.794 1.792 1.00 0.75 C ATOM 0 H PHE A 103 9.609 2.425 0.692 1.00 0.46 H new ATOM 0 HA PHE A 103 6.987 2.439 -0.508 1.00 0.45 H new ATOM 0 HB2 PHE A 103 9.517 4.081 -0.726 1.00 0.53 H new ATOM 0 HB3 PHE A 103 8.203 4.304 -1.864 1.00 0.53 H new ATOM 0 HD1 PHE A 103 5.853 4.792 -0.894 1.00 1.85 H new ATOM 0 HD2 PHE A 103 9.473 5.188 1.406 1.00 1.90 H new ATOM 0 HE1 PHE A 103 4.724 6.415 0.607 1.00 1.84 H new ATOM 0 HE2 PHE A 103 8.357 6.865 2.866 1.00 1.99 H new ATOM 0 HZ PHE A 103 6.012 7.553 2.399 1.00 0.75 H new ATOM 1664 N LEU A 104 7.511 0.853 -2.475 1.00 0.54 N ATOM 1665 CA LEU A 104 7.837 -0.063 -3.578 1.00 0.60 C ATOM 1666 C LEU A 104 7.494 0.491 -4.961 1.00 0.70 C ATOM 1667 O LEU A 104 6.473 1.152 -5.133 1.00 0.80 O ATOM 1668 CB LEU A 104 7.252 -1.464 -3.376 1.00 0.59 C ATOM 1669 CG LEU A 104 7.604 -2.076 -2.012 1.00 0.50 C ATOM 1670 CD1 LEU A 104 7.234 -3.559 -2.024 1.00 0.51 C ATOM 1671 CD2 LEU A 104 9.094 -1.968 -1.673 1.00 0.47 C ATOM 0 H LEU A 104 6.562 0.745 -2.116 1.00 0.54 H new ATOM 0 HA LEU A 104 8.923 -0.156 -3.548 1.00 0.60 H new ATOM 0 HB2 LEU A 104 6.168 -1.416 -3.476 1.00 0.59 H new ATOM 0 HB3 LEU A 104 7.616 -2.120 -4.166 1.00 0.59 H new ATOM 0 HG LEU A 104 7.046 -1.518 -1.261 1.00 0.50 H new ATOM 0 HD11 LEU A 104 7.480 -4.003 -1.060 1.00 0.51 H new ATOM 0 HD12 LEU A 104 6.165 -3.666 -2.211 1.00 0.51 H new ATOM 0 HD13 LEU A 104 7.792 -4.067 -2.810 1.00 0.51 H new ATOM 0 HD21 LEU A 104 9.279 -2.418 -0.698 1.00 0.47 H new ATOM 0 HD22 LEU A 104 9.678 -2.491 -2.430 1.00 0.47 H new ATOM 0 HD23 LEU A 104 9.387 -0.918 -1.650 1.00 0.47 H new ATOM 1683 N THR A 105 8.353 0.212 -5.951 1.00 0.69 N ATOM 1684 CA THR A 105 8.225 0.731 -7.306 1.00 0.64 C ATOM 1685 C THR A 105 7.618 -0.306 -8.248 1.00 1.04 C ATOM 1686 O THR A 105 6.492 -0.143 -8.707 1.00 1.50 O ATOM 1687 CB THR A 105 9.591 1.209 -7.821 1.00 0.45 C ATOM 1688 OG1 THR A 105 10.555 0.174 -7.820 1.00 0.73 O ATOM 1689 CG2 THR A 105 10.107 2.358 -6.964 1.00 0.98 C ATOM 0 H THR A 105 9.166 -0.390 -5.824 1.00 0.69 H new ATOM 0 HA THR A 105 7.544 1.582 -7.280 1.00 0.64 H new ATOM 0 HB THR A 105 9.441 1.539 -8.849 1.00 0.45 H new ATOM 0 HG1 THR A 105 10.761 -0.080 -6.896 1.00 0.73 H new ATOM 0 HG21 THR A 105 11.076 2.686 -7.341 1.00 0.98 H new ATOM 0 HG22 THR A 105 9.401 3.188 -7.005 1.00 0.98 H new ATOM 0 HG23 THR A 105 10.214 2.023 -5.932 1.00 0.98 H new ATOM 1697 N GLY A 106 8.421 -1.296 -8.641 1.00 1.23 N ATOM 1698 CA GLY A 106 8.102 -2.276 -9.674 1.00 1.88 C ATOM 1699 C GLY A 106 8.445 -1.734 -11.063 1.00 1.83 C ATOM 1700 O GLY A 106 8.890 -2.467 -11.948 1.00 2.86 O ATOM 0 H GLY A 106 9.344 -1.440 -8.232 1.00 1.23 H new ATOM 0 HA2 GLY A 106 8.656 -3.197 -9.491 1.00 1.88 H new ATOM 0 HA3 GLY A 106 7.042 -2.527 -9.628 1.00 1.88 H new ATOM 1704 N TYR A 107 8.291 -0.417 -11.218 1.00 0.92 N ATOM 1705 CA TYR A 107 8.735 0.416 -12.308 1.00 1.16 C ATOM 1706 C TYR A 107 8.070 0.089 -13.633 1.00 1.47 C ATOM 1707 O TYR A 107 7.258 0.864 -14.136 1.00 2.21 O ATOM 1708 CB TYR A 107 10.262 0.441 -12.393 1.00 2.36 C ATOM 1709 CG TYR A 107 10.945 1.587 -11.674 1.00 3.57 C ATOM 1710 CD1 TYR A 107 10.886 2.878 -12.233 1.00 4.71 C ATOM 1711 CD2 TYR A 107 11.826 1.330 -10.606 1.00 4.59 C ATOM 1712 CE1 TYR A 107 11.761 3.883 -11.786 1.00 5.99 C ATOM 1713 CE2 TYR A 107 12.677 2.345 -10.137 1.00 6.05 C ATOM 1714 CZ TYR A 107 12.684 3.601 -10.766 1.00 6.46 C ATOM 1715 OH TYR A 107 13.577 4.553 -10.370 1.00 7.90 O ATOM 0 H TYR A 107 7.805 0.133 -10.510 1.00 0.92 H new ATOM 0 HA TYR A 107 8.405 1.430 -12.083 1.00 1.16 H new ATOM 0 HB2 TYR A 107 10.645 -0.496 -11.989 1.00 2.36 H new ATOM 0 HB3 TYR A 107 10.548 0.475 -13.444 1.00 2.36 H new ATOM 0 HD1 TYR A 107 10.166 3.097 -13.008 1.00 4.71 H new ATOM 0 HD2 TYR A 107 11.848 0.353 -10.147 1.00 4.59 H new ATOM 0 HE1 TYR A 107 11.724 4.869 -12.226 1.00 5.99 H new ATOM 0 HE2 TYR A 107 13.325 2.160 -9.293 1.00 6.05 H new ATOM 0 HH TYR A 107 14.142 4.194 -9.654 1.00 7.90 H new ATOM 1725 N SER A 108 8.426 -1.059 -14.192 1.00 1.86 N ATOM 1726 CA SER A 108 7.666 -1.654 -15.260 1.00 2.62 C ATOM 1727 C SER A 108 6.232 -1.832 -14.787 1.00 2.16 C ATOM 1728 O SER A 108 5.974 -2.522 -13.800 1.00 1.86 O ATOM 1729 CB SER A 108 8.261 -3.001 -15.655 1.00 3.70 C ATOM 1730 OG SER A 108 9.047 -3.545 -14.603 1.00 4.51 O ATOM 0 H SER A 108 9.248 -1.595 -13.913 1.00 1.86 H new ATOM 0 HA SER A 108 7.694 -1.006 -16.136 1.00 2.62 H new ATOM 0 HB2 SER A 108 7.460 -3.695 -15.910 1.00 3.70 H new ATOM 0 HB3 SER A 108 8.875 -2.882 -16.547 1.00 3.70 H new ATOM 0 HG SER A 108 8.593 -3.399 -13.747 1.00 4.51 H new ATOM 1736 N GLN A 109 5.326 -1.232 -15.551 1.00 2.28 N ATOM 1737 CA GLN A 109 3.896 -1.280 -15.465 1.00 1.96 C ATOM 1738 C GLN A 109 3.558 -2.725 -15.193 1.00 1.74 C ATOM 1739 O GLN A 109 3.014 -3.012 -14.149 1.00 1.75 O ATOM 1740 CB GLN A 109 3.326 -0.783 -16.799 1.00 2.54 C ATOM 1741 CG GLN A 109 3.536 0.720 -17.071 1.00 3.09 C ATOM 1742 CD GLN A 109 4.893 1.267 -16.645 1.00 4.54 C ATOM 1743 OE1 GLN A 109 5.888 1.019 -17.319 1.00 6.50 O ATOM 1744 NE2 GLN A 109 4.993 1.818 -15.441 1.00 3.92 N ATOM 0 H GLN A 109 5.623 -0.639 -16.326 1.00 2.28 H new ATOM 0 HA GLN A 109 3.475 -0.652 -14.680 1.00 1.96 H new ATOM 0 HB2 GLN A 109 3.784 -1.352 -17.608 1.00 2.54 H new ATOM 0 HB3 GLN A 109 2.257 -0.997 -16.824 1.00 2.54 H new ATOM 0 HG2 GLN A 109 3.406 0.903 -18.138 1.00 3.09 H new ATOM 0 HG3 GLN A 109 2.757 1.280 -16.554 1.00 3.09 H new ATOM 0 HE21 GLN A 109 4.152 2.015 -14.899 1.00 3.92 H new ATOM 0 HE22 GLN A 109 5.911 2.044 -15.058 1.00 3.92 H new ATOM 1753 N SER A 110 3.994 -3.631 -16.067 1.00 1.96 N ATOM 1754 CA SER A 110 3.792 -5.064 -15.952 1.00 2.17 C ATOM 1755 C SER A 110 3.981 -5.590 -14.525 1.00 2.08 C ATOM 1756 O SER A 110 3.127 -6.324 -14.030 1.00 2.25 O ATOM 1757 CB SER A 110 4.754 -5.753 -16.923 1.00 2.79 C ATOM 1758 OG SER A 110 4.819 -4.997 -18.122 1.00 2.77 O ATOM 0 H SER A 110 4.516 -3.372 -16.904 1.00 1.96 H new ATOM 0 HA SER A 110 2.756 -5.289 -16.205 1.00 2.17 H new ATOM 0 HB2 SER A 110 5.745 -5.836 -16.476 1.00 2.79 H new ATOM 0 HB3 SER A 110 4.414 -6.767 -17.135 1.00 2.79 H new ATOM 0 HG SER A 110 5.435 -5.431 -18.749 1.00 2.77 H new ATOM 1764 N GLU A 111 5.092 -5.226 -13.869 1.00 2.00 N ATOM 1765 CA GLU A 111 5.464 -5.781 -12.590 1.00 2.02 C ATOM 1766 C GLU A 111 4.422 -5.354 -11.564 1.00 1.83 C ATOM 1767 O GLU A 111 3.696 -6.178 -11.001 1.00 1.95 O ATOM 1768 CB GLU A 111 6.877 -5.254 -12.296 1.00 1.98 C ATOM 1769 CG GLU A 111 7.633 -6.068 -11.254 1.00 3.10 C ATOM 1770 CD GLU A 111 7.492 -5.549 -9.828 1.00 4.31 C ATOM 1771 OE1 GLU A 111 6.377 -5.119 -9.468 1.00 4.93 O ATOM 1772 OE2 GLU A 111 8.518 -5.558 -9.115 1.00 5.33 O ATOM 0 H GLU A 111 5.751 -4.534 -14.225 1.00 2.00 H new ATOM 0 HA GLU A 111 5.488 -6.870 -12.567 1.00 2.02 H new ATOM 0 HB2 GLU A 111 7.451 -5.245 -13.223 1.00 1.98 H new ATOM 0 HB3 GLU A 111 6.806 -4.221 -11.955 1.00 1.98 H new ATOM 0 HG2 GLU A 111 7.280 -7.099 -11.289 1.00 3.10 H new ATOM 0 HG3 GLU A 111 8.690 -6.084 -11.519 1.00 3.10 H new ATOM 1779 N ILE A 112 4.306 -4.036 -11.390 1.00 1.58 N ATOM 1780 CA ILE A 112 3.422 -3.477 -10.387 1.00 1.48 C ATOM 1781 C ILE A 112 1.962 -3.780 -10.739 1.00 1.45 C ATOM 1782 O ILE A 112 1.142 -3.967 -9.849 1.00 1.52 O ATOM 1783 CB ILE A 112 3.726 -1.979 -10.178 1.00 1.45 C ATOM 1784 CG1 ILE A 112 3.007 -1.405 -8.949 1.00 1.64 C ATOM 1785 CG2 ILE A 112 3.389 -1.128 -11.410 1.00 1.50 C ATOM 1786 CD1 ILE A 112 3.618 -1.893 -7.632 1.00 1.75 C ATOM 0 H ILE A 112 4.817 -3.342 -11.935 1.00 1.58 H new ATOM 0 HA ILE A 112 3.601 -3.952 -9.422 1.00 1.48 H new ATOM 0 HB ILE A 112 4.802 -1.927 -10.011 1.00 1.45 H new ATOM 0 HG12 ILE A 112 3.048 -0.316 -8.984 1.00 1.64 H new ATOM 0 HG13 ILE A 112 1.954 -1.686 -8.984 1.00 1.64 H new ATOM 0 HG21 ILE A 112 3.623 -0.083 -11.206 1.00 1.50 H new ATOM 0 HG22 ILE A 112 3.976 -1.472 -12.261 1.00 1.50 H new ATOM 0 HG23 ILE A 112 2.328 -1.224 -11.639 1.00 1.50 H new ATOM 0 HD11 ILE A 112 3.073 -1.458 -6.795 1.00 1.75 H new ATOM 0 HD12 ILE A 112 3.553 -2.980 -7.582 1.00 1.75 H new ATOM 0 HD13 ILE A 112 4.664 -1.589 -7.581 1.00 1.75 H new ATOM 1798 N GLU A 113 1.647 -3.843 -12.033 1.00 1.47 N ATOM 1799 CA GLU A 113 0.334 -4.099 -12.593 1.00 1.43 C ATOM 1800 C GLU A 113 -0.119 -5.482 -12.154 1.00 1.24 C ATOM 1801 O GLU A 113 -1.041 -5.577 -11.350 1.00 1.18 O ATOM 1802 CB GLU A 113 0.362 -3.913 -14.124 1.00 1.69 C ATOM 1803 CG GLU A 113 -0.972 -4.007 -14.868 1.00 1.52 C ATOM 1804 CD GLU A 113 -1.514 -5.421 -15.002 1.00 2.72 C ATOM 1805 OE1 GLU A 113 -0.814 -6.225 -15.653 1.00 3.46 O ATOM 1806 OE2 GLU A 113 -2.623 -5.652 -14.477 1.00 3.94 O ATOM 0 H GLU A 113 2.352 -3.707 -12.758 1.00 1.47 H new ATOM 0 HA GLU A 113 -0.398 -3.382 -12.221 1.00 1.43 H new ATOM 0 HB2 GLU A 113 0.799 -2.937 -14.337 1.00 1.69 H new ATOM 0 HB3 GLU A 113 1.035 -4.662 -14.542 1.00 1.69 H new ATOM 0 HG2 GLU A 113 -1.709 -3.395 -14.348 1.00 1.52 H new ATOM 0 HG3 GLU A 113 -0.850 -3.581 -15.864 1.00 1.52 H new ATOM 1813 N GLU A 114 0.545 -6.538 -12.631 1.00 1.24 N ATOM 1814 CA GLU A 114 0.118 -7.906 -12.383 1.00 1.14 C ATOM 1815 C GLU A 114 -0.012 -8.136 -10.872 1.00 0.96 C ATOM 1816 O GLU A 114 -1.083 -8.506 -10.379 1.00 0.91 O ATOM 1817 CB GLU A 114 1.063 -8.858 -13.113 1.00 1.27 C ATOM 1818 CG GLU A 114 0.477 -10.264 -13.279 1.00 1.40 C ATOM 1819 CD GLU A 114 1.324 -11.142 -14.200 1.00 1.55 C ATOM 1820 OE1 GLU A 114 2.542 -10.876 -14.298 1.00 2.83 O ATOM 1821 OE2 GLU A 114 0.730 -12.053 -14.818 1.00 1.77 O ATOM 0 H GLU A 114 1.390 -6.463 -13.197 1.00 1.24 H new ATOM 0 HA GLU A 114 -0.874 -8.107 -12.787 1.00 1.14 H new ATOM 0 HB2 GLU A 114 1.297 -8.448 -14.096 1.00 1.27 H new ATOM 0 HB3 GLU A 114 2.002 -8.923 -12.563 1.00 1.27 H new ATOM 0 HG2 GLU A 114 0.396 -10.739 -12.301 1.00 1.40 H new ATOM 0 HG3 GLU A 114 -0.533 -10.189 -13.681 1.00 1.40 H new ATOM 1828 N PHE A 115 1.043 -7.767 -10.136 1.00 0.94 N ATOM 1829 CA PHE A 115 1.061 -7.768 -8.680 1.00 0.84 C ATOM 1830 C PHE A 115 -0.168 -7.064 -8.097 1.00 0.77 C ATOM 1831 O PHE A 115 -0.919 -7.649 -7.316 1.00 0.74 O ATOM 1832 CB PHE A 115 2.360 -7.114 -8.192 1.00 0.91 C ATOM 1833 CG PHE A 115 2.314 -6.617 -6.760 1.00 0.86 C ATOM 1834 CD1 PHE A 115 2.341 -7.522 -5.683 1.00 1.98 C ATOM 1835 CD2 PHE A 115 2.089 -5.251 -6.517 1.00 2.03 C ATOM 1836 CE1 PHE A 115 2.142 -7.058 -4.369 1.00 1.94 C ATOM 1837 CE2 PHE A 115 1.873 -4.791 -5.211 1.00 2.13 C ATOM 1838 CZ PHE A 115 1.874 -5.695 -4.136 1.00 1.00 C ATOM 0 H PHE A 115 1.921 -7.455 -10.550 1.00 0.94 H new ATOM 0 HA PHE A 115 1.024 -8.799 -8.330 1.00 0.84 H new ATOM 0 HB2 PHE A 115 3.173 -7.834 -8.287 1.00 0.91 H new ATOM 0 HB3 PHE A 115 2.598 -6.276 -8.847 1.00 0.91 H new ATOM 0 HD1 PHE A 115 2.514 -8.572 -5.864 1.00 1.98 H new ATOM 0 HD2 PHE A 115 2.083 -4.553 -7.341 1.00 2.03 H new ATOM 0 HE1 PHE A 115 2.195 -7.747 -3.539 1.00 1.94 H new ATOM 0 HE2 PHE A 115 1.705 -3.739 -5.031 1.00 2.13 H new ATOM 0 HZ PHE A 115 1.670 -5.346 -3.134 1.00 1.00 H new ATOM 1848 N ALA A 116 -0.359 -5.786 -8.431 1.00 0.85 N ATOM 1849 CA ALA A 116 -1.373 -4.958 -7.806 1.00 0.95 C ATOM 1850 C ALA A 116 -2.775 -5.390 -8.225 1.00 0.97 C ATOM 1851 O ALA A 116 -3.720 -5.177 -7.468 1.00 1.02 O ATOM 1852 CB ALA A 116 -1.134 -3.473 -8.076 1.00 1.28 C ATOM 0 H ALA A 116 0.189 -5.303 -9.143 1.00 0.85 H new ATOM 0 HA ALA A 116 -1.295 -5.102 -6.728 1.00 0.95 H new ATOM 0 HB1 ALA A 116 -1.914 -2.885 -7.592 1.00 1.28 H new ATOM 0 HB2 ALA A 116 -0.161 -3.183 -7.679 1.00 1.28 H new ATOM 0 HB3 ALA A 116 -1.156 -3.290 -9.150 1.00 1.28 H new ATOM 1858 N LEU A 117 -2.928 -5.996 -9.404 1.00 1.01 N ATOM 1859 CA LEU A 117 -4.163 -6.620 -9.849 1.00 1.09 C ATOM 1860 C LEU A 117 -4.462 -7.803 -8.939 1.00 1.04 C ATOM 1861 O LEU A 117 -5.494 -7.837 -8.272 1.00 1.09 O ATOM 1862 CB LEU A 117 -4.041 -7.077 -11.310 1.00 1.21 C ATOM 1863 CG LEU A 117 -5.323 -6.945 -12.149 1.00 1.29 C ATOM 1864 CD1 LEU A 117 -6.518 -7.619 -11.468 1.00 1.45 C ATOM 1865 CD2 LEU A 117 -5.654 -5.491 -12.504 1.00 1.43 C ATOM 0 H LEU A 117 -2.175 -6.065 -10.088 1.00 1.01 H new ATOM 0 HA LEU A 117 -4.980 -5.900 -9.796 1.00 1.09 H new ATOM 0 HB2 LEU A 117 -3.251 -6.499 -11.790 1.00 1.21 H new ATOM 0 HB3 LEU A 117 -3.724 -8.120 -11.322 1.00 1.21 H new ATOM 0 HG LEU A 117 -5.123 -7.466 -13.085 1.00 1.29 H new ATOM 0 HD11 LEU A 117 -7.405 -7.504 -12.092 1.00 1.45 H new ATOM 0 HD12 LEU A 117 -6.307 -8.679 -11.329 1.00 1.45 H new ATOM 0 HD13 LEU A 117 -6.694 -7.154 -10.498 1.00 1.45 H new ATOM 0 HD21 LEU A 117 -6.568 -5.460 -13.096 1.00 1.43 H new ATOM 0 HD22 LEU A 117 -5.795 -4.916 -11.589 1.00 1.43 H new ATOM 0 HD23 LEU A 117 -4.834 -5.061 -13.080 1.00 1.43 H new ATOM 1877 N LYS A 118 -3.541 -8.767 -8.922 1.00 0.98 N ATOM 1878 CA LYS A 118 -3.702 -10.013 -8.191 1.00 0.97 C ATOM 1879 C LYS A 118 -3.974 -9.729 -6.715 1.00 0.89 C ATOM 1880 O LYS A 118 -4.864 -10.344 -6.117 1.00 0.96 O ATOM 1881 CB LYS A 118 -2.459 -10.891 -8.399 1.00 0.98 C ATOM 1882 CG LYS A 118 -2.456 -12.162 -7.538 1.00 2.21 C ATOM 1883 CD LYS A 118 -3.590 -13.129 -7.917 1.00 2.74 C ATOM 1884 CE LYS A 118 -4.164 -13.879 -6.709 1.00 4.82 C ATOM 1885 NZ LYS A 118 -4.685 -12.964 -5.668 1.00 6.73 N ATOM 0 H LYS A 118 -2.655 -8.699 -9.422 1.00 0.98 H new ATOM 0 HA LYS A 118 -4.564 -10.561 -8.572 1.00 0.97 H new ATOM 0 HB2 LYS A 118 -2.395 -11.173 -9.450 1.00 0.98 H new ATOM 0 HB3 LYS A 118 -1.568 -10.306 -8.172 1.00 0.98 H new ATOM 0 HG2 LYS A 118 -1.498 -12.669 -7.647 1.00 2.21 H new ATOM 0 HG3 LYS A 118 -2.553 -11.887 -6.488 1.00 2.21 H new ATOM 0 HD2 LYS A 118 -4.389 -12.570 -8.405 1.00 2.74 H new ATOM 0 HD3 LYS A 118 -3.217 -13.851 -8.643 1.00 2.74 H new ATOM 0 HE2 LYS A 118 -4.965 -14.539 -7.042 1.00 4.82 H new ATOM 0 HE3 LYS A 118 -3.389 -14.512 -6.277 1.00 4.82 H new ATOM 0 HZ1 LYS A 118 -5.479 -13.418 -5.173 1.00 6.73 H new ATOM 0 HZ2 LYS A 118 -3.930 -12.748 -4.986 1.00 6.73 H new ATOM 0 HZ3 LYS A 118 -5.012 -12.083 -6.113 1.00 6.73 H new ATOM 1899 N SER A 119 -3.183 -8.817 -6.149 1.00 0.80 N ATOM 1900 CA SER A 119 -3.395 -8.197 -4.851 1.00 0.88 C ATOM 1901 C SER A 119 -4.809 -7.607 -4.711 1.00 0.93 C ATOM 1902 O SER A 119 -5.585 -8.064 -3.875 1.00 1.09 O ATOM 1903 CB SER A 119 -2.332 -7.106 -4.666 1.00 0.99 C ATOM 1904 OG SER A 119 -2.480 -6.461 -3.422 1.00 2.83 O ATOM 0 H SER A 119 -2.338 -8.478 -6.609 1.00 0.80 H new ATOM 0 HA SER A 119 -3.303 -8.958 -4.076 1.00 0.88 H new ATOM 0 HB2 SER A 119 -1.338 -7.547 -4.735 1.00 0.99 H new ATOM 0 HB3 SER A 119 -2.413 -6.375 -5.470 1.00 0.99 H new ATOM 0 HG SER A 119 -3.090 -5.700 -3.518 1.00 2.83 H new ATOM 1910 N PHE A 120 -5.123 -6.560 -5.486 1.00 0.92 N ATOM 1911 CA PHE A 120 -6.265 -5.685 -5.241 1.00 1.05 C ATOM 1912 C PHE A 120 -7.098 -5.437 -6.487 1.00 1.20 C ATOM 1913 O PHE A 120 -8.288 -5.738 -6.453 1.00 1.49 O ATOM 1914 CB PHE A 120 -5.802 -4.357 -4.621 1.00 1.04 C ATOM 1915 CG PHE A 120 -5.103 -4.478 -3.278 1.00 1.20 C ATOM 1916 CD1 PHE A 120 -5.640 -5.297 -2.267 1.00 2.27 C ATOM 1917 CD2 PHE A 120 -3.951 -3.714 -3.010 1.00 1.63 C ATOM 1918 CE1 PHE A 120 -4.975 -5.431 -1.040 1.00 2.53 C ATOM 1919 CE2 PHE A 120 -3.318 -3.806 -1.757 1.00 1.75 C ATOM 1920 CZ PHE A 120 -3.800 -4.704 -0.791 1.00 1.75 C ATOM 0 H PHE A 120 -4.581 -6.298 -6.309 1.00 0.92 H new ATOM 0 HA PHE A 120 -6.913 -6.203 -4.534 1.00 1.05 H new ATOM 0 HB2 PHE A 120 -5.127 -3.864 -5.321 1.00 1.04 H new ATOM 0 HB3 PHE A 120 -6.669 -3.708 -4.504 1.00 1.04 H new ATOM 0 HD1 PHE A 120 -6.567 -5.824 -2.437 1.00 2.27 H new ATOM 0 HD2 PHE A 120 -3.552 -3.056 -3.768 1.00 1.63 H new ATOM 0 HE1 PHE A 120 -5.368 -6.095 -0.284 1.00 2.53 H new ATOM 0 HE2 PHE A 120 -2.461 -3.186 -1.538 1.00 1.75 H new ATOM 0 HZ PHE A 120 -3.269 -4.835 0.140 1.00 1.75 H new ATOM 1930 N LYS A 121 -6.494 -4.934 -7.568 1.00 1.32 N ATOM 1931 CA LYS A 121 -6.993 -3.957 -8.542 1.00 1.71 C ATOM 1932 C LYS A 121 -6.570 -2.497 -8.238 1.00 1.81 C ATOM 1933 O LYS A 121 -7.378 -1.595 -7.998 1.00 2.25 O ATOM 1934 CB LYS A 121 -8.467 -4.196 -8.934 1.00 2.04 C ATOM 1935 CG LYS A 121 -9.538 -3.327 -8.267 1.00 2.22 C ATOM 1936 CD LYS A 121 -9.385 -3.114 -6.759 1.00 1.95 C ATOM 1937 CE LYS A 121 -10.176 -1.907 -6.247 1.00 2.29 C ATOM 1938 NZ LYS A 121 -9.757 -0.658 -6.923 1.00 3.17 N ATOM 0 H LYS A 121 -5.548 -5.231 -7.807 1.00 1.32 H new ATOM 0 HA LYS A 121 -6.466 -4.144 -9.477 1.00 1.71 H new ATOM 0 HB2 LYS A 121 -8.552 -4.062 -10.012 1.00 2.04 H new ATOM 0 HB3 LYS A 121 -8.704 -5.239 -8.723 1.00 2.04 H new ATOM 0 HG2 LYS A 121 -9.541 -2.352 -8.753 1.00 2.22 H new ATOM 0 HG3 LYS A 121 -10.512 -3.779 -8.453 1.00 2.22 H new ATOM 0 HD2 LYS A 121 -9.718 -4.010 -6.235 1.00 1.95 H new ATOM 0 HD3 LYS A 121 -8.330 -2.979 -6.521 1.00 1.95 H new ATOM 0 HE2 LYS A 121 -11.241 -2.072 -6.412 1.00 2.29 H new ATOM 0 HE3 LYS A 121 -10.032 -1.806 -5.171 1.00 2.29 H new ATOM 0 HZ1 LYS A 121 -9.790 0.131 -6.246 1.00 3.17 H new ATOM 0 HZ2 LYS A 121 -8.787 -0.766 -7.282 1.00 3.17 H new ATOM 0 HZ3 LYS A 121 -10.400 -0.460 -7.716 1.00 3.17 H new ATOM 1952 N ALA A 122 -5.255 -2.247 -8.288 1.00 1.60 N ATOM 1953 CA ALA A 122 -4.701 -0.908 -8.095 1.00 1.78 C ATOM 1954 C ALA A 122 -3.457 -0.678 -8.975 1.00 1.94 C ATOM 1955 O ALA A 122 -2.356 -0.533 -8.451 1.00 3.00 O ATOM 1956 CB ALA A 122 -4.388 -0.704 -6.607 1.00 1.72 C ATOM 0 H ALA A 122 -4.552 -2.965 -8.463 1.00 1.60 H new ATOM 0 HA ALA A 122 -5.439 -0.169 -8.406 1.00 1.78 H new ATOM 0 HB1 ALA A 122 -3.974 0.293 -6.456 1.00 1.72 H new ATOM 0 HB2 ALA A 122 -5.304 -0.809 -6.025 1.00 1.72 H new ATOM 0 HB3 ALA A 122 -3.664 -1.451 -6.282 1.00 1.72 H new ATOM 1962 N ILE A 123 -3.617 -0.674 -10.304 1.00 1.53 N ATOM 1963 CA ILE A 123 -2.509 -0.570 -11.259 1.00 1.55 C ATOM 1964 C ILE A 123 -2.342 0.863 -11.790 1.00 1.85 C ATOM 1965 O ILE A 123 -2.963 1.800 -11.297 1.00 2.84 O ATOM 1966 CB ILE A 123 -2.688 -1.591 -12.398 1.00 2.19 C ATOM 1967 CG1 ILE A 123 -3.898 -1.200 -13.267 1.00 3.56 C ATOM 1968 CG2 ILE A 123 -2.961 -2.983 -11.799 1.00 3.13 C ATOM 1969 CD1 ILE A 123 -3.808 -1.845 -14.640 1.00 4.76 C ATOM 0 H ILE A 123 -4.531 -0.744 -10.751 1.00 1.53 H new ATOM 0 HA ILE A 123 -1.585 -0.810 -10.734 1.00 1.55 H new ATOM 0 HB ILE A 123 -1.781 -1.605 -13.003 1.00 2.19 H new ATOM 0 HG12 ILE A 123 -4.820 -1.509 -12.775 1.00 3.56 H new ATOM 0 HG13 ILE A 123 -3.941 -0.116 -13.372 1.00 3.56 H new ATOM 0 HG21 ILE A 123 -3.088 -3.707 -12.604 1.00 3.13 H new ATOM 0 HG22 ILE A 123 -2.120 -3.281 -11.172 1.00 3.13 H new ATOM 0 HG23 ILE A 123 -3.868 -2.948 -11.196 1.00 3.13 H new ATOM 0 HD11 ILE A 123 -4.673 -1.555 -15.236 1.00 4.76 H new ATOM 0 HD12 ILE A 123 -2.897 -1.514 -15.138 1.00 4.76 H new ATOM 0 HD13 ILE A 123 -3.789 -2.929 -14.532 1.00 4.76 H new ATOM 2201 N SER A 138 -6.185 3.687 0.870 1.00 1.16 N ATOM 2202 CA SER A 138 -6.598 2.632 1.784 1.00 1.04 C ATOM 2203 C SER A 138 -5.398 1.965 2.451 1.00 0.81 C ATOM 2204 O SER A 138 -4.290 1.918 1.922 1.00 0.92 O ATOM 2205 CB SER A 138 -7.488 1.572 1.114 1.00 1.24 C ATOM 2206 OG SER A 138 -7.456 1.667 -0.301 1.00 2.46 O ATOM 0 HA SER A 138 -7.198 3.123 2.550 1.00 1.04 H new ATOM 0 HB2 SER A 138 -7.159 0.578 1.418 1.00 1.24 H new ATOM 0 HB3 SER A 138 -8.514 1.688 1.462 1.00 1.24 H new ATOM 0 HG SER A 138 -7.093 2.539 -0.562 1.00 2.46 H new ATOM 2212 N PHE A 139 -5.692 1.415 3.622 1.00 0.67 N ATOM 2213 CA PHE A 139 -4.843 0.609 4.466 1.00 0.51 C ATOM 2214 C PHE A 139 -5.227 -0.853 4.274 1.00 0.45 C ATOM 2215 O PHE A 139 -6.411 -1.167 4.143 1.00 0.51 O ATOM 2216 CB PHE A 139 -5.163 0.959 5.915 1.00 0.72 C ATOM 2217 CG PHE A 139 -4.231 1.975 6.512 1.00 0.83 C ATOM 2218 CD1 PHE A 139 -2.905 1.601 6.794 1.00 1.57 C ATOM 2219 CD2 PHE A 139 -4.693 3.261 6.834 1.00 2.48 C ATOM 2220 CE1 PHE A 139 -2.056 2.495 7.461 1.00 1.52 C ATOM 2221 CE2 PHE A 139 -3.853 4.143 7.527 1.00 2.70 C ATOM 2222 CZ PHE A 139 -2.549 3.745 7.864 1.00 1.30 C ATOM 0 H PHE A 139 -6.616 1.538 4.035 1.00 0.67 H new ATOM 0 HA PHE A 139 -3.794 0.780 4.227 1.00 0.51 H new ATOM 0 HB2 PHE A 139 -6.183 1.338 5.971 1.00 0.72 H new ATOM 0 HB3 PHE A 139 -5.128 0.050 6.515 1.00 0.72 H new ATOM 0 HD1 PHE A 139 -2.542 0.628 6.498 1.00 1.57 H new ATOM 0 HD2 PHE A 139 -5.689 3.568 6.550 1.00 2.48 H new ATOM 0 HE1 PHE A 139 -1.030 2.224 7.663 1.00 1.52 H new ATOM 0 HE2 PHE A 139 -4.207 5.126 7.801 1.00 2.70 H new ATOM 0 HZ PHE A 139 -1.920 4.408 8.439 1.00 1.30 H new ATOM 2232 N TYR A 140 -4.231 -1.733 4.339 1.00 0.48 N ATOM 2233 CA TYR A 140 -4.389 -3.173 4.213 1.00 0.54 C ATOM 2234 C TYR A 140 -3.443 -3.865 5.198 1.00 0.61 C ATOM 2235 O TYR A 140 -2.260 -3.529 5.239 1.00 0.85 O ATOM 2236 CB TYR A 140 -4.065 -3.576 2.769 1.00 0.62 C ATOM 2237 CG TYR A 140 -4.899 -2.876 1.713 1.00 0.75 C ATOM 2238 CD1 TYR A 140 -4.500 -1.625 1.204 1.00 2.31 C ATOM 2239 CD2 TYR A 140 -6.082 -3.470 1.242 1.00 1.52 C ATOM 2240 CE1 TYR A 140 -5.307 -0.957 0.268 1.00 2.90 C ATOM 2241 CE2 TYR A 140 -6.854 -2.831 0.258 1.00 1.55 C ATOM 2242 CZ TYR A 140 -6.477 -1.567 -0.216 1.00 1.94 C ATOM 2243 OH TYR A 140 -7.266 -0.921 -1.118 1.00 2.70 O ATOM 0 H TYR A 140 -3.262 -1.451 4.486 1.00 0.48 H new ATOM 0 HA TYR A 140 -5.411 -3.473 4.443 1.00 0.54 H new ATOM 0 HB2 TYR A 140 -3.012 -3.370 2.576 1.00 0.62 H new ATOM 0 HB3 TYR A 140 -4.203 -4.652 2.667 1.00 0.62 H new ATOM 0 HD1 TYR A 140 -3.573 -1.179 1.533 1.00 2.31 H new ATOM 0 HD2 TYR A 140 -6.399 -4.423 1.639 1.00 1.52 H new ATOM 0 HE1 TYR A 140 -5.028 0.027 -0.080 1.00 2.90 H new ATOM 0 HE2 TYR A 140 -7.738 -3.313 -0.133 1.00 1.55 H new ATOM 0 HH TYR A 140 -7.185 0.047 -0.989 1.00 2.70 H new ATOM 2253 N LEU A 141 -3.933 -4.821 5.992 1.00 0.54 N ATOM 2254 CA LEU A 141 -3.094 -5.694 6.811 1.00 0.55 C ATOM 2255 C LEU A 141 -2.868 -6.981 6.037 1.00 0.49 C ATOM 2256 O LEU A 141 -3.804 -7.759 5.814 1.00 0.53 O ATOM 2257 CB LEU A 141 -3.734 -5.937 8.185 1.00 0.67 C ATOM 2258 CG LEU A 141 -2.881 -6.835 9.111 1.00 0.64 C ATOM 2259 CD1 LEU A 141 -3.063 -6.373 10.561 1.00 1.04 C ATOM 2260 CD2 LEU A 141 -3.296 -8.312 9.026 1.00 0.88 C ATOM 0 H LEU A 141 -4.931 -5.011 6.084 1.00 0.54 H new ATOM 0 HA LEU A 141 -2.130 -5.226 7.011 1.00 0.55 H new ATOM 0 HB2 LEU A 141 -3.900 -4.977 8.675 1.00 0.67 H new ATOM 0 HB3 LEU A 141 -4.712 -6.397 8.045 1.00 0.67 H new ATOM 0 HG LEU A 141 -1.843 -6.748 8.789 1.00 0.64 H new ATOM 0 HD11 LEU A 141 -2.465 -7.001 11.221 1.00 1.04 H new ATOM 0 HD12 LEU A 141 -2.740 -5.336 10.656 1.00 1.04 H new ATOM 0 HD13 LEU A 141 -4.114 -6.452 10.839 1.00 1.04 H new ATOM 0 HD21 LEU A 141 -2.670 -8.905 9.693 1.00 0.88 H new ATOM 0 HD22 LEU A 141 -4.340 -8.414 9.322 1.00 0.88 H new ATOM 0 HD23 LEU A 141 -3.173 -8.666 8.003 1.00 0.88 H new ATOM 2272 N VAL A 142 -1.618 -7.192 5.620 1.00 0.44 N ATOM 2273 CA VAL A 142 -1.242 -8.371 4.878 1.00 0.43 C ATOM 2274 C VAL A 142 -0.896 -9.462 5.883 1.00 0.55 C ATOM 2275 O VAL A 142 -0.162 -9.229 6.843 1.00 0.76 O ATOM 2276 CB VAL A 142 -0.099 -8.060 3.908 1.00 0.41 C ATOM 2277 CG1 VAL A 142 0.120 -9.278 2.997 1.00 0.44 C ATOM 2278 CG2 VAL A 142 -0.425 -6.833 3.046 1.00 0.44 C ATOM 0 H VAL A 142 -0.848 -6.545 5.793 1.00 0.44 H new ATOM 0 HA VAL A 142 -2.065 -8.722 4.255 1.00 0.43 H new ATOM 0 HB VAL A 142 0.802 -7.844 4.483 1.00 0.41 H new ATOM 0 HG11 VAL A 142 0.932 -9.070 2.300 1.00 0.44 H new ATOM 0 HG12 VAL A 142 0.377 -10.146 3.605 1.00 0.44 H new ATOM 0 HG13 VAL A 142 -0.793 -9.484 2.439 1.00 0.44 H new ATOM 0 HG21 VAL A 142 0.404 -6.635 2.366 1.00 0.44 H new ATOM 0 HG22 VAL A 142 -1.330 -7.024 2.469 1.00 0.44 H new ATOM 0 HG23 VAL A 142 -0.581 -5.967 3.690 1.00 0.44 H new ATOM 2288 N GLY A 143 -1.471 -10.647 5.691 1.00 0.58 N ATOM 2289 CA GLY A 143 -1.203 -11.792 6.530 1.00 0.67 C ATOM 2290 C GLY A 143 0.204 -12.334 6.299 1.00 0.52 C ATOM 2291 O GLY A 143 0.955 -11.820 5.470 1.00 0.50 O ATOM 0 H GLY A 143 -2.139 -10.832 4.942 1.00 0.58 H new ATOM 0 HA2 GLY A 143 -1.320 -11.513 7.577 1.00 0.67 H new ATOM 0 HA3 GLY A 143 -1.934 -12.574 6.325 1.00 0.67 H new ATOM 2295 N PRO A 144 0.547 -13.406 7.021 1.00 0.63 N ATOM 2296 CA PRO A 144 1.853 -14.006 6.956 1.00 0.64 C ATOM 2297 C PRO A 144 1.992 -14.661 5.588 1.00 0.66 C ATOM 2298 O PRO A 144 2.797 -14.216 4.779 1.00 1.21 O ATOM 2299 CB PRO A 144 1.904 -14.984 8.132 1.00 0.80 C ATOM 2300 CG PRO A 144 0.445 -15.374 8.383 1.00 0.85 C ATOM 2301 CD PRO A 144 -0.369 -14.213 7.800 1.00 0.90 C ATOM 0 HA PRO A 144 2.688 -13.311 7.046 1.00 0.64 H new ATOM 0 HB2 PRO A 144 2.511 -15.857 7.894 1.00 0.80 H new ATOM 0 HB3 PRO A 144 2.346 -14.519 9.013 1.00 0.80 H new ATOM 0 HG2 PRO A 144 0.197 -16.317 7.896 1.00 0.85 H new ATOM 0 HG3 PRO A 144 0.246 -15.503 9.447 1.00 0.85 H new ATOM 0 HD2 PRO A 144 -1.181 -14.586 7.176 1.00 0.90 H new ATOM 0 HD3 PRO A 144 -0.823 -13.622 8.595 1.00 0.90 H new ATOM 2309 N ASP A 145 1.171 -15.666 5.282 1.00 0.78 N ATOM 2310 CA ASP A 145 1.172 -16.373 4.014 1.00 0.74 C ATOM 2311 C ASP A 145 0.444 -15.558 2.939 1.00 1.06 C ATOM 2312 O ASP A 145 -0.505 -16.028 2.316 1.00 2.14 O ATOM 2313 CB ASP A 145 0.567 -17.772 4.218 1.00 1.43 C ATOM 2314 CG ASP A 145 -0.852 -17.752 4.768 1.00 1.62 C ATOM 2315 OD1 ASP A 145 -1.150 -16.923 5.657 1.00 2.56 O ATOM 2316 OD2 ASP A 145 -1.675 -18.600 4.362 1.00 3.02 O ATOM 0 H ASP A 145 0.468 -16.016 5.933 1.00 0.78 H new ATOM 0 HA ASP A 145 2.193 -16.501 3.656 1.00 0.74 H new ATOM 0 HB2 ASP A 145 0.570 -18.302 3.265 1.00 1.43 H new ATOM 0 HB3 ASP A 145 1.203 -18.337 4.899 1.00 1.43 H new ATOM 2321 N GLY A 146 0.904 -14.328 2.693 1.00 0.77 N ATOM 2322 CA GLY A 146 0.567 -13.545 1.507 1.00 0.88 C ATOM 2323 C GLY A 146 -0.854 -12.971 1.477 1.00 0.63 C ATOM 2324 O GLY A 146 -1.088 -11.958 0.822 1.00 0.70 O ATOM 0 H GLY A 146 1.535 -13.841 3.329 1.00 0.77 H new ATOM 0 HA2 GLY A 146 1.275 -12.720 1.424 1.00 0.88 H new ATOM 0 HA3 GLY A 146 0.705 -14.173 0.627 1.00 0.88 H new ATOM 2328 N LYS A 147 -1.824 -13.613 2.127 1.00 0.83 N ATOM 2329 CA LYS A 147 -3.222 -13.239 2.014 1.00 0.78 C ATOM 2330 C LYS A 147 -3.560 -12.012 2.864 1.00 0.72 C ATOM 2331 O LYS A 147 -3.225 -11.959 4.045 1.00 0.72 O ATOM 2332 CB LYS A 147 -4.105 -14.446 2.311 1.00 0.85 C ATOM 2333 CG LYS A 147 -4.078 -14.795 3.799 1.00 0.82 C ATOM 2334 CD LYS A 147 -4.241 -16.298 4.029 1.00 0.83 C ATOM 2335 CE LYS A 147 -4.226 -16.600 5.533 1.00 1.27 C ATOM 2336 NZ LYS A 147 -3.806 -17.988 5.799 1.00 1.72 N ATOM 0 H LYS A 147 -1.656 -14.407 2.746 1.00 0.83 H new ATOM 0 HA LYS A 147 -3.424 -12.932 0.988 1.00 0.78 H new ATOM 0 HB2 LYS A 147 -5.129 -14.236 2.002 1.00 0.85 H new ATOM 0 HB3 LYS A 147 -3.765 -15.302 1.727 1.00 0.85 H new ATOM 0 HG2 LYS A 147 -3.137 -14.460 4.235 1.00 0.82 H new ATOM 0 HG3 LYS A 147 -4.876 -14.259 4.313 1.00 0.82 H new ATOM 0 HD2 LYS A 147 -5.177 -16.643 3.589 1.00 0.83 H new ATOM 0 HD3 LYS A 147 -3.436 -16.840 3.532 1.00 0.83 H new ATOM 0 HE2 LYS A 147 -3.549 -15.910 6.037 1.00 1.27 H new ATOM 0 HE3 LYS A 147 -5.219 -16.433 5.949 1.00 1.27 H new ATOM 0 HZ1 LYS A 147 -3.252 -18.021 6.679 1.00 1.72 H new ATOM 0 HZ2 LYS A 147 -4.647 -18.592 5.896 1.00 1.72 H new ATOM 0 HZ3 LYS A 147 -3.222 -18.331 5.010 1.00 1.72 H new ATOM 2350 N VAL A 148 -4.244 -11.031 2.282 1.00 0.71 N ATOM 2351 CA VAL A 148 -4.717 -9.861 3.004 1.00 0.73 C ATOM 2352 C VAL A 148 -5.959 -10.258 3.795 1.00 0.77 C ATOM 2353 O VAL A 148 -6.798 -11.002 3.280 1.00 0.81 O ATOM 2354 CB VAL A 148 -4.993 -8.696 2.044 1.00 0.81 C ATOM 2355 CG1 VAL A 148 -5.237 -7.404 2.825 1.00 0.97 C ATOM 2356 CG2 VAL A 148 -3.811 -8.492 1.089 1.00 1.24 C ATOM 0 H VAL A 148 -4.485 -11.028 1.291 1.00 0.71 H new ATOM 0 HA VAL A 148 -3.951 -9.511 3.695 1.00 0.73 H new ATOM 0 HB VAL A 148 -5.884 -8.942 1.466 1.00 0.81 H new ATOM 0 HG11 VAL A 148 -5.431 -6.589 2.128 1.00 0.97 H new ATOM 0 HG12 VAL A 148 -6.098 -7.533 3.482 1.00 0.97 H new ATOM 0 HG13 VAL A 148 -4.357 -7.168 3.423 1.00 0.97 H new ATOM 0 HG21 VAL A 148 -4.026 -7.662 0.416 1.00 1.24 H new ATOM 0 HG22 VAL A 148 -2.912 -8.270 1.665 1.00 1.24 H new ATOM 0 HG23 VAL A 148 -3.653 -9.400 0.506 1.00 1.24 H new ATOM 2366 N LEU A 149 -6.022 -9.802 5.052 1.00 0.82 N ATOM 2367 CA LEU A 149 -6.981 -10.267 6.047 1.00 0.83 C ATOM 2368 C LEU A 149 -7.961 -9.182 6.477 1.00 0.90 C ATOM 2369 O LEU A 149 -9.125 -9.500 6.711 1.00 1.12 O ATOM 2370 CB LEU A 149 -6.218 -10.779 7.272 1.00 0.82 C ATOM 2371 CG LEU A 149 -5.627 -12.172 7.013 1.00 0.82 C ATOM 2372 CD1 LEU A 149 -4.362 -12.351 7.855 1.00 1.01 C ATOM 2373 CD2 LEU A 149 -6.639 -13.255 7.398 1.00 1.27 C ATOM 0 H LEU A 149 -5.391 -9.084 5.408 1.00 0.82 H new ATOM 0 HA LEU A 149 -7.568 -11.064 5.590 1.00 0.83 H new ATOM 0 HB2 LEU A 149 -5.418 -10.082 7.523 1.00 0.82 H new ATOM 0 HB3 LEU A 149 -6.888 -10.819 8.131 1.00 0.82 H new ATOM 0 HG LEU A 149 -5.388 -12.263 5.953 1.00 0.82 H new ATOM 0 HD11 LEU A 149 -3.940 -13.340 7.673 1.00 1.01 H new ATOM 0 HD12 LEU A 149 -3.632 -11.589 7.581 1.00 1.01 H new ATOM 0 HD13 LEU A 149 -4.611 -12.252 8.912 1.00 1.01 H new ATOM 0 HD21 LEU A 149 -6.209 -14.239 7.210 1.00 1.27 H new ATOM 0 HD22 LEU A 149 -6.886 -13.163 8.456 1.00 1.27 H new ATOM 0 HD23 LEU A 149 -7.544 -13.135 6.803 1.00 1.27 H new ATOM 2385 N LYS A 150 -7.508 -7.938 6.642 1.00 0.77 N ATOM 2386 CA LYS A 150 -8.311 -6.855 7.197 1.00 0.74 C ATOM 2387 C LYS A 150 -7.869 -5.526 6.560 1.00 0.63 C ATOM 2388 O LYS A 150 -6.669 -5.327 6.356 1.00 0.67 O ATOM 2389 CB LYS A 150 -8.185 -6.885 8.727 1.00 1.05 C ATOM 2390 CG LYS A 150 -9.240 -7.798 9.384 1.00 1.43 C ATOM 2391 CD LYS A 150 -9.086 -7.836 10.912 1.00 1.73 C ATOM 2392 CE LYS A 150 -10.354 -8.323 11.640 1.00 2.95 C ATOM 2393 NZ LYS A 150 -10.830 -9.659 11.209 1.00 4.69 N ATOM 0 H LYS A 150 -6.561 -7.654 6.390 1.00 0.77 H new ATOM 0 HA LYS A 150 -9.370 -6.972 6.965 1.00 0.74 H new ATOM 0 HB2 LYS A 150 -7.188 -7.231 9.000 1.00 1.05 H new ATOM 0 HB3 LYS A 150 -8.290 -5.873 9.118 1.00 1.05 H new ATOM 0 HG2 LYS A 150 -10.238 -7.444 9.128 1.00 1.43 H new ATOM 0 HG3 LYS A 150 -9.148 -8.808 8.984 1.00 1.43 H new ATOM 0 HD2 LYS A 150 -8.253 -8.490 11.170 1.00 1.73 H new ATOM 0 HD3 LYS A 150 -8.831 -6.838 11.270 1.00 1.73 H new ATOM 0 HE2 LYS A 150 -10.156 -8.349 12.712 1.00 2.95 H new ATOM 0 HE3 LYS A 150 -11.152 -7.597 11.481 1.00 2.95 H new ATOM 0 HZ1 LYS A 150 -11.684 -9.913 11.745 1.00 4.69 H new ATOM 0 HZ2 LYS A 150 -11.052 -9.637 10.193 1.00 4.69 H new ATOM 0 HZ3 LYS A 150 -10.088 -10.366 11.386 1.00 4.69 H new ATOM 2407 N ASP A 151 -8.837 -4.652 6.243 1.00 0.70 N ATOM 2408 CA ASP A 151 -8.732 -3.510 5.329 1.00 0.77 C ATOM 2409 C ASP A 151 -9.422 -2.300 5.963 1.00 1.07 C ATOM 2410 O ASP A 151 -10.403 -2.445 6.691 1.00 1.67 O ATOM 2411 CB ASP A 151 -9.400 -3.826 3.979 1.00 0.91 C ATOM 2412 CG ASP A 151 -8.620 -4.766 3.070 1.00 1.16 C ATOM 2413 OD1 ASP A 151 -7.664 -5.410 3.553 1.00 2.17 O ATOM 2414 OD2 ASP A 151 -9.007 -4.835 1.884 1.00 1.95 O ATOM 0 H ASP A 151 -9.771 -4.731 6.645 1.00 0.70 H new ATOM 0 HA ASP A 151 -7.678 -3.297 5.152 1.00 0.77 H new ATOM 0 HB2 ASP A 151 -10.380 -4.263 4.171 1.00 0.91 H new ATOM 0 HB3 ASP A 151 -9.567 -2.889 3.447 1.00 0.91 H new ATOM 2419 N TYR A 152 -8.912 -1.099 5.689 1.00 0.86 N ATOM 2420 CA TYR A 152 -9.326 0.144 6.322 1.00 0.89 C ATOM 2421 C TYR A 152 -9.143 1.272 5.309 1.00 0.98 C ATOM 2422 O TYR A 152 -8.338 1.144 4.390 1.00 1.06 O ATOM 2423 CB TYR A 152 -8.585 0.440 7.633 1.00 1.06 C ATOM 2424 CG TYR A 152 -8.659 -0.656 8.669 1.00 1.57 C ATOM 2425 CD1 TYR A 152 -7.793 -1.762 8.588 1.00 3.00 C ATOM 2426 CD2 TYR A 152 -9.681 -0.635 9.633 1.00 2.74 C ATOM 2427 CE1 TYR A 152 -8.083 -2.922 9.322 1.00 4.33 C ATOM 2428 CE2 TYR A 152 -9.916 -1.768 10.425 1.00 4.00 C ATOM 2429 CZ TYR A 152 -9.198 -2.950 10.174 1.00 4.57 C ATOM 2430 OH TYR A 152 -9.713 -4.145 10.586 1.00 6.21 O ATOM 0 H TYR A 152 -8.175 -0.965 4.997 1.00 0.86 H new ATOM 0 HA TYR A 152 -10.373 0.053 6.610 1.00 0.89 H new ATOM 0 HB2 TYR A 152 -7.537 0.633 7.405 1.00 1.06 H new ATOM 0 HB3 TYR A 152 -8.991 1.355 8.064 1.00 1.06 H new ATOM 0 HD1 TYR A 152 -6.912 -1.718 7.965 1.00 3.00 H new ATOM 0 HD2 TYR A 152 -10.284 0.251 9.764 1.00 2.74 H new ATOM 0 HE1 TYR A 152 -7.449 -3.792 9.232 1.00 4.33 H new ATOM 0 HE2 TYR A 152 -10.644 -1.733 11.222 1.00 4.00 H new ATOM 0 HH TYR A 152 -9.838 -4.732 9.811 1.00 6.21 H new ATOM 2440 N ASN A 153 -9.865 2.379 5.468 1.00 1.08 N ATOM 2441 CA ASN A 153 -9.749 3.561 4.642 1.00 1.17 C ATOM 2442 C ASN A 153 -9.113 4.665 5.467 1.00 1.27 C ATOM 2443 O ASN A 153 -8.075 5.202 5.088 1.00 2.45 O ATOM 2444 CB ASN A 153 -11.124 3.950 4.116 1.00 1.26 C ATOM 2445 CG ASN A 153 -10.978 5.022 3.048 1.00 1.64 C ATOM 2446 OD1 ASN A 153 -10.135 4.926 2.161 1.00 2.39 O ATOM 2447 ND2 ASN A 153 -11.769 6.075 3.154 1.00 1.71 N ATOM 0 H ASN A 153 -10.568 2.473 6.202 1.00 1.08 H new ATOM 0 HA ASN A 153 -9.114 3.374 3.776 1.00 1.17 H new ATOM 0 HB2 ASN A 153 -11.626 3.076 3.702 1.00 1.26 H new ATOM 0 HB3 ASN A 153 -11.746 4.318 4.932 1.00 1.26 H new ATOM 0 HD21 ASN A 153 -11.690 6.842 2.486 1.00 1.71 H new ATOM 0 HD22 ASN A 153 -12.459 6.121 3.904 1.00 1.71 H new ATOM 2520 N PRO A 159 -13.945 1.441 7.188 1.00 1.78 N ATOM 2521 CA PRO A 159 -13.163 0.222 7.074 1.00 1.53 C ATOM 2522 C PRO A 159 -12.850 -0.102 5.607 1.00 1.24 C ATOM 2523 O PRO A 159 -11.945 0.508 5.057 1.00 1.37 O ATOM 2524 CB PRO A 159 -13.926 -0.847 7.849 1.00 1.59 C ATOM 2525 CG PRO A 159 -15.375 -0.356 7.819 1.00 1.37 C ATOM 2526 CD PRO A 159 -15.285 1.157 7.642 1.00 1.53 C ATOM 0 HA PRO A 159 -12.169 0.309 7.514 1.00 1.53 H new ATOM 0 HB2 PRO A 159 -13.826 -1.827 7.382 1.00 1.59 H new ATOM 0 HB3 PRO A 159 -13.557 -0.941 8.870 1.00 1.59 H new ATOM 0 HG2 PRO A 159 -15.929 -0.815 7.000 1.00 1.37 H new ATOM 0 HG3 PRO A 159 -15.897 -0.614 8.741 1.00 1.37 H new ATOM 0 HD2 PRO A 159 -16.021 1.507 6.918 1.00 1.53 H new ATOM 0 HD3 PRO A 159 -15.493 1.670 8.581 1.00 1.53 H new ATOM 2534 N TYR A 160 -13.632 -0.936 4.919 1.00 1.25 N ATOM 2535 CA TYR A 160 -13.292 -1.844 3.830 1.00 1.34 C ATOM 2536 C TYR A 160 -13.029 -3.286 4.244 1.00 1.51 C ATOM 2537 O TYR A 160 -13.235 -4.120 3.370 1.00 1.53 O ATOM 2538 CB TYR A 160 -12.078 -1.388 3.015 1.00 1.66 C ATOM 2539 CG TYR A 160 -12.276 -0.203 2.094 1.00 1.86 C ATOM 2540 CD1 TYR A 160 -13.218 -0.298 1.058 1.00 2.46 C ATOM 2541 CD2 TYR A 160 -11.329 0.833 2.061 1.00 2.95 C ATOM 2542 CE1 TYR A 160 -13.098 0.499 -0.086 1.00 2.64 C ATOM 2543 CE2 TYR A 160 -11.317 1.738 0.988 1.00 3.35 C ATOM 2544 CZ TYR A 160 -12.131 1.518 -0.136 1.00 2.62 C ATOM 2545 OH TYR A 160 -11.965 2.300 -1.244 1.00 3.17 O ATOM 0 H TYR A 160 -14.626 -0.995 5.138 1.00 1.25 H new ATOM 0 HA TYR A 160 -14.199 -1.811 3.227 1.00 1.34 H new ATOM 0 HB2 TYR A 160 -11.274 -1.146 3.710 1.00 1.66 H new ATOM 0 HB3 TYR A 160 -11.737 -2.231 2.414 1.00 1.66 H new ATOM 0 HD1 TYR A 160 -14.042 -0.991 1.144 1.00 2.46 H new ATOM 0 HD2 TYR A 160 -10.610 0.934 2.861 1.00 2.95 H new ATOM 0 HE1 TYR A 160 -13.749 0.331 -0.931 1.00 2.64 H new ATOM 0 HE2 TYR A 160 -10.679 2.608 1.027 1.00 3.35 H new ATOM 0 HH TYR A 160 -11.248 2.948 -1.083 1.00 3.17 H new ATOM 2555 N ASP A 161 -12.754 -3.661 5.503 1.00 1.76 N ATOM 2556 CA ASP A 161 -12.749 -5.087 5.852 1.00 2.05 C ATOM 2557 C ASP A 161 -14.048 -5.731 5.377 1.00 1.71 C ATOM 2558 O ASP A 161 -14.067 -6.746 4.688 1.00 1.66 O ATOM 2559 CB ASP A 161 -12.723 -5.323 7.370 1.00 2.72 C ATOM 2560 CG ASP A 161 -11.721 -4.563 8.204 1.00 3.25 C ATOM 2561 OD1 ASP A 161 -10.565 -5.026 8.291 1.00 3.82 O ATOM 2562 OD2 ASP A 161 -12.167 -3.631 8.910 1.00 4.03 O ATOM 0 H ASP A 161 -12.540 -3.023 6.269 1.00 1.76 H new ATOM 0 HA ASP A 161 -11.858 -5.508 5.385 1.00 2.05 H new ATOM 0 HB2 ASP A 161 -13.716 -5.095 7.757 1.00 2.72 H new ATOM 0 HB3 ASP A 161 -12.553 -6.387 7.536 1.00 2.72 H new ATOM 2567 N ASP A 162 -15.131 -5.078 5.781 1.00 1.59 N ATOM 2568 CA ASP A 162 -16.515 -5.414 5.569 1.00 1.58 C ATOM 2569 C ASP A 162 -16.792 -5.444 4.074 1.00 1.16 C ATOM 2570 O ASP A 162 -17.190 -6.472 3.535 1.00 1.29 O ATOM 2571 CB ASP A 162 -17.383 -4.371 6.302 1.00 1.76 C ATOM 2572 CG ASP A 162 -17.088 -2.909 5.950 1.00 1.97 C ATOM 2573 OD1 ASP A 162 -15.958 -2.636 5.466 1.00 2.95 O ATOM 2574 OD2 ASP A 162 -17.990 -2.077 6.169 1.00 2.75 O ATOM 0 H ASP A 162 -15.042 -4.215 6.318 1.00 1.59 H new ATOM 0 HA ASP A 162 -16.754 -6.400 5.968 1.00 1.58 H new ATOM 0 HB2 ASP A 162 -18.431 -4.576 6.082 1.00 1.76 H new ATOM 0 HB3 ASP A 162 -17.251 -4.503 7.376 1.00 1.76 H new ATOM 2579 N ILE A 163 -16.562 -4.317 3.401 1.00 0.87 N ATOM 2580 CA ILE A 163 -16.909 -4.149 2.001 1.00 0.87 C ATOM 2581 C ILE A 163 -16.138 -5.181 1.173 1.00 0.78 C ATOM 2582 O ILE A 163 -16.726 -5.969 0.433 1.00 0.89 O ATOM 2583 CB ILE A 163 -16.627 -2.705 1.553 1.00 0.99 C ATOM 2584 CG1 ILE A 163 -17.413 -1.666 2.381 1.00 1.13 C ATOM 2585 CG2 ILE A 163 -16.959 -2.508 0.067 1.00 1.36 C ATOM 2586 CD1 ILE A 163 -16.510 -0.531 2.882 1.00 1.11 C ATOM 0 H ILE A 163 -16.127 -3.494 3.819 1.00 0.87 H new ATOM 0 HA ILE A 163 -17.975 -4.321 1.849 1.00 0.87 H new ATOM 0 HB ILE A 163 -15.562 -2.544 1.717 1.00 0.99 H new ATOM 0 HG12 ILE A 163 -18.216 -1.249 1.773 1.00 1.13 H new ATOM 0 HG13 ILE A 163 -17.882 -2.160 3.232 1.00 1.13 H new ATOM 0 HG21 ILE A 163 -16.749 -1.477 -0.219 1.00 1.36 H new ATOM 0 HG22 ILE A 163 -16.350 -3.183 -0.534 1.00 1.36 H new ATOM 0 HG23 ILE A 163 -18.014 -2.724 -0.102 1.00 1.36 H new ATOM 0 HD11 ILE A 163 -17.103 0.178 3.460 1.00 1.11 H new ATOM 0 HD12 ILE A 163 -15.722 -0.944 3.512 1.00 1.11 H new ATOM 0 HD13 ILE A 163 -16.062 -0.019 2.030 1.00 1.11 H new ATOM 2598 N ILE A 164 -14.807 -5.191 1.285 1.00 0.83 N ATOM 2599 CA ILE A 164 -13.976 -6.097 0.525 1.00 1.00 C ATOM 2600 C ILE A 164 -14.321 -7.544 0.875 1.00 0.93 C ATOM 2601 O ILE A 164 -14.493 -8.341 -0.044 1.00 0.96 O ATOM 2602 CB ILE A 164 -12.503 -5.711 0.724 1.00 1.36 C ATOM 2603 CG1 ILE A 164 -12.092 -4.557 -0.197 1.00 1.66 C ATOM 2604 CG2 ILE A 164 -11.562 -6.881 0.458 1.00 1.63 C ATOM 2605 CD1 ILE A 164 -13.054 -3.373 -0.230 1.00 1.61 C ATOM 0 H ILE A 164 -14.288 -4.570 1.905 1.00 0.83 H new ATOM 0 HA ILE A 164 -14.168 -6.014 -0.545 1.00 1.00 H new ATOM 0 HB ILE A 164 -12.418 -5.405 1.767 1.00 1.36 H new ATOM 0 HG12 ILE A 164 -11.111 -4.198 0.114 1.00 1.66 H new ATOM 0 HG13 ILE A 164 -11.984 -4.944 -1.210 1.00 1.66 H new ATOM 0 HG21 ILE A 164 -10.531 -6.561 0.611 1.00 1.63 H new ATOM 0 HG22 ILE A 164 -11.794 -7.697 1.142 1.00 1.63 H new ATOM 0 HG23 ILE A 164 -11.687 -7.222 -0.570 1.00 1.63 H new ATOM 0 HD11 ILE A 164 -12.672 -2.612 -0.911 1.00 1.61 H new ATOM 0 HD12 ILE A 164 -14.032 -3.709 -0.574 1.00 1.61 H new ATOM 0 HD13 ILE A 164 -13.146 -2.951 0.771 1.00 1.61 H new ATOM 2617 N SER A 165 -14.450 -7.899 2.160 1.00 1.05 N ATOM 2618 CA SER A 165 -14.849 -9.249 2.552 1.00 1.25 C ATOM 2619 C SER A 165 -16.150 -9.638 1.865 1.00 1.14 C ATOM 2620 O SER A 165 -16.209 -10.685 1.231 1.00 1.23 O ATOM 2621 CB SER A 165 -15.023 -9.357 4.068 1.00 1.67 C ATOM 2622 OG SER A 165 -15.451 -10.652 4.446 1.00 2.55 O ATOM 0 H SER A 165 -14.283 -7.267 2.943 1.00 1.05 H new ATOM 0 HA SER A 165 -14.056 -9.930 2.243 1.00 1.25 H new ATOM 0 HB2 SER A 165 -14.079 -9.125 4.562 1.00 1.67 H new ATOM 0 HB3 SER A 165 -15.750 -8.618 4.406 1.00 1.67 H new ATOM 0 HG SER A 165 -16.005 -10.591 5.252 1.00 2.55 H new ATOM 2628 N ASP A 166 -17.185 -8.802 1.969 1.00 1.11 N ATOM 2629 CA ASP A 166 -18.483 -9.080 1.377 1.00 1.30 C ATOM 2630 C ASP A 166 -18.331 -9.342 -0.119 1.00 1.24 C ATOM 2631 O ASP A 166 -18.701 -10.401 -0.627 1.00 1.42 O ATOM 2632 CB ASP A 166 -19.424 -7.904 1.642 1.00 1.43 C ATOM 2633 CG ASP A 166 -20.748 -8.124 0.924 1.00 1.78 C ATOM 2634 OD1 ASP A 166 -21.614 -8.798 1.518 1.00 2.63 O ATOM 2635 OD2 ASP A 166 -20.850 -7.641 -0.224 1.00 2.39 O ATOM 0 H ASP A 166 -17.141 -7.913 2.468 1.00 1.11 H new ATOM 0 HA ASP A 166 -18.911 -9.974 1.830 1.00 1.30 H new ATOM 0 HB2 ASP A 166 -19.595 -7.799 2.713 1.00 1.43 H new ATOM 0 HB3 ASP A 166 -18.965 -6.976 1.300 1.00 1.43 H new ATOM 2640 N VAL A 167 -17.720 -8.396 -0.828 1.00 1.10 N ATOM 2641 CA VAL A 167 -17.617 -8.474 -2.271 1.00 1.31 C ATOM 2642 C VAL A 167 -16.734 -9.662 -2.691 1.00 1.24 C ATOM 2643 O VAL A 167 -17.018 -10.318 -3.692 1.00 1.51 O ATOM 2644 CB VAL A 167 -17.167 -7.111 -2.825 1.00 1.48 C ATOM 2645 CG1 VAL A 167 -17.103 -7.127 -4.355 1.00 1.93 C ATOM 2646 CG2 VAL A 167 -18.186 -6.016 -2.459 1.00 1.64 C ATOM 0 H VAL A 167 -17.290 -7.567 -0.419 1.00 1.10 H new ATOM 0 HA VAL A 167 -18.591 -8.679 -2.715 1.00 1.31 H new ATOM 0 HB VAL A 167 -16.186 -6.912 -2.394 1.00 1.48 H new ATOM 0 HG11 VAL A 167 -16.782 -6.150 -4.716 1.00 1.93 H new ATOM 0 HG12 VAL A 167 -16.392 -7.886 -4.682 1.00 1.93 H new ATOM 0 HG13 VAL A 167 -18.089 -7.357 -4.758 1.00 1.93 H new ATOM 0 HG21 VAL A 167 -17.851 -5.059 -2.859 1.00 1.64 H new ATOM 0 HG22 VAL A 167 -19.158 -6.267 -2.884 1.00 1.64 H new ATOM 0 HG23 VAL A 167 -18.271 -5.946 -1.375 1.00 1.64 H new ATOM 2656 N LYS A 168 -15.640 -9.959 -1.979 1.00 1.02 N ATOM 2657 CA LYS A 168 -14.813 -11.138 -2.245 1.00 1.08 C ATOM 2658 C LYS A 168 -15.539 -12.435 -1.885 1.00 1.08 C ATOM 2659 O LYS A 168 -15.377 -13.436 -2.587 1.00 1.13 O ATOM 2660 CB LYS A 168 -13.441 -11.044 -1.560 1.00 1.26 C ATOM 2661 CG LYS A 168 -12.348 -10.477 -2.482 1.00 1.89 C ATOM 2662 CD LYS A 168 -12.548 -9.008 -2.887 1.00 2.45 C ATOM 2663 CE LYS A 168 -12.734 -8.782 -4.397 1.00 2.94 C ATOM 2664 NZ LYS A 168 -14.071 -9.175 -4.890 1.00 3.96 N ATOM 0 H LYS A 168 -15.305 -9.388 -1.203 1.00 1.02 H new ATOM 0 HA LYS A 168 -14.631 -11.161 -3.319 1.00 1.08 H new ATOM 0 HB2 LYS A 168 -13.525 -10.414 -0.675 1.00 1.26 H new ATOM 0 HB3 LYS A 168 -13.143 -12.035 -1.218 1.00 1.26 H new ATOM 0 HG2 LYS A 168 -11.384 -10.574 -1.982 1.00 1.89 H new ATOM 0 HG3 LYS A 168 -12.302 -11.086 -3.385 1.00 1.89 H new ATOM 0 HD2 LYS A 168 -13.420 -8.616 -2.364 1.00 2.45 H new ATOM 0 HD3 LYS A 168 -11.687 -8.431 -2.549 1.00 2.45 H new ATOM 0 HE2 LYS A 168 -12.567 -7.729 -4.622 1.00 2.94 H new ATOM 0 HE3 LYS A 168 -11.975 -9.348 -4.938 1.00 2.94 H new ATOM 0 HZ1 LYS A 168 -14.294 -8.640 -5.753 1.00 3.96 H new ATOM 0 HZ2 LYS A 168 -14.077 -10.193 -5.102 1.00 3.96 H new ATOM 0 HZ3 LYS A 168 -14.784 -8.969 -4.161 1.00 3.96 H new ATOM 2678 N SER A 169 -16.344 -12.420 -0.824 1.00 1.19 N ATOM 2679 CA SER A 169 -17.198 -13.533 -0.449 1.00 1.49 C ATOM 2680 C SER A 169 -18.093 -13.846 -1.641 1.00 1.63 C ATOM 2681 O SER A 169 -17.988 -14.919 -2.235 1.00 1.79 O ATOM 2682 CB SER A 169 -17.972 -13.233 0.845 1.00 1.79 C ATOM 2683 OG SER A 169 -18.725 -14.364 1.232 1.00 2.19 O ATOM 0 H SER A 169 -16.418 -11.620 -0.195 1.00 1.19 H new ATOM 0 HA SER A 169 -16.608 -14.419 -0.216 1.00 1.49 H new ATOM 0 HB2 SER A 169 -17.277 -12.960 1.639 1.00 1.79 H new ATOM 0 HB3 SER A 169 -18.634 -12.380 0.693 1.00 1.79 H new ATOM 0 HG SER A 169 -19.213 -14.165 2.058 1.00 2.19 H new ATOM 2689 N ALA A 170 -18.876 -12.846 -2.050 1.00 1.68 N ATOM 2690 CA ALA A 170 -19.711 -12.879 -3.239 1.00 2.01 C ATOM 2691 C ALA A 170 -18.925 -13.301 -4.485 1.00 1.99 C ATOM 2692 O ALA A 170 -19.466 -14.024 -5.315 1.00 2.33 O ATOM 2693 CB ALA A 170 -20.380 -11.517 -3.436 1.00 2.15 C ATOM 0 H ALA A 170 -18.944 -11.964 -1.542 1.00 1.68 H new ATOM 0 HA ALA A 170 -20.482 -13.635 -3.092 1.00 2.01 H new ATOM 0 HB1 ALA A 170 -21.005 -11.545 -4.328 1.00 2.15 H new ATOM 0 HB2 ALA A 170 -20.997 -11.286 -2.568 1.00 2.15 H new ATOM 0 HB3 ALA A 170 -19.615 -10.749 -3.553 1.00 2.15 H new ATOM 2699 N SER A 171 -17.665 -12.862 -4.630 1.00 1.68 N ATOM 2700 CA SER A 171 -16.818 -13.341 -5.720 1.00 1.75 C ATOM 2701 C SER A 171 -16.704 -14.870 -5.654 1.00 1.71 C ATOM 2702 O SER A 171 -17.161 -15.544 -6.572 1.00 2.12 O ATOM 2703 CB SER A 171 -15.428 -12.678 -5.736 1.00 1.66 C ATOM 2704 OG SER A 171 -15.503 -11.263 -5.661 1.00 2.25 O ATOM 0 H SER A 171 -17.219 -12.184 -4.012 1.00 1.68 H new ATOM 0 HA SER A 171 -17.296 -13.055 -6.657 1.00 1.75 H new ATOM 0 HB2 SER A 171 -14.840 -13.053 -4.898 1.00 1.66 H new ATOM 0 HB3 SER A 171 -14.903 -12.964 -6.647 1.00 1.66 H new ATOM 0 HG SER A 171 -16.014 -11.004 -4.866 1.00 2.25 H new ATOM 2710 N THR A 172 -16.083 -15.400 -4.591 1.00 1.50 N ATOM 2711 CA THR A 172 -15.963 -16.845 -4.329 1.00 1.64 C ATOM 2712 C THR A 172 -15.314 -17.152 -2.973 1.00 1.64 C ATOM 2713 O THR A 172 -14.762 -18.229 -2.773 1.00 1.89 O ATOM 2714 CB THR A 172 -15.185 -17.524 -5.470 1.00 2.04 C ATOM 2715 OG1 THR A 172 -15.064 -18.920 -5.294 1.00 2.33 O ATOM 2716 CG2 THR A 172 -13.795 -16.924 -5.709 1.00 3.04 C ATOM 0 H THR A 172 -15.640 -14.826 -3.873 1.00 1.50 H new ATOM 0 HA THR A 172 -16.974 -17.250 -4.287 1.00 1.64 H new ATOM 0 HB THR A 172 -15.792 -17.330 -6.355 1.00 2.04 H new ATOM 0 HG1 THR A 172 -14.886 -19.117 -4.351 1.00 2.33 H new ATOM 0 HG21 THR A 172 -13.306 -17.453 -6.527 1.00 3.04 H new ATOM 0 HG22 THR A 172 -13.893 -15.869 -5.966 1.00 3.04 H new ATOM 0 HG23 THR A 172 -13.196 -17.023 -4.804 1.00 3.04 H new