USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=38 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 150 LYS NZ :NH3+ 145:sc= 1.33 (180deg=0) USER MOD Set 1.2: A 152 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.1: A 67 ASN : amide:sc= -0.761 X(o=-1.9,f=-1.6) USER MOD Set 2.2: A 100 ASN : amide:sc= -1.18 X(o=-1.9,f=-2.3) USER MOD Set 3.1: A 19 GLN : amide:sc= 1 K(o=1.9,f=-0.017) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.861 K(o=1.9,f=-0.39) USER MOD Set 4.1: A 21 GLN : amide:sc= 0.378 K(o=1.5,f=-13!) USER MOD Set 4.2: A 88 LYS NZ :NH3+ -148:sc= 1.1 (180deg=-0.068) USER MOD Set 5.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 27 SER OG : rot -175:sc= 0.957 USER MOD Set 6.1: A 11 TYR OH : rot -153:sc= 1.64 USER MOD Set 6.2: A 168 LYS NZ :NH3+ -151:sc= 1.26 (180deg=0.0372) USER MOD Set 7.1: A 10 ASN : amide:sc= 0.314 K(o=2.4,f=-7.3!) USER MOD Set 7.2: A 147 LYS NZ :NH3+ 171:sc= 2.08 (180deg=1.03) USER MOD Single : A 20 ASN : amide:sc= 0.616 K(o=0.62,f=-14!) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.16) USER MOD Single : A 30 SER OG : rot -140:sc= 0.659 USER MOD Single : A 32 LYS NZ :NH3+ 139:sc= 1.23 (180deg=0.742) USER MOD Single : A 43 THR OG1 : rot -62:sc= 1.23 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 74:sc= 1.38 USER MOD Single : A 55 HIS : no HE2:sc= -0.459 K(o=-0.46,f=-1.2) USER MOD Single : A 56 MET CE :methyl 164:sc= 0 (180deg=-0.35) USER MOD Single : A 57 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 60 GLN : amide:sc= 0.895 K(o=0.9,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.017) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= 0.937 (180deg=-0.184!) USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= 0.85 (180deg=0.592) USER MOD Single : A 74 SER OG : rot -105:sc= 2.04 USER MOD Single : A 76 SER OG : rot 159:sc= 0.815 USER MOD Single : A 81 ASN : amide:sc= 2.05 K(o=2,f=-0.24) USER MOD Single : A 83 LYS NZ :NH3+ -156:sc= 1.13 (180deg=-0.0914) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0.726 K(o=0.73,f=-0.33) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.2) USER MOD Single : A 94 TYR OH : rot 33:sc= 1.04 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -77:sc= 1.29 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 99:sc= 0.716 USER MOD Single : A 109 GLN : amide:sc= -2.91 X(o=-2.9,f=-2.7!) USER MOD Single : A 110 SER OG : rot 180:sc= 0.123 USER MOD Single : A 118 LYS NZ :NH3+ 170:sc= 0.983 (180deg=0.0337) USER MOD Single : A 119 SER OG : rot 86:sc= 1.14 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 160:sc= 0.342 USER MOD Single : A 140 TYR OH : rot -112:sc= 1.25 USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot -40:sc= 1.2 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 171 SER OG : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot -18:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -15.526 -9.794 9.752 1.00 0.98 N ATOM 113 CA ASP A 7 -15.184 -9.591 8.349 1.00 0.79 C ATOM 114 C ASP A 7 -13.715 -9.960 8.062 1.00 0.68 C ATOM 115 O ASP A 7 -12.920 -9.109 7.674 1.00 0.78 O ATOM 116 CB ASP A 7 -15.470 -8.113 7.999 1.00 1.00 C ATOM 117 CG ASP A 7 -14.965 -7.084 9.023 1.00 1.86 C ATOM 118 OD1 ASP A 7 -14.428 -7.501 10.079 1.00 2.39 O ATOM 119 OD2 ASP A 7 -15.192 -5.884 8.769 1.00 3.08 O ATOM 0 HA ASP A 7 -15.790 -10.247 7.725 1.00 0.79 H new ATOM 0 HB2 ASP A 7 -15.017 -7.892 7.033 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -16.546 -7.986 7.882 1.00 1.00 H new ATOM 124 N PRO A 8 -13.320 -11.238 8.211 1.00 0.79 N ATOM 125 CA PRO A 8 -11.971 -11.688 7.891 1.00 0.88 C ATOM 126 C PRO A 8 -11.778 -11.807 6.374 1.00 0.76 C ATOM 127 O PRO A 8 -12.726 -12.114 5.653 1.00 0.99 O ATOM 128 CB PRO A 8 -11.851 -13.060 8.560 1.00 1.20 C ATOM 129 CG PRO A 8 -13.280 -13.601 8.476 1.00 1.26 C ATOM 130 CD PRO A 8 -14.132 -12.347 8.685 1.00 1.06 C ATOM 0 HA PRO A 8 -11.212 -10.988 8.241 1.00 0.88 H new ATOM 0 HB2 PRO A 8 -11.143 -13.704 8.039 1.00 1.20 H new ATOM 0 HB3 PRO A 8 -11.509 -12.979 9.592 1.00 1.20 H new ATOM 0 HG2 PRO A 8 -13.479 -14.069 7.512 1.00 1.26 H new ATOM 0 HG3 PRO A 8 -13.473 -14.353 9.241 1.00 1.26 H new ATOM 0 HD2 PRO A 8 -15.068 -12.412 8.130 1.00 1.06 H new ATOM 0 HD3 PRO A 8 -14.392 -12.221 9.736 1.00 1.06 H new ATOM 138 N LEU A 9 -10.546 -11.598 5.889 1.00 0.73 N ATOM 139 CA LEU A 9 -10.164 -11.805 4.490 1.00 0.66 C ATOM 140 C LEU A 9 -9.001 -12.804 4.394 1.00 0.66 C ATOM 141 O LEU A 9 -8.367 -13.156 5.389 1.00 0.70 O ATOM 142 CB LEU A 9 -9.902 -10.504 3.703 1.00 0.69 C ATOM 143 CG LEU A 9 -9.787 -9.248 4.561 1.00 0.78 C ATOM 144 CD1 LEU A 9 -8.946 -8.202 3.849 1.00 0.91 C ATOM 145 CD2 LEU A 9 -11.156 -8.658 4.883 1.00 0.80 C ATOM 0 H LEU A 9 -9.774 -11.274 6.472 1.00 0.73 H new ATOM 0 HA LEU A 9 -11.031 -12.240 3.992 1.00 0.66 H new ATOM 0 HB2 LEU A 9 -8.982 -10.621 3.131 1.00 0.69 H new ATOM 0 HB3 LEU A 9 -10.709 -10.363 2.984 1.00 0.69 H new ATOM 0 HG LEU A 9 -9.308 -9.536 5.497 1.00 0.78 H new ATOM 0 HD11 LEU A 9 -8.871 -7.310 4.471 1.00 0.91 H new ATOM 0 HD12 LEU A 9 -7.948 -8.601 3.665 1.00 0.91 H new ATOM 0 HD13 LEU A 9 -9.414 -7.944 2.899 1.00 0.91 H new ATOM 0 HD21 LEU A 9 -11.032 -7.765 5.496 1.00 0.80 H new ATOM 0 HD22 LEU A 9 -11.666 -8.395 3.956 1.00 0.80 H new ATOM 0 HD23 LEU A 9 -11.750 -9.392 5.428 1.00 0.80 H new ATOM 157 N ASN A 10 -8.739 -13.268 3.171 1.00 0.67 N ATOM 158 CA ASN A 10 -7.574 -14.051 2.763 1.00 0.70 C ATOM 159 C ASN A 10 -7.262 -13.585 1.350 1.00 0.66 C ATOM 160 O ASN A 10 -7.250 -14.365 0.407 1.00 0.76 O ATOM 161 CB ASN A 10 -7.902 -15.563 2.760 1.00 0.85 C ATOM 162 CG ASN A 10 -8.189 -16.184 4.129 1.00 1.14 C ATOM 163 OD1 ASN A 10 -7.322 -16.811 4.742 1.00 1.84 O ATOM 164 ND2 ASN A 10 -9.424 -16.067 4.606 1.00 1.24 N ATOM 0 H ASN A 10 -9.374 -13.096 2.392 1.00 0.67 H new ATOM 0 HA ASN A 10 -6.735 -13.910 3.444 1.00 0.70 H new ATOM 0 HB2 ASN A 10 -8.768 -15.727 2.119 1.00 0.85 H new ATOM 0 HB3 ASN A 10 -7.066 -16.096 2.308 1.00 0.85 H new ATOM 0 HD21 ASN A 10 -9.670 -16.501 5.496 1.00 1.24 H new ATOM 0 HD22 ASN A 10 -10.126 -15.544 4.082 1.00 1.24 H new ATOM 171 N TYR A 11 -7.032 -12.285 1.188 1.00 0.60 N ATOM 172 CA TYR A 11 -6.895 -11.697 -0.137 1.00 0.67 C ATOM 173 C TYR A 11 -5.436 -11.883 -0.554 1.00 0.67 C ATOM 174 O TYR A 11 -4.561 -11.181 -0.056 1.00 0.58 O ATOM 175 CB TYR A 11 -7.368 -10.243 -0.038 1.00 0.74 C ATOM 176 CG TYR A 11 -7.755 -9.444 -1.274 1.00 0.77 C ATOM 177 CD1 TYR A 11 -7.912 -10.028 -2.547 1.00 1.79 C ATOM 178 CD2 TYR A 11 -8.099 -8.089 -1.092 1.00 2.01 C ATOM 179 CE1 TYR A 11 -8.474 -9.279 -3.602 1.00 1.79 C ATOM 180 CE2 TYR A 11 -8.626 -7.334 -2.155 1.00 2.16 C ATOM 181 CZ TYR A 11 -8.801 -7.927 -3.411 1.00 1.11 C ATOM 182 OH TYR A 11 -9.545 -7.273 -4.353 1.00 1.29 O ATOM 0 H TYR A 11 -6.937 -11.622 1.957 1.00 0.60 H new ATOM 0 HA TYR A 11 -7.504 -12.164 -0.911 1.00 0.67 H new ATOM 0 HB2 TYR A 11 -8.232 -10.236 0.626 1.00 0.74 H new ATOM 0 HB3 TYR A 11 -6.576 -9.686 0.463 1.00 0.74 H new ATOM 0 HD1 TYR A 11 -7.602 -11.049 -2.715 1.00 1.79 H new ATOM 0 HD2 TYR A 11 -7.956 -7.626 -0.127 1.00 2.01 H new ATOM 0 HE1 TYR A 11 -8.653 -9.747 -4.559 1.00 1.79 H new ATOM 0 HE2 TYR A 11 -8.895 -6.299 -2.003 1.00 2.16 H new ATOM 0 HH TYR A 11 -9.338 -6.315 -4.326 1.00 1.29 H new ATOM 192 N GLU A 12 -5.163 -12.889 -1.389 1.00 0.84 N ATOM 193 CA GLU A 12 -3.820 -13.413 -1.590 1.00 0.85 C ATOM 194 C GLU A 12 -2.990 -12.436 -2.423 1.00 0.76 C ATOM 195 O GLU A 12 -3.315 -12.141 -3.571 1.00 1.06 O ATOM 196 CB GLU A 12 -3.911 -14.788 -2.267 1.00 1.20 C ATOM 197 CG GLU A 12 -4.440 -15.858 -1.293 1.00 1.73 C ATOM 198 CD GLU A 12 -5.571 -16.691 -1.876 1.00 2.63 C ATOM 199 OE1 GLU A 12 -5.524 -17.044 -3.075 1.00 3.38 O ATOM 200 OE2 GLU A 12 -6.580 -16.891 -1.166 1.00 3.47 O ATOM 0 H GLU A 12 -5.875 -13.362 -1.945 1.00 0.84 H new ATOM 0 HA GLU A 12 -3.322 -13.530 -0.628 1.00 0.85 H new ATOM 0 HB2 GLU A 12 -4.568 -14.726 -3.134 1.00 1.20 H new ATOM 0 HB3 GLU A 12 -2.927 -15.081 -2.633 1.00 1.20 H new ATOM 0 HG2 GLU A 12 -3.621 -16.518 -1.008 1.00 1.73 H new ATOM 0 HG3 GLU A 12 -4.788 -15.371 -0.382 1.00 1.73 H new ATOM 207 N VAL A 13 -1.912 -11.939 -1.816 1.00 0.55 N ATOM 208 CA VAL A 13 -0.976 -11.017 -2.429 1.00 0.57 C ATOM 209 C VAL A 13 -0.046 -11.835 -3.335 1.00 0.57 C ATOM 210 O VAL A 13 0.299 -12.972 -3.010 1.00 0.87 O ATOM 211 CB VAL A 13 -0.250 -10.240 -1.308 1.00 0.89 C ATOM 212 CG1 VAL A 13 1.079 -10.886 -0.936 1.00 2.70 C ATOM 213 CG2 VAL A 13 0.032 -8.781 -1.671 1.00 1.30 C ATOM 0 H VAL A 13 -1.665 -12.179 -0.856 1.00 0.55 H new ATOM 0 HA VAL A 13 -1.460 -10.268 -3.056 1.00 0.57 H new ATOM 0 HB VAL A 13 -0.939 -10.272 -0.464 1.00 0.89 H new ATOM 0 HG11 VAL A 13 1.556 -10.308 -0.145 1.00 2.70 H new ATOM 0 HG12 VAL A 13 0.904 -11.904 -0.587 1.00 2.70 H new ATOM 0 HG13 VAL A 13 1.729 -10.910 -1.810 1.00 2.70 H new ATOM 0 HG21 VAL A 13 0.543 -8.292 -0.842 1.00 1.30 H new ATOM 0 HG22 VAL A 13 0.662 -8.742 -2.559 1.00 1.30 H new ATOM 0 HG23 VAL A 13 -0.908 -8.268 -1.871 1.00 1.30 H new ATOM 223 N GLU A 14 0.355 -11.279 -4.477 1.00 0.85 N ATOM 224 CA GLU A 14 1.186 -12.002 -5.435 1.00 1.00 C ATOM 225 C GLU A 14 2.669 -11.899 -5.037 1.00 0.79 C ATOM 226 O GLU A 14 3.163 -10.785 -4.844 1.00 0.75 O ATOM 227 CB GLU A 14 0.934 -11.420 -6.820 1.00 1.44 C ATOM 228 CG GLU A 14 1.678 -12.127 -7.958 1.00 1.99 C ATOM 229 CD GLU A 14 0.852 -13.238 -8.582 1.00 2.03 C ATOM 230 OE1 GLU A 14 0.381 -14.147 -7.862 1.00 2.41 O ATOM 231 OE2 GLU A 14 0.581 -13.144 -9.796 1.00 3.06 O ATOM 0 H GLU A 14 0.117 -10.329 -4.761 1.00 0.85 H new ATOM 0 HA GLU A 14 0.929 -13.061 -5.441 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -0.136 -11.457 -7.025 1.00 1.44 H new ATOM 0 HB3 GLU A 14 1.221 -10.368 -6.815 1.00 1.44 H new ATOM 0 HG2 GLU A 14 1.942 -11.399 -8.725 1.00 1.99 H new ATOM 0 HG3 GLU A 14 2.612 -12.541 -7.577 1.00 1.99 H new ATOM 238 N PRO A 15 3.404 -13.019 -4.915 1.00 0.80 N ATOM 239 CA PRO A 15 4.852 -12.995 -4.757 1.00 0.72 C ATOM 240 C PRO A 15 5.534 -12.347 -5.963 1.00 0.71 C ATOM 241 O PRO A 15 5.215 -12.687 -7.100 1.00 0.76 O ATOM 242 CB PRO A 15 5.292 -14.457 -4.600 1.00 0.84 C ATOM 243 CG PRO A 15 4.014 -15.182 -4.175 1.00 1.02 C ATOM 244 CD PRO A 15 2.914 -14.387 -4.879 1.00 1.01 C ATOM 0 HA PRO A 15 5.137 -12.400 -3.890 1.00 0.72 H new ATOM 0 HB2 PRO A 15 5.687 -14.858 -5.533 1.00 0.84 H new ATOM 0 HB3 PRO A 15 6.077 -14.560 -3.851 1.00 0.84 H new ATOM 0 HG2 PRO A 15 4.020 -16.226 -4.488 1.00 1.02 H new ATOM 0 HG3 PRO A 15 3.887 -15.174 -3.092 1.00 1.02 H new ATOM 0 HD2 PRO A 15 2.733 -14.768 -5.884 1.00 1.01 H new ATOM 0 HD3 PRO A 15 1.970 -14.454 -4.338 1.00 1.01 H new ATOM 252 N PHE A 16 6.491 -11.444 -5.732 1.00 0.66 N ATOM 253 CA PHE A 16 7.274 -10.800 -6.770 1.00 0.64 C ATOM 254 C PHE A 16 8.396 -10.042 -6.064 1.00 0.61 C ATOM 255 O PHE A 16 8.297 -9.806 -4.858 1.00 0.75 O ATOM 256 CB PHE A 16 6.403 -9.862 -7.618 1.00 0.74 C ATOM 257 CG PHE A 16 7.127 -9.282 -8.815 1.00 0.90 C ATOM 258 CD1 PHE A 16 7.364 -10.088 -9.944 1.00 1.84 C ATOM 259 CD2 PHE A 16 7.630 -7.969 -8.776 1.00 2.44 C ATOM 260 CE1 PHE A 16 8.084 -9.575 -11.038 1.00 1.91 C ATOM 261 CE2 PHE A 16 8.367 -7.465 -9.860 1.00 2.71 C ATOM 262 CZ PHE A 16 8.585 -8.262 -10.996 1.00 1.56 C ATOM 0 H PHE A 16 6.743 -11.139 -4.792 1.00 0.66 H new ATOM 0 HA PHE A 16 7.686 -11.534 -7.462 1.00 0.64 H new ATOM 0 HB2 PHE A 16 5.525 -10.408 -7.964 1.00 0.74 H new ATOM 0 HB3 PHE A 16 6.044 -9.046 -6.990 1.00 0.74 H new ATOM 0 HD1 PHE A 16 6.993 -11.102 -9.970 1.00 1.84 H new ATOM 0 HD2 PHE A 16 7.449 -7.348 -7.911 1.00 2.44 H new ATOM 0 HE1 PHE A 16 8.252 -10.190 -11.910 1.00 1.91 H new ATOM 0 HE2 PHE A 16 8.767 -6.463 -9.820 1.00 2.71 H new ATOM 0 HZ PHE A 16 9.137 -7.867 -11.836 1.00 1.56 H new ATOM 272 N THR A 17 9.444 -9.683 -6.806 1.00 0.52 N ATOM 273 CA THR A 17 10.621 -9.015 -6.284 1.00 0.46 C ATOM 274 C THR A 17 10.557 -7.535 -6.655 1.00 0.46 C ATOM 275 O THR A 17 10.774 -7.175 -7.810 1.00 0.71 O ATOM 276 CB THR A 17 11.881 -9.684 -6.843 1.00 0.56 C ATOM 277 OG1 THR A 17 11.769 -11.089 -6.730 1.00 0.74 O ATOM 278 CG2 THR A 17 13.106 -9.225 -6.052 1.00 0.51 C ATOM 0 H THR A 17 9.492 -9.856 -7.810 1.00 0.52 H new ATOM 0 HA THR A 17 10.656 -9.096 -5.198 1.00 0.46 H new ATOM 0 HB THR A 17 11.990 -9.404 -7.891 1.00 0.56 H new ATOM 0 HG1 THR A 17 12.576 -11.512 -7.090 1.00 0.74 H new ATOM 0 HG21 THR A 17 13.999 -9.704 -6.454 1.00 0.51 H new ATOM 0 HG22 THR A 17 13.207 -8.143 -6.133 1.00 0.51 H new ATOM 0 HG23 THR A 17 12.987 -9.501 -5.004 1.00 0.51 H new ATOM 286 N PHE A 18 10.285 -6.674 -5.677 1.00 0.38 N ATOM 287 CA PHE A 18 10.116 -5.245 -5.881 1.00 0.43 C ATOM 288 C PHE A 18 11.421 -4.531 -5.539 1.00 0.41 C ATOM 289 O PHE A 18 12.312 -5.113 -4.916 1.00 0.39 O ATOM 290 CB PHE A 18 9.006 -4.730 -4.956 1.00 0.44 C ATOM 291 CG PHE A 18 7.780 -5.620 -4.868 1.00 0.43 C ATOM 292 CD1 PHE A 18 6.775 -5.549 -5.851 1.00 1.92 C ATOM 293 CD2 PHE A 18 7.679 -6.569 -3.831 1.00 2.11 C ATOM 294 CE1 PHE A 18 5.690 -6.444 -5.810 1.00 1.93 C ATOM 295 CE2 PHE A 18 6.612 -7.480 -3.811 1.00 2.11 C ATOM 296 CZ PHE A 18 5.628 -7.429 -4.810 1.00 0.49 C ATOM 0 H PHE A 18 10.175 -6.960 -4.704 1.00 0.38 H new ATOM 0 HA PHE A 18 9.850 -5.052 -6.920 1.00 0.43 H new ATOM 0 HB2 PHE A 18 9.418 -4.604 -3.955 1.00 0.44 H new ATOM 0 HB3 PHE A 18 8.696 -3.743 -5.300 1.00 0.44 H new ATOM 0 HD1 PHE A 18 6.837 -4.809 -6.635 1.00 1.92 H new ATOM 0 HD2 PHE A 18 8.424 -6.595 -3.050 1.00 2.11 H new ATOM 0 HE1 PHE A 18 4.904 -6.374 -6.548 1.00 1.93 H new ATOM 0 HE2 PHE A 18 6.548 -8.220 -3.027 1.00 2.11 H new ATOM 0 HZ PHE A 18 4.822 -8.148 -4.810 1.00 0.49 H new ATOM 306 N GLN A 19 11.510 -3.245 -5.890 1.00 0.44 N ATOM 307 CA GLN A 19 12.556 -2.359 -5.414 1.00 0.45 C ATOM 308 C GLN A 19 11.910 -1.180 -4.694 1.00 0.45 C ATOM 309 O GLN A 19 10.930 -0.611 -5.187 1.00 0.44 O ATOM 310 CB GLN A 19 13.434 -1.878 -6.567 1.00 0.50 C ATOM 311 CG GLN A 19 13.980 -3.048 -7.394 1.00 0.56 C ATOM 312 CD GLN A 19 15.058 -2.575 -8.362 1.00 1.14 C ATOM 313 OE1 GLN A 19 14.754 -2.091 -9.447 1.00 1.46 O ATOM 314 NE2 GLN A 19 16.326 -2.704 -7.987 1.00 1.83 N ATOM 0 H GLN A 19 10.847 -2.793 -6.520 1.00 0.44 H new ATOM 0 HA GLN A 19 13.201 -2.900 -4.722 1.00 0.45 H new ATOM 0 HB2 GLN A 19 12.856 -1.216 -7.212 1.00 0.50 H new ATOM 0 HB3 GLN A 19 14.265 -1.293 -6.172 1.00 0.50 H new ATOM 0 HG2 GLN A 19 14.391 -3.808 -6.729 1.00 0.56 H new ATOM 0 HG3 GLN A 19 13.167 -3.516 -7.949 1.00 0.56 H new ATOM 0 HE21 GLN A 19 16.550 -3.110 -7.079 1.00 1.83 H new ATOM 0 HE22 GLN A 19 17.075 -2.397 -8.607 1.00 1.83 H new ATOM 323 N ASN A 20 12.452 -0.846 -3.524 1.00 0.48 N ATOM 324 CA ASN A 20 12.027 0.291 -2.721 1.00 0.50 C ATOM 325 C ASN A 20 12.728 1.588 -3.142 1.00 0.57 C ATOM 326 O ASN A 20 13.621 1.578 -3.989 1.00 0.64 O ATOM 327 CB ASN A 20 12.135 -0.028 -1.219 1.00 0.52 C ATOM 328 CG ASN A 20 13.554 0.040 -0.672 1.00 0.63 C ATOM 329 OD1 ASN A 20 14.466 0.488 -1.360 1.00 0.98 O ATOM 330 ND2 ASN A 20 13.747 -0.374 0.575 1.00 0.72 N ATOM 0 H ASN A 20 13.216 -1.373 -3.101 1.00 0.48 H new ATOM 0 HA ASN A 20 10.970 0.475 -2.914 1.00 0.50 H new ATOM 0 HB2 ASN A 20 11.509 0.670 -0.664 1.00 0.52 H new ATOM 0 HB3 ASN A 20 11.735 -1.026 -1.040 1.00 0.52 H new ATOM 0 HD21 ASN A 20 14.677 -0.325 0.990 1.00 0.72 H new ATOM 0 HD22 ASN A 20 12.965 -0.741 1.117 1.00 0.72 H new ATOM 337 N GLN A 21 12.341 2.712 -2.533 1.00 0.61 N ATOM 338 CA GLN A 21 12.892 4.031 -2.842 1.00 0.72 C ATOM 339 C GLN A 21 14.383 4.191 -2.510 1.00 0.80 C ATOM 340 O GLN A 21 14.972 5.199 -2.893 1.00 0.98 O ATOM 341 CB GLN A 21 12.030 5.137 -2.210 1.00 0.87 C ATOM 342 CG GLN A 21 11.980 5.142 -0.672 1.00 1.08 C ATOM 343 CD GLN A 21 13.197 5.789 -0.016 1.00 1.55 C ATOM 344 OE1 GLN A 21 13.282 7.011 0.061 1.00 2.38 O ATOM 345 NE2 GLN A 21 14.138 4.994 0.481 1.00 1.79 N ATOM 0 H GLN A 21 11.628 2.730 -1.804 1.00 0.61 H new ATOM 0 HA GLN A 21 12.849 4.133 -3.926 1.00 0.72 H new ATOM 0 HB2 GLN A 21 12.406 6.103 -2.547 1.00 0.87 H new ATOM 0 HB3 GLN A 21 11.012 5.041 -2.589 1.00 0.87 H new ATOM 0 HG2 GLN A 21 11.082 5.669 -0.349 1.00 1.08 H new ATOM 0 HG3 GLN A 21 11.891 4.115 -0.318 1.00 1.08 H new ATOM 0 HE21 GLN A 21 14.043 3.981 0.404 1.00 1.79 H new ATOM 0 HE22 GLN A 21 14.955 5.396 0.940 1.00 1.79 H new ATOM 354 N ASP A 22 14.993 3.222 -1.815 1.00 0.79 N ATOM 355 CA ASP A 22 16.437 3.171 -1.602 1.00 0.82 C ATOM 356 C ASP A 22 17.128 2.514 -2.809 1.00 0.70 C ATOM 357 O ASP A 22 18.344 2.346 -2.832 1.00 0.78 O ATOM 358 CB ASP A 22 16.714 2.448 -0.275 1.00 0.97 C ATOM 359 CG ASP A 22 18.164 2.565 0.170 1.00 2.01 C ATOM 360 OD1 ASP A 22 18.618 3.723 0.302 1.00 2.73 O ATOM 361 OD2 ASP A 22 18.764 1.500 0.429 1.00 3.07 O ATOM 0 H ASP A 22 14.490 2.447 -1.383 1.00 0.79 H new ATOM 0 HA ASP A 22 16.855 4.175 -1.524 1.00 0.82 H new ATOM 0 HB2 ASP A 22 16.067 2.860 0.500 1.00 0.97 H new ATOM 0 HB3 ASP A 22 16.455 1.394 -0.380 1.00 0.97 H new ATOM 366 N GLY A 23 16.350 2.118 -3.826 1.00 0.71 N ATOM 367 CA GLY A 23 16.821 1.297 -4.929 1.00 0.76 C ATOM 368 C GLY A 23 17.114 -0.120 -4.444 1.00 0.77 C ATOM 369 O GLY A 23 17.829 -0.867 -5.108 1.00 1.00 O ATOM 0 H GLY A 23 15.364 2.367 -3.898 1.00 0.71 H new ATOM 0 HA2 GLY A 23 16.070 1.271 -5.719 1.00 0.76 H new ATOM 0 HA3 GLY A 23 17.721 1.735 -5.359 1.00 0.76 H new ATOM 373 N LYS A 24 16.573 -0.491 -3.278 1.00 0.65 N ATOM 374 CA LYS A 24 16.950 -1.687 -2.562 1.00 0.63 C ATOM 375 C LYS A 24 15.867 -2.734 -2.799 1.00 0.57 C ATOM 376 O LYS A 24 14.673 -2.450 -2.676 1.00 0.59 O ATOM 377 CB LYS A 24 17.140 -1.287 -1.095 1.00 0.75 C ATOM 378 CG LYS A 24 17.840 -2.299 -0.198 1.00 0.80 C ATOM 379 CD LYS A 24 16.835 -3.317 0.363 1.00 1.59 C ATOM 380 CE LYS A 24 17.523 -4.575 0.905 1.00 2.21 C ATOM 381 NZ LYS A 24 16.543 -5.658 1.128 1.00 3.39 N ATOM 0 H LYS A 24 15.848 0.051 -2.807 1.00 0.65 H new ATOM 0 HA LYS A 24 17.886 -2.132 -2.900 1.00 0.63 H new ATOM 0 HB2 LYS A 24 17.707 -0.357 -1.066 1.00 0.75 H new ATOM 0 HB3 LYS A 24 16.159 -1.076 -0.670 1.00 0.75 H new ATOM 0 HG2 LYS A 24 18.614 -2.819 -0.763 1.00 0.80 H new ATOM 0 HG3 LYS A 24 18.337 -1.782 0.623 1.00 0.80 H new ATOM 0 HD2 LYS A 24 16.255 -2.851 1.160 1.00 1.59 H new ATOM 0 HD3 LYS A 24 16.131 -3.599 -0.420 1.00 1.59 H new ATOM 0 HE2 LYS A 24 18.286 -4.909 0.202 1.00 2.21 H new ATOM 0 HE3 LYS A 24 18.032 -4.342 1.840 1.00 2.21 H new ATOM 0 HZ1 LYS A 24 17.041 -6.520 1.430 1.00 3.39 H new ATOM 0 HZ2 LYS A 24 15.870 -5.370 1.866 1.00 3.39 H new ATOM 0 HZ3 LYS A 24 16.028 -5.848 0.245 1.00 3.39 H new ATOM 395 N ASN A 25 16.288 -3.949 -3.149 1.00 0.55 N ATOM 396 CA ASN A 25 15.381 -5.015 -3.546 1.00 0.55 C ATOM 397 C ASN A 25 14.742 -5.646 -2.313 1.00 0.52 C ATOM 398 O ASN A 25 15.424 -5.910 -1.317 1.00 0.57 O ATOM 399 CB ASN A 25 16.103 -6.075 -4.390 1.00 0.60 C ATOM 400 CG ASN A 25 16.450 -5.553 -5.782 1.00 2.04 C ATOM 401 OD1 ASN A 25 17.009 -4.471 -5.924 1.00 2.74 O ATOM 402 ND2 ASN A 25 16.110 -6.297 -6.830 1.00 3.07 N ATOM 0 H ASN A 25 17.272 -4.218 -3.164 1.00 0.55 H new ATOM 0 HA ASN A 25 14.595 -4.582 -4.165 1.00 0.55 H new ATOM 0 HB2 ASN A 25 17.015 -6.385 -3.881 1.00 0.60 H new ATOM 0 HB3 ASN A 25 15.472 -6.959 -4.480 1.00 0.60 H new ATOM 0 HD21 ASN A 25 16.314 -5.971 -7.775 1.00 3.07 H new ATOM 0 HD22 ASN A 25 15.646 -7.194 -6.689 1.00 3.07 H new ATOM 409 N VAL A 26 13.434 -5.890 -2.382 1.00 0.46 N ATOM 410 CA VAL A 26 12.648 -6.539 -1.346 1.00 0.43 C ATOM 411 C VAL A 26 11.616 -7.411 -2.058 1.00 0.46 C ATOM 412 O VAL A 26 10.991 -6.957 -3.015 1.00 0.54 O ATOM 413 CB VAL A 26 11.993 -5.497 -0.415 1.00 0.47 C ATOM 414 CG1 VAL A 26 12.984 -4.983 0.636 1.00 0.94 C ATOM 415 CG2 VAL A 26 11.410 -4.290 -1.158 1.00 0.90 C ATOM 0 H VAL A 26 12.876 -5.629 -3.195 1.00 0.46 H new ATOM 0 HA VAL A 26 13.274 -7.156 -0.701 1.00 0.43 H new ATOM 0 HB VAL A 26 11.171 -6.030 0.064 1.00 0.47 H new ATOM 0 HG11 VAL A 26 12.490 -4.251 1.275 1.00 0.94 H new ATOM 0 HG12 VAL A 26 13.335 -5.817 1.244 1.00 0.94 H new ATOM 0 HG13 VAL A 26 13.833 -4.515 0.138 1.00 0.94 H new ATOM 0 HG21 VAL A 26 10.967 -3.600 -0.440 1.00 0.90 H new ATOM 0 HG22 VAL A 26 12.203 -3.782 -1.706 1.00 0.90 H new ATOM 0 HG23 VAL A 26 10.645 -4.628 -1.857 1.00 0.90 H new ATOM 425 N SER A 27 11.471 -8.667 -1.634 1.00 0.49 N ATOM 426 CA SER A 27 10.502 -9.594 -2.205 1.00 0.50 C ATOM 427 C SER A 27 9.440 -9.886 -1.158 1.00 0.45 C ATOM 428 O SER A 27 9.573 -9.468 -0.007 1.00 0.50 O ATOM 429 CB SER A 27 11.190 -10.890 -2.642 1.00 0.59 C ATOM 430 OG SER A 27 10.320 -11.609 -3.487 1.00 1.99 O ATOM 0 H SER A 27 12.028 -9.069 -0.880 1.00 0.49 H new ATOM 0 HA SER A 27 10.042 -9.148 -3.086 1.00 0.50 H new ATOM 0 HB2 SER A 27 12.120 -10.665 -3.163 1.00 0.59 H new ATOM 0 HB3 SER A 27 11.450 -11.491 -1.770 1.00 0.59 H new ATOM 0 HG SER A 27 10.720 -12.476 -3.707 1.00 1.99 H new ATOM 436 N LEU A 28 8.415 -10.657 -1.519 1.00 0.52 N ATOM 437 CA LEU A 28 7.475 -11.140 -0.526 1.00 0.57 C ATOM 438 C LEU A 28 8.214 -11.912 0.558 1.00 0.50 C ATOM 439 O LEU A 28 7.890 -11.772 1.727 1.00 0.52 O ATOM 440 CB LEU A 28 6.388 -12.000 -1.171 1.00 0.74 C ATOM 441 CG LEU A 28 5.003 -11.534 -0.717 1.00 0.73 C ATOM 442 CD1 LEU A 28 4.629 -10.193 -1.366 1.00 1.00 C ATOM 443 CD2 LEU A 28 3.984 -12.612 -1.082 1.00 1.13 C ATOM 0 H LEU A 28 8.222 -10.953 -2.476 1.00 0.52 H new ATOM 0 HA LEU A 28 6.983 -10.283 -0.067 1.00 0.57 H new ATOM 0 HB2 LEU A 28 6.462 -11.938 -2.257 1.00 0.74 H new ATOM 0 HB3 LEU A 28 6.534 -13.046 -0.901 1.00 0.74 H new ATOM 0 HG LEU A 28 5.009 -11.380 0.362 1.00 0.73 H new ATOM 0 HD11 LEU A 28 3.640 -9.887 -1.025 1.00 1.00 H new ATOM 0 HD12 LEU A 28 5.361 -9.436 -1.084 1.00 1.00 H new ATOM 0 HD13 LEU A 28 4.621 -10.303 -2.450 1.00 1.00 H new ATOM 0 HD21 LEU A 28 2.990 -12.296 -0.765 1.00 1.13 H new ATOM 0 HD22 LEU A 28 3.989 -12.767 -2.161 1.00 1.13 H new ATOM 0 HD23 LEU A 28 4.245 -13.544 -0.581 1.00 1.13 H new ATOM 455 N GLU A 29 9.239 -12.675 0.189 1.00 0.54 N ATOM 456 CA GLU A 29 10.114 -13.399 1.095 1.00 0.66 C ATOM 457 C GLU A 29 10.671 -12.499 2.207 1.00 0.58 C ATOM 458 O GLU A 29 10.942 -12.965 3.307 1.00 0.75 O ATOM 459 CB GLU A 29 11.245 -14.046 0.302 1.00 0.86 C ATOM 460 CG GLU A 29 10.797 -15.028 -0.796 1.00 1.07 C ATOM 461 CD GLU A 29 10.378 -14.317 -2.073 1.00 2.20 C ATOM 462 OE1 GLU A 29 9.188 -13.946 -2.148 1.00 3.01 O ATOM 463 OE2 GLU A 29 11.266 -14.015 -2.897 1.00 3.42 O ATOM 0 H GLU A 29 9.490 -12.809 -0.791 1.00 0.54 H new ATOM 0 HA GLU A 29 9.525 -14.173 1.587 1.00 0.66 H new ATOM 0 HB2 GLU A 29 11.841 -13.258 -0.159 1.00 0.86 H new ATOM 0 HB3 GLU A 29 11.898 -14.575 0.996 1.00 0.86 H new ATOM 0 HG2 GLU A 29 11.612 -15.717 -1.018 1.00 1.07 H new ATOM 0 HG3 GLU A 29 9.964 -15.627 -0.427 1.00 1.07 H new ATOM 470 N SER A 30 10.848 -11.208 1.918 1.00 0.48 N ATOM 471 CA SER A 30 11.301 -10.211 2.883 1.00 0.59 C ATOM 472 C SER A 30 10.256 -9.857 3.961 1.00 0.52 C ATOM 473 O SER A 30 10.551 -9.029 4.828 1.00 0.74 O ATOM 474 CB SER A 30 11.800 -8.980 2.138 1.00 0.74 C ATOM 475 OG SER A 30 12.520 -9.335 0.965 1.00 1.28 O ATOM 0 H SER A 30 10.677 -10.822 0.990 1.00 0.48 H new ATOM 0 HA SER A 30 12.123 -10.653 3.445 1.00 0.59 H new ATOM 0 HB2 SER A 30 10.953 -8.349 1.869 1.00 0.74 H new ATOM 0 HB3 SER A 30 12.441 -8.391 2.795 1.00 0.74 H new ATOM 0 HG SER A 30 13.296 -8.745 0.867 1.00 1.28 H new ATOM 481 N LEU A 31 9.023 -10.363 3.815 1.00 0.37 N ATOM 482 CA LEU A 31 7.827 -10.002 4.575 1.00 0.43 C ATOM 483 C LEU A 31 6.914 -11.201 4.925 1.00 0.51 C ATOM 484 O LEU A 31 6.063 -11.107 5.809 1.00 0.80 O ATOM 485 CB LEU A 31 7.015 -9.039 3.700 1.00 0.46 C ATOM 486 CG LEU A 31 7.779 -7.795 3.228 1.00 0.42 C ATOM 487 CD1 LEU A 31 7.017 -7.133 2.082 1.00 0.46 C ATOM 488 CD2 LEU A 31 7.969 -6.837 4.405 1.00 0.49 C ATOM 0 H LEU A 31 8.827 -11.081 3.117 1.00 0.37 H new ATOM 0 HA LEU A 31 8.157 -9.571 5.520 1.00 0.43 H new ATOM 0 HB2 LEU A 31 6.656 -9.581 2.825 1.00 0.46 H new ATOM 0 HB3 LEU A 31 6.136 -8.717 4.258 1.00 0.46 H new ATOM 0 HG LEU A 31 8.765 -8.076 2.859 1.00 0.42 H new ATOM 0 HD11 LEU A 31 7.560 -6.249 1.747 1.00 0.46 H new ATOM 0 HD12 LEU A 31 6.922 -7.836 1.254 1.00 0.46 H new ATOM 0 HD13 LEU A 31 6.025 -6.841 2.426 1.00 0.46 H new ATOM 0 HD21 LEU A 31 8.512 -5.953 4.071 1.00 0.49 H new ATOM 0 HD22 LEU A 31 6.995 -6.540 4.793 1.00 0.49 H new ATOM 0 HD23 LEU A 31 8.536 -7.335 5.192 1.00 0.49 H new ATOM 500 N LYS A 32 6.964 -12.296 4.166 1.00 0.48 N ATOM 501 CA LYS A 32 6.059 -13.417 4.323 1.00 0.54 C ATOM 502 C LYS A 32 6.497 -14.243 5.529 1.00 0.62 C ATOM 503 O LYS A 32 7.649 -14.662 5.605 1.00 0.91 O ATOM 504 CB LYS A 32 6.038 -14.225 3.038 1.00 0.72 C ATOM 505 CG LYS A 32 4.854 -15.195 3.053 1.00 0.85 C ATOM 506 CD LYS A 32 4.601 -15.594 1.607 1.00 1.84 C ATOM 507 CE LYS A 32 3.833 -16.922 1.496 1.00 1.91 C ATOM 508 NZ LYS A 32 2.757 -16.872 0.485 1.00 3.46 N ATOM 0 H LYS A 32 7.645 -12.423 3.418 1.00 0.48 H new ATOM 0 HA LYS A 32 5.040 -13.077 4.510 1.00 0.54 H new ATOM 0 HB2 LYS A 32 5.962 -13.558 2.180 1.00 0.72 H new ATOM 0 HB3 LYS A 32 6.971 -14.778 2.930 1.00 0.72 H new ATOM 0 HG2 LYS A 32 5.078 -16.070 3.663 1.00 0.85 H new ATOM 0 HG3 LYS A 32 3.972 -14.723 3.485 1.00 0.85 H new ATOM 0 HD2 LYS A 32 4.036 -14.807 1.108 1.00 1.84 H new ATOM 0 HD3 LYS A 32 5.553 -15.682 1.084 1.00 1.84 H new ATOM 0 HE2 LYS A 32 4.530 -17.720 1.241 1.00 1.91 H new ATOM 0 HE3 LYS A 32 3.404 -17.172 2.466 1.00 1.91 H new ATOM 0 HZ1 LYS A 32 2.741 -17.764 -0.050 1.00 3.46 H new ATOM 0 HZ2 LYS A 32 1.841 -16.736 0.959 1.00 3.46 H new ATOM 0 HZ3 LYS A 32 2.930 -16.080 -0.167 1.00 3.46 H new ATOM 522 N GLY A 33 5.571 -14.468 6.458 1.00 0.50 N ATOM 523 CA GLY A 33 5.881 -14.846 7.827 1.00 0.50 C ATOM 524 C GLY A 33 5.448 -13.730 8.774 1.00 0.45 C ATOM 525 O GLY A 33 4.981 -14.012 9.878 1.00 0.44 O ATOM 0 H GLY A 33 4.571 -14.391 6.274 1.00 0.50 H new ATOM 0 HA2 GLY A 33 5.370 -15.774 8.084 1.00 0.50 H new ATOM 0 HA3 GLY A 33 6.950 -15.031 7.931 1.00 0.50 H new ATOM 529 N GLU A 34 5.551 -12.471 8.334 1.00 0.47 N ATOM 530 CA GLU A 34 5.311 -11.306 9.172 1.00 0.44 C ATOM 531 C GLU A 34 3.919 -10.718 8.913 1.00 0.36 C ATOM 532 O GLU A 34 3.274 -11.021 7.911 1.00 0.48 O ATOM 533 CB GLU A 34 6.424 -10.274 8.931 1.00 0.59 C ATOM 534 CG GLU A 34 7.796 -10.775 9.413 1.00 1.17 C ATOM 535 CD GLU A 34 8.359 -11.900 8.552 1.00 3.36 C ATOM 536 OE1 GLU A 34 8.572 -11.638 7.349 1.00 4.94 O ATOM 537 OE2 GLU A 34 8.518 -13.010 9.104 1.00 4.16 O ATOM 0 H GLU A 34 5.806 -12.237 7.375 1.00 0.47 H new ATOM 0 HA GLU A 34 5.333 -11.602 10.221 1.00 0.44 H new ATOM 0 HB2 GLU A 34 6.477 -10.042 7.867 1.00 0.59 H new ATOM 0 HB3 GLU A 34 6.176 -9.347 9.448 1.00 0.59 H new ATOM 0 HG2 GLU A 34 8.499 -9.942 9.417 1.00 1.17 H new ATOM 0 HG3 GLU A 34 7.708 -11.123 10.442 1.00 1.17 H new ATOM 544 N VAL A 35 3.453 -9.867 9.830 1.00 0.27 N ATOM 545 CA VAL A 35 2.216 -9.108 9.687 1.00 0.25 C ATOM 546 C VAL A 35 2.584 -7.692 9.275 1.00 0.26 C ATOM 547 O VAL A 35 2.842 -6.836 10.118 1.00 0.50 O ATOM 548 CB VAL A 35 1.382 -9.181 10.975 1.00 0.31 C ATOM 549 CG1 VAL A 35 2.090 -8.781 12.279 1.00 0.38 C ATOM 550 CG2 VAL A 35 0.077 -8.395 10.814 1.00 0.40 C ATOM 0 H VAL A 35 3.937 -9.685 10.709 1.00 0.27 H new ATOM 0 HA VAL A 35 1.578 -9.532 8.911 1.00 0.25 H new ATOM 0 HB VAL A 35 1.185 -10.246 11.098 1.00 0.31 H new ATOM 0 HG11 VAL A 35 1.395 -8.875 13.114 1.00 0.38 H new ATOM 0 HG12 VAL A 35 2.946 -9.435 12.444 1.00 0.38 H new ATOM 0 HG13 VAL A 35 2.431 -7.748 12.206 1.00 0.38 H new ATOM 0 HG21 VAL A 35 -0.501 -8.457 11.736 1.00 0.40 H new ATOM 0 HG22 VAL A 35 0.305 -7.351 10.599 1.00 0.40 H new ATOM 0 HG23 VAL A 35 -0.503 -8.816 9.993 1.00 0.40 H new ATOM 560 N TRP A 36 2.662 -7.459 7.970 1.00 0.38 N ATOM 561 CA TRP A 36 3.234 -6.247 7.427 1.00 0.31 C ATOM 562 C TRP A 36 2.128 -5.371 6.850 1.00 0.32 C ATOM 563 O TRP A 36 1.189 -5.859 6.220 1.00 0.39 O ATOM 564 CB TRP A 36 4.315 -6.619 6.415 1.00 0.30 C ATOM 565 CG TRP A 36 3.901 -7.480 5.270 1.00 0.29 C ATOM 566 CD1 TRP A 36 3.778 -8.826 5.247 1.00 0.32 C ATOM 567 CD2 TRP A 36 3.617 -7.032 3.926 1.00 0.28 C ATOM 568 NE1 TRP A 36 3.502 -9.237 3.958 1.00 0.32 N ATOM 569 CE2 TRP A 36 3.424 -8.166 3.089 1.00 0.31 C ATOM 570 CE3 TRP A 36 3.522 -5.761 3.341 1.00 0.30 C ATOM 571 CZ2 TRP A 36 3.200 -8.033 1.709 1.00 0.37 C ATOM 572 CZ3 TRP A 36 3.196 -5.617 1.984 1.00 0.34 C ATOM 573 CH2 TRP A 36 3.097 -6.743 1.161 1.00 0.36 C ATOM 0 H TRP A 36 2.327 -8.112 7.262 1.00 0.38 H new ATOM 0 HA TRP A 36 3.716 -5.655 8.205 1.00 0.31 H new ATOM 0 HB2 TRP A 36 4.734 -5.697 6.012 1.00 0.30 H new ATOM 0 HB3 TRP A 36 5.118 -7.127 6.948 1.00 0.30 H new ATOM 0 HD1 TRP A 36 3.880 -9.477 6.102 1.00 0.32 H new ATOM 0 HE1 TRP A 36 3.372 -10.210 3.682 1.00 0.32 H new ATOM 0 HE3 TRP A 36 3.702 -4.882 3.942 1.00 0.30 H new ATOM 0 HZ2 TRP A 36 3.109 -8.906 1.080 1.00 0.37 H new ATOM 0 HZ3 TRP A 36 3.021 -4.633 1.574 1.00 0.34 H new ATOM 0 HH2 TRP A 36 2.941 -6.621 0.099 1.00 0.36 H new ATOM 584 N LEU A 37 2.200 -4.068 7.116 1.00 0.40 N ATOM 585 CA LEU A 37 1.175 -3.151 6.665 1.00 0.43 C ATOM 586 C LEU A 37 1.451 -2.779 5.208 1.00 0.42 C ATOM 587 O LEU A 37 2.598 -2.822 4.766 1.00 0.34 O ATOM 588 CB LEU A 37 1.123 -1.922 7.574 1.00 0.47 C ATOM 589 CG LEU A 37 1.025 -2.205 9.085 1.00 0.50 C ATOM 590 CD1 LEU A 37 0.649 -0.897 9.789 1.00 0.71 C ATOM 591 CD2 LEU A 37 -0.034 -3.262 9.416 1.00 0.65 C ATOM 0 H LEU A 37 2.958 -3.632 7.641 1.00 0.40 H new ATOM 0 HA LEU A 37 0.195 -3.625 6.719 1.00 0.43 H new ATOM 0 HB2 LEU A 37 2.016 -1.323 7.394 1.00 0.47 H new ATOM 0 HB3 LEU A 37 0.267 -1.314 7.282 1.00 0.47 H new ATOM 0 HG LEU A 37 1.988 -2.589 9.422 1.00 0.50 H new ATOM 0 HD11 LEU A 37 0.573 -1.070 10.862 1.00 0.71 H new ATOM 0 HD12 LEU A 37 1.416 -0.147 9.596 1.00 0.71 H new ATOM 0 HD13 LEU A 37 -0.309 -0.542 9.410 1.00 0.71 H new ATOM 0 HD21 LEU A 37 -0.062 -3.424 10.494 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -1.010 -2.918 9.075 1.00 0.65 H new ATOM 0 HD23 LEU A 37 0.216 -4.197 8.915 1.00 0.65 H new ATOM 603 N ALA A 38 0.408 -2.429 4.460 1.00 0.58 N ATOM 604 CA ALA A 38 0.503 -2.063 3.061 1.00 0.55 C ATOM 605 C ALA A 38 -0.423 -0.891 2.775 1.00 0.63 C ATOM 606 O ALA A 38 -1.457 -0.723 3.427 1.00 1.14 O ATOM 607 CB ALA A 38 0.171 -3.266 2.179 1.00 0.62 C ATOM 0 H ALA A 38 -0.545 -2.393 4.823 1.00 0.58 H new ATOM 0 HA ALA A 38 1.523 -1.755 2.832 1.00 0.55 H new ATOM 0 HB1 ALA A 38 0.245 -2.980 1.130 1.00 0.62 H new ATOM 0 HB2 ALA A 38 0.873 -4.073 2.385 1.00 0.62 H new ATOM 0 HB3 ALA A 38 -0.843 -3.604 2.392 1.00 0.62 H new ATOM 613 N ASP A 39 -0.040 -0.117 1.763 1.00 0.53 N ATOM 614 CA ASP A 39 -0.855 0.876 1.104 1.00 0.78 C ATOM 615 C ASP A 39 -0.305 1.052 -0.308 1.00 0.92 C ATOM 616 O ASP A 39 0.683 0.416 -0.698 1.00 1.67 O ATOM 617 CB ASP A 39 -0.880 2.198 1.882 1.00 1.13 C ATOM 618 CG ASP A 39 0.473 2.892 1.898 1.00 2.27 C ATOM 619 OD1 ASP A 39 0.910 3.345 0.820 1.00 3.84 O ATOM 620 OD2 ASP A 39 1.068 2.958 2.993 1.00 2.79 O ATOM 0 H ASP A 39 0.898 -0.176 1.367 1.00 0.53 H new ATOM 0 HA ASP A 39 -1.893 0.546 1.061 1.00 0.78 H new ATOM 0 HB2 ASP A 39 -1.620 2.863 1.437 1.00 1.13 H new ATOM 0 HB3 ASP A 39 -1.198 2.006 2.907 1.00 1.13 H new ATOM 625 N PHE A 40 -0.987 1.887 -1.081 1.00 0.73 N ATOM 626 CA PHE A 40 -0.623 2.233 -2.433 1.00 0.78 C ATOM 627 C PHE A 40 -0.970 3.710 -2.605 1.00 0.73 C ATOM 628 O PHE A 40 -2.068 4.113 -2.225 1.00 0.89 O ATOM 629 CB PHE A 40 -1.361 1.296 -3.397 1.00 1.01 C ATOM 630 CG PHE A 40 -2.850 1.121 -3.136 1.00 1.00 C ATOM 631 CD1 PHE A 40 -3.789 2.016 -3.680 1.00 2.35 C ATOM 632 CD2 PHE A 40 -3.297 0.067 -2.320 1.00 1.77 C ATOM 633 CE1 PHE A 40 -5.161 1.842 -3.429 1.00 2.56 C ATOM 634 CE2 PHE A 40 -4.671 -0.160 -2.142 1.00 1.90 C ATOM 635 CZ PHE A 40 -5.607 0.738 -2.683 1.00 1.58 C ATOM 0 H PHE A 40 -1.837 2.354 -0.765 1.00 0.73 H new ATOM 0 HA PHE A 40 0.438 2.105 -2.650 1.00 0.78 H new ATOM 0 HB2 PHE A 40 -1.230 1.672 -4.412 1.00 1.01 H new ATOM 0 HB3 PHE A 40 -0.886 0.316 -3.357 1.00 1.01 H new ATOM 0 HD1 PHE A 40 -3.454 2.840 -4.293 1.00 2.35 H new ATOM 0 HD2 PHE A 40 -2.579 -0.572 -1.827 1.00 1.77 H new ATOM 0 HE1 PHE A 40 -5.874 2.558 -3.810 1.00 2.56 H new ATOM 0 HE2 PHE A 40 -5.009 -1.024 -1.590 1.00 1.90 H new ATOM 0 HZ PHE A 40 -6.664 0.580 -2.526 1.00 1.58 H new ATOM 645 N ILE A 41 -0.042 4.529 -3.112 1.00 0.69 N ATOM 646 CA ILE A 41 -0.252 5.973 -3.230 1.00 0.74 C ATOM 647 C ILE A 41 0.266 6.523 -4.555 1.00 0.63 C ATOM 648 O ILE A 41 1.175 5.965 -5.167 1.00 0.69 O ATOM 649 CB ILE A 41 0.319 6.765 -2.031 1.00 1.06 C ATOM 650 CG1 ILE A 41 1.857 6.844 -1.949 1.00 1.40 C ATOM 651 CG2 ILE A 41 -0.290 6.313 -0.698 1.00 1.44 C ATOM 652 CD1 ILE A 41 2.579 5.497 -1.878 1.00 2.09 C ATOM 0 H ILE A 41 0.867 4.212 -3.449 1.00 0.69 H new ATOM 0 HA ILE A 41 -1.332 6.117 -3.214 1.00 0.74 H new ATOM 0 HB ILE A 41 0.006 7.790 -2.230 1.00 1.06 H new ATOM 0 HG12 ILE A 41 2.223 7.388 -2.820 1.00 1.40 H new ATOM 0 HG13 ILE A 41 2.128 7.429 -1.070 1.00 1.40 H new ATOM 0 HG21 ILE A 41 0.141 6.897 0.115 1.00 1.44 H new ATOM 0 HG22 ILE A 41 -1.369 6.464 -0.721 1.00 1.44 H new ATOM 0 HG23 ILE A 41 -0.075 5.256 -0.540 1.00 1.44 H new ATOM 0 HD11 ILE A 41 3.655 5.663 -1.823 1.00 2.09 H new ATOM 0 HD12 ILE A 41 2.250 4.954 -0.992 1.00 2.09 H new ATOM 0 HD13 ILE A 41 2.347 4.912 -2.768 1.00 2.09 H new ATOM 664 N PHE A 42 -0.341 7.633 -4.971 1.00 0.63 N ATOM 665 CA PHE A 42 -0.009 8.472 -6.109 1.00 0.64 C ATOM 666 C PHE A 42 0.036 9.888 -5.527 1.00 0.77 C ATOM 667 O PHE A 42 -0.760 10.214 -4.646 1.00 1.16 O ATOM 668 CB PHE A 42 -1.087 8.351 -7.209 1.00 0.65 C ATOM 669 CG PHE A 42 -2.510 8.269 -6.654 1.00 0.72 C ATOM 670 CD1 PHE A 42 -2.988 7.053 -6.134 1.00 1.94 C ATOM 671 CD2 PHE A 42 -3.271 9.437 -6.452 1.00 1.62 C ATOM 672 CE1 PHE A 42 -4.201 6.990 -5.434 1.00 2.11 C ATOM 673 CE2 PHE A 42 -4.502 9.372 -5.767 1.00 1.69 C ATOM 674 CZ PHE A 42 -4.987 8.140 -5.286 1.00 1.21 C ATOM 0 H PHE A 42 -1.152 7.997 -4.470 1.00 0.63 H new ATOM 0 HA PHE A 42 0.932 8.190 -6.582 1.00 0.64 H new ATOM 0 HB2 PHE A 42 -1.013 9.210 -7.876 1.00 0.65 H new ATOM 0 HB3 PHE A 42 -0.886 7.463 -7.809 1.00 0.65 H new ATOM 0 HD1 PHE A 42 -2.410 6.152 -6.276 1.00 1.94 H new ATOM 0 HD2 PHE A 42 -2.911 10.385 -6.823 1.00 1.62 H new ATOM 0 HE1 PHE A 42 -4.530 6.054 -5.008 1.00 2.11 H new ATOM 0 HE2 PHE A 42 -5.077 10.273 -5.610 1.00 1.69 H new ATOM 0 HZ PHE A 42 -5.954 8.083 -4.808 1.00 1.21 H new ATOM 684 N THR A 43 0.995 10.699 -5.961 1.00 0.85 N ATOM 685 CA THR A 43 1.296 12.022 -5.451 1.00 0.97 C ATOM 686 C THR A 43 1.188 13.078 -6.556 1.00 1.07 C ATOM 687 O THR A 43 1.257 14.272 -6.263 1.00 2.10 O ATOM 688 CB THR A 43 2.688 11.998 -4.799 1.00 1.13 C ATOM 689 OG1 THR A 43 3.725 11.829 -5.743 1.00 1.75 O ATOM 690 CG2 THR A 43 2.779 10.863 -3.772 1.00 1.92 C ATOM 0 H THR A 43 1.617 10.430 -6.723 1.00 0.85 H new ATOM 0 HA THR A 43 0.564 12.301 -4.693 1.00 0.97 H new ATOM 0 HB THR A 43 2.816 12.966 -4.314 1.00 1.13 H new ATOM 0 HG1 THR A 43 3.614 10.969 -6.200 1.00 1.75 H new ATOM 0 HG21 THR A 43 3.771 10.860 -3.320 1.00 1.92 H new ATOM 0 HG22 THR A 43 2.027 11.012 -2.997 1.00 1.92 H new ATOM 0 HG23 THR A 43 2.604 9.908 -4.268 1.00 1.92 H new ATOM 771 N CYS A 49 -3.744 18.451 0.605 1.00 1.52 N ATOM 772 CA CYS A 49 -4.483 19.256 1.569 1.00 1.72 C ATOM 773 C CYS A 49 -5.164 18.330 2.585 1.00 1.65 C ATOM 774 O CYS A 49 -4.875 18.443 3.775 1.00 1.69 O ATOM 775 CB CYS A 49 -5.470 20.211 0.881 1.00 2.04 C ATOM 776 SG CYS A 49 -6.650 20.817 2.111 1.00 2.36 S ATOM 0 HA CYS A 49 -3.786 19.899 2.107 1.00 1.72 H new ATOM 0 HB2 CYS A 49 -4.934 21.046 0.429 1.00 2.04 H new ATOM 0 HB3 CYS A 49 -5.995 19.696 0.076 1.00 2.04 H new ATOM 0 HG CYS A 49 -7.491 21.629 1.542 1.00 2.36 H new ATOM 782 N PRO A 50 -6.025 17.383 2.164 1.00 1.68 N ATOM 783 CA PRO A 50 -6.592 16.417 3.093 1.00 1.73 C ATOM 784 C PRO A 50 -5.521 15.379 3.469 1.00 1.23 C ATOM 785 O PRO A 50 -4.474 15.321 2.821 1.00 1.12 O ATOM 786 CB PRO A 50 -7.771 15.811 2.328 1.00 2.14 C ATOM 787 CG PRO A 50 -7.264 15.796 0.890 1.00 1.99 C ATOM 788 CD PRO A 50 -6.495 17.114 0.807 1.00 1.78 C ATOM 0 HA PRO A 50 -6.925 16.847 4.037 1.00 1.73 H new ATOM 0 HB2 PRO A 50 -8.012 14.809 2.683 1.00 2.14 H new ATOM 0 HB3 PRO A 50 -8.674 16.412 2.433 1.00 2.14 H new ATOM 0 HG2 PRO A 50 -6.623 14.937 0.693 1.00 1.99 H new ATOM 0 HG3 PRO A 50 -8.081 15.755 0.170 1.00 1.99 H new ATOM 0 HD2 PRO A 50 -5.659 17.037 0.111 1.00 1.78 H new ATOM 0 HD3 PRO A 50 -7.136 17.919 0.448 1.00 1.78 H new ATOM 796 N PRO A 51 -5.749 14.564 4.512 1.00 1.02 N ATOM 797 CA PRO A 51 -4.783 13.579 4.977 1.00 0.76 C ATOM 798 C PRO A 51 -4.647 12.407 3.993 1.00 0.95 C ATOM 799 O PRO A 51 -5.615 11.702 3.708 1.00 1.87 O ATOM 800 CB PRO A 51 -5.304 13.121 6.344 1.00 0.85 C ATOM 801 CG PRO A 51 -6.813 13.337 6.246 1.00 1.01 C ATOM 802 CD PRO A 51 -6.905 14.603 5.396 1.00 1.23 C ATOM 0 HA PRO A 51 -3.781 14.001 5.052 1.00 0.76 H new ATOM 0 HB2 PRO A 51 -5.061 12.076 6.536 1.00 0.85 H new ATOM 0 HB3 PRO A 51 -4.868 13.704 7.155 1.00 0.85 H new ATOM 0 HG2 PRO A 51 -7.315 12.493 5.774 1.00 1.01 H new ATOM 0 HG3 PRO A 51 -7.269 13.471 7.227 1.00 1.01 H new ATOM 0 HD2 PRO A 51 -7.834 14.626 4.826 1.00 1.23 H new ATOM 0 HD3 PRO A 51 -6.892 15.496 6.020 1.00 1.23 H new ATOM 810 N MET A 52 -3.425 12.170 3.508 1.00 0.66 N ATOM 811 CA MET A 52 -3.025 10.934 2.851 1.00 0.69 C ATOM 812 C MET A 52 -2.229 10.107 3.862 1.00 0.75 C ATOM 813 O MET A 52 -2.786 9.251 4.552 1.00 1.06 O ATOM 814 CB MET A 52 -2.191 11.219 1.588 1.00 0.85 C ATOM 815 CG MET A 52 -2.991 11.746 0.392 1.00 1.25 C ATOM 816 SD MET A 52 -3.677 13.412 0.550 1.00 3.31 S ATOM 817 CE MET A 52 -4.263 13.683 -1.136 1.00 3.30 C ATOM 0 H MET A 52 -2.671 12.854 3.566 1.00 0.66 H new ATOM 0 HA MET A 52 -3.906 10.382 2.524 1.00 0.69 H new ATOM 0 HB2 MET A 52 -1.417 11.945 1.837 1.00 0.85 H new ATOM 0 HB3 MET A 52 -1.683 10.301 1.291 1.00 0.85 H new ATOM 0 HG2 MET A 52 -2.345 11.725 -0.486 1.00 1.25 H new ATOM 0 HG3 MET A 52 -3.812 11.056 0.200 1.00 1.25 H new ATOM 0 HE1 MET A 52 -4.716 14.672 -1.209 1.00 3.30 H new ATOM 0 HE2 MET A 52 -3.424 13.617 -1.828 1.00 3.30 H new ATOM 0 HE3 MET A 52 -5.004 12.925 -1.390 1.00 3.30 H new ATOM 827 N THR A 53 -0.927 10.387 3.983 1.00 0.67 N ATOM 828 CA THR A 53 0.024 9.551 4.693 1.00 0.69 C ATOM 829 C THR A 53 0.028 9.855 6.192 1.00 0.78 C ATOM 830 O THR A 53 0.857 9.320 6.925 1.00 1.29 O ATOM 831 CB THR A 53 1.408 9.746 4.040 1.00 0.84 C ATOM 832 OG1 THR A 53 1.322 10.733 3.030 1.00 1.55 O ATOM 833 CG2 THR A 53 1.888 8.461 3.368 1.00 1.35 C ATOM 0 H THR A 53 -0.504 11.222 3.578 1.00 0.67 H new ATOM 0 HA THR A 53 -0.261 8.502 4.614 1.00 0.69 H new ATOM 0 HB THR A 53 2.102 10.037 4.828 1.00 0.84 H new ATOM 0 HG1 THR A 53 1.243 11.618 3.443 1.00 1.55 H new ATOM 0 HG21 THR A 53 2.866 8.630 2.917 1.00 1.35 H new ATOM 0 HG22 THR A 53 1.964 7.668 4.112 1.00 1.35 H new ATOM 0 HG23 THR A 53 1.178 8.167 2.595 1.00 1.35 H new ATOM 841 N ALA A 54 -0.907 10.693 6.658 1.00 0.64 N ATOM 842 CA ALA A 54 -1.095 11.001 8.063 1.00 0.68 C ATOM 843 C ALA A 54 -1.254 9.688 8.825 1.00 0.63 C ATOM 844 O ALA A 54 -0.431 9.362 9.671 1.00 0.66 O ATOM 845 CB ALA A 54 -2.324 11.905 8.227 1.00 0.84 C ATOM 0 H ALA A 54 -1.563 11.181 6.048 1.00 0.64 H new ATOM 0 HA ALA A 54 -0.235 11.537 8.465 1.00 0.68 H new ATOM 0 HB1 ALA A 54 -2.467 12.137 9.282 1.00 0.84 H new ATOM 0 HB2 ALA A 54 -2.173 12.829 7.669 1.00 0.84 H new ATOM 0 HB3 ALA A 54 -3.207 11.392 7.846 1.00 0.84 H new ATOM 851 N HIS A 55 -2.252 8.896 8.427 1.00 0.62 N ATOM 852 CA HIS A 55 -2.607 7.626 9.047 1.00 0.62 C ATOM 853 C HIS A 55 -1.377 6.729 9.119 1.00 0.57 C ATOM 854 O HIS A 55 -1.060 6.150 10.149 1.00 0.61 O ATOM 855 CB HIS A 55 -3.704 6.945 8.214 1.00 0.74 C ATOM 856 CG HIS A 55 -4.743 7.909 7.716 1.00 0.98 C ATOM 857 ND1 HIS A 55 -4.834 8.391 6.427 1.00 1.37 N ATOM 858 CD2 HIS A 55 -5.518 8.702 8.516 1.00 1.10 C ATOM 859 CE1 HIS A 55 -5.700 9.415 6.450 1.00 1.58 C ATOM 860 NE2 HIS A 55 -6.129 9.654 7.699 1.00 1.40 N ATOM 0 H HIS A 55 -2.853 9.133 7.637 1.00 0.62 H new ATOM 0 HA HIS A 55 -2.977 7.802 10.057 1.00 0.62 H new ATOM 0 HB2 HIS A 55 -3.246 6.440 7.363 1.00 0.74 H new ATOM 0 HB3 HIS A 55 -4.188 6.177 8.818 1.00 0.74 H new ATOM 0 HD1 HIS A 55 -4.337 8.036 5.610 1.00 1.37 H new ATOM 0 HD2 HIS A 55 -5.636 8.609 9.585 1.00 1.10 H new ATOM 0 HE1 HIS A 55 -6.011 9.973 5.579 1.00 1.58 H new ATOM 868 N MET A 56 -0.684 6.605 7.991 1.00 0.56 N ATOM 869 CA MET A 56 0.530 5.828 7.882 1.00 0.56 C ATOM 870 C MET A 56 1.627 6.355 8.823 1.00 0.55 C ATOM 871 O MET A 56 2.346 5.561 9.426 1.00 0.59 O ATOM 872 CB MET A 56 0.973 5.761 6.416 1.00 0.59 C ATOM 873 CG MET A 56 0.001 5.061 5.449 1.00 0.62 C ATOM 874 SD MET A 56 -1.501 5.953 4.954 1.00 1.48 S ATOM 875 CE MET A 56 -2.281 4.730 3.885 1.00 2.34 C ATOM 0 H MET A 56 -0.961 7.052 7.117 1.00 0.56 H new ATOM 0 HA MET A 56 0.332 4.808 8.210 1.00 0.56 H new ATOM 0 HB2 MET A 56 1.139 6.778 6.060 1.00 0.59 H new ATOM 0 HB3 MET A 56 1.933 5.247 6.370 1.00 0.59 H new ATOM 0 HG2 MET A 56 0.554 4.810 4.544 1.00 0.62 H new ATOM 0 HG3 MET A 56 -0.305 4.120 5.906 1.00 0.62 H new ATOM 0 HE1 MET A 56 -3.326 4.997 3.729 1.00 2.34 H new ATOM 0 HE2 MET A 56 -1.766 4.705 2.925 1.00 2.34 H new ATOM 0 HE3 MET A 56 -2.223 3.748 4.353 1.00 2.34 H new ATOM 885 N THR A 57 1.749 7.674 8.994 1.00 0.53 N ATOM 886 CA THR A 57 2.722 8.269 9.906 1.00 0.56 C ATOM 887 C THR A 57 2.330 7.970 11.352 1.00 0.57 C ATOM 888 O THR A 57 3.172 7.583 12.163 1.00 0.63 O ATOM 889 CB THR A 57 2.852 9.776 9.631 1.00 0.61 C ATOM 890 OG1 THR A 57 3.166 9.977 8.268 1.00 1.74 O ATOM 891 CG2 THR A 57 3.964 10.411 10.469 1.00 1.95 C ATOM 0 H THR A 57 1.174 8.358 8.502 1.00 0.53 H new ATOM 0 HA THR A 57 3.704 7.827 9.738 1.00 0.56 H new ATOM 0 HB THR A 57 1.902 10.241 9.893 1.00 0.61 H new ATOM 0 HG1 THR A 57 2.380 9.775 7.718 1.00 1.74 H new ATOM 0 HG21 THR A 57 4.024 11.476 10.246 1.00 1.95 H new ATOM 0 HG22 THR A 57 3.745 10.274 11.528 1.00 1.95 H new ATOM 0 HG23 THR A 57 4.916 9.936 10.231 1.00 1.95 H new ATOM 899 N ASP A 58 1.044 8.116 11.668 1.00 0.56 N ATOM 900 CA ASP A 58 0.501 7.770 12.966 1.00 0.62 C ATOM 901 C ASP A 58 0.849 6.313 13.271 1.00 0.61 C ATOM 902 O ASP A 58 1.480 6.001 14.282 1.00 0.70 O ATOM 903 CB ASP A 58 -1.013 8.024 12.988 1.00 0.73 C ATOM 904 CG ASP A 58 -1.364 9.507 12.972 1.00 1.89 C ATOM 905 OD1 ASP A 58 -0.798 10.232 13.818 1.00 2.48 O ATOM 906 OD2 ASP A 58 -2.201 9.882 12.123 1.00 3.35 O ATOM 0 H ASP A 58 0.348 8.482 11.018 1.00 0.56 H new ATOM 0 HA ASP A 58 0.939 8.396 13.744 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -1.471 7.538 12.127 1.00 0.73 H new ATOM 0 HB3 ASP A 58 -1.441 7.564 13.879 1.00 0.73 H new ATOM 911 N LEU A 59 0.481 5.416 12.355 1.00 0.59 N ATOM 912 CA LEU A 59 0.738 3.996 12.510 1.00 0.61 C ATOM 913 C LEU A 59 2.233 3.674 12.515 1.00 0.63 C ATOM 914 O LEU A 59 2.604 2.744 13.216 1.00 0.71 O ATOM 915 CB LEU A 59 -0.041 3.140 11.498 1.00 0.59 C ATOM 916 CG LEU A 59 -1.434 2.734 12.010 1.00 0.70 C ATOM 917 CD1 LEU A 59 -2.433 3.846 11.720 1.00 1.05 C ATOM 918 CD2 LEU A 59 -1.912 1.438 11.345 1.00 0.87 C ATOM 0 H LEU A 59 -0.002 5.659 11.490 1.00 0.59 H new ATOM 0 HA LEU A 59 0.358 3.723 13.495 1.00 0.61 H new ATOM 0 HB2 LEU A 59 -0.149 3.695 10.566 1.00 0.59 H new ATOM 0 HB3 LEU A 59 0.533 2.242 11.270 1.00 0.59 H new ATOM 0 HG LEU A 59 -1.364 2.567 13.085 1.00 0.70 H new ATOM 0 HD11 LEU A 59 -3.418 3.554 12.084 1.00 1.05 H new ATOM 0 HD12 LEU A 59 -2.116 4.760 12.223 1.00 1.05 H new ATOM 0 HD13 LEU A 59 -2.481 4.021 10.645 1.00 1.05 H new ATOM 0 HD21 LEU A 59 -2.899 1.176 11.726 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -1.966 1.581 10.266 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -1.211 0.634 11.569 1.00 0.87 H new ATOM 930 N GLN A 60 3.106 4.402 11.806 1.00 0.61 N ATOM 931 CA GLN A 60 4.557 4.184 11.863 1.00 0.65 C ATOM 932 C GLN A 60 5.043 4.166 13.314 1.00 0.69 C ATOM 933 O GLN A 60 5.912 3.378 13.684 1.00 0.72 O ATOM 934 CB GLN A 60 5.300 5.250 11.047 1.00 0.71 C ATOM 935 CG GLN A 60 6.836 5.132 11.071 1.00 1.02 C ATOM 936 CD GLN A 60 7.397 3.774 10.645 1.00 1.37 C ATOM 937 OE1 GLN A 60 8.117 3.129 11.401 1.00 2.75 O ATOM 938 NE2 GLN A 60 7.109 3.339 9.425 1.00 1.98 N ATOM 0 H GLN A 60 2.827 5.156 11.179 1.00 0.61 H new ATOM 0 HA GLN A 60 4.775 3.212 11.421 1.00 0.65 H new ATOM 0 HB2 GLN A 60 4.962 5.195 10.012 1.00 0.71 H new ATOM 0 HB3 GLN A 60 5.020 6.234 11.422 1.00 0.71 H new ATOM 0 HG2 GLN A 60 7.253 5.899 10.418 1.00 1.02 H new ATOM 0 HG3 GLN A 60 7.184 5.349 12.081 1.00 1.02 H new ATOM 0 HE21 GLN A 60 6.508 3.893 8.815 1.00 1.98 H new ATOM 0 HE22 GLN A 60 7.489 2.451 9.097 1.00 1.98 H new ATOM 947 N LYS A 61 4.476 5.042 14.145 1.00 0.74 N ATOM 948 CA LYS A 61 4.823 5.076 15.558 1.00 0.81 C ATOM 949 C LYS A 61 4.565 3.717 16.221 1.00 0.80 C ATOM 950 O LYS A 61 5.483 3.107 16.761 1.00 0.84 O ATOM 951 CB LYS A 61 4.101 6.230 16.254 1.00 0.92 C ATOM 952 CG LYS A 61 4.654 6.447 17.669 1.00 0.98 C ATOM 953 CD LYS A 61 4.024 7.662 18.370 1.00 1.23 C ATOM 954 CE LYS A 61 4.034 8.968 17.557 1.00 1.92 C ATOM 955 NZ LYS A 61 5.370 9.301 17.022 1.00 3.54 N ATOM 0 H LYS A 61 3.779 5.731 13.862 1.00 0.74 H new ATOM 0 HA LYS A 61 5.892 5.264 15.659 1.00 0.81 H new ATOM 0 HB2 LYS A 61 4.218 7.143 15.670 1.00 0.92 H new ATOM 0 HB3 LYS A 61 3.033 6.018 16.305 1.00 0.92 H new ATOM 0 HG2 LYS A 61 4.474 5.553 18.267 1.00 0.98 H new ATOM 0 HG3 LYS A 61 5.734 6.582 17.616 1.00 0.98 H new ATOM 0 HD2 LYS A 61 2.992 7.419 18.624 1.00 1.23 H new ATOM 0 HD3 LYS A 61 4.552 7.833 19.308 1.00 1.23 H new ATOM 0 HE2 LYS A 61 3.328 8.881 16.731 1.00 1.92 H new ATOM 0 HE3 LYS A 61 3.687 9.786 18.188 1.00 1.92 H new ATOM 0 HZ1 LYS A 61 5.430 10.325 16.851 1.00 3.54 H new ATOM 0 HZ2 LYS A 61 6.099 9.021 17.709 1.00 3.54 H new ATOM 0 HZ3 LYS A 61 5.523 8.791 16.128 1.00 3.54 H new ATOM 969 N LYS A 62 3.316 3.241 16.173 1.00 0.81 N ATOM 970 CA LYS A 62 2.929 1.914 16.620 1.00 0.81 C ATOM 971 C LYS A 62 3.831 0.852 15.988 1.00 0.69 C ATOM 972 O LYS A 62 4.315 -0.035 16.686 1.00 0.73 O ATOM 973 CB LYS A 62 1.443 1.729 16.268 1.00 0.84 C ATOM 974 CG LYS A 62 0.874 0.333 16.527 1.00 1.95 C ATOM 975 CD LYS A 62 1.152 -0.132 17.957 1.00 3.03 C ATOM 976 CE LYS A 62 0.295 -1.372 18.263 1.00 3.83 C ATOM 977 NZ LYS A 62 0.966 -2.324 19.173 1.00 5.36 N ATOM 0 H LYS A 62 2.533 3.787 15.812 1.00 0.81 H new ATOM 0 HA LYS A 62 3.054 1.802 17.697 1.00 0.81 H new ATOM 0 HB2 LYS A 62 0.860 2.452 16.839 1.00 0.84 H new ATOM 0 HB3 LYS A 62 1.305 1.969 15.214 1.00 0.84 H new ATOM 0 HG2 LYS A 62 -0.201 0.339 16.348 1.00 1.95 H new ATOM 0 HG3 LYS A 62 1.310 -0.375 15.822 1.00 1.95 H new ATOM 0 HD2 LYS A 62 2.209 -0.368 18.076 1.00 3.03 H new ATOM 0 HD3 LYS A 62 0.922 0.666 18.663 1.00 3.03 H new ATOM 0 HE2 LYS A 62 -0.648 -1.055 18.708 1.00 3.83 H new ATOM 0 HE3 LYS A 62 0.052 -1.879 17.329 1.00 3.83 H new ATOM 0 HZ1 LYS A 62 0.461 -3.233 19.158 1.00 5.36 H new ATOM 0 HZ2 LYS A 62 1.948 -2.468 18.862 1.00 5.36 H new ATOM 0 HZ3 LYS A 62 0.962 -1.941 20.140 1.00 5.36 H new ATOM 991 N LEU A 63 4.067 0.957 14.679 1.00 0.61 N ATOM 992 CA LEU A 63 4.875 0.050 13.885 1.00 0.54 C ATOM 993 C LEU A 63 6.148 -0.318 14.632 1.00 0.62 C ATOM 994 O LEU A 63 6.435 -1.497 14.760 1.00 0.66 O ATOM 995 CB LEU A 63 5.160 0.646 12.508 1.00 0.56 C ATOM 996 CG LEU A 63 5.286 -0.382 11.385 1.00 0.82 C ATOM 997 CD1 LEU A 63 6.361 -1.433 11.643 1.00 1.10 C ATOM 998 CD2 LEU A 63 3.959 -1.047 11.010 1.00 1.22 C ATOM 0 H LEU A 63 3.677 1.718 14.123 1.00 0.61 H new ATOM 0 HA LEU A 63 4.318 -0.873 13.722 1.00 0.54 H new ATOM 0 HB2 LEU A 63 4.362 1.344 12.256 1.00 0.56 H new ATOM 0 HB3 LEU A 63 6.083 1.223 12.560 1.00 0.56 H new ATOM 0 HG LEU A 63 5.605 0.206 10.524 1.00 0.82 H new ATOM 0 HD11 LEU A 63 6.396 -2.131 10.806 1.00 1.10 H new ATOM 0 HD12 LEU A 63 7.330 -0.944 11.749 1.00 1.10 H new ATOM 0 HD13 LEU A 63 6.127 -1.976 12.558 1.00 1.10 H new ATOM 0 HD21 LEU A 63 4.126 -1.764 10.207 1.00 1.22 H new ATOM 0 HD22 LEU A 63 3.553 -1.564 11.879 1.00 1.22 H new ATOM 0 HD23 LEU A 63 3.252 -0.287 10.677 1.00 1.22 H new ATOM 1010 N LYS A 64 6.881 0.651 15.192 1.00 0.73 N ATOM 1011 CA LYS A 64 8.124 0.372 15.913 1.00 0.86 C ATOM 1012 C LYS A 64 8.001 -0.735 16.980 1.00 0.90 C ATOM 1013 O LYS A 64 8.973 -1.432 17.253 1.00 0.98 O ATOM 1014 CB LYS A 64 8.723 1.662 16.505 1.00 1.02 C ATOM 1015 CG LYS A 64 10.015 2.050 15.772 1.00 1.48 C ATOM 1016 CD LYS A 64 9.719 2.551 14.349 1.00 1.71 C ATOM 1017 CE LYS A 64 10.770 2.091 13.333 1.00 2.07 C ATOM 1018 NZ LYS A 64 12.130 2.572 13.630 1.00 2.15 N ATOM 0 H LYS A 64 6.631 1.639 15.158 1.00 0.73 H new ATOM 0 HA LYS A 64 8.814 -0.024 15.168 1.00 0.86 H new ATOM 0 HB2 LYS A 64 7.999 2.473 16.429 1.00 1.02 H new ATOM 0 HB3 LYS A 64 8.930 1.519 17.565 1.00 1.02 H new ATOM 0 HG2 LYS A 64 10.535 2.827 16.333 1.00 1.48 H new ATOM 0 HG3 LYS A 64 10.682 1.189 15.726 1.00 1.48 H new ATOM 0 HD2 LYS A 64 8.737 2.193 14.038 1.00 1.71 H new ATOM 0 HD3 LYS A 64 9.675 3.640 14.353 1.00 1.71 H new ATOM 0 HE2 LYS A 64 10.778 1.002 13.300 1.00 2.07 H new ATOM 0 HE3 LYS A 64 10.480 2.438 12.341 1.00 2.07 H new ATOM 0 HZ1 LYS A 64 12.782 2.252 12.885 1.00 2.15 H new ATOM 0 HZ2 LYS A 64 12.130 3.611 13.667 1.00 2.15 H new ATOM 0 HZ3 LYS A 64 12.440 2.193 14.547 1.00 2.15 H new ATOM 1032 N ALA A 65 6.834 -0.882 17.604 1.00 0.91 N ATOM 1033 CA ALA A 65 6.542 -1.956 18.552 1.00 1.00 C ATOM 1034 C ALA A 65 6.264 -3.292 17.873 1.00 0.95 C ATOM 1035 O ALA A 65 6.607 -4.347 18.404 1.00 1.07 O ATOM 1036 CB ALA A 65 5.388 -1.537 19.467 1.00 1.09 C ATOM 0 H ALA A 65 6.049 -0.246 17.462 1.00 0.91 H new ATOM 0 HA ALA A 65 7.436 -2.116 19.155 1.00 1.00 H new ATOM 0 HB1 ALA A 65 5.173 -2.340 20.172 1.00 1.09 H new ATOM 0 HB2 ALA A 65 5.667 -0.637 20.015 1.00 1.09 H new ATOM 0 HB3 ALA A 65 4.502 -1.335 18.866 1.00 1.09 H new ATOM 1042 N GLU A 66 5.657 -3.244 16.691 1.00 0.84 N ATOM 1043 CA GLU A 66 5.362 -4.404 15.889 1.00 0.84 C ATOM 1044 C GLU A 66 6.651 -4.783 15.155 1.00 0.76 C ATOM 1045 O GLU A 66 6.785 -5.905 14.678 1.00 0.85 O ATOM 1046 CB GLU A 66 4.196 -4.111 14.923 1.00 0.85 C ATOM 1047 CG GLU A 66 3.115 -3.147 15.450 1.00 0.91 C ATOM 1048 CD GLU A 66 2.487 -3.526 16.786 1.00 1.00 C ATOM 1049 OE1 GLU A 66 3.056 -3.154 17.835 1.00 2.26 O ATOM 1050 OE2 GLU A 66 1.349 -4.038 16.790 1.00 1.64 O ATOM 0 H GLU A 66 5.353 -2.370 16.262 1.00 0.84 H new ATOM 0 HA GLU A 66 5.036 -5.242 16.505 1.00 0.84 H new ATOM 0 HB2 GLU A 66 4.607 -3.698 14.002 1.00 0.85 H new ATOM 0 HB3 GLU A 66 3.718 -5.056 14.663 1.00 0.85 H new ATOM 0 HG2 GLU A 66 3.555 -2.154 15.545 1.00 0.91 H new ATOM 0 HG3 GLU A 66 2.323 -3.075 14.704 1.00 0.91 H new ATOM 1057 N ASN A 67 7.611 -3.850 15.070 1.00 0.67 N ATOM 1058 CA ASN A 67 8.811 -3.893 14.265 1.00 0.68 C ATOM 1059 C ASN A 67 9.881 -4.821 14.832 1.00 1.25 C ATOM 1060 O ASN A 67 11.056 -4.477 14.900 1.00 2.47 O ATOM 1061 CB ASN A 67 9.361 -2.478 14.091 1.00 0.80 C ATOM 1062 CG ASN A 67 10.518 -2.393 13.114 1.00 1.55 C ATOM 1063 OD1 ASN A 67 11.433 -1.595 13.307 1.00 2.24 O ATOM 1064 ND2 ASN A 67 10.462 -3.150 12.026 1.00 2.34 N ATOM 0 H ASN A 67 7.551 -2.986 15.608 1.00 0.67 H new ATOM 0 HA ASN A 67 8.536 -4.307 13.295 1.00 0.68 H new ATOM 0 HB2 ASN A 67 8.558 -1.825 13.749 1.00 0.80 H new ATOM 0 HB3 ASN A 67 9.687 -2.102 15.061 1.00 0.80 H new ATOM 0 HD21 ASN A 67 11.193 -3.080 11.318 1.00 2.34 H new ATOM 0 HD22 ASN A 67 9.688 -3.802 11.898 1.00 2.34 H new ATOM 1071 N ILE A 68 9.468 -6.025 15.201 1.00 0.82 N ATOM 1072 CA ILE A 68 10.351 -7.187 15.211 1.00 0.97 C ATOM 1073 C ILE A 68 11.112 -7.211 13.867 1.00 0.90 C ATOM 1074 O ILE A 68 12.311 -6.946 13.840 1.00 0.98 O ATOM 1075 CB ILE A 68 9.549 -8.465 15.519 1.00 1.15 C ATOM 1076 CG1 ILE A 68 9.132 -8.531 17.002 1.00 1.22 C ATOM 1077 CG2 ILE A 68 10.376 -9.725 15.221 1.00 1.30 C ATOM 1078 CD1 ILE A 68 8.134 -7.459 17.458 1.00 1.21 C ATOM 0 H ILE A 68 8.514 -6.226 15.502 1.00 0.82 H new ATOM 0 HA ILE A 68 11.095 -7.129 16.006 1.00 0.97 H new ATOM 0 HB ILE A 68 8.665 -8.428 14.882 1.00 1.15 H new ATOM 0 HG12 ILE A 68 8.698 -9.512 17.196 1.00 1.22 H new ATOM 0 HG13 ILE A 68 10.029 -8.452 17.617 1.00 1.22 H new ATOM 0 HG21 ILE A 68 9.783 -10.611 15.448 1.00 1.30 H new ATOM 0 HG22 ILE A 68 10.656 -9.736 14.168 1.00 1.30 H new ATOM 0 HG23 ILE A 68 11.276 -9.723 15.836 1.00 1.30 H new ATOM 0 HD11 ILE A 68 7.909 -7.597 18.516 1.00 1.21 H new ATOM 0 HD12 ILE A 68 8.567 -6.470 17.305 1.00 1.21 H new ATOM 0 HD13 ILE A 68 7.216 -7.546 16.878 1.00 1.21 H new ATOM 1090 N ASP A 69 10.394 -7.452 12.760 1.00 0.87 N ATOM 1091 CA ASP A 69 10.758 -7.051 11.398 1.00 0.89 C ATOM 1092 C ASP A 69 9.511 -7.050 10.518 1.00 0.81 C ATOM 1093 O ASP A 69 9.483 -7.589 9.414 1.00 1.06 O ATOM 1094 CB ASP A 69 11.857 -7.918 10.809 1.00 1.09 C ATOM 1095 CG ASP A 69 12.409 -7.408 9.470 1.00 1.19 C ATOM 1096 OD1 ASP A 69 11.901 -6.394 8.925 1.00 1.86 O ATOM 1097 OD2 ASP A 69 13.331 -8.065 8.950 1.00 2.04 O ATOM 0 H ASP A 69 9.506 -7.953 12.794 1.00 0.87 H new ATOM 0 HA ASP A 69 11.167 -6.041 11.440 1.00 0.89 H new ATOM 0 HB2 ASP A 69 12.676 -7.984 11.525 1.00 1.09 H new ATOM 0 HB3 ASP A 69 11.472 -8.928 10.670 1.00 1.09 H new ATOM 1102 N VAL A 70 8.452 -6.428 11.031 1.00 0.61 N ATOM 1103 CA VAL A 70 7.366 -6.000 10.167 1.00 0.52 C ATOM 1104 C VAL A 70 7.730 -4.597 9.680 1.00 0.46 C ATOM 1105 O VAL A 70 8.298 -3.800 10.432 1.00 0.54 O ATOM 1106 CB VAL A 70 5.984 -6.114 10.838 1.00 0.55 C ATOM 1107 CG1 VAL A 70 5.865 -7.348 11.743 1.00 0.76 C ATOM 1108 CG2 VAL A 70 5.555 -4.870 11.616 1.00 0.51 C ATOM 0 H VAL A 70 8.327 -6.214 12.021 1.00 0.61 H new ATOM 0 HA VAL A 70 7.259 -6.662 9.308 1.00 0.52 H new ATOM 0 HB VAL A 70 5.300 -6.220 9.996 1.00 0.55 H new ATOM 0 HG11 VAL A 70 4.871 -7.377 12.189 1.00 0.76 H new ATOM 0 HG12 VAL A 70 6.024 -8.250 11.152 1.00 0.76 H new ATOM 0 HG13 VAL A 70 6.615 -7.294 12.532 1.00 0.76 H new ATOM 0 HG21 VAL A 70 4.572 -5.037 12.055 1.00 0.51 H new ATOM 0 HG22 VAL A 70 6.277 -4.669 12.408 1.00 0.51 H new ATOM 0 HG23 VAL A 70 5.510 -4.016 10.940 1.00 0.51 H new ATOM 1118 N ARG A 71 7.431 -4.311 8.416 1.00 0.46 N ATOM 1119 CA ARG A 71 7.620 -3.021 7.779 1.00 0.41 C ATOM 1120 C ARG A 71 6.302 -2.662 7.124 1.00 0.43 C ATOM 1121 O ARG A 71 5.503 -3.537 6.798 1.00 0.69 O ATOM 1122 CB ARG A 71 8.780 -3.083 6.775 1.00 0.59 C ATOM 1123 CG ARG A 71 10.072 -2.712 7.514 1.00 0.76 C ATOM 1124 CD ARG A 71 11.347 -3.198 6.830 1.00 0.71 C ATOM 1125 NE ARG A 71 11.448 -4.658 6.947 1.00 0.83 N ATOM 1126 CZ ARG A 71 11.199 -5.574 6.002 1.00 0.87 C ATOM 1127 NH1 ARG A 71 10.943 -5.222 4.731 1.00 0.92 N ATOM 1128 NH2 ARG A 71 11.204 -6.855 6.384 1.00 1.13 N ATOM 0 H ARG A 71 7.033 -5.006 7.784 1.00 0.46 H new ATOM 0 HA ARG A 71 7.893 -2.250 8.500 1.00 0.41 H new ATOM 0 HB2 ARG A 71 8.860 -4.082 6.347 1.00 0.59 H new ATOM 0 HB3 ARG A 71 8.604 -2.395 5.948 1.00 0.59 H new ATOM 0 HG2 ARG A 71 10.119 -1.628 7.617 1.00 0.76 H new ATOM 0 HG3 ARG A 71 10.033 -3.127 8.521 1.00 0.76 H new ATOM 0 HD2 ARG A 71 11.340 -2.908 5.779 1.00 0.71 H new ATOM 0 HD3 ARG A 71 12.218 -2.726 7.286 1.00 0.71 H new ATOM 0 HE ARG A 71 11.743 -5.017 7.855 1.00 0.83 H new ATOM 0 HH11 ARG A 71 10.935 -4.237 4.466 1.00 0.92 H new ATOM 0 HH12 ARG A 71 10.757 -5.940 4.031 1.00 0.92 H new ATOM 0 HH21 ARG A 71 11.392 -7.096 7.357 1.00 1.13 H new ATOM 0 HH22 ARG A 71 11.020 -7.591 5.702 1.00 1.13 H new ATOM 1142 N ILE A 72 6.070 -1.363 6.984 1.00 0.30 N ATOM 1143 CA ILE A 72 4.934 -0.848 6.263 1.00 0.29 C ATOM 1144 C ILE A 72 5.398 -0.658 4.821 1.00 0.28 C ATOM 1145 O ILE A 72 6.291 0.154 4.571 1.00 0.33 O ATOM 1146 CB ILE A 72 4.414 0.430 6.945 1.00 0.31 C ATOM 1147 CG1 ILE A 72 3.360 1.106 6.057 1.00 0.45 C ATOM 1148 CG2 ILE A 72 5.498 1.425 7.378 1.00 0.33 C ATOM 1149 CD1 ILE A 72 2.796 2.319 6.781 1.00 1.29 C ATOM 0 H ILE A 72 6.674 -0.640 7.374 1.00 0.30 H new ATOM 0 HA ILE A 72 4.079 -1.525 6.264 1.00 0.29 H new ATOM 0 HB ILE A 72 3.961 0.103 7.881 1.00 0.31 H new ATOM 0 HG12 ILE A 72 3.806 1.408 5.110 1.00 0.45 H new ATOM 0 HG13 ILE A 72 2.560 0.403 5.823 1.00 0.45 H new ATOM 0 HG21 ILE A 72 5.031 2.291 7.847 1.00 0.33 H new ATOM 0 HG22 ILE A 72 6.170 0.945 8.090 1.00 0.33 H new ATOM 0 HG23 ILE A 72 6.065 1.748 6.505 1.00 0.33 H new ATOM 0 HD11 ILE A 72 2.047 2.802 6.153 1.00 1.29 H new ATOM 0 HD12 ILE A 72 2.336 2.003 7.717 1.00 1.29 H new ATOM 0 HD13 ILE A 72 3.601 3.023 6.992 1.00 1.29 H new ATOM 1161 N ILE A 73 4.864 -1.443 3.882 1.00 0.28 N ATOM 1162 CA ILE A 73 5.135 -1.245 2.472 1.00 0.30 C ATOM 1163 C ILE A 73 4.148 -0.210 1.953 1.00 0.36 C ATOM 1164 O ILE A 73 3.021 -0.130 2.431 1.00 0.51 O ATOM 1165 CB ILE A 73 5.039 -2.598 1.745 1.00 0.35 C ATOM 1166 CG1 ILE A 73 6.395 -3.315 1.713 1.00 0.38 C ATOM 1167 CG2 ILE A 73 4.502 -2.502 0.308 1.00 0.43 C ATOM 1168 CD1 ILE A 73 6.901 -3.720 3.100 1.00 0.41 C ATOM 0 H ILE A 73 4.239 -2.224 4.083 1.00 0.28 H new ATOM 0 HA ILE A 73 6.142 -0.869 2.293 1.00 0.30 H new ATOM 0 HB ILE A 73 4.318 -3.171 2.329 1.00 0.35 H new ATOM 0 HG12 ILE A 73 6.312 -4.206 1.090 1.00 0.38 H new ATOM 0 HG13 ILE A 73 7.131 -2.664 1.242 1.00 0.38 H new ATOM 0 HG21 ILE A 73 4.465 -3.498 -0.134 1.00 0.43 H new ATOM 0 HG22 ILE A 73 3.500 -2.074 0.322 1.00 0.43 H new ATOM 0 HG23 ILE A 73 5.160 -1.866 -0.284 1.00 0.43 H new ATOM 0 HD11 ILE A 73 7.864 -4.222 3.004 1.00 0.41 H new ATOM 0 HD12 ILE A 73 7.016 -2.831 3.719 1.00 0.41 H new ATOM 0 HD13 ILE A 73 6.184 -4.396 3.566 1.00 0.41 H new ATOM 1180 N SER A 74 4.562 0.571 0.962 1.00 0.39 N ATOM 1181 CA SER A 74 3.701 1.600 0.408 1.00 0.51 C ATOM 1182 C SER A 74 4.062 1.771 -1.065 1.00 0.62 C ATOM 1183 O SER A 74 5.076 2.399 -1.367 1.00 0.70 O ATOM 1184 CB SER A 74 3.971 2.888 1.184 1.00 0.58 C ATOM 1185 OG SER A 74 3.654 2.721 2.549 1.00 1.79 O ATOM 0 H SER A 74 5.484 0.509 0.530 1.00 0.39 H new ATOM 0 HA SER A 74 2.645 1.342 0.487 1.00 0.51 H new ATOM 0 HB2 SER A 74 5.019 3.169 1.080 1.00 0.58 H new ATOM 0 HB3 SER A 74 3.380 3.702 0.765 1.00 0.58 H new ATOM 0 HG SER A 74 2.808 3.174 2.746 1.00 1.79 H new ATOM 1191 N PHE A 75 3.327 1.150 -1.989 1.00 0.74 N ATOM 1192 CA PHE A 75 3.804 1.080 -3.370 1.00 0.79 C ATOM 1193 C PHE A 75 3.294 2.232 -4.239 1.00 0.64 C ATOM 1194 O PHE A 75 2.237 2.808 -3.977 1.00 0.64 O ATOM 1195 CB PHE A 75 3.556 -0.306 -3.970 1.00 1.01 C ATOM 1196 CG PHE A 75 2.115 -0.715 -4.155 1.00 0.70 C ATOM 1197 CD1 PHE A 75 1.400 -0.209 -5.254 1.00 2.11 C ATOM 1198 CD2 PHE A 75 1.612 -1.819 -3.442 1.00 1.82 C ATOM 1199 CE1 PHE A 75 0.221 -0.838 -5.672 1.00 2.25 C ATOM 1200 CE2 PHE A 75 0.459 -2.478 -3.894 1.00 1.78 C ATOM 1201 CZ PHE A 75 -0.236 -1.993 -5.014 1.00 0.96 C ATOM 0 H PHE A 75 2.428 0.702 -1.815 1.00 0.74 H new ATOM 0 HA PHE A 75 4.885 1.218 -3.349 1.00 0.79 H new ATOM 0 HB2 PHE A 75 4.050 -0.350 -4.941 1.00 1.01 H new ATOM 0 HB3 PHE A 75 4.041 -1.045 -3.332 1.00 1.01 H new ATOM 0 HD1 PHE A 75 1.760 0.665 -5.776 1.00 2.11 H new ATOM 0 HD2 PHE A 75 2.113 -2.159 -2.548 1.00 1.82 H new ATOM 0 HE1 PHE A 75 -0.339 -0.434 -6.503 1.00 2.25 H new ATOM 0 HE2 PHE A 75 0.105 -3.360 -3.380 1.00 1.78 H new ATOM 0 HZ PHE A 75 -1.118 -2.506 -5.368 1.00 0.96 H new ATOM 1211 N SER A 76 4.039 2.555 -5.302 1.00 0.56 N ATOM 1212 CA SER A 76 3.655 3.628 -6.201 1.00 0.50 C ATOM 1213 C SER A 76 2.520 3.154 -7.097 1.00 0.44 C ATOM 1214 O SER A 76 2.636 2.166 -7.822 1.00 0.54 O ATOM 1215 CB SER A 76 4.836 4.118 -7.049 1.00 0.59 C ATOM 1216 OG SER A 76 4.383 5.202 -7.842 1.00 1.62 O ATOM 0 H SER A 76 4.908 2.084 -5.553 1.00 0.56 H new ATOM 0 HA SER A 76 3.322 4.473 -5.598 1.00 0.50 H new ATOM 0 HB2 SER A 76 5.661 4.432 -6.409 1.00 0.59 H new ATOM 0 HB3 SER A 76 5.211 3.313 -7.681 1.00 0.59 H new ATOM 0 HG SER A 76 5.149 5.744 -8.123 1.00 1.62 H new ATOM 1222 N VAL A 77 1.415 3.889 -7.058 1.00 0.61 N ATOM 1223 CA VAL A 77 0.345 3.750 -8.014 1.00 0.61 C ATOM 1224 C VAL A 77 0.811 4.469 -9.268 1.00 0.63 C ATOM 1225 O VAL A 77 0.698 5.687 -9.380 1.00 0.77 O ATOM 1226 CB VAL A 77 -0.928 4.367 -7.443 1.00 0.66 C ATOM 1227 CG1 VAL A 77 -2.063 4.418 -8.477 1.00 0.76 C ATOM 1228 CG2 VAL A 77 -1.395 3.538 -6.246 1.00 0.78 C ATOM 0 H VAL A 77 1.244 4.603 -6.351 1.00 0.61 H new ATOM 0 HA VAL A 77 0.116 2.709 -8.240 1.00 0.61 H new ATOM 0 HB VAL A 77 -0.693 5.389 -7.147 1.00 0.66 H new ATOM 0 HG11 VAL A 77 -2.948 4.865 -8.024 1.00 0.76 H new ATOM 0 HG12 VAL A 77 -1.750 5.018 -9.331 1.00 0.76 H new ATOM 0 HG13 VAL A 77 -2.297 3.407 -8.810 1.00 0.76 H new ATOM 0 HG21 VAL A 77 -2.305 3.975 -5.834 1.00 0.78 H new ATOM 0 HG22 VAL A 77 -1.596 2.516 -6.567 1.00 0.78 H new ATOM 0 HG23 VAL A 77 -0.617 3.532 -5.482 1.00 0.78 H new ATOM 1238 N ASP A 78 1.345 3.674 -10.190 1.00 0.84 N ATOM 1239 CA ASP A 78 1.732 4.079 -11.525 1.00 0.90 C ATOM 1240 C ASP A 78 2.970 4.967 -11.575 1.00 0.77 C ATOM 1241 O ASP A 78 2.879 6.148 -11.915 1.00 0.97 O ATOM 1242 CB ASP A 78 0.569 4.701 -12.311 1.00 1.15 C ATOM 1243 CG ASP A 78 1.057 4.995 -13.729 1.00 1.28 C ATOM 1244 OD1 ASP A 78 2.002 4.290 -14.155 1.00 2.33 O ATOM 1245 OD2 ASP A 78 0.534 5.945 -14.348 1.00 1.74 O ATOM 0 H ASP A 78 1.525 2.686 -10.012 1.00 0.84 H new ATOM 0 HA ASP A 78 2.011 3.149 -12.021 1.00 0.90 H new ATOM 0 HB2 ASP A 78 -0.282 4.020 -12.335 1.00 1.15 H new ATOM 0 HB3 ASP A 78 0.230 5.617 -11.828 1.00 1.15 H new ATOM 1250 N PRO A 79 4.163 4.394 -11.380 1.00 0.67 N ATOM 1251 CA PRO A 79 5.389 5.107 -11.641 1.00 0.80 C ATOM 1252 C PRO A 79 5.708 5.207 -13.139 1.00 0.92 C ATOM 1253 O PRO A 79 6.820 5.628 -13.476 1.00 1.23 O ATOM 1254 CB PRO A 79 6.461 4.374 -10.832 1.00 0.84 C ATOM 1255 CG PRO A 79 5.972 2.933 -10.910 1.00 0.83 C ATOM 1256 CD PRO A 79 4.445 3.063 -10.868 1.00 0.72 C ATOM 0 HA PRO A 79 5.322 6.151 -11.335 1.00 0.80 H new ATOM 0 HB2 PRO A 79 7.454 4.494 -11.265 1.00 0.84 H new ATOM 0 HB3 PRO A 79 6.516 4.733 -9.804 1.00 0.84 H new ATOM 0 HG2 PRO A 79 6.307 2.446 -11.826 1.00 0.83 H new ATOM 0 HG3 PRO A 79 6.346 2.338 -10.077 1.00 0.83 H new ATOM 0 HD2 PRO A 79 3.967 2.297 -11.478 1.00 0.72 H new ATOM 0 HD3 PRO A 79 4.067 2.943 -9.853 1.00 0.72 H new ATOM 1264 N GLU A 80 4.761 4.956 -14.069 1.00 0.86 N ATOM 1265 CA GLU A 80 4.878 5.659 -15.329 1.00 1.03 C ATOM 1266 C GLU A 80 4.900 7.157 -15.009 1.00 0.98 C ATOM 1267 O GLU A 80 5.797 7.873 -15.457 1.00 1.19 O ATOM 1268 CB GLU A 80 3.710 5.312 -16.255 1.00 1.30 C ATOM 1269 CG GLU A 80 3.986 5.872 -17.644 1.00 2.34 C ATOM 1270 CD GLU A 80 2.747 5.834 -18.518 1.00 2.96 C ATOM 1271 OE1 GLU A 80 1.808 6.626 -18.267 1.00 4.29 O ATOM 1272 OE2 GLU A 80 2.665 4.954 -19.404 1.00 2.68 O ATOM 0 H GLU A 80 3.970 4.319 -13.971 1.00 0.86 H new ATOM 0 HA GLU A 80 5.790 5.367 -15.850 1.00 1.03 H new ATOM 0 HB2 GLU A 80 3.580 4.231 -16.305 1.00 1.30 H new ATOM 0 HB3 GLU A 80 2.782 5.727 -15.861 1.00 1.30 H new ATOM 0 HG2 GLU A 80 4.340 6.899 -17.559 1.00 2.34 H new ATOM 0 HG3 GLU A 80 4.783 5.298 -18.117 1.00 2.34 H new ATOM 1279 N ASN A 81 3.952 7.613 -14.188 1.00 0.98 N ATOM 1280 CA ASN A 81 3.718 9.025 -13.931 1.00 1.31 C ATOM 1281 C ASN A 81 4.231 9.397 -12.541 1.00 1.38 C ATOM 1282 O ASN A 81 5.067 10.293 -12.396 1.00 1.65 O ATOM 1283 CB ASN A 81 2.228 9.326 -14.148 1.00 1.65 C ATOM 1284 CG ASN A 81 1.883 9.101 -15.622 1.00 1.73 C ATOM 1285 OD1 ASN A 81 2.171 9.956 -16.454 1.00 2.57 O ATOM 1286 ND2 ASN A 81 1.338 7.939 -15.967 1.00 2.32 N ATOM 0 H ASN A 81 3.318 6.998 -13.678 1.00 0.98 H new ATOM 0 HA ASN A 81 4.276 9.651 -14.628 1.00 1.31 H new ATOM 0 HB2 ASN A 81 1.618 8.681 -13.516 1.00 1.65 H new ATOM 0 HB3 ASN A 81 2.006 10.354 -13.862 1.00 1.65 H new ATOM 0 HD21 ASN A 81 1.147 7.737 -16.948 1.00 2.32 H new ATOM 0 HD22 ASN A 81 1.111 7.250 -15.250 1.00 2.32 H new ATOM 1293 N ASP A 82 3.779 8.684 -11.512 1.00 1.53 N ATOM 1294 CA ASP A 82 4.175 8.887 -10.125 1.00 1.66 C ATOM 1295 C ASP A 82 5.541 8.250 -9.856 1.00 1.74 C ATOM 1296 O ASP A 82 5.689 7.276 -9.112 1.00 3.09 O ATOM 1297 CB ASP A 82 3.070 8.371 -9.199 1.00 1.76 C ATOM 1298 CG ASP A 82 2.535 9.502 -8.351 1.00 2.01 C ATOM 1299 OD1 ASP A 82 3.176 9.807 -7.325 1.00 2.48 O ATOM 1300 OD2 ASP A 82 1.474 10.080 -8.670 1.00 2.91 O ATOM 0 H ASP A 82 3.106 7.926 -11.627 1.00 1.53 H new ATOM 0 HA ASP A 82 4.296 9.951 -9.920 1.00 1.66 H new ATOM 0 HB2 ASP A 82 2.264 7.935 -9.789 1.00 1.76 H new ATOM 0 HB3 ASP A 82 3.460 7.579 -8.559 1.00 1.76 H new ATOM 1305 N LYS A 83 6.570 8.773 -10.520 1.00 1.06 N ATOM 1306 CA LYS A 83 7.911 8.237 -10.365 1.00 1.04 C ATOM 1307 C LYS A 83 8.345 8.353 -8.896 1.00 0.95 C ATOM 1308 O LYS A 83 7.958 9.309 -8.222 1.00 0.95 O ATOM 1309 CB LYS A 83 8.868 8.908 -11.347 1.00 1.20 C ATOM 1310 CG LYS A 83 8.359 8.746 -12.788 1.00 1.75 C ATOM 1311 CD LYS A 83 9.486 8.986 -13.800 1.00 1.64 C ATOM 1312 CE LYS A 83 9.015 8.819 -15.253 1.00 2.19 C ATOM 1313 NZ LYS A 83 8.369 7.512 -15.503 1.00 3.22 N ATOM 0 H LYS A 83 6.497 9.561 -11.164 1.00 1.06 H new ATOM 0 HA LYS A 83 7.928 7.176 -10.613 1.00 1.04 H new ATOM 0 HB2 LYS A 83 8.964 9.967 -11.105 1.00 1.20 H new ATOM 0 HB3 LYS A 83 9.861 8.469 -11.254 1.00 1.20 H new ATOM 0 HG2 LYS A 83 7.952 7.744 -12.923 1.00 1.75 H new ATOM 0 HG3 LYS A 83 7.546 9.448 -12.971 1.00 1.75 H new ATOM 0 HD2 LYS A 83 9.885 9.991 -13.664 1.00 1.64 H new ATOM 0 HD3 LYS A 83 10.301 8.290 -13.603 1.00 1.64 H new ATOM 0 HE2 LYS A 83 8.314 9.617 -15.496 1.00 2.19 H new ATOM 0 HE3 LYS A 83 9.869 8.930 -15.921 1.00 2.19 H new ATOM 0 HZ1 LYS A 83 8.439 7.278 -16.514 1.00 3.22 H new ATOM 0 HZ2 LYS A 83 8.846 6.776 -14.944 1.00 3.22 H new ATOM 0 HZ3 LYS A 83 7.367 7.561 -15.227 1.00 3.22 H new ATOM 1327 N PRO A 84 9.152 7.408 -8.378 1.00 0.90 N ATOM 1328 CA PRO A 84 9.507 7.335 -6.964 1.00 0.77 C ATOM 1329 C PRO A 84 10.078 8.637 -6.404 1.00 0.70 C ATOM 1330 O PRO A 84 9.997 8.879 -5.206 1.00 0.54 O ATOM 1331 CB PRO A 84 10.514 6.188 -6.834 1.00 0.80 C ATOM 1332 CG PRO A 84 11.010 5.962 -8.261 1.00 0.92 C ATOM 1333 CD PRO A 84 9.785 6.316 -9.100 1.00 0.97 C ATOM 0 HA PRO A 84 8.608 7.160 -6.373 1.00 0.77 H new ATOM 0 HB2 PRO A 84 11.333 6.451 -6.165 1.00 0.80 H new ATOM 0 HB3 PRO A 84 10.046 5.291 -6.428 1.00 0.80 H new ATOM 0 HG2 PRO A 84 11.862 6.598 -8.499 1.00 0.92 H new ATOM 0 HG3 PRO A 84 11.327 4.932 -8.421 1.00 0.92 H new ATOM 0 HD2 PRO A 84 10.068 6.618 -10.108 1.00 0.97 H new ATOM 0 HD3 PRO A 84 9.113 5.464 -9.200 1.00 0.97 H new ATOM 1341 N LYS A 85 10.650 9.485 -7.257 1.00 0.86 N ATOM 1342 CA LYS A 85 11.124 10.803 -6.897 1.00 0.86 C ATOM 1343 C LYS A 85 10.002 11.667 -6.306 1.00 0.77 C ATOM 1344 O LYS A 85 10.207 12.369 -5.316 1.00 0.70 O ATOM 1345 CB LYS A 85 11.751 11.425 -8.137 1.00 1.12 C ATOM 1346 CG LYS A 85 13.233 11.077 -8.253 1.00 1.49 C ATOM 1347 CD LYS A 85 13.871 11.503 -9.584 1.00 2.35 C ATOM 1348 CE LYS A 85 13.949 13.032 -9.724 1.00 3.72 C ATOM 1349 NZ LYS A 85 14.716 13.443 -10.919 1.00 4.84 N ATOM 0 H LYS A 85 10.796 9.260 -8.241 1.00 0.86 H new ATOM 0 HA LYS A 85 11.875 10.733 -6.110 1.00 0.86 H new ATOM 0 HB2 LYS A 85 11.224 11.076 -9.025 1.00 1.12 H new ATOM 0 HB3 LYS A 85 11.633 12.508 -8.101 1.00 1.12 H new ATOM 0 HG2 LYS A 85 13.773 11.553 -7.434 1.00 1.49 H new ATOM 0 HG3 LYS A 85 13.354 10.001 -8.132 1.00 1.49 H new ATOM 0 HD2 LYS A 85 14.873 11.081 -9.657 1.00 2.35 H new ATOM 0 HD3 LYS A 85 13.292 11.093 -10.411 1.00 2.35 H new ATOM 0 HE2 LYS A 85 12.941 13.442 -9.782 1.00 3.72 H new ATOM 0 HE3 LYS A 85 14.414 13.454 -8.833 1.00 3.72 H new ATOM 0 HZ1 LYS A 85 14.743 14.481 -10.974 1.00 4.84 H new ATOM 0 HZ2 LYS A 85 15.686 13.074 -10.853 1.00 4.84 H new ATOM 0 HZ3 LYS A 85 14.259 13.063 -11.772 1.00 4.84 H new ATOM 1363 N GLN A 86 8.815 11.620 -6.916 1.00 0.82 N ATOM 1364 CA GLN A 86 7.665 12.382 -6.461 1.00 0.80 C ATOM 1365 C GLN A 86 7.176 11.808 -5.134 1.00 0.70 C ATOM 1366 O GLN A 86 6.928 12.563 -4.194 1.00 0.68 O ATOM 1367 CB GLN A 86 6.590 12.396 -7.540 1.00 0.95 C ATOM 1368 CG GLN A 86 7.073 13.173 -8.776 1.00 1.04 C ATOM 1369 CD GLN A 86 6.769 12.438 -10.074 1.00 2.84 C ATOM 1370 OE1 GLN A 86 7.674 12.131 -10.843 1.00 4.24 O ATOM 1371 NE2 GLN A 86 5.501 12.150 -10.326 1.00 3.98 N ATOM 0 H GLN A 86 8.631 11.049 -7.741 1.00 0.82 H new ATOM 0 HA GLN A 86 7.939 13.422 -6.283 1.00 0.80 H new ATOM 0 HB2 GLN A 86 6.337 11.374 -7.822 1.00 0.95 H new ATOM 0 HB3 GLN A 86 5.681 12.853 -7.149 1.00 0.95 H new ATOM 0 HG2 GLN A 86 6.597 14.153 -8.796 1.00 1.04 H new ATOM 0 HG3 GLN A 86 8.147 13.342 -8.700 1.00 1.04 H new ATOM 0 HE21 GLN A 86 4.775 12.421 -9.663 1.00 3.98 H new ATOM 0 HE22 GLN A 86 5.251 11.657 -11.183 1.00 3.98 H new ATOM 1380 N LEU A 87 7.129 10.476 -5.028 1.00 0.67 N ATOM 1381 CA LEU A 87 6.863 9.826 -3.754 1.00 0.55 C ATOM 1382 C LEU A 87 7.863 10.305 -2.700 1.00 0.49 C ATOM 1383 O LEU A 87 7.460 10.656 -1.595 1.00 0.49 O ATOM 1384 CB LEU A 87 6.858 8.294 -3.860 1.00 0.51 C ATOM 1385 CG LEU A 87 5.541 7.730 -4.422 1.00 0.66 C ATOM 1386 CD1 LEU A 87 5.401 7.870 -5.941 1.00 1.30 C ATOM 1387 CD2 LEU A 87 5.434 6.249 -4.053 1.00 0.98 C ATOM 0 H LEU A 87 7.272 9.835 -5.809 1.00 0.67 H new ATOM 0 HA LEU A 87 5.858 10.113 -3.445 1.00 0.55 H new ATOM 0 HB2 LEU A 87 7.683 7.978 -4.498 1.00 0.51 H new ATOM 0 HB3 LEU A 87 7.037 7.867 -2.873 1.00 0.51 H new ATOM 0 HG LEU A 87 4.739 8.319 -3.977 1.00 0.66 H new ATOM 0 HD11 LEU A 87 4.447 7.449 -6.259 1.00 1.30 H new ATOM 0 HD12 LEU A 87 5.442 8.924 -6.214 1.00 1.30 H new ATOM 0 HD13 LEU A 87 6.215 7.336 -6.432 1.00 1.30 H new ATOM 0 HD21 LEU A 87 4.503 5.842 -4.448 1.00 0.98 H new ATOM 0 HD22 LEU A 87 6.277 5.706 -4.480 1.00 0.98 H new ATOM 0 HD23 LEU A 87 5.445 6.143 -2.968 1.00 0.98 H new ATOM 1399 N LYS A 88 9.159 10.356 -3.026 1.00 0.52 N ATOM 1400 CA LYS A 88 10.170 10.812 -2.087 1.00 0.55 C ATOM 1401 C LYS A 88 9.896 12.259 -1.662 1.00 0.59 C ATOM 1402 O LYS A 88 9.912 12.555 -0.471 1.00 0.61 O ATOM 1403 CB LYS A 88 11.592 10.630 -2.643 1.00 0.70 C ATOM 1404 CG LYS A 88 12.510 10.064 -1.549 1.00 0.79 C ATOM 1405 CD LYS A 88 13.985 10.243 -1.928 1.00 1.23 C ATOM 1406 CE LYS A 88 14.956 9.394 -1.088 1.00 1.36 C ATOM 1407 NZ LYS A 88 14.571 9.281 0.336 1.00 1.86 N ATOM 0 H LYS A 88 9.526 10.084 -3.938 1.00 0.52 H new ATOM 0 HA LYS A 88 10.109 10.187 -1.196 1.00 0.55 H new ATOM 0 HB2 LYS A 88 11.574 9.956 -3.500 1.00 0.70 H new ATOM 0 HB3 LYS A 88 11.979 11.586 -2.997 1.00 0.70 H new ATOM 0 HG2 LYS A 88 12.309 10.568 -0.603 1.00 0.79 H new ATOM 0 HG3 LYS A 88 12.294 9.006 -1.399 1.00 0.79 H new ATOM 0 HD2 LYS A 88 14.112 9.988 -2.980 1.00 1.23 H new ATOM 0 HD3 LYS A 88 14.252 11.294 -1.821 1.00 1.23 H new ATOM 0 HE2 LYS A 88 15.016 8.395 -1.519 1.00 1.36 H new ATOM 0 HE3 LYS A 88 15.953 9.829 -1.152 1.00 1.36 H new ATOM 0 HZ1 LYS A 88 15.427 9.207 0.922 1.00 1.86 H new ATOM 0 HZ2 LYS A 88 14.031 10.124 0.617 1.00 1.86 H new ATOM 0 HZ3 LYS A 88 13.984 8.433 0.471 1.00 1.86 H new ATOM 1421 N LYS A 89 9.630 13.162 -2.613 1.00 0.65 N ATOM 1422 CA LYS A 89 9.265 14.534 -2.300 1.00 0.72 C ATOM 1423 C LYS A 89 8.066 14.584 -1.345 1.00 0.70 C ATOM 1424 O LYS A 89 8.117 15.225 -0.300 1.00 0.75 O ATOM 1425 CB LYS A 89 8.978 15.309 -3.592 1.00 0.87 C ATOM 1426 CG LYS A 89 9.284 16.780 -3.314 1.00 2.05 C ATOM 1427 CD LYS A 89 8.646 17.728 -4.328 1.00 2.58 C ATOM 1428 CE LYS A 89 9.175 17.522 -5.754 1.00 2.67 C ATOM 1429 NZ LYS A 89 8.602 18.507 -6.697 1.00 3.20 N ATOM 0 H LYS A 89 9.663 12.957 -3.612 1.00 0.65 H new ATOM 0 HA LYS A 89 10.104 15.008 -1.791 1.00 0.72 H new ATOM 0 HB2 LYS A 89 9.595 14.936 -4.410 1.00 0.87 H new ATOM 0 HB3 LYS A 89 7.938 15.183 -3.894 1.00 0.87 H new ATOM 0 HG2 LYS A 89 8.931 17.036 -2.315 1.00 2.05 H new ATOM 0 HG3 LYS A 89 10.364 16.927 -3.318 1.00 2.05 H new ATOM 0 HD2 LYS A 89 7.566 17.584 -4.322 1.00 2.58 H new ATOM 0 HD3 LYS A 89 8.832 18.758 -4.022 1.00 2.58 H new ATOM 0 HE2 LYS A 89 10.262 17.607 -5.755 1.00 2.67 H new ATOM 0 HE3 LYS A 89 8.934 16.513 -6.090 1.00 2.67 H new ATOM 0 HZ1 LYS A 89 8.982 18.337 -7.650 1.00 3.20 H new ATOM 0 HZ2 LYS A 89 7.567 18.409 -6.715 1.00 3.20 H new ATOM 0 HZ3 LYS A 89 8.854 19.468 -6.390 1.00 3.20 H new ATOM 1443 N PHE A 90 6.994 13.880 -1.698 1.00 0.69 N ATOM 1444 CA PHE A 90 5.782 13.784 -0.899 1.00 0.75 C ATOM 1445 C PHE A 90 6.120 13.270 0.500 1.00 0.71 C ATOM 1446 O PHE A 90 5.648 13.798 1.503 1.00 0.82 O ATOM 1447 CB PHE A 90 4.815 12.865 -1.647 1.00 0.76 C ATOM 1448 CG PHE A 90 3.654 12.311 -0.849 1.00 0.93 C ATOM 1449 CD1 PHE A 90 2.412 12.972 -0.859 1.00 1.55 C ATOM 1450 CD2 PHE A 90 3.758 11.018 -0.300 1.00 2.18 C ATOM 1451 CE1 PHE A 90 1.266 12.316 -0.375 1.00 1.56 C ATOM 1452 CE2 PHE A 90 2.610 10.360 0.168 1.00 2.51 C ATOM 1453 CZ PHE A 90 1.363 11.002 0.115 1.00 1.56 C ATOM 0 H PHE A 90 6.946 13.349 -2.568 1.00 0.69 H new ATOM 0 HA PHE A 90 5.311 14.757 -0.762 1.00 0.75 H new ATOM 0 HB2 PHE A 90 4.412 13.414 -2.498 1.00 0.76 H new ATOM 0 HB3 PHE A 90 5.384 12.026 -2.049 1.00 0.76 H new ATOM 0 HD1 PHE A 90 2.339 13.981 -1.237 1.00 1.55 H new ATOM 0 HD2 PHE A 90 4.721 10.533 -0.239 1.00 2.18 H new ATOM 0 HE1 PHE A 90 0.312 12.822 -0.380 1.00 1.56 H new ATOM 0 HE2 PHE A 90 2.686 9.360 0.569 1.00 2.51 H new ATOM 0 HZ PHE A 90 0.476 10.485 0.451 1.00 1.56 H new ATOM 1463 N ALA A 91 6.987 12.264 0.573 1.00 0.65 N ATOM 1464 CA ALA A 91 7.432 11.658 1.811 1.00 0.74 C ATOM 1465 C ALA A 91 8.342 12.597 2.603 1.00 0.86 C ATOM 1466 O ALA A 91 8.451 12.483 3.816 1.00 1.18 O ATOM 1467 CB ALA A 91 8.140 10.350 1.476 1.00 0.72 C ATOM 0 H ALA A 91 7.407 11.841 -0.254 1.00 0.65 H new ATOM 0 HA ALA A 91 6.570 11.458 2.448 1.00 0.74 H new ATOM 0 HB1 ALA A 91 8.484 9.876 2.396 1.00 0.72 H new ATOM 0 HB2 ALA A 91 7.448 9.683 0.961 1.00 0.72 H new ATOM 0 HB3 ALA A 91 8.995 10.554 0.831 1.00 0.72 H new ATOM 1473 N ALA A 92 9.015 13.528 1.928 1.00 0.75 N ATOM 1474 CA ALA A 92 9.693 14.635 2.581 1.00 0.84 C ATOM 1475 C ALA A 92 8.697 15.673 3.124 1.00 0.77 C ATOM 1476 O ALA A 92 9.084 16.508 3.937 1.00 0.90 O ATOM 1477 CB ALA A 92 10.701 15.257 1.613 1.00 0.93 C ATOM 0 H ALA A 92 9.103 13.531 0.912 1.00 0.75 H new ATOM 0 HA ALA A 92 10.234 14.255 3.447 1.00 0.84 H new ATOM 0 HB1 ALA A 92 11.210 16.088 2.102 1.00 0.93 H new ATOM 0 HB2 ALA A 92 11.433 14.506 1.318 1.00 0.93 H new ATOM 0 HB3 ALA A 92 10.179 15.622 0.729 1.00 0.93 H new ATOM 1483 N ASN A 93 7.438 15.656 2.664 1.00 0.68 N ATOM 1484 CA ASN A 93 6.417 16.619 3.072 1.00 0.68 C ATOM 1485 C ASN A 93 5.580 16.043 4.216 1.00 0.65 C ATOM 1486 O ASN A 93 5.513 16.636 5.289 1.00 0.74 O ATOM 1487 CB ASN A 93 5.534 17.047 1.886 1.00 0.72 C ATOM 1488 CG ASN A 93 6.306 17.650 0.712 1.00 0.84 C ATOM 1489 OD1 ASN A 93 5.981 17.399 -0.445 1.00 2.02 O ATOM 1490 ND2 ASN A 93 7.317 18.475 0.976 1.00 2.00 N ATOM 0 H ASN A 93 7.101 14.966 1.993 1.00 0.68 H new ATOM 0 HA ASN A 93 6.918 17.518 3.430 1.00 0.68 H new ATOM 0 HB2 ASN A 93 4.976 16.180 1.532 1.00 0.72 H new ATOM 0 HB3 ASN A 93 4.803 17.775 2.237 1.00 0.72 H new ATOM 0 HD21 ASN A 93 7.834 18.909 0.211 1.00 2.00 H new ATOM 0 HD22 ASN A 93 7.574 18.673 1.943 1.00 2.00 H new ATOM 1497 N TYR A 94 4.952 14.883 4.005 1.00 0.63 N ATOM 1498 CA TYR A 94 4.362 14.112 5.095 1.00 0.68 C ATOM 1499 C TYR A 94 5.493 13.734 6.061 1.00 0.69 C ATOM 1500 O TYR A 94 6.436 13.083 5.625 1.00 0.75 O ATOM 1501 CB TYR A 94 3.649 12.879 4.537 1.00 0.76 C ATOM 1502 CG TYR A 94 2.211 13.195 4.187 1.00 0.77 C ATOM 1503 CD1 TYR A 94 1.876 13.696 2.915 1.00 1.44 C ATOM 1504 CD2 TYR A 94 1.226 13.106 5.188 1.00 2.21 C ATOM 1505 CE1 TYR A 94 0.551 14.078 2.639 1.00 1.33 C ATOM 1506 CE2 TYR A 94 -0.089 13.511 4.917 1.00 2.34 C ATOM 1507 CZ TYR A 94 -0.421 14.014 3.651 1.00 0.95 C ATOM 1508 OH TYR A 94 -1.714 14.367 3.408 1.00 1.13 O ATOM 0 H TYR A 94 4.841 14.459 3.084 1.00 0.63 H new ATOM 0 HA TYR A 94 3.612 14.694 5.630 1.00 0.68 H new ATOM 0 HB2 TYR A 94 4.173 12.522 3.650 1.00 0.76 H new ATOM 0 HB3 TYR A 94 3.680 12.074 5.271 1.00 0.76 H new ATOM 0 HD1 TYR A 94 2.635 13.787 2.152 1.00 1.44 H new ATOM 0 HD2 TYR A 94 1.483 12.726 6.166 1.00 2.21 H new ATOM 0 HE1 TYR A 94 0.281 14.420 1.651 1.00 1.33 H new ATOM 0 HE2 TYR A 94 -0.846 13.435 5.684 1.00 2.34 H new ATOM 0 HH TYR A 94 -1.947 14.141 2.483 1.00 1.13 H new ATOM 1518 N PRO A 95 5.463 14.153 7.337 1.00 0.76 N ATOM 1519 CA PRO A 95 6.620 14.066 8.223 1.00 0.87 C ATOM 1520 C PRO A 95 6.835 12.630 8.719 1.00 0.86 C ATOM 1521 O PRO A 95 6.590 12.324 9.885 1.00 1.12 O ATOM 1522 CB PRO A 95 6.320 15.057 9.354 1.00 1.07 C ATOM 1523 CG PRO A 95 4.794 15.027 9.442 1.00 1.06 C ATOM 1524 CD PRO A 95 4.380 14.882 7.977 1.00 0.87 C ATOM 0 HA PRO A 95 7.555 14.319 7.723 1.00 0.87 H new ATOM 0 HB2 PRO A 95 6.784 14.752 10.292 1.00 1.07 H new ATOM 0 HB3 PRO A 95 6.691 16.056 9.125 1.00 1.07 H new ATOM 0 HG2 PRO A 95 4.439 14.194 10.048 1.00 1.06 H new ATOM 0 HG3 PRO A 95 4.395 15.938 9.888 1.00 1.06 H new ATOM 0 HD2 PRO A 95 3.437 14.342 7.887 1.00 0.87 H new ATOM 0 HD3 PRO A 95 4.235 15.857 7.512 1.00 0.87 H new ATOM 1532 N LEU A 96 7.292 11.750 7.824 1.00 0.70 N ATOM 1533 CA LEU A 96 7.462 10.326 8.075 1.00 0.63 C ATOM 1534 C LEU A 96 8.926 9.916 8.208 1.00 0.66 C ATOM 1535 O LEU A 96 9.833 10.717 7.987 1.00 0.77 O ATOM 1536 CB LEU A 96 6.746 9.530 6.982 1.00 0.61 C ATOM 1537 CG LEU A 96 7.295 9.664 5.551 1.00 0.62 C ATOM 1538 CD1 LEU A 96 8.526 8.778 5.301 1.00 0.64 C ATOM 1539 CD2 LEU A 96 6.178 9.255 4.587 1.00 0.72 C ATOM 0 H LEU A 96 7.560 12.022 6.878 1.00 0.70 H new ATOM 0 HA LEU A 96 7.010 10.098 9.040 1.00 0.63 H new ATOM 0 HB2 LEU A 96 6.772 8.476 7.258 1.00 0.61 H new ATOM 0 HB3 LEU A 96 5.699 9.832 6.973 1.00 0.61 H new ATOM 0 HG LEU A 96 7.612 10.696 5.398 1.00 0.62 H new ATOM 0 HD11 LEU A 96 8.870 8.914 4.276 1.00 0.64 H new ATOM 0 HD12 LEU A 96 9.322 9.058 5.991 1.00 0.64 H new ATOM 0 HD13 LEU A 96 8.260 7.733 5.459 1.00 0.64 H new ATOM 0 HD21 LEU A 96 6.535 9.339 3.560 1.00 0.72 H new ATOM 0 HD22 LEU A 96 5.885 8.224 4.786 1.00 0.72 H new ATOM 0 HD23 LEU A 96 5.318 9.910 4.727 1.00 0.72 H new ATOM 1551 N SER A 97 9.143 8.637 8.535 1.00 0.69 N ATOM 1552 CA SER A 97 10.451 8.047 8.735 1.00 0.86 C ATOM 1553 C SER A 97 10.621 6.862 7.779 1.00 0.70 C ATOM 1554 O SER A 97 10.036 5.803 8.006 1.00 1.01 O ATOM 1555 CB SER A 97 10.557 7.605 10.200 1.00 1.18 C ATOM 1556 OG SER A 97 10.110 8.634 11.064 1.00 2.56 O ATOM 0 H SER A 97 8.382 7.971 8.670 1.00 0.69 H new ATOM 0 HA SER A 97 11.244 8.765 8.523 1.00 0.86 H new ATOM 0 HB2 SER A 97 9.962 6.706 10.358 1.00 1.18 H new ATOM 0 HB3 SER A 97 11.590 7.349 10.435 1.00 1.18 H new ATOM 0 HG SER A 97 10.183 8.335 11.994 1.00 2.56 H new ATOM 1562 N PHE A 98 11.434 7.029 6.727 1.00 0.50 N ATOM 1563 CA PHE A 98 11.822 5.945 5.816 1.00 0.50 C ATOM 1564 C PHE A 98 12.350 4.734 6.600 1.00 0.54 C ATOM 1565 O PHE A 98 12.068 3.595 6.236 1.00 0.48 O ATOM 1566 CB PHE A 98 12.879 6.437 4.817 1.00 0.65 C ATOM 1567 CG PHE A 98 12.428 7.582 3.925 1.00 0.74 C ATOM 1568 CD1 PHE A 98 11.578 7.326 2.834 1.00 1.65 C ATOM 1569 CD2 PHE A 98 12.839 8.902 4.194 1.00 2.14 C ATOM 1570 CE1 PHE A 98 11.139 8.382 2.016 1.00 1.58 C ATOM 1571 CE2 PHE A 98 12.390 9.959 3.384 1.00 2.27 C ATOM 1572 CZ PHE A 98 11.544 9.700 2.291 1.00 0.96 C ATOM 0 H PHE A 98 11.845 7.930 6.483 1.00 0.50 H new ATOM 0 HA PHE A 98 10.936 5.633 5.262 1.00 0.50 H new ATOM 0 HB2 PHE A 98 13.763 6.753 5.371 1.00 0.65 H new ATOM 0 HB3 PHE A 98 13.180 5.600 4.186 1.00 0.65 H new ATOM 0 HD1 PHE A 98 11.261 6.315 2.624 1.00 1.65 H new ATOM 0 HD2 PHE A 98 13.500 9.102 5.024 1.00 2.14 H new ATOM 0 HE1 PHE A 98 10.490 8.181 1.176 1.00 1.58 H new ATOM 0 HE2 PHE A 98 12.695 10.972 3.601 1.00 2.27 H new ATOM 0 HZ PHE A 98 11.206 10.512 1.664 1.00 0.96 H new ATOM 1582 N ASP A 99 13.088 5.035 7.677 1.00 0.78 N ATOM 1583 CA ASP A 99 13.459 4.214 8.829 1.00 0.84 C ATOM 1584 C ASP A 99 12.981 2.766 8.723 1.00 0.66 C ATOM 1585 O ASP A 99 13.779 1.849 8.543 1.00 0.76 O ATOM 1586 CB ASP A 99 12.887 4.945 10.055 1.00 1.06 C ATOM 1587 CG ASP A 99 12.956 4.221 11.389 1.00 1.36 C ATOM 1588 OD1 ASP A 99 13.443 3.073 11.470 1.00 2.71 O ATOM 1589 OD2 ASP A 99 12.422 4.787 12.369 1.00 1.74 O ATOM 0 H ASP A 99 13.484 5.971 7.768 1.00 0.78 H new ATOM 0 HA ASP A 99 14.542 4.111 8.898 1.00 0.84 H new ATOM 0 HB2 ASP A 99 13.413 5.894 10.158 1.00 1.06 H new ATOM 0 HB3 ASP A 99 11.842 5.180 9.851 1.00 1.06 H new ATOM 1594 N ASN A 100 11.666 2.580 8.818 1.00 0.55 N ATOM 1595 CA ASN A 100 11.040 1.269 8.746 1.00 0.48 C ATOM 1596 C ASN A 100 9.759 1.370 7.937 1.00 0.48 C ATOM 1597 O ASN A 100 8.659 1.103 8.427 1.00 0.75 O ATOM 1598 CB ASN A 100 10.813 0.762 10.160 1.00 0.63 C ATOM 1599 CG ASN A 100 10.505 -0.722 10.155 1.00 0.76 C ATOM 1600 OD1 ASN A 100 11.409 -1.548 10.083 1.00 1.54 O ATOM 1601 ND2 ASN A 100 9.225 -1.070 10.222 1.00 0.61 N ATOM 0 H ASN A 100 11.003 3.344 8.948 1.00 0.55 H new ATOM 0 HA ASN A 100 11.680 0.548 8.237 1.00 0.48 H new ATOM 0 HB2 ASN A 100 11.699 0.952 10.766 1.00 0.63 H new ATOM 0 HB3 ASN A 100 9.989 1.308 10.619 1.00 0.63 H new ATOM 0 HD21 ASN A 100 8.963 -2.056 10.215 1.00 0.61 H new ATOM 0 HD22 ASN A 100 8.504 -0.351 10.281 1.00 0.61 H new ATOM 1608 N TRP A 101 9.934 1.802 6.692 1.00 0.33 N ATOM 1609 CA TRP A 101 8.879 2.068 5.742 1.00 0.33 C ATOM 1610 C TRP A 101 9.403 1.819 4.322 1.00 0.33 C ATOM 1611 O TRP A 101 10.233 2.575 3.817 1.00 0.40 O ATOM 1612 CB TRP A 101 8.435 3.513 5.974 1.00 0.40 C ATOM 1613 CG TRP A 101 7.150 3.961 5.374 1.00 0.42 C ATOM 1614 CD1 TRP A 101 6.574 3.489 4.246 1.00 0.45 C ATOM 1615 CD2 TRP A 101 6.231 4.954 5.912 1.00 0.52 C ATOM 1616 NE1 TRP A 101 5.379 4.136 4.052 1.00 0.55 N ATOM 1617 CE2 TRP A 101 5.124 5.063 5.030 1.00 0.58 C ATOM 1618 CE3 TRP A 101 6.214 5.768 7.063 1.00 0.62 C ATOM 1619 CZ2 TRP A 101 4.073 5.958 5.244 1.00 0.71 C ATOM 1620 CZ3 TRP A 101 5.130 6.626 7.322 1.00 0.73 C ATOM 1621 CH2 TRP A 101 4.092 6.772 6.388 1.00 0.77 C ATOM 0 H TRP A 101 10.862 1.982 6.308 1.00 0.33 H new ATOM 0 HA TRP A 101 8.019 1.410 5.870 1.00 0.33 H new ATOM 0 HB2 TRP A 101 8.373 3.673 7.050 1.00 0.40 H new ATOM 0 HB3 TRP A 101 9.223 4.167 5.600 1.00 0.40 H new ATOM 0 HD1 TRP A 101 6.987 2.727 3.602 1.00 0.45 H new ATOM 0 HE1 TRP A 101 4.752 3.949 3.270 1.00 0.55 H new ATOM 0 HE3 TRP A 101 7.043 5.732 7.754 1.00 0.62 H new ATOM 0 HZ2 TRP A 101 3.257 6.023 4.539 1.00 0.71 H new ATOM 0 HZ3 TRP A 101 5.096 7.178 8.249 1.00 0.73 H new ATOM 0 HH2 TRP A 101 3.315 7.504 6.548 1.00 0.77 H new ATOM 1632 N ASP A 102 8.903 0.768 3.666 1.00 0.34 N ATOM 1633 CA ASP A 102 9.392 0.316 2.368 1.00 0.40 C ATOM 1634 C ASP A 102 8.483 0.923 1.289 1.00 0.37 C ATOM 1635 O ASP A 102 7.504 0.321 0.846 1.00 0.41 O ATOM 1636 CB ASP A 102 9.410 -1.229 2.309 1.00 0.52 C ATOM 1637 CG ASP A 102 10.745 -1.886 2.663 1.00 0.70 C ATOM 1638 OD1 ASP A 102 11.756 -1.467 2.055 1.00 1.49 O ATOM 1639 OD2 ASP A 102 10.728 -2.841 3.480 1.00 2.33 O ATOM 0 H ASP A 102 8.137 0.202 4.030 1.00 0.34 H new ATOM 0 HA ASP A 102 10.417 0.646 2.201 1.00 0.40 H new ATOM 0 HB2 ASP A 102 8.646 -1.610 2.987 1.00 0.52 H new ATOM 0 HB3 ASP A 102 9.127 -1.540 1.303 1.00 0.52 H new ATOM 1644 N PHE A 103 8.812 2.136 0.837 1.00 0.41 N ATOM 1645 CA PHE A 103 8.078 2.758 -0.257 1.00 0.45 C ATOM 1646 C PHE A 103 8.515 2.102 -1.564 1.00 0.46 C ATOM 1647 O PHE A 103 9.675 2.258 -1.943 1.00 0.53 O ATOM 1648 CB PHE A 103 8.353 4.262 -0.317 1.00 0.52 C ATOM 1649 CG PHE A 103 7.465 5.100 0.574 1.00 0.47 C ATOM 1650 CD1 PHE A 103 6.170 5.431 0.136 1.00 1.87 C ATOM 1651 CD2 PHE A 103 7.928 5.569 1.817 1.00 1.87 C ATOM 1652 CE1 PHE A 103 5.344 6.244 0.929 1.00 1.98 C ATOM 1653 CE2 PHE A 103 7.112 6.405 2.595 1.00 1.80 C ATOM 1654 CZ PHE A 103 5.820 6.742 2.151 1.00 0.66 C ATOM 0 H PHE A 103 9.576 2.699 1.211 1.00 0.41 H new ATOM 0 HA PHE A 103 7.009 2.619 -0.098 1.00 0.45 H new ATOM 0 HB2 PHE A 103 9.393 4.439 -0.042 1.00 0.52 H new ATOM 0 HB3 PHE A 103 8.234 4.599 -1.347 1.00 0.52 H new ATOM 0 HD1 PHE A 103 5.810 5.059 -0.812 1.00 1.87 H new ATOM 0 HD2 PHE A 103 8.908 5.287 2.171 1.00 1.87 H new ATOM 0 HE1 PHE A 103 4.344 6.485 0.599 1.00 1.98 H new ATOM 0 HE2 PHE A 103 7.476 6.790 3.536 1.00 1.80 H new ATOM 0 HZ PHE A 103 5.194 7.385 2.752 1.00 0.66 H new ATOM 1664 N LEU A 104 7.619 1.363 -2.231 1.00 0.47 N ATOM 1665 CA LEU A 104 7.968 0.526 -3.378 1.00 0.49 C ATOM 1666 C LEU A 104 7.671 1.186 -4.719 1.00 0.51 C ATOM 1667 O LEU A 104 6.716 1.946 -4.857 1.00 0.62 O ATOM 1668 CB LEU A 104 7.311 -0.854 -3.304 1.00 0.50 C ATOM 1669 CG LEU A 104 7.586 -1.611 -1.998 1.00 0.47 C ATOM 1670 CD1 LEU A 104 7.068 -3.041 -2.142 1.00 0.49 C ATOM 1671 CD2 LEU A 104 9.073 -1.680 -1.650 1.00 0.49 C ATOM 0 H LEU A 104 6.629 1.331 -1.987 1.00 0.47 H new ATOM 0 HA LEU A 104 9.049 0.396 -3.319 1.00 0.49 H new ATOM 0 HB2 LEU A 104 6.234 -0.738 -3.424 1.00 0.50 H new ATOM 0 HB3 LEU A 104 7.662 -1.457 -4.141 1.00 0.50 H new ATOM 0 HG LEU A 104 7.080 -1.068 -1.199 1.00 0.47 H new ATOM 0 HD11 LEU A 104 7.257 -3.591 -1.220 1.00 0.49 H new ATOM 0 HD12 LEU A 104 5.996 -3.022 -2.340 1.00 0.49 H new ATOM 0 HD13 LEU A 104 7.581 -3.532 -2.969 1.00 0.49 H new ATOM 0 HD21 LEU A 104 9.203 -2.227 -0.716 1.00 0.49 H new ATOM 0 HD22 LEU A 104 9.610 -2.192 -2.449 1.00 0.49 H new ATOM 0 HD23 LEU A 104 9.467 -0.670 -1.537 1.00 0.49 H new ATOM 1683 N THR A 105 8.481 0.850 -5.724 1.00 0.44 N ATOM 1684 CA THR A 105 8.240 1.260 -7.095 1.00 0.43 C ATOM 1685 C THR A 105 7.079 0.449 -7.680 1.00 0.51 C ATOM 1686 O THR A 105 5.958 0.940 -7.762 1.00 0.73 O ATOM 1687 CB THR A 105 9.529 1.092 -7.912 1.00 0.42 C ATOM 1688 OG1 THR A 105 10.039 -0.223 -7.774 1.00 0.50 O ATOM 1689 CG2 THR A 105 10.603 2.087 -7.474 1.00 0.52 C ATOM 0 H THR A 105 9.322 0.285 -5.603 1.00 0.44 H new ATOM 0 HA THR A 105 7.957 2.312 -7.130 1.00 0.43 H new ATOM 0 HB THR A 105 9.275 1.283 -8.955 1.00 0.42 H new ATOM 0 HG1 THR A 105 10.484 -0.312 -6.905 1.00 0.50 H new ATOM 0 HG21 THR A 105 11.502 1.940 -8.073 1.00 0.52 H new ATOM 0 HG22 THR A 105 10.236 3.104 -7.614 1.00 0.52 H new ATOM 0 HG23 THR A 105 10.839 1.928 -6.422 1.00 0.52 H new ATOM 1697 N GLY A 106 7.369 -0.780 -8.111 1.00 0.54 N ATOM 1698 CA GLY A 106 6.444 -1.635 -8.850 1.00 0.74 C ATOM 1699 C GLY A 106 6.481 -1.366 -10.359 1.00 0.80 C ATOM 1700 O GLY A 106 5.712 -1.953 -11.111 1.00 1.13 O ATOM 0 H GLY A 106 8.277 -1.217 -7.951 1.00 0.54 H new ATOM 0 HA2 GLY A 106 6.691 -2.680 -8.663 1.00 0.74 H new ATOM 0 HA3 GLY A 106 5.431 -1.476 -8.480 1.00 0.74 H new ATOM 1704 N TYR A 107 7.381 -0.480 -10.807 1.00 0.70 N ATOM 1705 CA TYR A 107 7.676 -0.238 -12.208 1.00 0.75 C ATOM 1706 C TYR A 107 6.419 0.066 -13.034 1.00 0.85 C ATOM 1707 O TYR A 107 5.360 0.404 -12.507 1.00 1.18 O ATOM 1708 CB TYR A 107 8.514 -1.428 -12.723 1.00 1.00 C ATOM 1709 CG TYR A 107 9.299 -1.207 -14.002 1.00 1.37 C ATOM 1710 CD1 TYR A 107 10.288 -0.209 -14.058 1.00 2.03 C ATOM 1711 CD2 TYR A 107 9.014 -1.972 -15.150 1.00 2.84 C ATOM 1712 CE1 TYR A 107 10.955 0.058 -15.266 1.00 2.35 C ATOM 1713 CE2 TYR A 107 9.674 -1.698 -16.360 1.00 3.32 C ATOM 1714 CZ TYR A 107 10.638 -0.680 -16.420 1.00 2.49 C ATOM 1715 OH TYR A 107 11.267 -0.415 -17.599 1.00 3.09 O ATOM 0 H TYR A 107 7.935 0.101 -10.178 1.00 0.70 H new ATOM 0 HA TYR A 107 8.266 0.671 -12.322 1.00 0.75 H new ATOM 0 HB2 TYR A 107 9.215 -1.715 -11.939 1.00 1.00 H new ATOM 0 HB3 TYR A 107 7.844 -2.274 -12.877 1.00 1.00 H new ATOM 0 HD1 TYR A 107 10.536 0.354 -13.170 1.00 2.03 H new ATOM 0 HD2 TYR A 107 8.288 -2.770 -15.100 1.00 2.84 H new ATOM 0 HE1 TYR A 107 11.710 0.829 -15.308 1.00 2.35 H new ATOM 0 HE2 TYR A 107 9.439 -2.271 -17.245 1.00 3.32 H new ATOM 0 HH TYR A 107 10.929 -1.019 -18.293 1.00 3.09 H new ATOM 1725 N SER A 108 6.563 0.036 -14.354 1.00 0.90 N ATOM 1726 CA SER A 108 5.490 0.291 -15.288 1.00 1.00 C ATOM 1727 C SER A 108 4.282 -0.577 -14.959 1.00 0.79 C ATOM 1728 O SER A 108 4.443 -1.712 -14.518 1.00 0.70 O ATOM 1729 CB SER A 108 5.996 -0.043 -16.691 1.00 1.27 C ATOM 1730 OG SER A 108 7.279 0.531 -16.875 1.00 2.16 O ATOM 0 H SER A 108 7.453 -0.172 -14.808 1.00 0.90 H new ATOM 0 HA SER A 108 5.186 1.336 -15.228 1.00 1.00 H new ATOM 0 HB2 SER A 108 6.046 -1.124 -16.824 1.00 1.27 H new ATOM 0 HB3 SER A 108 5.303 0.339 -17.441 1.00 1.27 H new ATOM 0 HG SER A 108 7.967 -0.152 -16.731 1.00 2.16 H new ATOM 1736 N GLN A 109 3.088 -0.049 -15.238 1.00 0.96 N ATOM 1737 CA GLN A 109 1.815 -0.745 -15.116 1.00 0.97 C ATOM 1738 C GLN A 109 1.927 -2.212 -15.526 1.00 0.86 C ATOM 1739 O GLN A 109 1.533 -3.076 -14.757 1.00 0.88 O ATOM 1740 CB GLN A 109 0.730 0.033 -15.867 1.00 1.27 C ATOM 1741 CG GLN A 109 0.523 1.449 -15.299 1.00 1.64 C ATOM 1742 CD GLN A 109 -0.029 1.441 -13.878 1.00 2.39 C ATOM 1743 OE1 GLN A 109 -1.224 1.603 -13.659 1.00 3.30 O ATOM 1744 NE2 GLN A 109 0.833 1.248 -12.890 1.00 2.60 N ATOM 0 H GLN A 109 2.983 0.911 -15.567 1.00 0.96 H new ATOM 0 HA GLN A 109 1.517 -0.777 -14.068 1.00 0.97 H new ATOM 0 HB2 GLN A 109 1.001 0.103 -16.921 1.00 1.27 H new ATOM 0 HB3 GLN A 109 -0.210 -0.517 -15.815 1.00 1.27 H new ATOM 0 HG2 GLN A 109 1.473 1.983 -15.312 1.00 1.64 H new ATOM 0 HG3 GLN A 109 -0.160 1.999 -15.946 1.00 1.64 H new ATOM 0 HE21 GLN A 109 1.823 1.115 -13.096 1.00 2.60 H new ATOM 0 HE22 GLN A 109 0.506 1.232 -11.924 1.00 2.60 H new ATOM 1753 N SER A 110 2.567 -2.496 -16.661 1.00 0.91 N ATOM 1754 CA SER A 110 2.852 -3.841 -17.135 1.00 0.97 C ATOM 1755 C SER A 110 3.257 -4.816 -16.015 1.00 0.91 C ATOM 1756 O SER A 110 2.776 -5.945 -15.976 1.00 1.02 O ATOM 1757 CB SER A 110 3.952 -3.733 -18.200 1.00 1.19 C ATOM 1758 OG SER A 110 3.892 -2.464 -18.839 1.00 1.58 O ATOM 0 H SER A 110 2.910 -1.771 -17.291 1.00 0.91 H new ATOM 0 HA SER A 110 1.938 -4.263 -17.554 1.00 0.97 H new ATOM 0 HB2 SER A 110 4.930 -3.870 -17.739 1.00 1.19 H new ATOM 0 HB3 SER A 110 3.833 -4.526 -18.938 1.00 1.19 H new ATOM 0 HG SER A 110 4.599 -2.405 -19.515 1.00 1.58 H new ATOM 1764 N GLU A 111 4.174 -4.394 -15.136 1.00 0.87 N ATOM 1765 CA GLU A 111 4.625 -5.115 -13.972 1.00 0.89 C ATOM 1766 C GLU A 111 3.531 -5.134 -12.894 1.00 0.87 C ATOM 1767 O GLU A 111 2.951 -6.182 -12.600 1.00 1.03 O ATOM 1768 CB GLU A 111 5.918 -4.411 -13.539 1.00 0.90 C ATOM 1769 CG GLU A 111 6.796 -5.242 -12.614 1.00 1.88 C ATOM 1770 CD GLU A 111 6.663 -4.864 -11.140 1.00 3.37 C ATOM 1771 OE1 GLU A 111 5.607 -5.186 -10.557 1.00 4.78 O ATOM 1772 OE2 GLU A 111 7.636 -4.274 -10.616 1.00 3.79 O ATOM 0 H GLU A 111 4.637 -3.491 -15.236 1.00 0.87 H new ATOM 0 HA GLU A 111 4.828 -6.168 -14.168 1.00 0.89 H new ATOM 0 HB2 GLU A 111 6.491 -4.148 -14.428 1.00 0.90 H new ATOM 0 HB3 GLU A 111 5.661 -3.478 -13.038 1.00 0.90 H new ATOM 0 HG2 GLU A 111 6.541 -6.295 -12.735 1.00 1.88 H new ATOM 0 HG3 GLU A 111 7.837 -5.129 -12.917 1.00 1.88 H new ATOM 1779 N ILE A 112 3.238 -3.965 -12.314 1.00 0.80 N ATOM 1780 CA ILE A 112 2.410 -3.871 -11.115 1.00 0.89 C ATOM 1781 C ILE A 112 0.995 -4.422 -11.343 1.00 0.94 C ATOM 1782 O ILE A 112 0.469 -5.079 -10.450 1.00 1.02 O ATOM 1783 CB ILE A 112 2.446 -2.442 -10.528 1.00 0.98 C ATOM 1784 CG1 ILE A 112 1.656 -2.273 -9.216 1.00 1.30 C ATOM 1785 CG2 ILE A 112 2.033 -1.371 -11.535 1.00 0.91 C ATOM 1786 CD1 ILE A 112 2.601 -2.285 -8.014 1.00 1.12 C ATOM 0 H ILE A 112 3.568 -3.065 -12.663 1.00 0.80 H new ATOM 0 HA ILE A 112 2.839 -4.520 -10.352 1.00 0.89 H new ATOM 0 HB ILE A 112 3.498 -2.294 -10.283 1.00 0.98 H new ATOM 0 HG12 ILE A 112 1.099 -1.336 -9.238 1.00 1.30 H new ATOM 0 HG13 ILE A 112 0.925 -3.076 -9.119 1.00 1.30 H new ATOM 0 HG21 ILE A 112 2.079 -0.390 -11.062 1.00 0.91 H new ATOM 0 HG22 ILE A 112 2.710 -1.394 -12.389 1.00 0.91 H new ATOM 0 HG23 ILE A 112 1.015 -1.563 -11.874 1.00 0.91 H new ATOM 0 HD11 ILE A 112 2.025 -2.164 -7.097 1.00 1.12 H new ATOM 0 HD12 ILE A 112 3.138 -3.233 -7.983 1.00 1.12 H new ATOM 0 HD13 ILE A 112 3.315 -1.466 -8.104 1.00 1.12 H new ATOM 1798 N GLU A 113 0.376 -4.177 -12.504 1.00 0.99 N ATOM 1799 CA GLU A 113 -0.971 -4.600 -12.859 1.00 1.02 C ATOM 1800 C GLU A 113 -1.309 -6.003 -12.345 1.00 0.93 C ATOM 1801 O GLU A 113 -2.195 -6.123 -11.507 1.00 0.91 O ATOM 1802 CB GLU A 113 -1.182 -4.463 -14.377 1.00 1.17 C ATOM 1803 CG GLU A 113 -1.552 -3.016 -14.754 1.00 1.78 C ATOM 1804 CD GLU A 113 -1.625 -2.761 -16.260 1.00 2.39 C ATOM 1805 OE1 GLU A 113 -0.880 -3.433 -17.003 1.00 2.80 O ATOM 1806 OE2 GLU A 113 -2.403 -1.858 -16.645 1.00 3.45 O ATOM 0 H GLU A 113 0.828 -3.653 -13.253 1.00 0.99 H new ATOM 0 HA GLU A 113 -1.673 -3.936 -12.355 1.00 1.02 H new ATOM 0 HB2 GLU A 113 -0.274 -4.759 -14.902 1.00 1.17 H new ATOM 0 HB3 GLU A 113 -1.972 -5.140 -14.701 1.00 1.17 H new ATOM 0 HG2 GLU A 113 -2.516 -2.771 -14.308 1.00 1.78 H new ATOM 0 HG3 GLU A 113 -0.818 -2.339 -14.317 1.00 1.78 H new ATOM 1813 N GLU A 114 -0.639 -7.066 -12.806 1.00 0.96 N ATOM 1814 CA GLU A 114 -1.010 -8.426 -12.411 1.00 0.98 C ATOM 1815 C GLU A 114 -0.906 -8.605 -10.890 1.00 0.88 C ATOM 1816 O GLU A 114 -1.839 -9.083 -10.235 1.00 0.89 O ATOM 1817 CB GLU A 114 -0.196 -9.461 -13.184 1.00 1.08 C ATOM 1818 CG GLU A 114 -0.747 -10.872 -12.923 1.00 1.31 C ATOM 1819 CD GLU A 114 -0.067 -11.965 -13.740 1.00 1.34 C ATOM 1820 OE1 GLU A 114 0.910 -11.638 -14.446 1.00 1.72 O ATOM 1821 OE2 GLU A 114 -0.559 -13.112 -13.649 1.00 2.24 O ATOM 0 H GLU A 114 0.154 -7.011 -13.446 1.00 0.96 H new ATOM 0 HA GLU A 114 -2.055 -8.591 -12.674 1.00 0.98 H new ATOM 0 HB2 GLU A 114 -0.232 -9.240 -14.251 1.00 1.08 H new ATOM 0 HB3 GLU A 114 0.850 -9.410 -12.883 1.00 1.08 H new ATOM 0 HG2 GLU A 114 -0.637 -11.103 -11.864 1.00 1.31 H new ATOM 0 HG3 GLU A 114 -1.815 -10.880 -13.142 1.00 1.31 H new ATOM 1828 N PHE A 115 0.229 -8.180 -10.332 1.00 0.82 N ATOM 1829 CA PHE A 115 0.489 -8.198 -8.899 1.00 0.74 C ATOM 1830 C PHE A 115 -0.673 -7.555 -8.128 1.00 0.75 C ATOM 1831 O PHE A 115 -1.216 -8.140 -7.190 1.00 0.79 O ATOM 1832 CB PHE A 115 1.840 -7.514 -8.621 1.00 0.71 C ATOM 1833 CG PHE A 115 1.999 -6.955 -7.219 1.00 0.62 C ATOM 1834 CD1 PHE A 115 2.294 -7.798 -6.134 1.00 1.94 C ATOM 1835 CD2 PHE A 115 1.792 -5.583 -6.992 1.00 1.88 C ATOM 1836 CE1 PHE A 115 2.268 -7.297 -4.821 1.00 1.89 C ATOM 1837 CE2 PHE A 115 1.878 -5.062 -5.692 1.00 1.98 C ATOM 1838 CZ PHE A 115 2.071 -5.923 -4.599 1.00 0.75 C ATOM 0 H PHE A 115 1.006 -7.807 -10.878 1.00 0.82 H new ATOM 0 HA PHE A 115 0.557 -9.227 -8.545 1.00 0.74 H new ATOM 0 HB2 PHE A 115 2.639 -8.234 -8.802 1.00 0.71 H new ATOM 0 HB3 PHE A 115 1.974 -6.703 -9.337 1.00 0.71 H new ATOM 0 HD1 PHE A 115 2.542 -8.834 -6.310 1.00 1.94 H new ATOM 0 HD2 PHE A 115 1.566 -4.928 -7.821 1.00 1.88 H new ATOM 0 HE1 PHE A 115 2.399 -7.967 -3.984 1.00 1.89 H new ATOM 0 HE2 PHE A 115 1.796 -3.997 -5.531 1.00 1.98 H new ATOM 0 HZ PHE A 115 2.068 -5.531 -3.593 1.00 0.75 H new ATOM 1848 N ALA A 116 -1.049 -6.338 -8.513 1.00 0.78 N ATOM 1849 CA ALA A 116 -2.099 -5.567 -7.876 1.00 0.83 C ATOM 1850 C ALA A 116 -3.497 -6.108 -8.189 1.00 0.83 C ATOM 1851 O ALA A 116 -4.415 -5.937 -7.383 1.00 0.85 O ATOM 1852 CB ALA A 116 -1.937 -4.105 -8.260 1.00 0.97 C ATOM 0 H ALA A 116 -0.616 -5.853 -9.299 1.00 0.78 H new ATOM 0 HA ALA A 116 -2.000 -5.660 -6.794 1.00 0.83 H new ATOM 0 HB1 ALA A 116 -2.722 -3.515 -7.786 1.00 0.97 H new ATOM 0 HB2 ALA A 116 -0.963 -3.747 -7.927 1.00 0.97 H new ATOM 0 HB3 ALA A 116 -2.010 -4.003 -9.343 1.00 0.97 H new ATOM 1858 N LEU A 117 -3.670 -6.776 -9.331 1.00 0.88 N ATOM 1859 CA LEU A 117 -4.886 -7.499 -9.669 1.00 0.96 C ATOM 1860 C LEU A 117 -5.105 -8.578 -8.615 1.00 1.00 C ATOM 1861 O LEU A 117 -6.129 -8.584 -7.936 1.00 1.05 O ATOM 1862 CB LEU A 117 -4.796 -8.113 -11.081 1.00 1.07 C ATOM 1863 CG LEU A 117 -5.799 -7.553 -12.102 1.00 1.04 C ATOM 1864 CD1 LEU A 117 -7.245 -7.885 -11.717 1.00 1.33 C ATOM 1865 CD2 LEU A 117 -5.622 -6.047 -12.336 1.00 1.27 C ATOM 0 H LEU A 117 -2.954 -6.827 -10.056 1.00 0.88 H new ATOM 0 HA LEU A 117 -5.732 -6.812 -9.678 1.00 0.96 H new ATOM 0 HB2 LEU A 117 -3.787 -7.958 -11.464 1.00 1.07 H new ATOM 0 HB3 LEU A 117 -4.945 -9.190 -11.002 1.00 1.07 H new ATOM 0 HG LEU A 117 -5.582 -8.049 -13.048 1.00 1.04 H new ATOM 0 HD11 LEU A 117 -7.924 -7.472 -12.463 1.00 1.33 H new ATOM 0 HD12 LEU A 117 -7.370 -8.967 -11.671 1.00 1.33 H new ATOM 0 HD13 LEU A 117 -7.470 -7.452 -10.742 1.00 1.33 H new ATOM 0 HD21 LEU A 117 -6.355 -5.703 -13.066 1.00 1.27 H new ATOM 0 HD22 LEU A 117 -5.767 -5.513 -11.397 1.00 1.27 H new ATOM 0 HD23 LEU A 117 -4.618 -5.853 -12.712 1.00 1.27 H new ATOM 1877 N LYS A 118 -4.120 -9.467 -8.464 1.00 1.03 N ATOM 1878 CA LYS A 118 -4.123 -10.506 -7.448 1.00 1.16 C ATOM 1879 C LYS A 118 -4.361 -9.888 -6.067 1.00 1.11 C ATOM 1880 O LYS A 118 -5.367 -10.171 -5.420 1.00 1.24 O ATOM 1881 CB LYS A 118 -2.774 -11.226 -7.503 1.00 1.25 C ATOM 1882 CG LYS A 118 -2.625 -12.149 -8.722 1.00 1.37 C ATOM 1883 CD LYS A 118 -3.064 -13.578 -8.370 1.00 2.38 C ATOM 1884 CE LYS A 118 -2.784 -14.584 -9.498 1.00 2.73 C ATOM 1885 NZ LYS A 118 -1.338 -14.791 -9.728 1.00 3.19 N ATOM 0 H LYS A 118 -3.289 -9.480 -9.056 1.00 1.03 H new ATOM 0 HA LYS A 118 -4.926 -11.220 -7.632 1.00 1.16 H new ATOM 0 HB2 LYS A 118 -1.975 -10.485 -7.518 1.00 1.25 H new ATOM 0 HB3 LYS A 118 -2.647 -11.814 -6.594 1.00 1.25 H new ATOM 0 HG2 LYS A 118 -3.227 -11.770 -9.548 1.00 1.37 H new ATOM 0 HG3 LYS A 118 -1.588 -12.153 -9.058 1.00 1.37 H new ATOM 0 HD2 LYS A 118 -2.546 -13.900 -7.466 1.00 2.38 H new ATOM 0 HD3 LYS A 118 -4.130 -13.580 -8.144 1.00 2.38 H new ATOM 0 HE2 LYS A 118 -3.250 -15.539 -9.253 1.00 2.73 H new ATOM 0 HE3 LYS A 118 -3.248 -14.230 -10.419 1.00 2.73 H new ATOM 0 HZ1 LYS A 118 -1.201 -15.595 -10.374 1.00 3.19 H new ATOM 0 HZ2 LYS A 118 -0.927 -13.934 -10.150 1.00 3.19 H new ATOM 0 HZ3 LYS A 118 -0.867 -14.990 -8.822 1.00 3.19 H new ATOM 1899 N SER A 119 -3.432 -9.035 -5.629 1.00 0.99 N ATOM 1900 CA SER A 119 -3.473 -8.429 -4.309 1.00 1.01 C ATOM 1901 C SER A 119 -4.782 -7.692 -4.013 1.00 1.03 C ATOM 1902 O SER A 119 -5.432 -7.984 -3.011 1.00 1.15 O ATOM 1903 CB SER A 119 -2.270 -7.493 -4.151 1.00 0.94 C ATOM 1904 OG SER A 119 -1.076 -8.188 -4.470 1.00 1.40 O ATOM 0 H SER A 119 -2.629 -8.748 -6.188 1.00 0.99 H new ATOM 0 HA SER A 119 -3.423 -9.236 -3.578 1.00 1.01 H new ATOM 0 HB2 SER A 119 -2.383 -6.627 -4.803 1.00 0.94 H new ATOM 0 HB3 SER A 119 -2.221 -7.118 -3.129 1.00 0.94 H new ATOM 0 HG SER A 119 -0.920 -8.144 -5.436 1.00 1.40 H new ATOM 1910 N PHE A 120 -5.125 -6.687 -4.825 1.00 0.98 N ATOM 1911 CA PHE A 120 -6.114 -5.672 -4.470 1.00 1.08 C ATOM 1912 C PHE A 120 -7.234 -5.504 -5.501 1.00 1.18 C ATOM 1913 O PHE A 120 -8.246 -4.910 -5.143 1.00 1.75 O ATOM 1914 CB PHE A 120 -5.418 -4.326 -4.212 1.00 1.04 C ATOM 1915 CG PHE A 120 -4.342 -4.300 -3.135 1.00 1.05 C ATOM 1916 CD1 PHE A 120 -4.431 -5.111 -1.983 1.00 1.80 C ATOM 1917 CD2 PHE A 120 -3.301 -3.356 -3.227 1.00 1.86 C ATOM 1918 CE1 PHE A 120 -3.421 -5.070 -1.009 1.00 1.79 C ATOM 1919 CE2 PHE A 120 -2.337 -3.264 -2.209 1.00 2.01 C ATOM 1920 CZ PHE A 120 -2.377 -4.140 -1.114 1.00 1.29 C ATOM 0 H PHE A 120 -4.720 -6.557 -5.752 1.00 0.98 H new ATOM 0 HA PHE A 120 -6.599 -6.025 -3.560 1.00 1.08 H new ATOM 0 HB2 PHE A 120 -4.969 -3.992 -5.147 1.00 1.04 H new ATOM 0 HB3 PHE A 120 -6.182 -3.595 -3.946 1.00 1.04 H new ATOM 0 HD1 PHE A 120 -5.280 -5.766 -1.850 1.00 1.80 H new ATOM 0 HD2 PHE A 120 -3.243 -2.700 -4.083 1.00 1.86 H new ATOM 0 HE1 PHE A 120 -3.448 -5.757 -0.176 1.00 1.79 H new ATOM 0 HE2 PHE A 120 -1.561 -2.515 -2.270 1.00 2.01 H new ATOM 0 HZ PHE A 120 -1.608 -4.098 -0.357 1.00 1.29 H new ATOM 1930 N LYS A 121 -7.094 -6.047 -6.716 1.00 1.20 N ATOM 1931 CA LYS A 121 -7.921 -5.869 -7.918 1.00 1.61 C ATOM 1932 C LYS A 121 -7.585 -4.627 -8.751 1.00 1.92 C ATOM 1933 O LYS A 121 -8.360 -4.255 -9.628 1.00 2.86 O ATOM 1934 CB LYS A 121 -9.445 -6.105 -7.716 1.00 1.81 C ATOM 1935 CG LYS A 121 -10.363 -5.062 -7.023 1.00 1.84 C ATOM 1936 CD LYS A 121 -10.039 -3.593 -7.332 1.00 2.05 C ATOM 1937 CE LYS A 121 -10.786 -2.570 -6.472 1.00 2.10 C ATOM 1938 NZ LYS A 121 -10.625 -1.206 -7.025 1.00 2.96 N ATOM 0 H LYS A 121 -6.321 -6.686 -6.902 1.00 1.20 H new ATOM 0 HA LYS A 121 -7.613 -6.705 -8.546 1.00 1.61 H new ATOM 0 HB2 LYS A 121 -9.867 -6.285 -8.705 1.00 1.81 H new ATOM 0 HB3 LYS A 121 -9.546 -7.033 -7.153 1.00 1.81 H new ATOM 0 HG2 LYS A 121 -11.394 -5.259 -7.316 1.00 1.84 H new ATOM 0 HG3 LYS A 121 -10.304 -5.211 -5.945 1.00 1.84 H new ATOM 0 HD2 LYS A 121 -8.968 -3.439 -7.205 1.00 2.05 H new ATOM 0 HD3 LYS A 121 -10.267 -3.399 -8.380 1.00 2.05 H new ATOM 0 HE2 LYS A 121 -11.844 -2.828 -6.428 1.00 2.10 H new ATOM 0 HE3 LYS A 121 -10.408 -2.601 -5.450 1.00 2.10 H new ATOM 0 HZ1 LYS A 121 -11.139 -0.527 -6.428 1.00 2.96 H new ATOM 0 HZ2 LYS A 121 -9.616 -0.956 -7.044 1.00 2.96 H new ATOM 0 HZ3 LYS A 121 -11.008 -1.176 -7.992 1.00 2.96 H new ATOM 1952 N ALA A 122 -6.468 -3.966 -8.450 1.00 1.52 N ATOM 1953 CA ALA A 122 -6.280 -2.547 -8.744 1.00 1.77 C ATOM 1954 C ALA A 122 -5.011 -2.265 -9.555 1.00 1.53 C ATOM 1955 O ALA A 122 -4.225 -3.173 -9.804 1.00 2.30 O ATOM 1956 CB ALA A 122 -6.278 -1.790 -7.407 1.00 2.06 C ATOM 0 H ALA A 122 -5.666 -4.401 -7.994 1.00 1.52 H new ATOM 0 HA ALA A 122 -7.098 -2.203 -9.377 1.00 1.77 H new ATOM 0 HB1 ALA A 122 -6.139 -0.725 -7.592 1.00 2.06 H new ATOM 0 HB2 ALA A 122 -7.228 -1.949 -6.897 1.00 2.06 H new ATOM 0 HB3 ALA A 122 -5.465 -2.158 -6.781 1.00 2.06 H new ATOM 1962 N ILE A 123 -4.829 -0.988 -9.908 1.00 1.36 N ATOM 1963 CA ILE A 123 -3.755 -0.375 -10.692 1.00 1.38 C ATOM 1964 C ILE A 123 -3.800 -0.854 -12.147 1.00 1.28 C ATOM 1965 O ILE A 123 -4.006 -2.036 -12.408 1.00 2.80 O ATOM 1966 CB ILE A 123 -2.377 -0.478 -10.008 1.00 3.03 C ATOM 1967 CG1 ILE A 123 -2.391 0.238 -8.642 1.00 4.77 C ATOM 1968 CG2 ILE A 123 -1.312 0.200 -10.870 1.00 4.04 C ATOM 1969 CD1 ILE A 123 -2.673 -0.720 -7.490 1.00 6.31 C ATOM 0 H ILE A 123 -5.506 -0.283 -9.618 1.00 1.36 H new ATOM 0 HA ILE A 123 -3.931 0.700 -10.732 1.00 1.38 H new ATOM 0 HB ILE A 123 -2.153 -1.537 -9.876 1.00 3.03 H new ATOM 0 HG12 ILE A 123 -1.429 0.725 -8.480 1.00 4.77 H new ATOM 0 HG13 ILE A 123 -3.148 1.022 -8.653 1.00 4.77 H new ATOM 0 HG21 ILE A 123 -0.342 0.122 -10.378 1.00 4.04 H new ATOM 0 HG22 ILE A 123 -1.266 -0.289 -11.843 1.00 4.04 H new ATOM 0 HG23 ILE A 123 -1.567 1.251 -11.004 1.00 4.04 H new ATOM 0 HD11 ILE A 123 -2.672 -0.169 -6.550 1.00 6.31 H new ATOM 0 HD12 ILE A 123 -3.647 -1.188 -7.636 1.00 6.31 H new ATOM 0 HD13 ILE A 123 -1.902 -1.490 -7.460 1.00 6.31 H new ATOM 2201 N SER A 138 -6.765 3.701 0.880 1.00 1.25 N ATOM 2202 CA SER A 138 -7.054 3.104 2.172 1.00 1.02 C ATOM 2203 C SER A 138 -5.938 2.147 2.609 1.00 0.86 C ATOM 2204 O SER A 138 -5.019 1.843 1.849 1.00 0.99 O ATOM 2205 CB SER A 138 -8.397 2.380 2.075 1.00 1.36 C ATOM 2206 OG SER A 138 -9.369 3.254 1.527 1.00 1.76 O ATOM 0 HA SER A 138 -7.109 3.884 2.931 1.00 1.02 H new ATOM 0 HB2 SER A 138 -8.299 1.492 1.451 1.00 1.36 H new ATOM 0 HB3 SER A 138 -8.712 2.043 3.062 1.00 1.36 H new ATOM 0 HG SER A 138 -10.114 2.730 1.166 1.00 1.76 H new ATOM 2212 N PHE A 139 -6.015 1.696 3.860 1.00 0.73 N ATOM 2213 CA PHE A 139 -4.984 0.906 4.516 1.00 0.63 C ATOM 2214 C PHE A 139 -5.195 -0.582 4.231 1.00 0.51 C ATOM 2215 O PHE A 139 -6.333 -1.024 4.086 1.00 0.51 O ATOM 2216 CB PHE A 139 -5.079 1.119 6.030 1.00 0.74 C ATOM 2217 CG PHE A 139 -3.805 1.615 6.672 1.00 0.58 C ATOM 2218 CD1 PHE A 139 -2.666 0.788 6.709 1.00 1.86 C ATOM 2219 CD2 PHE A 139 -3.744 2.920 7.195 1.00 1.64 C ATOM 2220 CE1 PHE A 139 -1.466 1.275 7.249 1.00 2.17 C ATOM 2221 CE2 PHE A 139 -2.557 3.380 7.787 1.00 1.54 C ATOM 2222 CZ PHE A 139 -1.423 2.555 7.819 1.00 1.14 C ATOM 0 H PHE A 139 -6.821 1.877 4.459 1.00 0.73 H new ATOM 0 HA PHE A 139 -4.010 1.218 4.139 1.00 0.63 H new ATOM 0 HB2 PHE A 139 -5.876 1.833 6.235 1.00 0.74 H new ATOM 0 HB3 PHE A 139 -5.366 0.178 6.500 1.00 0.74 H new ATOM 0 HD1 PHE A 139 -2.716 -0.219 6.322 1.00 1.86 H new ATOM 0 HD2 PHE A 139 -4.608 3.566 7.141 1.00 1.64 H new ATOM 0 HE1 PHE A 139 -0.576 0.664 7.226 1.00 2.17 H new ATOM 0 HE2 PHE A 139 -2.517 4.369 8.218 1.00 1.54 H new ATOM 0 HZ PHE A 139 -0.514 2.907 8.284 1.00 1.14 H new ATOM 2232 N TYR A 140 -4.103 -1.349 4.238 1.00 0.53 N ATOM 2233 CA TYR A 140 -4.091 -2.804 4.106 1.00 0.55 C ATOM 2234 C TYR A 140 -3.170 -3.414 5.177 1.00 0.65 C ATOM 2235 O TYR A 140 -2.141 -2.826 5.505 1.00 1.17 O ATOM 2236 CB TYR A 140 -3.660 -3.179 2.677 1.00 0.64 C ATOM 2237 CG TYR A 140 -4.741 -2.941 1.640 1.00 0.71 C ATOM 2238 CD1 TYR A 140 -5.066 -1.631 1.236 1.00 2.17 C ATOM 2239 CD2 TYR A 140 -5.586 -4.002 1.276 1.00 1.76 C ATOM 2240 CE1 TYR A 140 -6.344 -1.361 0.712 1.00 2.37 C ATOM 2241 CE2 TYR A 140 -6.818 -3.741 0.661 1.00 1.98 C ATOM 2242 CZ TYR A 140 -7.253 -2.415 0.523 1.00 1.53 C ATOM 2243 OH TYR A 140 -8.578 -2.154 0.351 1.00 2.23 O ATOM 0 H TYR A 140 -3.167 -0.956 4.340 1.00 0.53 H new ATOM 0 HA TYR A 140 -5.089 -3.212 4.269 1.00 0.55 H new ATOM 0 HB2 TYR A 140 -2.776 -2.601 2.409 1.00 0.64 H new ATOM 0 HB3 TYR A 140 -3.372 -4.230 2.656 1.00 0.64 H new ATOM 0 HD1 TYR A 140 -4.338 -0.838 1.328 1.00 2.17 H new ATOM 0 HD2 TYR A 140 -5.286 -5.021 1.470 1.00 1.76 H new ATOM 0 HE1 TYR A 140 -6.624 -0.350 0.457 1.00 2.37 H new ATOM 0 HE2 TYR A 140 -7.427 -4.555 0.296 1.00 1.98 H new ATOM 0 HH TYR A 140 -9.079 -2.476 1.130 1.00 2.23 H new ATOM 2253 N LEU A 141 -3.528 -4.579 5.735 1.00 0.41 N ATOM 2254 CA LEU A 141 -2.693 -5.369 6.643 1.00 0.38 C ATOM 2255 C LEU A 141 -2.491 -6.749 6.036 1.00 0.36 C ATOM 2256 O LEU A 141 -3.404 -7.578 6.011 1.00 0.37 O ATOM 2257 CB LEU A 141 -3.321 -5.429 8.042 1.00 0.40 C ATOM 2258 CG LEU A 141 -2.544 -6.306 9.051 1.00 0.37 C ATOM 2259 CD1 LEU A 141 -2.684 -5.686 10.445 1.00 0.70 C ATOM 2260 CD2 LEU A 141 -3.087 -7.745 9.119 1.00 0.62 C ATOM 0 H LEU A 141 -4.436 -5.009 5.559 1.00 0.41 H new ATOM 0 HA LEU A 141 -1.717 -4.900 6.767 1.00 0.38 H new ATOM 0 HB2 LEU A 141 -3.393 -4.416 8.439 1.00 0.40 H new ATOM 0 HB3 LEU A 141 -4.338 -5.811 7.955 1.00 0.40 H new ATOM 0 HG LEU A 141 -1.506 -6.347 8.720 1.00 0.37 H new ATOM 0 HD11 LEU A 141 -2.141 -6.293 11.169 1.00 0.70 H new ATOM 0 HD12 LEU A 141 -2.273 -4.676 10.437 1.00 0.70 H new ATOM 0 HD13 LEU A 141 -3.738 -5.647 10.722 1.00 0.70 H new ATOM 0 HD21 LEU A 141 -2.507 -8.319 9.842 1.00 0.62 H new ATOM 0 HD22 LEU A 141 -4.133 -7.725 9.426 1.00 0.62 H new ATOM 0 HD23 LEU A 141 -3.006 -8.211 8.137 1.00 0.62 H new ATOM 2272 N VAL A 142 -1.279 -6.978 5.529 1.00 0.36 N ATOM 2273 CA VAL A 142 -0.912 -8.172 4.801 1.00 0.37 C ATOM 2274 C VAL A 142 -0.250 -9.132 5.783 1.00 0.50 C ATOM 2275 O VAL A 142 0.774 -8.826 6.393 1.00 0.67 O ATOM 2276 CB VAL A 142 -0.001 -7.819 3.624 1.00 0.45 C ATOM 2277 CG1 VAL A 142 0.109 -9.038 2.697 1.00 0.51 C ATOM 2278 CG2 VAL A 142 -0.512 -6.610 2.832 1.00 0.50 C ATOM 0 H VAL A 142 -0.511 -6.313 5.621 1.00 0.36 H new ATOM 0 HA VAL A 142 -1.790 -8.655 4.373 1.00 0.37 H new ATOM 0 HB VAL A 142 0.977 -7.550 4.024 1.00 0.45 H new ATOM 0 HG11 VAL A 142 0.757 -8.797 1.854 1.00 0.51 H new ATOM 0 HG12 VAL A 142 0.530 -9.878 3.249 1.00 0.51 H new ATOM 0 HG13 VAL A 142 -0.881 -9.306 2.329 1.00 0.51 H new ATOM 0 HG21 VAL A 142 0.170 -6.401 2.008 1.00 0.50 H new ATOM 0 HG22 VAL A 142 -1.504 -6.827 2.436 1.00 0.50 H new ATOM 0 HG23 VAL A 142 -0.565 -5.741 3.488 1.00 0.50 H new ATOM 2288 N GLY A 143 -0.884 -10.281 5.985 1.00 0.53 N ATOM 2289 CA GLY A 143 -0.496 -11.223 7.004 1.00 0.68 C ATOM 2290 C GLY A 143 0.598 -12.186 6.552 1.00 0.45 C ATOM 2291 O GLY A 143 1.152 -12.076 5.454 1.00 0.51 O ATOM 0 H GLY A 143 -1.690 -10.579 5.435 1.00 0.53 H new ATOM 0 HA2 GLY A 143 -0.149 -10.676 7.881 1.00 0.68 H new ATOM 0 HA3 GLY A 143 -1.371 -11.796 7.311 1.00 0.68 H new ATOM 2295 N PRO A 144 0.871 -13.172 7.412 1.00 0.46 N ATOM 2296 CA PRO A 144 2.045 -14.009 7.357 1.00 0.56 C ATOM 2297 C PRO A 144 2.002 -14.899 6.120 1.00 0.69 C ATOM 2298 O PRO A 144 3.041 -15.161 5.524 1.00 1.05 O ATOM 2299 CB PRO A 144 2.038 -14.797 8.668 1.00 0.69 C ATOM 2300 CG PRO A 144 0.557 -14.896 9.026 1.00 0.73 C ATOM 2301 CD PRO A 144 -0.019 -13.590 8.475 1.00 0.61 C ATOM 0 HA PRO A 144 2.971 -13.441 7.265 1.00 0.56 H new ATOM 0 HB2 PRO A 144 2.486 -15.783 8.545 1.00 0.69 H new ATOM 0 HB3 PRO A 144 2.604 -14.284 9.446 1.00 0.69 H new ATOM 0 HG2 PRO A 144 0.089 -15.768 8.569 1.00 0.73 H new ATOM 0 HG3 PRO A 144 0.407 -14.981 10.102 1.00 0.73 H new ATOM 0 HD2 PRO A 144 -1.031 -13.739 8.099 1.00 0.61 H new ATOM 0 HD3 PRO A 144 -0.077 -12.831 9.255 1.00 0.61 H new ATOM 2309 N ASP A 145 0.805 -15.326 5.706 1.00 0.85 N ATOM 2310 CA ASP A 145 0.564 -16.124 4.514 1.00 0.97 C ATOM 2311 C ASP A 145 0.896 -15.345 3.232 1.00 0.77 C ATOM 2312 O ASP A 145 0.955 -15.942 2.157 1.00 1.20 O ATOM 2313 CB ASP A 145 -0.914 -16.572 4.421 1.00 1.40 C ATOM 2314 CG ASP A 145 -1.685 -16.771 5.724 1.00 2.37 C ATOM 2315 OD1 ASP A 145 -1.598 -15.869 6.587 1.00 3.33 O ATOM 2316 OD2 ASP A 145 -2.481 -17.738 5.788 1.00 3.00 O ATOM 0 H ASP A 145 -0.052 -15.113 6.217 1.00 0.85 H new ATOM 0 HA ASP A 145 1.215 -16.994 4.599 1.00 0.97 H new ATOM 0 HB2 ASP A 145 -1.450 -15.833 3.825 1.00 1.40 H new ATOM 0 HB3 ASP A 145 -0.944 -17.511 3.868 1.00 1.40 H new ATOM 2321 N GLY A 146 1.030 -14.016 3.295 1.00 0.63 N ATOM 2322 CA GLY A 146 0.893 -13.176 2.117 1.00 0.69 C ATOM 2323 C GLY A 146 -0.568 -13.144 1.657 1.00 0.71 C ATOM 2324 O GLY A 146 -0.853 -13.195 0.465 1.00 1.42 O ATOM 0 H GLY A 146 1.233 -13.505 4.154 1.00 0.63 H new ATOM 0 HA2 GLY A 146 1.234 -12.165 2.341 1.00 0.69 H new ATOM 0 HA3 GLY A 146 1.526 -13.556 1.315 1.00 0.69 H new ATOM 2328 N LYS A 147 -1.503 -13.046 2.605 1.00 0.61 N ATOM 2329 CA LYS A 147 -2.902 -12.767 2.367 1.00 0.62 C ATOM 2330 C LYS A 147 -3.270 -11.561 3.206 1.00 0.57 C ATOM 2331 O LYS A 147 -2.770 -11.431 4.322 1.00 0.72 O ATOM 2332 CB LYS A 147 -3.742 -13.982 2.700 1.00 0.69 C ATOM 2333 CG LYS A 147 -3.870 -14.211 4.199 1.00 0.87 C ATOM 2334 CD LYS A 147 -4.467 -15.593 4.417 1.00 1.07 C ATOM 2335 CE LYS A 147 -4.823 -15.793 5.891 1.00 1.87 C ATOM 2336 NZ LYS A 147 -5.028 -17.223 6.168 1.00 2.20 N ATOM 0 H LYS A 147 -1.287 -13.165 3.595 1.00 0.61 H new ATOM 0 HA LYS A 147 -3.092 -12.544 1.317 1.00 0.62 H new ATOM 0 HB2 LYS A 147 -4.736 -13.862 2.268 1.00 0.69 H new ATOM 0 HB3 LYS A 147 -3.298 -14.864 2.238 1.00 0.69 H new ATOM 0 HG2 LYS A 147 -2.895 -14.138 4.680 1.00 0.87 H new ATOM 0 HG3 LYS A 147 -4.505 -13.447 4.648 1.00 0.87 H new ATOM 0 HD2 LYS A 147 -5.359 -15.712 3.801 1.00 1.07 H new ATOM 0 HD3 LYS A 147 -3.757 -16.357 4.101 1.00 1.07 H new ATOM 0 HE2 LYS A 147 -4.025 -15.402 6.523 1.00 1.87 H new ATOM 0 HE3 LYS A 147 -5.726 -15.233 6.135 1.00 1.87 H new ATOM 0 HZ1 LYS A 147 -5.118 -17.368 7.194 1.00 2.20 H new ATOM 0 HZ2 LYS A 147 -5.895 -17.547 5.695 1.00 2.20 H new ATOM 0 HZ3 LYS A 147 -4.215 -17.766 5.812 1.00 2.20 H new ATOM 2350 N VAL A 148 -4.144 -10.695 2.708 1.00 0.47 N ATOM 2351 CA VAL A 148 -4.674 -9.639 3.545 1.00 0.44 C ATOM 2352 C VAL A 148 -5.754 -10.246 4.433 1.00 0.47 C ATOM 2353 O VAL A 148 -6.624 -10.955 3.924 1.00 0.52 O ATOM 2354 CB VAL A 148 -5.211 -8.479 2.704 1.00 0.56 C ATOM 2355 CG1 VAL A 148 -5.376 -7.258 3.604 1.00 1.01 C ATOM 2356 CG2 VAL A 148 -4.262 -8.123 1.559 1.00 1.05 C ATOM 0 H VAL A 148 -4.492 -10.705 1.749 1.00 0.47 H new ATOM 0 HA VAL A 148 -3.884 -9.218 4.166 1.00 0.44 H new ATOM 0 HB VAL A 148 -6.165 -8.783 2.272 1.00 0.56 H new ATOM 0 HG11 VAL A 148 -5.758 -6.423 3.017 1.00 1.01 H new ATOM 0 HG12 VAL A 148 -6.077 -7.489 4.406 1.00 1.01 H new ATOM 0 HG13 VAL A 148 -4.411 -6.989 4.032 1.00 1.01 H new ATOM 0 HG21 VAL A 148 -4.679 -7.295 0.985 1.00 1.05 H new ATOM 0 HG22 VAL A 148 -3.294 -7.831 1.966 1.00 1.05 H new ATOM 0 HG23 VAL A 148 -4.136 -8.988 0.908 1.00 1.05 H new ATOM 2366 N LEU A 149 -5.664 -9.990 5.744 1.00 0.51 N ATOM 2367 CA LEU A 149 -6.645 -10.392 6.743 1.00 0.50 C ATOM 2368 C LEU A 149 -7.474 -9.217 7.248 1.00 0.50 C ATOM 2369 O LEU A 149 -8.563 -9.440 7.773 1.00 0.56 O ATOM 2370 CB LEU A 149 -5.942 -11.023 7.933 1.00 0.55 C ATOM 2371 CG LEU A 149 -5.334 -12.367 7.528 1.00 0.59 C ATOM 2372 CD1 LEU A 149 -3.818 -12.251 7.447 1.00 1.17 C ATOM 2373 CD2 LEU A 149 -5.739 -13.388 8.575 1.00 0.94 C ATOM 0 H LEU A 149 -4.877 -9.480 6.145 1.00 0.51 H new ATOM 0 HA LEU A 149 -7.313 -11.105 6.259 1.00 0.50 H new ATOM 0 HB2 LEU A 149 -5.161 -10.357 8.300 1.00 0.55 H new ATOM 0 HB3 LEU A 149 -6.649 -11.166 8.750 1.00 0.55 H new ATOM 0 HG LEU A 149 -5.695 -12.674 6.546 1.00 0.59 H new ATOM 0 HD11 LEU A 149 -3.394 -13.213 7.158 1.00 1.17 H new ATOM 0 HD12 LEU A 149 -3.550 -11.499 6.705 1.00 1.17 H new ATOM 0 HD13 LEU A 149 -3.423 -11.958 8.420 1.00 1.17 H new ATOM 0 HD21 LEU A 149 -5.321 -14.361 8.316 1.00 0.94 H new ATOM 0 HD22 LEU A 149 -5.362 -13.079 9.550 1.00 0.94 H new ATOM 0 HD23 LEU A 149 -6.826 -13.459 8.613 1.00 0.94 H new ATOM 2385 N LYS A 150 -6.955 -7.995 7.123 1.00 0.48 N ATOM 2386 CA LYS A 150 -7.679 -6.778 7.430 1.00 0.49 C ATOM 2387 C LYS A 150 -7.240 -5.655 6.493 1.00 0.53 C ATOM 2388 O LYS A 150 -6.086 -5.612 6.063 1.00 0.62 O ATOM 2389 CB LYS A 150 -7.427 -6.369 8.879 1.00 0.57 C ATOM 2390 CG LYS A 150 -8.383 -7.067 9.857 1.00 0.66 C ATOM 2391 CD LYS A 150 -8.356 -6.373 11.223 1.00 1.30 C ATOM 2392 CE LYS A 150 -7.062 -6.680 11.991 1.00 3.04 C ATOM 2393 NZ LYS A 150 -6.842 -5.724 13.091 1.00 4.39 N ATOM 0 H LYS A 150 -6.002 -7.829 6.799 1.00 0.48 H new ATOM 0 HA LYS A 150 -8.745 -6.961 7.292 1.00 0.49 H new ATOM 0 HB2 LYS A 150 -6.398 -6.608 9.148 1.00 0.57 H new ATOM 0 HB3 LYS A 150 -7.539 -5.289 8.974 1.00 0.57 H new ATOM 0 HG2 LYS A 150 -9.396 -7.054 9.456 1.00 0.66 H new ATOM 0 HG3 LYS A 150 -8.098 -8.113 9.969 1.00 0.66 H new ATOM 0 HD2 LYS A 150 -8.451 -5.296 11.086 1.00 1.30 H new ATOM 0 HD3 LYS A 150 -9.214 -6.696 11.812 1.00 1.30 H new ATOM 0 HE2 LYS A 150 -7.108 -7.692 12.392 1.00 3.04 H new ATOM 0 HE3 LYS A 150 -6.215 -6.647 11.305 1.00 3.04 H new ATOM 0 HZ1 LYS A 150 -6.396 -6.214 13.893 1.00 4.39 H new ATOM 0 HZ2 LYS A 150 -6.220 -4.957 12.765 1.00 4.39 H new ATOM 0 HZ3 LYS A 150 -7.754 -5.326 13.392 1.00 4.39 H new ATOM 2407 N ASP A 151 -8.167 -4.736 6.260 1.00 0.60 N ATOM 2408 CA ASP A 151 -7.977 -3.441 5.633 1.00 0.69 C ATOM 2409 C ASP A 151 -8.122 -2.414 6.762 1.00 1.19 C ATOM 2410 O ASP A 151 -8.183 -2.797 7.928 1.00 2.00 O ATOM 2411 CB ASP A 151 -8.981 -3.224 4.487 1.00 0.84 C ATOM 2412 CG ASP A 151 -8.769 -4.106 3.259 1.00 1.05 C ATOM 2413 OD1 ASP A 151 -7.981 -5.072 3.335 1.00 2.11 O ATOM 2414 OD2 ASP A 151 -9.390 -3.783 2.222 1.00 2.23 O ATOM 0 H ASP A 151 -9.140 -4.890 6.524 1.00 0.60 H new ATOM 0 HA ASP A 151 -6.999 -3.350 5.161 1.00 0.69 H new ATOM 0 HB2 ASP A 151 -9.987 -3.397 4.869 1.00 0.84 H new ATOM 0 HB3 ASP A 151 -8.933 -2.180 4.177 1.00 0.84 H new ATOM 2419 N TYR A 152 -8.067 -1.120 6.453 1.00 0.89 N ATOM 2420 CA TYR A 152 -8.622 -0.079 7.311 1.00 0.97 C ATOM 2421 C TYR A 152 -8.904 1.116 6.408 1.00 0.81 C ATOM 2422 O TYR A 152 -8.326 1.235 5.330 1.00 0.80 O ATOM 2423 CB TYR A 152 -7.716 0.381 8.476 1.00 1.20 C ATOM 2424 CG TYR A 152 -7.144 -0.669 9.412 1.00 2.15 C ATOM 2425 CD1 TYR A 152 -7.964 -1.267 10.389 1.00 2.63 C ATOM 2426 CD2 TYR A 152 -5.791 -1.047 9.313 1.00 3.89 C ATOM 2427 CE1 TYR A 152 -7.447 -2.276 11.222 1.00 4.12 C ATOM 2428 CE2 TYR A 152 -5.276 -2.055 10.145 1.00 5.31 C ATOM 2429 CZ TYR A 152 -6.112 -2.685 11.079 1.00 5.28 C ATOM 2430 OH TYR A 152 -5.606 -3.661 11.893 1.00 6.91 O ATOM 0 H TYR A 152 -7.636 -0.765 5.600 1.00 0.89 H new ATOM 0 HA TYR A 152 -9.506 -0.495 7.794 1.00 0.97 H new ATOM 0 HB2 TYR A 152 -6.879 0.932 8.047 1.00 1.20 H new ATOM 0 HB3 TYR A 152 -8.286 1.087 9.080 1.00 1.20 H new ATOM 0 HD1 TYR A 152 -8.991 -0.951 10.499 1.00 2.63 H new ATOM 0 HD2 TYR A 152 -5.147 -0.560 8.595 1.00 3.89 H new ATOM 0 HE1 TYR A 152 -8.076 -2.735 11.970 1.00 4.12 H new ATOM 0 HE2 TYR A 152 -4.239 -2.344 10.066 1.00 5.31 H new ATOM 0 HH TYR A 152 -4.668 -3.826 11.662 1.00 6.91 H new ATOM 2440 N ASN A 153 -9.734 2.047 6.873 1.00 1.03 N ATOM 2441 CA ASN A 153 -10.058 3.243 6.132 1.00 1.22 C ATOM 2442 C ASN A 153 -8.885 4.212 6.227 1.00 1.16 C ATOM 2443 O ASN A 153 -8.281 4.581 5.223 1.00 2.34 O ATOM 2444 CB ASN A 153 -11.337 3.847 6.721 1.00 2.07 C ATOM 2445 CG ASN A 153 -11.471 5.308 6.339 1.00 2.75 C ATOM 2446 OD1 ASN A 153 -11.411 5.648 5.161 1.00 2.81 O ATOM 2447 ND2 ASN A 153 -11.587 6.179 7.337 1.00 3.86 N ATOM 0 H ASN A 153 -10.198 1.984 7.779 1.00 1.03 H new ATOM 0 HA ASN A 153 -10.233 3.022 5.079 1.00 1.22 H new ATOM 0 HB2 ASN A 153 -12.204 3.292 6.363 1.00 2.07 H new ATOM 0 HB3 ASN A 153 -11.323 3.751 7.807 1.00 2.07 H new ATOM 0 HD21 ASN A 153 -11.630 7.179 7.139 1.00 3.86 H new ATOM 0 HD22 ASN A 153 -11.633 5.847 8.301 1.00 3.86 H new ATOM 2520 N PRO A 159 -13.858 1.325 5.565 1.00 1.18 N ATOM 2521 CA PRO A 159 -12.844 0.448 6.141 1.00 1.06 C ATOM 2522 C PRO A 159 -12.221 -0.493 5.119 1.00 1.16 C ATOM 2523 O PRO A 159 -11.001 -0.604 5.064 1.00 1.50 O ATOM 2524 CB PRO A 159 -13.494 -0.284 7.318 1.00 1.10 C ATOM 2525 CG PRO A 159 -14.995 -0.096 7.090 1.00 1.05 C ATOM 2526 CD PRO A 159 -15.085 1.227 6.329 1.00 1.13 C ATOM 0 HA PRO A 159 -11.998 1.038 6.495 1.00 1.06 H new ATOM 0 HB2 PRO A 159 -13.222 -1.339 7.331 1.00 1.10 H new ATOM 0 HB3 PRO A 159 -13.180 0.138 8.273 1.00 1.10 H new ATOM 0 HG2 PRO A 159 -15.418 -0.919 6.514 1.00 1.05 H new ATOM 0 HG3 PRO A 159 -15.541 -0.053 8.033 1.00 1.05 H new ATOM 0 HD2 PRO A 159 -15.956 1.243 5.674 1.00 1.13 H new ATOM 0 HD3 PRO A 159 -15.187 2.067 7.016 1.00 1.13 H new ATOM 2534 N TYR A 160 -13.076 -1.131 4.318 1.00 1.10 N ATOM 2535 CA TYR A 160 -12.812 -2.102 3.290 1.00 1.31 C ATOM 2536 C TYR A 160 -12.676 -3.506 3.843 1.00 1.52 C ATOM 2537 O TYR A 160 -12.989 -4.413 3.093 1.00 1.61 O ATOM 2538 CB TYR A 160 -11.692 -1.709 2.328 1.00 1.67 C ATOM 2539 CG TYR A 160 -12.029 -0.686 1.260 1.00 1.74 C ATOM 2540 CD1 TYR A 160 -13.045 -0.975 0.336 1.00 2.73 C ATOM 2541 CD2 TYR A 160 -11.119 0.347 0.973 1.00 2.21 C ATOM 2542 CE1 TYR A 160 -13.040 -0.388 -0.932 1.00 3.05 C ATOM 2543 CE2 TYR A 160 -11.196 1.039 -0.253 1.00 2.44 C ATOM 2544 CZ TYR A 160 -12.136 0.642 -1.220 1.00 2.43 C ATOM 2545 OH TYR A 160 -12.116 1.169 -2.474 1.00 2.95 O ATOM 0 H TYR A 160 -14.077 -0.949 4.394 1.00 1.10 H new ATOM 0 HA TYR A 160 -13.703 -2.110 2.663 1.00 1.31 H new ATOM 0 HB2 TYR A 160 -10.860 -1.323 2.917 1.00 1.67 H new ATOM 0 HB3 TYR A 160 -11.339 -2.613 1.832 1.00 1.67 H new ATOM 0 HD1 TYR A 160 -13.837 -1.657 0.607 1.00 2.73 H new ATOM 0 HD2 TYR A 160 -10.359 0.611 1.694 1.00 2.21 H new ATOM 0 HE1 TYR A 160 -13.732 -0.728 -1.688 1.00 3.05 H new ATOM 0 HE2 TYR A 160 -10.535 1.871 -0.448 1.00 2.44 H new ATOM 0 HH TYR A 160 -11.438 1.875 -2.521 1.00 2.95 H new ATOM 2555 N ASP A 161 -12.451 -3.722 5.142 1.00 1.69 N ATOM 2556 CA ASP A 161 -12.457 -5.066 5.712 1.00 2.01 C ATOM 2557 C ASP A 161 -13.738 -5.792 5.322 1.00 1.71 C ATOM 2558 O ASP A 161 -13.721 -6.869 4.730 1.00 1.71 O ATOM 2559 CB ASP A 161 -12.364 -4.983 7.235 1.00 2.56 C ATOM 2560 CG ASP A 161 -11.147 -4.208 7.678 1.00 3.00 C ATOM 2561 OD1 ASP A 161 -11.202 -2.965 7.525 1.00 3.69 O ATOM 2562 OD2 ASP A 161 -10.174 -4.874 8.096 1.00 3.52 O ATOM 0 H ASP A 161 -12.263 -2.981 5.817 1.00 1.69 H new ATOM 0 HA ASP A 161 -11.600 -5.617 5.325 1.00 2.01 H new ATOM 0 HB2 ASP A 161 -13.262 -4.507 7.629 1.00 2.56 H new ATOM 0 HB3 ASP A 161 -12.327 -5.989 7.653 1.00 2.56 H new ATOM 2567 N ASP A 162 -14.847 -5.121 5.612 1.00 1.55 N ATOM 2568 CA ASP A 162 -16.201 -5.572 5.375 1.00 1.57 C ATOM 2569 C ASP A 162 -16.374 -5.760 3.875 1.00 1.21 C ATOM 2570 O ASP A 162 -16.277 -6.877 3.394 1.00 1.32 O ATOM 2571 CB ASP A 162 -17.168 -4.554 5.999 1.00 1.76 C ATOM 2572 CG ASP A 162 -18.553 -4.593 5.377 1.00 2.51 C ATOM 2573 OD1 ASP A 162 -19.339 -5.486 5.751 1.00 3.78 O ATOM 2574 OD2 ASP A 162 -18.772 -3.717 4.514 1.00 2.81 O ATOM 0 H ASP A 162 -14.817 -4.197 6.043 1.00 1.55 H new ATOM 0 HA ASP A 162 -16.419 -6.532 5.844 1.00 1.57 H new ATOM 0 HB2 ASP A 162 -17.250 -4.748 7.068 1.00 1.76 H new ATOM 0 HB3 ASP A 162 -16.754 -3.552 5.888 1.00 1.76 H new ATOM 2579 N ILE A 163 -16.555 -4.670 3.139 1.00 1.01 N ATOM 2580 CA ILE A 163 -16.644 -4.597 1.687 1.00 1.02 C ATOM 2581 C ILE A 163 -15.812 -5.679 0.970 1.00 0.97 C ATOM 2582 O ILE A 163 -16.351 -6.467 0.195 1.00 1.06 O ATOM 2583 CB ILE A 163 -16.242 -3.181 1.253 1.00 1.14 C ATOM 2584 CG1 ILE A 163 -17.003 -2.112 2.062 1.00 1.23 C ATOM 2585 CG2 ILE A 163 -16.493 -2.967 -0.244 1.00 1.51 C ATOM 2586 CD1 ILE A 163 -16.169 -1.532 3.215 1.00 1.20 C ATOM 0 H ILE A 163 -16.650 -3.751 3.571 1.00 1.01 H new ATOM 0 HA ILE A 163 -17.673 -4.801 1.390 1.00 1.02 H new ATOM 0 HB ILE A 163 -15.175 -3.077 1.449 1.00 1.14 H new ATOM 0 HG12 ILE A 163 -17.304 -1.304 1.395 1.00 1.23 H new ATOM 0 HG13 ILE A 163 -17.916 -2.550 2.465 1.00 1.23 H new ATOM 0 HG21 ILE A 163 -16.198 -1.955 -0.521 1.00 1.51 H new ATOM 0 HG22 ILE A 163 -15.907 -3.685 -0.817 1.00 1.51 H new ATOM 0 HG23 ILE A 163 -17.552 -3.108 -0.459 1.00 1.51 H new ATOM 0 HD11 ILE A 163 -16.756 -0.785 3.749 1.00 1.20 H new ATOM 0 HD12 ILE A 163 -15.890 -2.332 3.901 1.00 1.20 H new ATOM 0 HD13 ILE A 163 -15.268 -1.067 2.814 1.00 1.20 H new ATOM 2598 N ILE A 164 -14.494 -5.726 1.184 1.00 1.05 N ATOM 2599 CA ILE A 164 -13.625 -6.716 0.574 1.00 1.24 C ATOM 2600 C ILE A 164 -13.978 -8.119 1.054 1.00 1.16 C ATOM 2601 O ILE A 164 -14.132 -8.985 0.197 1.00 1.15 O ATOM 2602 CB ILE A 164 -12.153 -6.339 0.799 1.00 1.61 C ATOM 2603 CG1 ILE A 164 -11.679 -5.288 -0.210 1.00 1.93 C ATOM 2604 CG2 ILE A 164 -11.187 -7.526 0.729 1.00 1.90 C ATOM 2605 CD1 ILE A 164 -12.654 -4.152 -0.505 1.00 1.79 C ATOM 0 H ILE A 164 -14.004 -5.069 1.791 1.00 1.05 H new ATOM 0 HA ILE A 164 -13.782 -6.725 -0.505 1.00 1.24 H new ATOM 0 HB ILE A 164 -12.131 -5.940 1.813 1.00 1.61 H new ATOM 0 HG12 ILE A 164 -10.749 -4.855 0.158 1.00 1.93 H new ATOM 0 HG13 ILE A 164 -11.447 -5.793 -1.148 1.00 1.93 H new ATOM 0 HG21 ILE A 164 -10.168 -7.177 0.898 1.00 1.90 H new ATOM 0 HG22 ILE A 164 -11.452 -8.256 1.494 1.00 1.90 H new ATOM 0 HG23 ILE A 164 -11.252 -7.991 -0.255 1.00 1.90 H new ATOM 0 HD11 ILE A 164 -12.210 -3.471 -1.232 1.00 1.79 H new ATOM 0 HD12 ILE A 164 -13.579 -4.562 -0.910 1.00 1.79 H new ATOM 0 HD13 ILE A 164 -12.870 -3.610 0.415 1.00 1.79 H new ATOM 2617 N SER A 165 -14.105 -8.372 2.366 1.00 1.24 N ATOM 2618 CA SER A 165 -14.504 -9.699 2.840 1.00 1.38 C ATOM 2619 C SER A 165 -15.772 -10.134 2.109 1.00 1.22 C ATOM 2620 O SER A 165 -15.851 -11.264 1.622 1.00 1.27 O ATOM 2621 CB SER A 165 -14.709 -9.750 4.367 1.00 1.77 C ATOM 2622 OG SER A 165 -15.928 -9.181 4.783 1.00 2.61 O ATOM 0 H SER A 165 -13.940 -7.686 3.103 1.00 1.24 H new ATOM 0 HA SER A 165 -13.691 -10.391 2.619 1.00 1.38 H new ATOM 0 HB2 SER A 165 -14.668 -10.788 4.698 1.00 1.77 H new ATOM 0 HB3 SER A 165 -13.886 -9.227 4.855 1.00 1.77 H new ATOM 0 HG SER A 165 -16.104 -8.369 4.263 1.00 2.61 H new ATOM 2628 N ASP A 166 -16.728 -9.206 1.996 1.00 1.16 N ATOM 2629 CA ASP A 166 -18.015 -9.481 1.387 1.00 1.29 C ATOM 2630 C ASP A 166 -17.812 -9.855 -0.080 1.00 1.22 C ATOM 2631 O ASP A 166 -18.079 -10.986 -0.477 1.00 1.35 O ATOM 2632 CB ASP A 166 -18.949 -8.282 1.561 1.00 1.42 C ATOM 2633 CG ASP A 166 -20.241 -8.521 0.792 1.00 1.74 C ATOM 2634 OD1 ASP A 166 -21.120 -9.211 1.349 1.00 2.07 O ATOM 2635 OD2 ASP A 166 -20.305 -8.045 -0.362 1.00 2.78 O ATOM 0 H ASP A 166 -16.623 -8.247 2.327 1.00 1.16 H new ATOM 0 HA ASP A 166 -18.491 -10.327 1.883 1.00 1.29 H new ATOM 0 HB2 ASP A 166 -19.167 -8.129 2.618 1.00 1.42 H new ATOM 0 HB3 ASP A 166 -18.463 -7.375 1.201 1.00 1.42 H new ATOM 2640 N VAL A 167 -17.279 -8.930 -0.880 1.00 1.14 N ATOM 2641 CA VAL A 167 -17.096 -9.128 -2.309 1.00 1.29 C ATOM 2642 C VAL A 167 -16.273 -10.393 -2.585 1.00 1.18 C ATOM 2643 O VAL A 167 -16.637 -11.190 -3.451 1.00 1.33 O ATOM 2644 CB VAL A 167 -16.477 -7.859 -2.925 1.00 1.44 C ATOM 2645 CG1 VAL A 167 -16.082 -8.073 -4.391 1.00 1.78 C ATOM 2646 CG2 VAL A 167 -17.484 -6.700 -2.873 1.00 1.63 C ATOM 0 H VAL A 167 -16.962 -8.019 -0.548 1.00 1.14 H new ATOM 0 HA VAL A 167 -18.062 -9.289 -2.788 1.00 1.29 H new ATOM 0 HB VAL A 167 -15.586 -7.626 -2.343 1.00 1.44 H new ATOM 0 HG11 VAL A 167 -15.649 -7.155 -4.789 1.00 1.78 H new ATOM 0 HG12 VAL A 167 -15.350 -8.878 -4.457 1.00 1.78 H new ATOM 0 HG13 VAL A 167 -16.966 -8.339 -4.971 1.00 1.78 H new ATOM 0 HG21 VAL A 167 -17.035 -5.808 -3.311 1.00 1.63 H new ATOM 0 HG22 VAL A 167 -18.378 -6.970 -3.435 1.00 1.63 H new ATOM 0 HG23 VAL A 167 -17.754 -6.498 -1.836 1.00 1.63 H new ATOM 2656 N LYS A 168 -15.159 -10.587 -1.870 1.00 1.04 N ATOM 2657 CA LYS A 168 -14.337 -11.778 -2.026 1.00 1.07 C ATOM 2658 C LYS A 168 -15.167 -13.027 -1.756 1.00 1.05 C ATOM 2659 O LYS A 168 -15.351 -13.852 -2.652 1.00 1.18 O ATOM 2660 CB LYS A 168 -13.095 -11.734 -1.122 1.00 1.30 C ATOM 2661 CG LYS A 168 -11.844 -11.177 -1.816 1.00 1.87 C ATOM 2662 CD LYS A 168 -11.964 -9.740 -2.343 1.00 2.12 C ATOM 2663 CE LYS A 168 -12.211 -9.658 -3.856 1.00 2.55 C ATOM 2664 NZ LYS A 168 -12.095 -8.273 -4.357 1.00 3.50 N ATOM 0 H LYS A 168 -14.810 -9.926 -1.175 1.00 1.04 H new ATOM 0 HA LYS A 168 -13.981 -11.810 -3.056 1.00 1.07 H new ATOM 0 HB2 LYS A 168 -13.316 -11.124 -0.246 1.00 1.30 H new ATOM 0 HB3 LYS A 168 -12.882 -12.741 -0.763 1.00 1.30 H new ATOM 0 HG2 LYS A 168 -11.011 -11.219 -1.114 1.00 1.87 H new ATOM 0 HG3 LYS A 168 -11.591 -11.831 -2.650 1.00 1.87 H new ATOM 0 HD2 LYS A 168 -12.780 -9.238 -1.823 1.00 2.12 H new ATOM 0 HD3 LYS A 168 -11.050 -9.196 -2.103 1.00 2.12 H new ATOM 0 HE2 LYS A 168 -11.495 -10.294 -4.376 1.00 2.55 H new ATOM 0 HE3 LYS A 168 -13.204 -10.045 -4.084 1.00 2.55 H new ATOM 0 HZ1 LYS A 168 -12.707 -8.152 -5.189 1.00 3.50 H new ATOM 0 HZ2 LYS A 168 -12.388 -7.609 -3.612 1.00 3.50 H new ATOM 0 HZ3 LYS A 168 -11.108 -8.081 -4.623 1.00 3.50 H new ATOM 2678 N SER A 169 -15.684 -13.136 -0.533 1.00 1.22 N ATOM 2679 CA SER A 169 -16.394 -14.324 -0.095 1.00 1.51 C ATOM 2680 C SER A 169 -17.602 -14.587 -1.001 1.00 1.50 C ATOM 2681 O SER A 169 -17.917 -15.731 -1.315 1.00 1.67 O ATOM 2682 CB SER A 169 -16.815 -14.137 1.369 1.00 1.93 C ATOM 2683 OG SER A 169 -17.396 -15.314 1.895 1.00 2.39 O ATOM 0 H SER A 169 -15.620 -12.404 0.175 1.00 1.22 H new ATOM 0 HA SER A 169 -15.744 -15.196 -0.164 1.00 1.51 H new ATOM 0 HB2 SER A 169 -15.946 -13.861 1.966 1.00 1.93 H new ATOM 0 HB3 SER A 169 -17.527 -13.315 1.442 1.00 1.93 H new ATOM 0 HG SER A 169 -17.652 -15.163 2.829 1.00 2.39 H new ATOM 2689 N ALA A 170 -18.267 -13.523 -1.456 1.00 1.52 N ATOM 2690 CA ALA A 170 -19.470 -13.611 -2.272 1.00 1.82 C ATOM 2691 C ALA A 170 -19.105 -14.118 -3.661 1.00 1.80 C ATOM 2692 O ALA A 170 -19.814 -14.937 -4.242 1.00 2.10 O ATOM 2693 CB ALA A 170 -20.157 -12.245 -2.350 1.00 2.00 C ATOM 0 H ALA A 170 -17.977 -12.564 -1.263 1.00 1.52 H new ATOM 0 HA ALA A 170 -20.169 -14.313 -1.816 1.00 1.82 H new ATOM 0 HB1 ALA A 170 -21.055 -12.324 -2.963 1.00 2.00 H new ATOM 0 HB2 ALA A 170 -20.430 -11.917 -1.347 1.00 2.00 H new ATOM 0 HB3 ALA A 170 -19.476 -11.520 -2.796 1.00 2.00 H new ATOM 2699 N SER A 171 -17.989 -13.622 -4.193 1.00 1.59 N ATOM 2700 CA SER A 171 -17.423 -14.101 -5.441 1.00 1.76 C ATOM 2701 C SER A 171 -16.823 -15.510 -5.280 1.00 1.60 C ATOM 2702 O SER A 171 -16.681 -16.236 -6.261 1.00 1.85 O ATOM 2703 CB SER A 171 -16.462 -13.029 -5.964 1.00 1.91 C ATOM 2704 OG SER A 171 -16.079 -13.290 -7.300 1.00 2.74 O ATOM 0 H SER A 171 -17.452 -12.870 -3.762 1.00 1.59 H new ATOM 0 HA SER A 171 -18.190 -14.241 -6.203 1.00 1.76 H new ATOM 0 HB2 SER A 171 -16.938 -12.050 -5.905 1.00 1.91 H new ATOM 0 HB3 SER A 171 -15.576 -12.991 -5.330 1.00 1.91 H new ATOM 0 HG SER A 171 -15.467 -12.589 -7.608 1.00 2.74 H new ATOM 2710 N THR A 172 -16.497 -15.917 -4.047 1.00 1.54 N ATOM 2711 CA THR A 172 -16.001 -17.222 -3.628 1.00 1.56 C ATOM 2712 C THR A 172 -14.597 -17.512 -4.160 1.00 1.83 C ATOM 2713 O THR A 172 -14.153 -18.658 -4.186 1.00 2.18 O ATOM 2714 CB THR A 172 -17.000 -18.358 -3.907 1.00 3.02 C ATOM 2715 OG1 THR A 172 -17.102 -18.710 -5.273 1.00 3.44 O ATOM 2716 CG2 THR A 172 -18.404 -18.090 -3.365 1.00 5.08 C ATOM 0 H THR A 172 -16.583 -15.283 -3.253 1.00 1.54 H new ATOM 0 HA THR A 172 -15.906 -17.178 -2.543 1.00 1.56 H new ATOM 0 HB THR A 172 -16.569 -19.199 -3.363 1.00 3.02 H new ATOM 0 HG1 THR A 172 -16.744 -17.984 -5.825 1.00 3.44 H new ATOM 0 HG21 THR A 172 -19.052 -18.934 -3.600 1.00 5.08 H new ATOM 0 HG22 THR A 172 -18.358 -17.958 -2.284 1.00 5.08 H new ATOM 0 HG23 THR A 172 -18.805 -17.186 -3.824 1.00 5.08 H new