USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 603 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 137 LYS NZ :NH3+ -148:sc= -0.127 (180deg=-1.09) USER MOD Set 1.2: A 143 SER OG : rot -101:sc= -0.0143 USER MOD Set 2.1: A 119 THR OG1 : rot 180:sc= -0.545 USER MOD Set 2.2: A 122 GLN : amide:sc= 0.0772 K(o=-0.47,f=-5.1!) USER MOD Set 3.1: A 107 SER OG : rot 180:sc= 0.013 USER MOD Set 3.2: A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.0391 F(o=-1.7!,f=-0.039) USER MOD Single : A 101 SER OG : rot 180:sc= -0.011 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.871 F(o=-1.4!,f=-0.87) USER MOD Single : A 112 SER OG : rot -45:sc= 0.577 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -81:sc= -2.07! USER MOD Single : A 127 MET CE :methyl -167:sc= -0.0738 (180deg=-0.244) USER MOD Single : A 130 THR OG1 : rot 155:sc= 1.39 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 167:sc= -0.575 (180deg=-0.883) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.697 K(o=-0.7,f=-5.8!) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ -127:sc= -1.2 (180deg=-3.56!) USER MOD Single : A 148 ASN : amide:sc= -0.0536 X(o=-0.054,f=-0.24) USER MOD Single : A 149 SER OG : rot -91:sc= -0.246! USER MOD Single : A 152 HIS : no HD1:sc= -0.0834 X(o=-0.083,f=-0.28) USER MOD Single : A 153 ASN : amide:sc= -0.574 X(o=-0.57,f=-1) USER MOD Single : A 155 SER OG : rot 180:sc= -0.118 USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0171) USER MOD Single : A 164 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.98) USER MOD Single : A 165 ASN : amide:sc= -4.83! C(o=-4.8!,f=-11!) USER MOD Single : A 171 SER OG : rot -22:sc= 0.252 USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 175 MET CE :methyl -127:sc= -0.0256 (180deg=-0.661) USER MOD Single : A 177 ASN :FLIP amide:sc= -0.298 F(o=-1.2!,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 129 N GLN A 100 -8.818 9.983 4.595 1.00 0.00 N ATOM 130 CA GLN A 100 -8.126 8.734 4.175 1.00 0.00 C ATOM 131 C GLN A 100 -6.883 8.517 5.035 1.00 0.00 C ATOM 132 O GLN A 100 -6.119 9.427 5.288 1.00 0.00 O ATOM 133 CB GLN A 100 -7.720 8.857 2.707 1.00 0.00 C ATOM 134 CG GLN A 100 -8.984 8.959 1.852 1.00 0.00 C ATOM 135 CD GLN A 100 -8.604 9.078 0.376 1.00 0.00 C ATOM 136 OE1 GLN A 100 -7.352 9.232 0.047 1.00 0.00 O flip ATOM 137 NE2 GLN A 100 -9.458 9.030 -0.486 1.00 0.00 N flip ATOM 0 HA GLN A 100 -8.798 7.885 4.301 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.094 9.737 2.561 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.129 7.992 2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.610 8.080 2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.571 9.825 2.157 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.437 8.909 -0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.196 9.110 -1.469 1.00 0.00 H new ATOM 146 N SER A 101 -6.677 7.309 5.476 1.00 0.00 N ATOM 147 CA SER A 101 -5.487 7.001 6.314 1.00 0.00 C ATOM 148 C SER A 101 -4.591 6.032 5.549 1.00 0.00 C ATOM 149 O SER A 101 -4.983 5.474 4.546 1.00 0.00 O ATOM 150 CB SER A 101 -5.939 6.355 7.624 1.00 0.00 C ATOM 151 OG SER A 101 -6.785 5.249 7.337 1.00 0.00 O ATOM 0 H SER A 101 -7.288 6.514 5.290 1.00 0.00 H new ATOM 0 HA SER A 101 -4.940 7.917 6.538 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.073 6.025 8.198 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.469 7.083 8.238 1.00 0.00 H new ATOM 0 HG SER A 101 -7.075 4.832 8.175 1.00 0.00 H new ATOM 157 N TYR A 102 -3.394 5.821 6.009 1.00 0.00 N ATOM 158 CA TYR A 102 -2.492 4.879 5.298 1.00 0.00 C ATOM 159 C TYR A 102 -3.143 3.501 5.288 1.00 0.00 C ATOM 160 O TYR A 102 -3.072 2.771 4.325 1.00 0.00 O ATOM 161 CB TYR A 102 -1.159 4.820 6.032 1.00 0.00 C ATOM 162 CG TYR A 102 -0.575 6.210 6.084 1.00 0.00 C ATOM 163 CD1 TYR A 102 0.212 6.685 5.026 1.00 0.00 C ATOM 164 CD2 TYR A 102 -0.837 7.034 7.185 1.00 0.00 C ATOM 165 CE1 TYR A 102 0.735 7.983 5.073 1.00 0.00 C ATOM 166 CE2 TYR A 102 -0.311 8.330 7.233 1.00 0.00 C ATOM 167 CZ TYR A 102 0.473 8.803 6.177 1.00 0.00 C ATOM 168 OH TYR A 102 0.987 10.084 6.222 1.00 0.00 O ATOM 0 H TYR A 102 -3.002 6.258 6.843 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.321 5.210 4.274 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.300 4.431 7.040 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.476 4.142 5.521 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.415 6.051 4.176 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.446 6.669 7.999 1.00 0.00 H new ATOM 0 HE1 TYR A 102 1.340 8.351 4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.511 8.964 8.085 1.00 0.00 H new ATOM 0 HH TYR A 102 0.710 10.519 7.056 1.00 0.00 H new ATOM 178 N ALA A 103 -3.792 3.152 6.361 1.00 0.00 N ATOM 179 CA ALA A 103 -4.468 1.830 6.425 1.00 0.00 C ATOM 180 C ALA A 103 -5.421 1.687 5.232 1.00 0.00 C ATOM 181 O ALA A 103 -5.384 0.709 4.513 1.00 0.00 O ATOM 182 CB ALA A 103 -5.263 1.737 7.729 1.00 0.00 C ATOM 0 H ALA A 103 -3.883 3.727 7.198 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.725 1.033 6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.762 0.769 7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.586 1.844 8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.009 2.532 7.758 1.00 0.00 H new ATOM 188 N GLU A 104 -6.274 2.654 5.015 1.00 0.00 N ATOM 189 CA GLU A 104 -7.228 2.568 3.869 1.00 0.00 C ATOM 190 C GLU A 104 -6.481 2.689 2.536 1.00 0.00 C ATOM 191 O GLU A 104 -6.781 1.999 1.582 1.00 0.00 O ATOM 192 CB GLU A 104 -8.251 3.704 3.959 1.00 0.00 C ATOM 193 CG GLU A 104 -9.080 3.559 5.234 1.00 0.00 C ATOM 194 CD GLU A 104 -10.309 4.467 5.150 1.00 0.00 C ATOM 195 OE1 GLU A 104 -10.889 4.545 4.079 1.00 0.00 O ATOM 196 OE2 GLU A 104 -10.645 5.072 6.153 1.00 0.00 O ATOM 0 H GLU A 104 -6.351 3.499 5.581 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.732 1.602 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.740 4.667 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.904 3.687 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.389 2.522 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.478 3.823 6.104 1.00 0.00 H new ATOM 203 N LEU A 105 -5.528 3.574 2.457 1.00 0.00 N ATOM 204 CA LEU A 105 -4.791 3.756 1.176 1.00 0.00 C ATOM 205 C LEU A 105 -4.135 2.437 0.747 1.00 0.00 C ATOM 206 O LEU A 105 -4.155 2.080 -0.414 1.00 0.00 O ATOM 207 CB LEU A 105 -3.728 4.847 1.361 1.00 0.00 C ATOM 208 CG LEU A 105 -4.422 6.201 1.603 1.00 0.00 C ATOM 209 CD1 LEU A 105 -3.456 7.167 2.302 1.00 0.00 C ATOM 210 CD2 LEU A 105 -4.863 6.806 0.262 1.00 0.00 C ATOM 0 H LEU A 105 -5.228 4.178 3.222 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.488 4.058 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.082 4.601 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.092 4.904 0.478 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.295 6.042 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.954 8.122 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.149 6.745 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.578 7.321 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.353 7.763 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.990 6.957 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.559 6.128 -0.232 1.00 0.00 H new ATOM 222 N ILE A 106 -3.562 1.704 1.662 1.00 0.00 N ATOM 223 CA ILE A 106 -2.930 0.408 1.274 1.00 0.00 C ATOM 224 C ILE A 106 -4.002 -0.538 0.719 1.00 0.00 C ATOM 225 O ILE A 106 -3.788 -1.236 -0.252 1.00 0.00 O ATOM 226 CB ILE A 106 -2.270 -0.237 2.498 1.00 0.00 C ATOM 227 CG1 ILE A 106 -1.218 0.716 3.075 1.00 0.00 C ATOM 228 CG2 ILE A 106 -1.584 -1.549 2.088 1.00 0.00 C ATOM 229 CD1 ILE A 106 -0.984 0.386 4.551 1.00 0.00 C ATOM 0 H ILE A 106 -3.503 1.942 2.652 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.173 0.594 0.512 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.034 -0.442 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.285 0.624 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.551 1.749 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.116 -2.003 2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.325 -2.234 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.823 -1.342 1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.236 1.064 4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.918 0.500 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.632 -0.641 4.643 1.00 0.00 H new ATOM 241 N SER A 107 -5.147 -0.579 1.341 1.00 0.00 N ATOM 242 CA SER A 107 -6.226 -1.495 0.870 1.00 0.00 C ATOM 243 C SER A 107 -6.509 -1.261 -0.616 1.00 0.00 C ATOM 244 O SER A 107 -6.599 -2.187 -1.396 1.00 0.00 O ATOM 245 CB SER A 107 -7.504 -1.222 1.668 1.00 0.00 C ATOM 246 OG SER A 107 -7.187 -1.119 3.050 1.00 0.00 O ATOM 0 H SER A 107 -5.384 -0.016 2.158 1.00 0.00 H new ATOM 0 HA SER A 107 -5.903 -2.526 1.016 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.972 -0.300 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.224 -2.025 1.508 1.00 0.00 H new ATOM 0 HG SER A 107 -8.004 -0.943 3.561 1.00 0.00 H new ATOM 252 N GLN A 108 -6.667 -0.031 -1.005 1.00 0.00 N ATOM 253 CA GLN A 108 -6.966 0.271 -2.436 1.00 0.00 C ATOM 254 C GLN A 108 -5.847 -0.261 -3.333 1.00 0.00 C ATOM 255 O GLN A 108 -6.091 -0.789 -4.401 1.00 0.00 O ATOM 256 CB GLN A 108 -7.085 1.786 -2.617 1.00 0.00 C ATOM 257 CG GLN A 108 -8.250 2.308 -1.774 1.00 0.00 C ATOM 258 CD GLN A 108 -9.569 1.825 -2.380 1.00 0.00 C ATOM 259 OE1 GLN A 108 -10.184 0.804 -1.847 1.00 0.00 O flip ATOM 260 NE2 GLN A 108 -10.045 2.379 -3.352 1.00 0.00 N flip ATOM 0 H GLN A 108 -6.603 0.784 -0.395 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.903 -0.211 -2.715 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.157 2.273 -2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -7.246 2.026 -3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -8.158 1.955 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.230 3.397 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -9.566 3.177 -3.770 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -10.923 2.046 -3.750 1.00 0.00 H new ATOM 269 N ALA A 109 -4.619 -0.126 -2.915 1.00 0.00 N ATOM 270 CA ALA A 109 -3.495 -0.627 -3.756 1.00 0.00 C ATOM 271 C ALA A 109 -3.614 -2.137 -3.949 1.00 0.00 C ATOM 272 O ALA A 109 -3.554 -2.638 -5.055 1.00 0.00 O ATOM 273 CB ALA A 109 -2.163 -0.295 -3.074 1.00 0.00 C ATOM 0 H ALA A 109 -4.346 0.307 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.536 -0.144 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.339 -0.660 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.075 0.785 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.126 -0.773 -2.095 1.00 0.00 H new ATOM 279 N ILE A 110 -3.768 -2.869 -2.886 1.00 0.00 N ATOM 280 CA ILE A 110 -3.875 -4.347 -3.012 1.00 0.00 C ATOM 281 C ILE A 110 -5.177 -4.734 -3.725 1.00 0.00 C ATOM 282 O ILE A 110 -5.211 -5.661 -4.509 1.00 0.00 O ATOM 283 CB ILE A 110 -3.823 -4.969 -1.616 1.00 0.00 C ATOM 284 CG1 ILE A 110 -2.484 -4.605 -0.963 1.00 0.00 C ATOM 285 CG2 ILE A 110 -3.942 -6.490 -1.731 1.00 0.00 C ATOM 286 CD1 ILE A 110 -2.535 -4.893 0.537 1.00 0.00 C ATOM 0 H ILE A 110 -3.825 -2.509 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.043 -4.722 -3.609 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.645 -4.591 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.679 -5.177 -1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.263 -3.551 -1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -3.905 -6.934 -0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.888 -6.746 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.118 -6.875 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.579 -4.631 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.328 -4.301 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.734 -5.953 0.697 1.00 0.00 H new ATOM 298 N GLU A 111 -6.250 -4.045 -3.452 1.00 0.00 N ATOM 299 CA GLU A 111 -7.548 -4.386 -4.110 1.00 0.00 C ATOM 300 C GLU A 111 -7.460 -4.208 -5.632 1.00 0.00 C ATOM 301 O GLU A 111 -8.098 -4.924 -6.379 1.00 0.00 O ATOM 302 CB GLU A 111 -8.644 -3.473 -3.563 1.00 0.00 C ATOM 303 CG GLU A 111 -8.932 -3.839 -2.107 1.00 0.00 C ATOM 304 CD GLU A 111 -9.773 -2.734 -1.464 1.00 0.00 C ATOM 305 OE1 GLU A 111 -9.396 -1.580 -1.590 1.00 0.00 O ATOM 306 OE2 GLU A 111 -10.779 -3.060 -0.859 1.00 0.00 O ATOM 0 H GLU A 111 -6.287 -3.260 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.779 -5.430 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.332 -2.431 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.550 -3.575 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.462 -4.790 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.998 -3.965 -1.560 1.00 0.00 H new ATOM 313 N SER A 112 -6.701 -3.254 -6.106 1.00 0.00 N ATOM 314 CA SER A 112 -6.622 -3.051 -7.584 1.00 0.00 C ATOM 315 C SER A 112 -5.726 -4.115 -8.217 1.00 0.00 C ATOM 316 O SER A 112 -5.732 -4.307 -9.417 1.00 0.00 O ATOM 317 CB SER A 112 -6.059 -1.663 -7.890 1.00 0.00 C ATOM 318 OG SER A 112 -4.694 -1.614 -7.501 1.00 0.00 O ATOM 0 H SER A 112 -6.140 -2.615 -5.543 1.00 0.00 H new ATOM 0 HA SER A 112 -7.625 -3.135 -8.001 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.154 -1.446 -8.954 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.628 -0.901 -7.357 1.00 0.00 H new ATOM 0 HG SER A 112 -4.592 -2.020 -6.615 1.00 0.00 H new ATOM 324 N ALA A 113 -4.959 -4.815 -7.431 1.00 0.00 N ATOM 325 CA ALA A 113 -4.076 -5.863 -8.012 1.00 0.00 C ATOM 326 C ALA A 113 -4.953 -6.974 -8.601 1.00 0.00 C ATOM 327 O ALA A 113 -6.067 -7.188 -8.163 1.00 0.00 O ATOM 328 CB ALA A 113 -3.168 -6.437 -6.914 1.00 0.00 C ATOM 0 H ALA A 113 -4.905 -4.708 -6.418 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.452 -5.434 -8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.522 -7.204 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.556 -5.639 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.781 -6.876 -6.127 1.00 0.00 H new ATOM 334 N PRO A 114 -4.455 -7.674 -9.587 1.00 0.00 N ATOM 335 CA PRO A 114 -5.209 -8.781 -10.248 1.00 0.00 C ATOM 336 C PRO A 114 -5.469 -9.928 -9.271 1.00 0.00 C ATOM 337 O PRO A 114 -6.593 -10.191 -8.889 1.00 0.00 O ATOM 338 CB PRO A 114 -4.286 -9.228 -11.391 1.00 0.00 C ATOM 339 CG PRO A 114 -2.920 -8.765 -11.001 1.00 0.00 C ATOM 340 CD PRO A 114 -3.122 -7.493 -10.180 1.00 0.00 C ATOM 0 HA PRO A 114 -6.191 -8.466 -10.602 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -4.313 -10.310 -11.517 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.594 -8.788 -12.340 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.402 -9.527 -10.418 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -2.309 -8.567 -11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.354 -7.383 -9.414 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.079 -6.601 -10.805 1.00 0.00 H new ATOM 348 N GLU A 115 -4.436 -10.593 -8.840 1.00 0.00 N ATOM 349 CA GLU A 115 -4.623 -11.694 -7.863 1.00 0.00 C ATOM 350 C GLU A 115 -4.972 -11.063 -6.519 1.00 0.00 C ATOM 351 O GLU A 115 -5.153 -11.738 -5.525 1.00 0.00 O ATOM 352 CB GLU A 115 -3.327 -12.505 -7.745 1.00 0.00 C ATOM 353 CG GLU A 115 -2.979 -13.104 -9.108 1.00 0.00 C ATOM 354 CD GLU A 115 -1.738 -13.988 -8.978 1.00 0.00 C ATOM 355 OE1 GLU A 115 -0.644 -13.462 -9.107 1.00 0.00 O ATOM 356 OE2 GLU A 115 -1.903 -15.175 -8.752 1.00 0.00 O ATOM 0 H GLU A 115 -3.471 -10.421 -9.123 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.419 -12.366 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.515 -11.866 -7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.447 -13.298 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.818 -13.690 -9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.797 -12.308 -9.830 1.00 0.00 H new ATOM 363 N LYS A 116 -5.066 -9.755 -6.500 1.00 0.00 N ATOM 364 CA LYS A 116 -5.402 -9.024 -5.244 1.00 0.00 C ATOM 365 C LYS A 116 -4.289 -9.237 -4.221 1.00 0.00 C ATOM 366 O LYS A 116 -4.530 -9.592 -3.084 1.00 0.00 O ATOM 367 CB LYS A 116 -6.744 -9.517 -4.699 1.00 0.00 C ATOM 368 CG LYS A 116 -7.817 -9.269 -5.760 1.00 0.00 C ATOM 369 CD LYS A 116 -9.192 -9.669 -5.219 1.00 0.00 C ATOM 370 CE LYS A 116 -10.181 -9.820 -6.384 1.00 0.00 C ATOM 371 NZ LYS A 116 -11.418 -9.045 -6.091 1.00 0.00 N ATOM 0 H LYS A 116 -4.922 -9.158 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.489 -7.957 -5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -6.688 -10.578 -4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.994 -8.993 -3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.821 -8.217 -6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.590 -9.842 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.118 -10.606 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -9.552 -8.915 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.727 -9.464 -7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -10.425 -10.872 -6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -12.087 -9.148 -6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.854 -9.405 -5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -11.178 -8.040 -5.969 1.00 0.00 H new ATOM 385 N ARG A 117 -3.066 -9.012 -4.627 1.00 0.00 N ATOM 386 CA ARG A 117 -1.909 -9.190 -3.704 1.00 0.00 C ATOM 387 C ARG A 117 -0.763 -8.297 -4.185 1.00 0.00 C ATOM 388 O ARG A 117 -0.665 -7.981 -5.355 1.00 0.00 O ATOM 389 CB ARG A 117 -1.436 -10.649 -3.740 1.00 0.00 C ATOM 390 CG ARG A 117 -2.621 -11.599 -3.559 1.00 0.00 C ATOM 391 CD ARG A 117 -2.108 -13.036 -3.503 1.00 0.00 C ATOM 392 NE ARG A 117 -1.334 -13.329 -4.739 1.00 0.00 N ATOM 393 CZ ARG A 117 -0.569 -14.383 -4.795 1.00 0.00 C ATOM 394 NH1 ARG A 117 -0.491 -15.182 -3.767 1.00 0.00 N ATOM 395 NH2 ARG A 117 0.111 -14.640 -5.877 1.00 0.00 N ATOM 0 H ARG A 117 -2.819 -8.709 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 117 -2.207 -8.927 -2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.939 -10.854 -4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.702 -10.819 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -3.160 -11.357 -2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.325 -11.483 -4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -1.479 -13.176 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.944 -13.730 -3.410 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.402 -12.705 -5.543 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -1.028 -14.981 -2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 117 0.106 -16.008 -3.807 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.045 -14.016 -6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.709 -15.465 -5.919 1.00 0.00 H new ATOM 409 N LEU A 118 0.105 -7.889 -3.300 1.00 0.00 N ATOM 410 CA LEU A 118 1.247 -7.015 -3.716 1.00 0.00 C ATOM 411 C LEU A 118 2.438 -7.242 -2.785 1.00 0.00 C ATOM 412 O LEU A 118 2.284 -7.667 -1.656 1.00 0.00 O ATOM 413 CB LEU A 118 0.847 -5.537 -3.600 1.00 0.00 C ATOM 414 CG LEU A 118 0.069 -5.077 -4.834 1.00 0.00 C ATOM 415 CD1 LEU A 118 -0.372 -3.628 -4.613 1.00 0.00 C ATOM 416 CD2 LEU A 118 0.961 -5.151 -6.083 1.00 0.00 C ATOM 0 H LEU A 118 0.076 -8.121 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 118 1.508 -7.261 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.238 -5.391 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.740 -4.924 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.796 -5.723 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.929 -3.281 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.007 -3.572 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.506 -2.998 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.395 -4.821 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.829 -4.506 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.292 -6.179 -6.233 1.00 0.00 H new ATOM 428 N THR A 119 3.620 -6.909 -3.231 1.00 0.00 N ATOM 429 CA THR A 119 4.809 -7.049 -2.346 1.00 0.00 C ATOM 430 C THR A 119 4.997 -5.713 -1.631 1.00 0.00 C ATOM 431 O THR A 119 4.408 -4.723 -2.007 1.00 0.00 O ATOM 432 CB THR A 119 6.061 -7.390 -3.171 1.00 0.00 C ATOM 433 OG1 THR A 119 5.873 -6.973 -4.514 1.00 0.00 O ATOM 434 CG2 THR A 119 6.310 -8.903 -3.135 1.00 0.00 C ATOM 0 H THR A 119 3.812 -6.548 -4.166 1.00 0.00 H new ATOM 0 HA THR A 119 4.659 -7.857 -1.630 1.00 0.00 H new ATOM 0 HB THR A 119 6.922 -6.873 -2.747 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.672 -7.190 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.198 -9.140 -3.721 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.460 -9.223 -2.104 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.449 -9.423 -3.555 1.00 0.00 H new ATOM 442 N LEU A 120 5.790 -5.670 -0.604 1.00 0.00 N ATOM 443 CA LEU A 120 5.974 -4.384 0.122 1.00 0.00 C ATOM 444 C LEU A 120 6.513 -3.313 -0.833 1.00 0.00 C ATOM 445 O LEU A 120 6.023 -2.201 -0.869 1.00 0.00 O ATOM 446 CB LEU A 120 6.965 -4.597 1.271 1.00 0.00 C ATOM 447 CG LEU A 120 7.161 -3.289 2.046 1.00 0.00 C ATOM 448 CD1 LEU A 120 5.957 -3.046 2.965 1.00 0.00 C ATOM 449 CD2 LEU A 120 8.443 -3.384 2.888 1.00 0.00 C ATOM 0 H LEU A 120 6.317 -6.462 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 120 5.015 -4.050 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.596 -5.374 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.921 -4.943 0.878 1.00 0.00 H new ATOM 0 HG LEU A 120 7.247 -2.460 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.100 -2.115 3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.049 -2.977 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.865 -3.872 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.585 -2.455 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.357 -4.214 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.298 -3.551 2.232 1.00 0.00 H new ATOM 461 N ALA A 121 7.520 -3.632 -1.596 1.00 0.00 N ATOM 462 CA ALA A 121 8.100 -2.627 -2.537 1.00 0.00 C ATOM 463 C ALA A 121 7.020 -2.085 -3.486 1.00 0.00 C ATOM 464 O ALA A 121 7.007 -0.915 -3.812 1.00 0.00 O ATOM 465 CB ALA A 121 9.217 -3.285 -3.356 1.00 0.00 C ATOM 0 H ALA A 121 7.970 -4.547 -1.611 1.00 0.00 H new ATOM 0 HA ALA A 121 8.502 -1.796 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.643 -2.554 -4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.995 -3.647 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.808 -4.122 -3.923 1.00 0.00 H new ATOM 471 N GLN A 122 6.129 -2.922 -3.947 1.00 0.00 N ATOM 472 CA GLN A 122 5.074 -2.449 -4.890 1.00 0.00 C ATOM 473 C GLN A 122 4.116 -1.488 -4.179 1.00 0.00 C ATOM 474 O GLN A 122 3.606 -0.560 -4.774 1.00 0.00 O ATOM 475 CB GLN A 122 4.305 -3.661 -5.425 1.00 0.00 C ATOM 476 CG GLN A 122 5.244 -4.511 -6.287 1.00 0.00 C ATOM 477 CD GLN A 122 4.454 -5.634 -6.960 1.00 0.00 C ATOM 478 OE1 GLN A 122 3.933 -6.508 -6.295 1.00 0.00 O ATOM 479 NE2 GLN A 122 4.339 -5.644 -8.260 1.00 0.00 N ATOM 0 H GLN A 122 6.086 -3.913 -3.711 1.00 0.00 H new ATOM 0 HA GLN A 122 5.540 -1.916 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 122 3.915 -4.254 -4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 122 3.448 -3.333 -6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.723 -3.888 -7.042 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.038 -4.932 -5.670 1.00 0.00 H new ATOM 0 HE21 GLN A 122 4.777 -4.910 -8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 122 3.811 -6.386 -8.720 1.00 0.00 H new ATOM 488 N ILE A 123 3.866 -1.690 -2.914 1.00 0.00 N ATOM 489 CA ILE A 123 2.945 -0.770 -2.186 1.00 0.00 C ATOM 490 C ILE A 123 3.536 0.643 -2.175 1.00 0.00 C ATOM 491 O ILE A 123 2.842 1.617 -2.387 1.00 0.00 O ATOM 492 CB ILE A 123 2.765 -1.263 -0.743 1.00 0.00 C ATOM 493 CG1 ILE A 123 2.170 -2.674 -0.760 1.00 0.00 C ATOM 494 CG2 ILE A 123 1.824 -0.333 0.030 1.00 0.00 C ATOM 495 CD1 ILE A 123 2.009 -3.185 0.676 1.00 0.00 C ATOM 0 H ILE A 123 4.257 -2.448 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 123 1.977 -0.753 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 123 3.738 -1.270 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.203 -2.665 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 123 2.817 -3.345 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.709 -0.698 1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.243 0.673 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.851 -0.311 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.585 -4.189 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.983 -3.210 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.344 -2.520 1.227 1.00 0.00 H new ATOM 507 N TYR A 124 4.811 0.762 -1.924 1.00 0.00 N ATOM 508 CA TYR A 124 5.443 2.114 -1.892 1.00 0.00 C ATOM 509 C TYR A 124 5.272 2.810 -3.247 1.00 0.00 C ATOM 510 O TYR A 124 4.823 3.937 -3.327 1.00 0.00 O ATOM 511 CB TYR A 124 6.941 1.970 -1.612 1.00 0.00 C ATOM 512 CG TYR A 124 7.187 1.311 -0.268 1.00 0.00 C ATOM 513 CD1 TYR A 124 6.329 1.539 0.820 1.00 0.00 C ATOM 514 CD2 TYR A 124 8.304 0.480 -0.110 1.00 0.00 C ATOM 515 CE1 TYR A 124 6.596 0.939 2.058 1.00 0.00 C ATOM 516 CE2 TYR A 124 8.565 -0.121 1.128 1.00 0.00 C ATOM 517 CZ TYR A 124 7.714 0.110 2.210 1.00 0.00 C ATOM 518 OH TYR A 124 7.976 -0.477 3.432 1.00 0.00 O ATOM 0 H TYR A 124 5.443 -0.017 -1.740 1.00 0.00 H new ATOM 0 HA TYR A 124 4.963 2.704 -1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.406 1.378 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 124 7.413 2.952 -1.630 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.465 2.176 0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 124 8.966 0.302 -0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 124 5.938 1.116 2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 124 9.425 -0.763 1.245 1.00 0.00 H new ATOM 0 HH TYR A 124 8.425 0.170 4.016 1.00 0.00 H new ATOM 528 N GLU A 125 5.650 2.151 -4.306 1.00 0.00 N ATOM 529 CA GLU A 125 5.543 2.763 -5.663 1.00 0.00 C ATOM 530 C GLU A 125 4.101 3.163 -5.975 1.00 0.00 C ATOM 531 O GLU A 125 3.848 4.188 -6.577 1.00 0.00 O ATOM 532 CB GLU A 125 5.998 1.738 -6.704 1.00 0.00 C ATOM 533 CG GLU A 125 7.470 1.389 -6.483 1.00 0.00 C ATOM 534 CD GLU A 125 7.868 0.253 -7.427 1.00 0.00 C ATOM 535 OE1 GLU A 125 7.111 -0.699 -7.525 1.00 0.00 O ATOM 536 OE2 GLU A 125 8.921 0.352 -8.039 1.00 0.00 O ATOM 0 H GLU A 125 6.032 1.205 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 125 6.169 3.655 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.387 0.838 -6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.857 2.139 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.094 2.264 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.633 1.091 -5.447 1.00 0.00 H new ATOM 543 N TRP A 126 3.158 2.352 -5.600 1.00 0.00 N ATOM 544 CA TRP A 126 1.738 2.665 -5.911 1.00 0.00 C ATOM 545 C TRP A 126 1.318 3.991 -5.264 1.00 0.00 C ATOM 546 O TRP A 126 0.786 4.865 -5.920 1.00 0.00 O ATOM 547 CB TRP A 126 0.859 1.530 -5.391 1.00 0.00 C ATOM 548 CG TRP A 126 -0.557 1.779 -5.778 1.00 0.00 C ATOM 549 CD1 TRP A 126 -1.124 1.398 -6.946 1.00 0.00 C ATOM 550 CD2 TRP A 126 -1.597 2.449 -5.015 1.00 0.00 C ATOM 551 NE1 TRP A 126 -2.449 1.798 -6.949 1.00 0.00 N ATOM 552 CE2 TRP A 126 -2.786 2.449 -5.778 1.00 0.00 C ATOM 553 CE3 TRP A 126 -1.620 3.052 -3.746 1.00 0.00 C ATOM 554 CZ2 TRP A 126 -3.961 3.029 -5.300 1.00 0.00 C ATOM 555 CZ3 TRP A 126 -2.800 3.637 -3.260 1.00 0.00 C ATOM 556 CH2 TRP A 126 -3.968 3.624 -4.036 1.00 0.00 C ATOM 0 H TRP A 126 3.308 1.482 -5.089 1.00 0.00 H new ATOM 0 HA TRP A 126 1.621 2.764 -6.990 1.00 0.00 H new ATOM 0 HB2 TRP A 126 1.197 0.578 -5.800 1.00 0.00 H new ATOM 0 HB3 TRP A 126 0.943 1.459 -4.307 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -0.625 0.869 -7.744 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.096 1.633 -7.720 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -0.725 3.065 -3.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -4.858 3.018 -5.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -2.808 4.099 -2.284 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -4.873 4.074 -3.656 1.00 0.00 H new ATOM 567 N MET A 127 1.548 4.158 -3.992 1.00 0.00 N ATOM 568 CA MET A 127 1.147 5.440 -3.336 1.00 0.00 C ATOM 569 C MET A 127 1.796 6.622 -4.056 1.00 0.00 C ATOM 570 O MET A 127 1.162 7.621 -4.328 1.00 0.00 O ATOM 571 CB MET A 127 1.582 5.447 -1.869 1.00 0.00 C ATOM 572 CG MET A 127 0.719 4.470 -1.071 1.00 0.00 C ATOM 573 SD MET A 127 1.025 4.707 0.699 1.00 0.00 S ATOM 574 CE MET A 127 -0.197 3.517 1.304 1.00 0.00 C ATOM 0 H MET A 127 1.991 3.472 -3.381 1.00 0.00 H new ATOM 0 HA MET A 127 0.062 5.529 -3.390 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.633 5.168 -1.790 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.487 6.451 -1.456 1.00 0.00 H new ATOM 0 HG2 MET A 127 -0.335 4.633 -1.294 1.00 0.00 H new ATOM 0 HG3 MET A 127 0.951 3.444 -1.358 1.00 0.00 H new ATOM 0 HE1 MET A 127 -0.346 3.661 2.374 1.00 0.00 H new ATOM 0 HE2 MET A 127 -1.142 3.669 0.782 1.00 0.00 H new ATOM 0 HE3 MET A 127 0.160 2.504 1.120 1.00 0.00 H new ATOM 584 N VAL A 128 3.057 6.516 -4.363 1.00 0.00 N ATOM 585 CA VAL A 128 3.752 7.631 -5.060 1.00 0.00 C ATOM 586 C VAL A 128 3.190 7.785 -6.478 1.00 0.00 C ATOM 587 O VAL A 128 3.055 8.879 -6.990 1.00 0.00 O ATOM 588 CB VAL A 128 5.251 7.315 -5.118 1.00 0.00 C ATOM 589 CG1 VAL A 128 5.978 8.399 -5.911 1.00 0.00 C ATOM 590 CG2 VAL A 128 5.817 7.270 -3.694 1.00 0.00 C ATOM 0 H VAL A 128 3.638 5.702 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 128 3.595 8.565 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 128 5.395 6.350 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 128 7.043 8.170 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.579 8.438 -6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.832 9.364 -5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.883 7.045 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.667 8.236 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 128 5.304 6.496 -3.123 1.00 0.00 H new ATOM 600 N ARG A 129 2.881 6.691 -7.120 1.00 0.00 N ATOM 601 CA ARG A 129 2.348 6.744 -8.516 1.00 0.00 C ATOM 602 C ARG A 129 0.896 7.239 -8.559 1.00 0.00 C ATOM 603 O ARG A 129 0.518 7.986 -9.437 1.00 0.00 O ATOM 604 CB ARG A 129 2.408 5.337 -9.109 1.00 0.00 C ATOM 605 CG ARG A 129 1.866 5.349 -10.544 1.00 0.00 C ATOM 606 CD ARG A 129 1.994 3.943 -11.150 1.00 0.00 C ATOM 607 NE ARG A 129 2.324 4.029 -12.607 1.00 0.00 N ATOM 608 CZ ARG A 129 1.719 4.882 -13.398 1.00 0.00 C ATOM 609 NH1 ARG A 129 0.787 5.672 -12.936 1.00 0.00 N ATOM 610 NH2 ARG A 129 2.037 4.924 -14.661 1.00 0.00 N ATOM 0 H ARG A 129 2.975 5.752 -6.734 1.00 0.00 H new ATOM 0 HA ARG A 129 2.956 7.444 -9.088 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.436 4.974 -9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.824 4.650 -8.497 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.823 5.665 -10.548 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.419 6.069 -11.147 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.771 3.385 -10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.061 3.395 -11.014 1.00 0.00 H new ATOM 0 HE ARG A 129 3.036 3.410 -12.994 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.524 5.629 -11.952 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.323 6.332 -13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 129 2.752 4.296 -15.028 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.571 5.585 -15.283 1.00 0.00 H new ATOM 624 N THR A 130 0.068 6.801 -7.654 1.00 0.00 N ATOM 625 CA THR A 130 -1.364 7.221 -7.694 1.00 0.00 C ATOM 626 C THR A 130 -1.562 8.574 -7.008 1.00 0.00 C ATOM 627 O THR A 130 -2.340 9.396 -7.449 1.00 0.00 O ATOM 628 CB THR A 130 -2.211 6.165 -6.979 1.00 0.00 C ATOM 629 OG1 THR A 130 -1.863 4.875 -7.461 1.00 0.00 O ATOM 630 CG2 THR A 130 -3.694 6.425 -7.242 1.00 0.00 C ATOM 0 H THR A 130 0.317 6.173 -6.890 1.00 0.00 H new ATOM 0 HA THR A 130 -1.670 7.317 -8.736 1.00 0.00 H new ATOM 0 HB THR A 130 -2.022 6.218 -5.907 1.00 0.00 H new ATOM 0 HG1 THR A 130 -2.078 4.203 -6.781 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.292 5.671 -6.731 1.00 0.00 H new ATOM 0 HG22 THR A 130 -3.962 7.414 -6.869 1.00 0.00 H new ATOM 0 HG23 THR A 130 -3.887 6.376 -8.314 1.00 0.00 H new ATOM 638 N VAL A 131 -0.889 8.802 -5.919 1.00 0.00 N ATOM 639 CA VAL A 131 -1.064 10.089 -5.187 1.00 0.00 C ATOM 640 C VAL A 131 -0.008 11.117 -5.633 1.00 0.00 C ATOM 641 O VAL A 131 1.176 10.849 -5.581 1.00 0.00 O ATOM 642 CB VAL A 131 -0.900 9.812 -3.696 1.00 0.00 C ATOM 643 CG1 VAL A 131 -1.323 11.041 -2.898 1.00 0.00 C ATOM 644 CG2 VAL A 131 -1.781 8.621 -3.310 1.00 0.00 C ATOM 0 H VAL A 131 -0.223 8.153 -5.501 1.00 0.00 H new ATOM 0 HA VAL A 131 -2.052 10.498 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 131 0.143 9.585 -3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -1.205 10.841 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.700 11.890 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.367 11.271 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.670 8.416 -2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -2.823 8.854 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.478 7.744 -3.882 1.00 0.00 H new ATOM 654 N PRO A 132 -0.420 12.300 -6.043 1.00 0.00 N ATOM 655 CA PRO A 132 0.534 13.364 -6.461 1.00 0.00 C ATOM 656 C PRO A 132 1.200 14.024 -5.248 1.00 0.00 C ATOM 657 O PRO A 132 2.305 14.520 -5.321 1.00 0.00 O ATOM 658 CB PRO A 132 -0.320 14.386 -7.225 1.00 0.00 C ATOM 659 CG PRO A 132 -1.757 14.079 -6.916 1.00 0.00 C ATOM 660 CD PRO A 132 -1.818 12.743 -6.158 1.00 0.00 C ATOM 0 HA PRO A 132 1.342 12.960 -7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.069 15.402 -6.921 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -0.134 14.319 -8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -2.194 14.876 -6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -2.338 14.019 -7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.273 12.868 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -2.420 12.011 -6.697 1.00 0.00 H new ATOM 668 N TYR A 133 0.527 14.022 -4.132 1.00 0.00 N ATOM 669 CA TYR A 133 1.103 14.638 -2.903 1.00 0.00 C ATOM 670 C TYR A 133 2.438 13.968 -2.573 1.00 0.00 C ATOM 671 O TYR A 133 3.351 14.596 -2.076 1.00 0.00 O ATOM 672 CB TYR A 133 0.126 14.442 -1.741 1.00 0.00 C ATOM 673 CG TYR A 133 0.704 15.032 -0.477 1.00 0.00 C ATOM 674 CD1 TYR A 133 1.519 14.247 0.347 1.00 0.00 C ATOM 675 CD2 TYR A 133 0.420 16.357 -0.126 1.00 0.00 C ATOM 676 CE1 TYR A 133 2.052 14.788 1.522 1.00 0.00 C ATOM 677 CE2 TYR A 133 0.955 16.898 1.050 1.00 0.00 C ATOM 678 CZ TYR A 133 1.769 16.114 1.874 1.00 0.00 C ATOM 679 OH TYR A 133 2.298 16.645 3.033 1.00 0.00 O ATOM 0 H TYR A 133 -0.403 13.618 -4.017 1.00 0.00 H new ATOM 0 HA TYR A 133 1.268 15.703 -3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -0.827 14.918 -1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 133 -0.074 13.380 -1.598 1.00 0.00 H new ATOM 0 HD1 TYR A 133 1.736 13.224 0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 133 -0.211 16.961 -0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 133 2.682 14.183 2.158 1.00 0.00 H new ATOM 0 HE2 TYR A 133 0.739 17.921 1.321 1.00 0.00 H new ATOM 0 HH TYR A 133 2.006 17.575 3.130 1.00 0.00 H new ATOM 689 N PHE A 134 2.559 12.696 -2.836 1.00 0.00 N ATOM 690 CA PHE A 134 3.836 11.989 -2.526 1.00 0.00 C ATOM 691 C PHE A 134 4.785 12.021 -3.734 1.00 0.00 C ATOM 692 O PHE A 134 5.955 11.727 -3.607 1.00 0.00 O ATOM 693 CB PHE A 134 3.533 10.537 -2.146 1.00 0.00 C ATOM 694 CG PHE A 134 3.073 10.474 -0.706 1.00 0.00 C ATOM 695 CD1 PHE A 134 3.982 10.717 0.333 1.00 0.00 C ATOM 696 CD2 PHE A 134 1.739 10.170 -0.408 1.00 0.00 C ATOM 697 CE1 PHE A 134 3.556 10.656 1.665 1.00 0.00 C ATOM 698 CE2 PHE A 134 1.315 10.109 0.925 1.00 0.00 C ATOM 699 CZ PHE A 134 2.224 10.352 1.961 1.00 0.00 C ATOM 0 H PHE A 134 1.831 12.115 -3.252 1.00 0.00 H new ATOM 0 HA PHE A 134 4.323 12.496 -1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 134 2.763 10.132 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.423 9.922 -2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 134 5.011 10.951 0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 134 1.037 9.982 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 134 4.257 10.844 2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 134 0.286 9.874 1.154 1.00 0.00 H new ATOM 0 HZ PHE A 134 1.896 10.305 2.989 1.00 0.00 H new ATOM 709 N LYS A 135 4.310 12.368 -4.902 1.00 0.00 N ATOM 710 CA LYS A 135 5.224 12.403 -6.088 1.00 0.00 C ATOM 711 C LYS A 135 6.354 13.398 -5.839 1.00 0.00 C ATOM 712 O LYS A 135 7.502 13.141 -6.145 1.00 0.00 O ATOM 713 CB LYS A 135 4.455 12.834 -7.340 1.00 0.00 C ATOM 714 CG LYS A 135 3.660 11.654 -7.893 1.00 0.00 C ATOM 715 CD LYS A 135 3.050 12.050 -9.240 1.00 0.00 C ATOM 716 CE LYS A 135 2.038 10.993 -9.679 1.00 0.00 C ATOM 717 NZ LYS A 135 0.816 11.096 -8.831 1.00 0.00 N ATOM 0 H LYS A 135 3.341 12.626 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 135 5.632 11.404 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 135 3.782 13.656 -7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.149 13.202 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 135 4.309 10.787 -8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 135 2.874 11.369 -7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 135 2.563 13.022 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.835 12.150 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 135 1.779 11.135 -10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 135 2.473 9.998 -9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.049 10.539 -9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.021 10.729 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 0.524 12.092 -8.762 1.00 0.00 H new ATOM 731 N ASP A 136 6.039 14.533 -5.286 1.00 0.00 N ATOM 732 CA ASP A 136 7.098 15.544 -5.023 1.00 0.00 C ATOM 733 C ASP A 136 8.088 14.955 -4.023 1.00 0.00 C ATOM 734 O ASP A 136 9.292 15.069 -4.169 1.00 0.00 O ATOM 735 CB ASP A 136 6.461 16.803 -4.426 1.00 0.00 C ATOM 736 CG ASP A 136 5.383 17.330 -5.375 1.00 0.00 C ATOM 737 OD1 ASP A 136 4.394 16.639 -5.562 1.00 0.00 O ATOM 738 OD2 ASP A 136 5.562 18.418 -5.898 1.00 0.00 O ATOM 0 H ASP A 136 5.097 14.805 -5.005 1.00 0.00 H new ATOM 0 HA ASP A 136 7.609 15.804 -5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 136 6.025 16.576 -3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 136 7.222 17.566 -4.264 1.00 0.00 H new ATOM 743 N LYS A 137 7.580 14.317 -3.009 1.00 0.00 N ATOM 744 CA LYS A 137 8.461 13.701 -1.983 1.00 0.00 C ATOM 745 C LYS A 137 9.037 12.388 -2.522 1.00 0.00 C ATOM 746 O LYS A 137 10.147 12.009 -2.210 1.00 0.00 O ATOM 747 CB LYS A 137 7.622 13.411 -0.738 1.00 0.00 C ATOM 748 CG LYS A 137 6.991 14.712 -0.236 1.00 0.00 C ATOM 749 CD LYS A 137 6.144 14.430 1.005 1.00 0.00 C ATOM 750 CE LYS A 137 5.645 15.754 1.586 1.00 0.00 C ATOM 751 NZ LYS A 137 6.815 16.614 1.922 1.00 0.00 N ATOM 0 H LYS A 137 6.581 14.195 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 137 9.280 14.378 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 137 6.845 12.683 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.246 12.972 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 137 7.770 15.437 0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.372 15.152 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.299 13.792 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 137 6.734 13.893 1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.001 16.260 0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.045 15.571 2.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 6.586 17.205 2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.635 16.014 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.041 17.225 1.111 1.00 0.00 H new ATOM 765 N GLY A 138 8.273 11.687 -3.313 1.00 0.00 N ATOM 766 CA GLY A 138 8.736 10.379 -3.866 1.00 0.00 C ATOM 767 C GLY A 138 10.025 10.536 -4.679 1.00 0.00 C ATOM 768 O GLY A 138 10.869 9.664 -4.674 1.00 0.00 O ATOM 0 H GLY A 138 7.336 11.966 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 138 8.903 9.677 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 138 7.956 9.954 -4.498 1.00 0.00 H new ATOM 772 N ASP A 139 10.189 11.619 -5.390 1.00 0.00 N ATOM 773 CA ASP A 139 11.426 11.781 -6.206 1.00 0.00 C ATOM 774 C ASP A 139 12.594 12.151 -5.292 1.00 0.00 C ATOM 775 O ASP A 139 13.657 12.522 -5.748 1.00 0.00 O ATOM 776 CB ASP A 139 11.215 12.880 -7.255 1.00 0.00 C ATOM 777 CG ASP A 139 11.410 14.259 -6.618 1.00 0.00 C ATOM 778 OD1 ASP A 139 11.240 14.365 -5.414 1.00 0.00 O ATOM 779 OD2 ASP A 139 11.726 15.186 -7.345 1.00 0.00 O ATOM 0 H ASP A 139 9.526 12.392 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 139 11.650 10.844 -6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 139 11.918 12.748 -8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 139 10.213 12.804 -7.676 1.00 0.00 H new ATOM 784 N SER A 140 12.401 12.063 -4.006 1.00 0.00 N ATOM 785 CA SER A 140 13.497 12.421 -3.067 1.00 0.00 C ATOM 786 C SER A 140 13.274 11.733 -1.719 1.00 0.00 C ATOM 787 O SER A 140 12.163 11.416 -1.346 1.00 0.00 O ATOM 788 CB SER A 140 13.503 13.935 -2.869 1.00 0.00 C ATOM 789 OG SER A 140 14.578 14.296 -2.010 1.00 0.00 O ATOM 0 H SER A 140 11.532 11.759 -3.566 1.00 0.00 H new ATOM 0 HA SER A 140 14.452 12.094 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 140 13.607 14.438 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 140 12.555 14.260 -2.440 1.00 0.00 H new ATOM 0 HG SER A 140 14.584 15.268 -1.884 1.00 0.00 H new ATOM 795 N ASN A 141 14.324 11.515 -0.978 1.00 0.00 N ATOM 796 CA ASN A 141 14.174 10.865 0.353 1.00 0.00 C ATOM 797 C ASN A 141 14.179 11.949 1.432 1.00 0.00 C ATOM 798 O ASN A 141 14.579 11.724 2.555 1.00 0.00 O ATOM 799 CB ASN A 141 15.331 9.888 0.582 1.00 0.00 C ATOM 800 CG ASN A 141 16.661 10.603 0.343 1.00 0.00 C ATOM 801 OD1 ASN A 141 16.729 11.815 0.378 1.00 0.00 O ATOM 802 ND2 ASN A 141 17.730 9.896 0.094 1.00 0.00 N ATOM 0 H ASN A 141 15.280 11.759 -1.237 1.00 0.00 H new ATOM 0 HA ASN A 141 13.236 10.311 0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 141 15.294 9.497 1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 141 15.239 9.035 -0.091 1.00 0.00 H new ATOM 0 HD21 ASN A 141 18.622 10.362 -0.071 1.00 0.00 H new ATOM 0 HD22 ASN A 141 17.673 8.878 0.065 1.00 0.00 H new ATOM 809 N SER A 142 13.737 13.130 1.088 1.00 0.00 N ATOM 810 CA SER A 142 13.712 14.244 2.079 1.00 0.00 C ATOM 811 C SER A 142 12.731 13.907 3.207 1.00 0.00 C ATOM 812 O SER A 142 13.045 14.035 4.375 1.00 0.00 O ATOM 813 CB SER A 142 13.269 15.530 1.376 1.00 0.00 C ATOM 814 OG SER A 142 13.832 16.652 2.043 1.00 0.00 O ATOM 0 H SER A 142 13.391 13.371 0.159 1.00 0.00 H new ATOM 0 HA SER A 142 14.707 14.383 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 142 13.587 15.516 0.334 1.00 0.00 H new ATOM 0 HB3 SER A 142 12.181 15.601 1.376 1.00 0.00 H new ATOM 0 HG SER A 142 13.550 17.476 1.593 1.00 0.00 H new ATOM 820 N SER A 143 11.546 13.471 2.863 1.00 0.00 N ATOM 821 CA SER A 143 10.535 13.115 3.904 1.00 0.00 C ATOM 822 C SER A 143 10.069 11.677 3.675 1.00 0.00 C ATOM 823 O SER A 143 9.038 11.265 4.154 1.00 0.00 O ATOM 824 CB SER A 143 9.337 14.063 3.798 1.00 0.00 C ATOM 825 OG SER A 143 9.062 14.317 2.429 1.00 0.00 O ATOM 0 H SER A 143 11.234 13.346 1.900 1.00 0.00 H new ATOM 0 HA SER A 143 10.979 13.205 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 143 8.465 13.622 4.281 1.00 0.00 H new ATOM 0 HB3 SER A 143 9.550 14.997 4.318 1.00 0.00 H new ATOM 0 HG SER A 143 9.424 15.193 2.180 1.00 0.00 H new ATOM 831 N ALA A 144 10.831 10.913 2.943 1.00 0.00 N ATOM 832 CA ALA A 144 10.440 9.499 2.669 1.00 0.00 C ATOM 833 C ALA A 144 10.204 8.749 3.986 1.00 0.00 C ATOM 834 O ALA A 144 9.903 7.570 3.992 1.00 0.00 O ATOM 835 CB ALA A 144 11.565 8.812 1.889 1.00 0.00 C ATOM 0 H ALA A 144 11.712 11.207 2.520 1.00 0.00 H new ATOM 0 HA ALA A 144 9.519 9.488 2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 144 11.287 7.778 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 144 11.728 9.337 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 144 12.481 8.832 2.479 1.00 0.00 H new ATOM 841 N GLY A 145 10.347 9.413 5.101 1.00 0.00 N ATOM 842 CA GLY A 145 10.138 8.728 6.410 1.00 0.00 C ATOM 843 C GLY A 145 8.721 8.147 6.489 1.00 0.00 C ATOM 844 O GLY A 145 8.515 7.080 7.033 1.00 0.00 O ATOM 0 H GLY A 145 10.599 10.399 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 145 10.872 7.931 6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 145 10.295 9.433 7.226 1.00 0.00 H new ATOM 848 N TRP A 146 7.740 8.835 5.967 1.00 0.00 N ATOM 849 CA TRP A 146 6.346 8.304 6.037 1.00 0.00 C ATOM 850 C TRP A 146 6.322 6.855 5.547 1.00 0.00 C ATOM 851 O TRP A 146 5.475 6.078 5.934 1.00 0.00 O ATOM 852 CB TRP A 146 5.413 9.157 5.171 1.00 0.00 C ATOM 853 CG TRP A 146 6.047 9.390 3.839 1.00 0.00 C ATOM 854 CD1 TRP A 146 6.691 10.519 3.480 1.00 0.00 C ATOM 855 CD2 TRP A 146 6.108 8.500 2.688 1.00 0.00 C ATOM 856 NE1 TRP A 146 7.156 10.380 2.186 1.00 0.00 N ATOM 857 CE2 TRP A 146 6.819 9.152 1.653 1.00 0.00 C ATOM 858 CE3 TRP A 146 5.622 7.205 2.445 1.00 0.00 C ATOM 859 CZ2 TRP A 146 7.045 8.537 0.420 1.00 0.00 C ATOM 860 CZ3 TRP A 146 5.846 6.582 1.205 1.00 0.00 C ATOM 861 CH2 TRP A 146 6.556 7.247 0.195 1.00 0.00 C ATOM 0 H TRP A 146 7.842 9.735 5.498 1.00 0.00 H new ATOM 0 HA TRP A 146 6.003 8.343 7.071 1.00 0.00 H new ATOM 0 HB2 TRP A 146 4.454 8.654 5.047 1.00 0.00 H new ATOM 0 HB3 TRP A 146 5.213 10.109 5.662 1.00 0.00 H new ATOM 0 HD1 TRP A 146 6.822 11.391 4.103 1.00 0.00 H new ATOM 0 HE1 TRP A 146 7.683 11.096 1.686 1.00 0.00 H new ATOM 0 HE3 TRP A 146 5.073 6.685 3.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 7.593 9.054 -0.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 5.469 5.585 1.029 1.00 0.00 H new ATOM 0 HH2 TRP A 146 6.725 6.763 -0.756 1.00 0.00 H new ATOM 872 N LYS A 147 7.245 6.477 4.706 1.00 0.00 N ATOM 873 CA LYS A 147 7.254 5.069 4.213 1.00 0.00 C ATOM 874 C LYS A 147 7.369 4.130 5.410 1.00 0.00 C ATOM 875 O LYS A 147 6.618 3.183 5.544 1.00 0.00 O ATOM 876 CB LYS A 147 8.452 4.857 3.286 1.00 0.00 C ATOM 877 CG LYS A 147 8.342 3.482 2.626 1.00 0.00 C ATOM 878 CD LYS A 147 9.599 3.207 1.794 1.00 0.00 C ATOM 879 CE LYS A 147 10.777 2.860 2.713 1.00 0.00 C ATOM 880 NZ LYS A 147 11.470 4.114 3.125 1.00 0.00 N ATOM 0 H LYS A 147 7.987 7.075 4.341 1.00 0.00 H new ATOM 0 HA LYS A 147 6.335 4.864 3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 147 8.481 5.637 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.381 4.929 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 147 8.222 2.711 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 147 7.457 3.443 1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 147 9.414 2.385 1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 147 9.844 4.082 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 147 10.421 2.323 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 147 11.473 2.200 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 12.485 4.035 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 11.070 4.919 2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 11.339 4.264 4.146 1.00 0.00 H new ATOM 894 N ASN A 148 8.296 4.394 6.287 1.00 0.00 N ATOM 895 CA ASN A 148 8.452 3.528 7.483 1.00 0.00 C ATOM 896 C ASN A 148 7.139 3.535 8.269 1.00 0.00 C ATOM 897 O ASN A 148 6.809 2.590 8.956 1.00 0.00 O ATOM 898 CB ASN A 148 9.596 4.061 8.348 1.00 0.00 C ATOM 899 CG ASN A 148 10.876 4.111 7.508 1.00 0.00 C ATOM 900 OD1 ASN A 148 11.279 5.165 7.056 1.00 0.00 O ATOM 901 ND2 ASN A 148 11.537 3.009 7.272 1.00 0.00 N ATOM 0 H ASN A 148 8.952 5.173 6.225 1.00 0.00 H new ATOM 0 HA ASN A 148 8.687 2.506 7.185 1.00 0.00 H new ATOM 0 HB2 ASN A 148 9.353 5.055 8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 148 9.741 3.419 9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 148 12.388 3.035 6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 148 11.202 2.123 7.650 1.00 0.00 H new ATOM 908 N SER A 149 6.378 4.594 8.160 1.00 0.00 N ATOM 909 CA SER A 149 5.077 4.651 8.885 1.00 0.00 C ATOM 910 C SER A 149 4.226 3.466 8.444 1.00 0.00 C ATOM 911 O SER A 149 3.619 2.779 9.240 1.00 0.00 O ATOM 912 CB SER A 149 4.346 5.943 8.524 1.00 0.00 C ATOM 913 OG SER A 149 3.713 5.789 7.259 1.00 0.00 O ATOM 0 H SER A 149 6.602 5.418 7.602 1.00 0.00 H new ATOM 0 HA SER A 149 5.251 4.619 9.961 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.605 6.180 9.287 1.00 0.00 H new ATOM 0 HB3 SER A 149 5.049 6.775 8.492 1.00 0.00 H new ATOM 0 HG SER A 149 4.324 6.078 6.550 1.00 0.00 H new ATOM 919 N ILE A 150 4.185 3.231 7.166 1.00 0.00 N ATOM 920 CA ILE A 150 3.383 2.098 6.629 1.00 0.00 C ATOM 921 C ILE A 150 3.906 0.777 7.209 1.00 0.00 C ATOM 922 O ILE A 150 3.140 -0.086 7.592 1.00 0.00 O ATOM 923 CB ILE A 150 3.509 2.087 5.101 1.00 0.00 C ATOM 924 CG1 ILE A 150 3.038 3.438 4.550 1.00 0.00 C ATOM 925 CG2 ILE A 150 2.643 0.966 4.505 1.00 0.00 C ATOM 926 CD1 ILE A 150 3.341 3.514 3.053 1.00 0.00 C ATOM 0 H ILE A 150 4.678 3.780 6.462 1.00 0.00 H new ATOM 0 HA ILE A 150 2.336 2.214 6.910 1.00 0.00 H new ATOM 0 HB ILE A 150 4.550 1.913 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 150 1.968 3.559 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.539 4.251 5.075 1.00 0.00 H new ATOM 0 HG21 ILE A 150 2.741 0.969 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 150 2.973 0.004 4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 150 1.600 1.129 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 150 3.006 4.475 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 150 4.414 3.412 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 150 2.819 2.710 2.535 1.00 0.00 H new ATOM 938 N ARG A 151 5.202 0.613 7.288 1.00 0.00 N ATOM 939 CA ARG A 151 5.755 -0.653 7.857 1.00 0.00 C ATOM 940 C ARG A 151 5.117 -0.918 9.225 1.00 0.00 C ATOM 941 O ARG A 151 4.792 -2.038 9.566 1.00 0.00 O ATOM 942 CB ARG A 151 7.274 -0.525 8.032 1.00 0.00 C ATOM 943 CG ARG A 151 7.975 -0.622 6.671 1.00 0.00 C ATOM 944 CD ARG A 151 9.491 -0.731 6.887 1.00 0.00 C ATOM 945 NE ARG A 151 10.183 -0.937 5.581 1.00 0.00 N ATOM 946 CZ ARG A 151 11.472 -0.740 5.488 1.00 0.00 C ATOM 947 NH1 ARG A 151 12.151 -0.338 6.528 1.00 0.00 N ATOM 948 NH2 ARG A 151 12.087 -0.952 4.353 1.00 0.00 N ATOM 0 H ARG A 151 5.897 1.296 6.985 1.00 0.00 H new ATOM 0 HA ARG A 151 5.534 -1.476 7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 151 7.514 0.427 8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 151 7.639 -1.311 8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 151 7.611 -1.491 6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 151 7.744 0.256 6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 151 9.864 0.175 7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 151 9.711 -1.561 7.559 1.00 0.00 H new ATOM 0 HE ARG A 151 9.651 -1.231 4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 151 11.676 -0.177 7.416 1.00 0.00 H new ATOM 0 HH12 ARG A 151 13.157 -0.185 6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 151 11.561 -1.271 3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 151 13.093 -0.798 4.281 1.00 0.00 H new ATOM 962 N HIS A 152 4.947 0.108 10.014 1.00 0.00 N ATOM 963 CA HIS A 152 4.341 -0.067 11.366 1.00 0.00 C ATOM 964 C HIS A 152 2.889 -0.522 11.250 1.00 0.00 C ATOM 965 O HIS A 152 2.431 -1.368 11.989 1.00 0.00 O ATOM 966 CB HIS A 152 4.363 1.269 12.101 1.00 0.00 C ATOM 967 CG HIS A 152 5.780 1.690 12.350 1.00 0.00 C ATOM 968 ND1 HIS A 152 6.799 0.779 12.583 1.00 0.00 N ATOM 969 CD2 HIS A 152 6.357 2.929 12.417 1.00 0.00 C ATOM 970 CE1 HIS A 152 7.931 1.480 12.781 1.00 0.00 C ATOM 971 NE2 HIS A 152 7.713 2.794 12.692 1.00 0.00 N ATOM 0 H HIS A 152 5.204 1.067 9.779 1.00 0.00 H new ATOM 0 HA HIS A 152 4.915 -0.819 11.907 1.00 0.00 H new ATOM 0 HB2 HIS A 152 3.847 2.027 11.511 1.00 0.00 H new ATOM 0 HB3 HIS A 152 3.828 1.183 13.047 1.00 0.00 H new ATOM 0 HD2 HIS A 152 5.839 3.866 12.278 1.00 0.00 H new ATOM 0 HE1 HIS A 152 8.894 1.036 12.986 1.00 0.00 H new ATOM 0 HE2 HIS A 152 8.398 3.542 12.803 1.00 0.00 H new ATOM 980 N ASN A 153 2.156 0.053 10.345 1.00 0.00 N ATOM 981 CA ASN A 153 0.725 -0.322 10.204 1.00 0.00 C ATOM 982 C ASN A 153 0.608 -1.750 9.670 1.00 0.00 C ATOM 983 O ASN A 153 -0.201 -2.529 10.134 1.00 0.00 O ATOM 984 CB ASN A 153 0.055 0.661 9.241 1.00 0.00 C ATOM 985 CG ASN A 153 0.093 2.063 9.855 1.00 0.00 C ATOM 986 OD1 ASN A 153 -0.886 2.524 10.407 1.00 0.00 O ATOM 987 ND2 ASN A 153 1.198 2.761 9.791 1.00 0.00 N ATOM 0 H ASN A 153 2.485 0.767 9.695 1.00 0.00 H new ATOM 0 HA ASN A 153 0.232 -0.279 11.175 1.00 0.00 H new ATOM 0 HB2 ASN A 153 0.569 0.657 8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -0.976 0.360 9.052 1.00 0.00 H new ATOM 0 HD21 ASN A 153 1.238 3.692 10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 153 2.020 2.374 9.327 1.00 0.00 H new ATOM 994 N LEU A 154 1.406 -2.109 8.707 1.00 0.00 N ATOM 995 CA LEU A 154 1.327 -3.494 8.168 1.00 0.00 C ATOM 996 C LEU A 154 1.615 -4.504 9.287 1.00 0.00 C ATOM 997 O LEU A 154 0.992 -5.544 9.369 1.00 0.00 O ATOM 998 CB LEU A 154 2.356 -3.671 7.045 1.00 0.00 C ATOM 999 CG LEU A 154 2.039 -2.717 5.884 1.00 0.00 C ATOM 1000 CD1 LEU A 154 3.094 -2.879 4.778 1.00 0.00 C ATOM 1001 CD2 LEU A 154 0.648 -3.036 5.315 1.00 0.00 C ATOM 0 H LEU A 154 2.106 -1.508 8.271 1.00 0.00 H new ATOM 0 HA LEU A 154 0.326 -3.666 7.774 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.358 -3.473 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 154 2.347 -4.702 6.692 1.00 0.00 H new ATOM 0 HG LEU A 154 2.053 -1.691 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 154 2.866 -2.201 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 154 4.080 -2.645 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 154 3.085 -3.906 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.427 -2.357 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 154 0.630 -4.064 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -0.102 -2.914 6.097 1.00 0.00 H new ATOM 1013 N SER A 155 2.571 -4.218 10.134 1.00 0.00 N ATOM 1014 CA SER A 155 2.918 -5.177 11.228 1.00 0.00 C ATOM 1015 C SER A 155 2.070 -4.947 12.490 1.00 0.00 C ATOM 1016 O SER A 155 1.689 -5.888 13.161 1.00 0.00 O ATOM 1017 CB SER A 155 4.395 -5.014 11.586 1.00 0.00 C ATOM 1018 OG SER A 155 4.565 -3.838 12.364 1.00 0.00 O ATOM 0 H SER A 155 3.126 -3.363 10.116 1.00 0.00 H new ATOM 0 HA SER A 155 2.713 -6.184 10.865 1.00 0.00 H new ATOM 0 HB2 SER A 155 4.744 -5.884 12.142 1.00 0.00 H new ATOM 0 HB3 SER A 155 4.996 -4.953 10.679 1.00 0.00 H new ATOM 0 HG SER A 155 5.511 -3.733 12.595 1.00 0.00 H new ATOM 1024 N LEU A 156 1.807 -3.719 12.854 1.00 0.00 N ATOM 1025 CA LEU A 156 1.028 -3.474 14.109 1.00 0.00 C ATOM 1026 C LEU A 156 -0.448 -3.849 13.939 1.00 0.00 C ATOM 1027 O LEU A 156 -1.075 -4.320 14.867 1.00 0.00 O ATOM 1028 CB LEU A 156 1.142 -1.997 14.508 1.00 0.00 C ATOM 1029 CG LEU A 156 2.586 -1.684 14.922 1.00 0.00 C ATOM 1030 CD1 LEU A 156 2.720 -0.186 15.216 1.00 0.00 C ATOM 1031 CD2 LEU A 156 2.954 -2.481 16.183 1.00 0.00 C ATOM 0 H LEU A 156 2.093 -2.883 12.345 1.00 0.00 H new ATOM 0 HA LEU A 156 1.447 -4.105 14.893 1.00 0.00 H new ATOM 0 HB2 LEU A 156 0.847 -1.361 13.674 1.00 0.00 H new ATOM 0 HB3 LEU A 156 0.462 -1.779 15.331 1.00 0.00 H new ATOM 0 HG LEU A 156 3.257 -1.963 14.110 1.00 0.00 H new ATOM 0 HD11 LEU A 156 3.746 0.037 15.510 1.00 0.00 H new ATOM 0 HD12 LEU A 156 2.467 0.384 14.322 1.00 0.00 H new ATOM 0 HD13 LEU A 156 2.043 0.088 16.025 1.00 0.00 H new ATOM 0 HD21 LEU A 156 3.980 -2.253 16.471 1.00 0.00 H new ATOM 0 HD22 LEU A 156 2.281 -2.208 16.995 1.00 0.00 H new ATOM 0 HD23 LEU A 156 2.862 -3.548 15.979 1.00 0.00 H new ATOM 1043 N HIS A 157 -1.018 -3.657 12.783 1.00 0.00 N ATOM 1044 CA HIS A 157 -2.455 -4.021 12.609 1.00 0.00 C ATOM 1045 C HIS A 157 -2.564 -5.456 12.102 1.00 0.00 C ATOM 1046 O HIS A 157 -1.981 -5.816 11.097 1.00 0.00 O ATOM 1047 CB HIS A 157 -3.114 -3.090 11.591 1.00 0.00 C ATOM 1048 CG HIS A 157 -3.204 -1.700 12.152 1.00 0.00 C ATOM 1049 ND1 HIS A 157 -3.961 -1.396 13.275 1.00 0.00 N ATOM 1050 CD2 HIS A 157 -2.646 -0.517 11.744 1.00 0.00 C ATOM 1051 CE1 HIS A 157 -3.836 -0.075 13.501 1.00 0.00 C ATOM 1052 NE2 HIS A 157 -3.046 0.504 12.597 1.00 0.00 N ATOM 0 H HIS A 157 -0.560 -3.269 11.959 1.00 0.00 H new ATOM 0 HA HIS A 157 -2.958 -3.925 13.571 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -2.537 -3.082 10.666 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -4.110 -3.456 11.342 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.995 -0.397 10.891 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -4.316 0.450 14.313 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -2.789 1.490 12.543 1.00 0.00 H new ATOM 1061 N SER A 158 -3.322 -6.275 12.772 1.00 0.00 N ATOM 1062 CA SER A 158 -3.478 -7.676 12.302 1.00 0.00 C ATOM 1063 C SER A 158 -4.271 -7.649 10.995 1.00 0.00 C ATOM 1064 O SER A 158 -4.388 -8.637 10.299 1.00 0.00 O ATOM 1065 CB SER A 158 -4.227 -8.495 13.354 1.00 0.00 C ATOM 1066 OG SER A 158 -3.511 -8.448 14.581 1.00 0.00 O ATOM 0 H SER A 158 -3.837 -6.037 13.619 1.00 0.00 H new ATOM 0 HA SER A 158 -2.503 -8.135 12.141 1.00 0.00 H new ATOM 0 HB2 SER A 158 -5.233 -8.099 13.491 1.00 0.00 H new ATOM 0 HB3 SER A 158 -4.333 -9.527 13.021 1.00 0.00 H new ATOM 0 HG SER A 158 -3.989 -8.970 15.259 1.00 0.00 H new ATOM 1072 N LYS A 159 -4.809 -6.508 10.660 1.00 0.00 N ATOM 1073 CA LYS A 159 -5.590 -6.380 9.397 1.00 0.00 C ATOM 1074 C LYS A 159 -4.759 -6.922 8.232 1.00 0.00 C ATOM 1075 O LYS A 159 -5.283 -7.455 7.276 1.00 0.00 O ATOM 1076 CB LYS A 159 -5.903 -4.901 9.149 1.00 0.00 C ATOM 1077 CG LYS A 159 -6.865 -4.763 7.965 1.00 0.00 C ATOM 1078 CD LYS A 159 -6.785 -3.338 7.412 1.00 0.00 C ATOM 1079 CE LYS A 159 -7.973 -3.071 6.486 1.00 0.00 C ATOM 1080 NZ LYS A 159 -8.084 -1.605 6.236 1.00 0.00 N ATOM 0 H LYS A 159 -4.740 -5.653 11.211 1.00 0.00 H new ATOM 0 HA LYS A 159 -6.518 -6.945 9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -6.346 -4.459 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -4.982 -4.354 8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -6.608 -5.482 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -7.884 -4.986 8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -6.784 -2.620 8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -5.851 -3.202 6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -7.841 -3.603 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -8.892 -3.445 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -8.891 -1.420 5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -8.228 -1.109 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -7.210 -1.262 5.788 1.00 0.00 H new ATOM 1094 N PHE A 160 -3.465 -6.775 8.304 1.00 0.00 N ATOM 1095 CA PHE A 160 -2.587 -7.268 7.204 1.00 0.00 C ATOM 1096 C PHE A 160 -1.990 -8.618 7.597 1.00 0.00 C ATOM 1097 O PHE A 160 -1.733 -8.877 8.755 1.00 0.00 O ATOM 1098 CB PHE A 160 -1.470 -6.251 6.973 1.00 0.00 C ATOM 1099 CG PHE A 160 -2.086 -4.920 6.614 1.00 0.00 C ATOM 1100 CD1 PHE A 160 -2.412 -4.639 5.283 1.00 0.00 C ATOM 1101 CD2 PHE A 160 -2.340 -3.975 7.614 1.00 0.00 C ATOM 1102 CE1 PHE A 160 -2.989 -3.410 4.949 1.00 0.00 C ATOM 1103 CE2 PHE A 160 -2.918 -2.744 7.281 1.00 0.00 C ATOM 1104 CZ PHE A 160 -3.242 -2.462 5.949 1.00 0.00 C ATOM 0 H PHE A 160 -2.975 -6.332 9.081 1.00 0.00 H new ATOM 0 HA PHE A 160 -3.165 -7.390 6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -0.858 -6.153 7.870 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -0.812 -6.590 6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -2.218 -5.371 4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -2.091 -4.195 8.642 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -3.239 -3.192 3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -3.114 -2.013 8.051 1.00 0.00 H new ATOM 0 HZ PHE A 160 -3.688 -1.512 5.692 1.00 0.00 H new ATOM 1114 N ILE A 161 -1.772 -9.484 6.643 1.00 0.00 N ATOM 1115 CA ILE A 161 -1.201 -10.826 6.961 1.00 0.00 C ATOM 1116 C ILE A 161 0.093 -11.033 6.165 1.00 0.00 C ATOM 1117 O ILE A 161 0.215 -10.602 5.033 1.00 0.00 O ATOM 1118 CB ILE A 161 -2.231 -11.898 6.600 1.00 0.00 C ATOM 1119 CG1 ILE A 161 -2.267 -12.103 5.079 1.00 0.00 C ATOM 1120 CG2 ILE A 161 -3.613 -11.439 7.071 1.00 0.00 C ATOM 1121 CD1 ILE A 161 -3.493 -12.946 4.699 1.00 0.00 C ATOM 0 H ILE A 161 -1.965 -9.320 5.655 1.00 0.00 H new ATOM 0 HA ILE A 161 -0.968 -10.895 8.024 1.00 0.00 H new ATOM 0 HB ILE A 161 -1.957 -12.836 7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -2.306 -11.138 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.355 -12.600 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.354 -12.197 6.818 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.599 -11.292 8.151 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -3.872 -10.501 6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -3.515 -13.089 3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -3.435 -13.916 5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -4.400 -12.432 5.015 1.00 0.00 H new ATOM 1133 N LYS A 162 1.069 -11.672 6.761 1.00 0.00 N ATOM 1134 CA LYS A 162 2.369 -11.891 6.059 1.00 0.00 C ATOM 1135 C LYS A 162 2.311 -13.160 5.197 1.00 0.00 C ATOM 1136 O LYS A 162 1.714 -14.150 5.570 1.00 0.00 O ATOM 1137 CB LYS A 162 3.481 -12.037 7.104 1.00 0.00 C ATOM 1138 CG LYS A 162 4.843 -11.762 6.457 1.00 0.00 C ATOM 1139 CD LYS A 162 5.063 -10.247 6.346 1.00 0.00 C ATOM 1140 CE LYS A 162 6.490 -9.952 5.865 1.00 0.00 C ATOM 1141 NZ LYS A 162 7.180 -9.097 6.870 1.00 0.00 N ATOM 0 H LYS A 162 1.020 -12.052 7.706 1.00 0.00 H new ATOM 0 HA LYS A 162 2.570 -11.039 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 162 3.312 -11.342 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 162 3.465 -13.042 7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 162 5.637 -12.212 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.887 -12.220 5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.341 -9.817 5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.893 -9.776 7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 162 7.039 -10.883 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.464 -9.449 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 8.080 -8.755 6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 6.576 -8.285 7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 7.367 -9.653 7.729 1.00 0.00 H new ATOM 1155 N VAL A 163 2.938 -13.131 4.045 1.00 0.00 N ATOM 1156 CA VAL A 163 2.939 -14.325 3.144 1.00 0.00 C ATOM 1157 C VAL A 163 4.346 -14.928 3.093 1.00 0.00 C ATOM 1158 O VAL A 163 5.314 -14.241 2.834 1.00 0.00 O ATOM 1159 CB VAL A 163 2.552 -13.890 1.733 1.00 0.00 C ATOM 1160 CG1 VAL A 163 2.608 -15.096 0.792 1.00 0.00 C ATOM 1161 CG2 VAL A 163 1.134 -13.313 1.737 1.00 0.00 C ATOM 0 H VAL A 163 3.452 -12.325 3.689 1.00 0.00 H new ATOM 0 HA VAL A 163 2.230 -15.061 3.523 1.00 0.00 H new ATOM 0 HB VAL A 163 3.250 -13.126 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 163 2.332 -14.785 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 163 3.619 -15.503 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.913 -15.861 1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.864 -13.004 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.433 -14.072 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 163 1.094 -12.451 2.403 1.00 0.00 H new ATOM 1171 N HIS A 164 4.470 -16.203 3.323 1.00 0.00 N ATOM 1172 CA HIS A 164 5.821 -16.829 3.271 1.00 0.00 C ATOM 1173 C HIS A 164 6.223 -17.086 1.817 1.00 0.00 C ATOM 1174 O HIS A 164 6.001 -18.155 1.283 1.00 0.00 O ATOM 1175 CB HIS A 164 5.810 -18.153 4.035 1.00 0.00 C ATOM 1176 CG HIS A 164 7.046 -18.935 3.686 1.00 0.00 C ATOM 1177 ND1 HIS A 164 6.988 -20.132 2.984 1.00 0.00 N ATOM 1178 CD2 HIS A 164 8.383 -18.698 3.911 1.00 0.00 C ATOM 1179 CE1 HIS A 164 8.252 -20.563 2.811 1.00 0.00 C ATOM 1180 NE2 HIS A 164 9.136 -19.729 3.358 1.00 0.00 N ATOM 0 H HIS A 164 3.701 -16.836 3.543 1.00 0.00 H new ATOM 0 HA HIS A 164 6.540 -16.151 3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 164 5.774 -17.967 5.108 1.00 0.00 H new ATOM 0 HB3 HIS A 164 4.918 -18.726 3.781 1.00 0.00 H new ATOM 0 HD2 HIS A 164 8.785 -17.844 4.436 1.00 0.00 H new ATOM 0 HE1 HIS A 164 8.517 -21.473 2.293 1.00 0.00 H new ATOM 0 HE2 HIS A 164 10.151 -19.826 3.369 1.00 0.00 H new ATOM 1189 N ASN A 165 6.827 -16.123 1.178 1.00 0.00 N ATOM 1190 CA ASN A 165 7.254 -16.323 -0.233 1.00 0.00 C ATOM 1191 C ASN A 165 8.362 -17.373 -0.287 1.00 0.00 C ATOM 1192 O ASN A 165 9.388 -17.241 0.348 1.00 0.00 O ATOM 1193 CB ASN A 165 7.782 -15.003 -0.791 1.00 0.00 C ATOM 1194 CG ASN A 165 8.003 -15.125 -2.298 1.00 0.00 C ATOM 1195 OD1 ASN A 165 7.946 -16.206 -2.849 1.00 0.00 O ATOM 1196 ND2 ASN A 165 8.256 -14.050 -2.993 1.00 0.00 N ATOM 0 H ASN A 165 7.043 -15.207 1.572 1.00 0.00 H new ATOM 0 HA ASN A 165 6.404 -16.660 -0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 165 7.074 -14.201 -0.583 1.00 0.00 H new ATOM 0 HB3 ASN A 165 8.717 -14.738 -0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 165 8.406 -14.117 -4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 165 8.304 -13.143 -2.530 1.00 0.00 H new ATOM 1203 N GLU A 166 8.170 -18.414 -1.049 1.00 0.00 N ATOM 1204 CA GLU A 166 9.221 -19.460 -1.144 1.00 0.00 C ATOM 1205 C GLU A 166 10.433 -18.867 -1.868 1.00 0.00 C ATOM 1206 O GLU A 166 11.568 -19.127 -1.520 1.00 0.00 O ATOM 1207 CB GLU A 166 8.676 -20.654 -1.934 1.00 0.00 C ATOM 1208 CG GLU A 166 7.330 -21.084 -1.343 1.00 0.00 C ATOM 1209 CD GLU A 166 6.931 -22.452 -1.903 1.00 0.00 C ATOM 1210 OE1 GLU A 166 7.337 -22.759 -3.012 1.00 0.00 O ATOM 1211 OE2 GLU A 166 6.227 -23.171 -1.212 1.00 0.00 O ATOM 0 H GLU A 166 7.333 -18.584 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 166 9.513 -19.796 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 166 8.556 -20.385 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 166 9.383 -21.482 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.398 -21.132 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 166 6.565 -20.346 -1.582 1.00 0.00 H new ATOM 1218 N ALA A 167 10.189 -18.061 -2.866 1.00 0.00 N ATOM 1219 CA ALA A 167 11.304 -17.427 -3.617 1.00 0.00 C ATOM 1220 C ALA A 167 12.037 -16.450 -2.698 1.00 0.00 C ATOM 1221 O ALA A 167 11.969 -15.247 -2.867 1.00 0.00 O ATOM 1222 CB ALA A 167 10.742 -16.673 -4.826 1.00 0.00 C ATOM 0 H ALA A 167 9.255 -17.814 -3.194 1.00 0.00 H new ATOM 0 HA ALA A 167 11.998 -18.194 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 167 11.559 -16.208 -5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 167 10.216 -17.371 -5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 167 10.050 -15.903 -4.485 1.00 0.00 H new ATOM 1271 N SER A 171 11.063 -10.057 -2.032 1.00 0.00 N ATOM 1272 CA SER A 171 10.367 -9.629 -0.783 1.00 0.00 C ATOM 1273 C SER A 171 9.108 -10.474 -0.573 1.00 0.00 C ATOM 1274 O SER A 171 8.520 -10.981 -1.510 1.00 0.00 O ATOM 1275 CB SER A 171 9.976 -8.157 -0.897 1.00 0.00 C ATOM 1276 OG SER A 171 9.305 -7.943 -2.132 1.00 0.00 O ATOM 0 HA SER A 171 11.038 -9.766 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 171 9.330 -7.875 -0.065 1.00 0.00 H new ATOM 0 HB3 SER A 171 10.864 -7.527 -0.839 1.00 0.00 H new ATOM 0 HG SER A 171 9.544 -8.655 -2.762 1.00 0.00 H new ATOM 1282 N SER A 172 8.692 -10.631 0.655 1.00 0.00 N ATOM 1283 CA SER A 172 7.474 -11.445 0.942 1.00 0.00 C ATOM 1284 C SER A 172 6.234 -10.770 0.348 1.00 0.00 C ATOM 1285 O SER A 172 6.231 -9.590 0.059 1.00 0.00 O ATOM 1286 CB SER A 172 7.305 -11.587 2.453 1.00 0.00 C ATOM 1287 OG SER A 172 8.491 -12.142 3.005 1.00 0.00 O ATOM 0 H SER A 172 9.145 -10.229 1.476 1.00 0.00 H new ATOM 0 HA SER A 172 7.589 -12.430 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 172 7.101 -10.615 2.901 1.00 0.00 H new ATOM 0 HB3 SER A 172 6.451 -12.226 2.677 1.00 0.00 H new ATOM 0 HG SER A 172 8.388 -12.234 3.975 1.00 0.00 H new ATOM 1293 N TRP A 173 5.173 -11.516 0.163 1.00 0.00 N ATOM 1294 CA TRP A 173 3.928 -10.923 -0.411 1.00 0.00 C ATOM 1295 C TRP A 173 3.032 -10.403 0.720 1.00 0.00 C ATOM 1296 O TRP A 173 3.140 -10.829 1.854 1.00 0.00 O ATOM 1297 CB TRP A 173 3.180 -11.994 -1.210 1.00 0.00 C ATOM 1298 CG TRP A 173 4.110 -12.601 -2.206 1.00 0.00 C ATOM 1299 CD1 TRP A 173 4.845 -13.718 -2.014 1.00 0.00 C ATOM 1300 CD2 TRP A 173 4.410 -12.139 -3.541 1.00 0.00 C ATOM 1301 NE1 TRP A 173 5.588 -13.963 -3.156 1.00 0.00 N ATOM 1302 CE2 TRP A 173 5.350 -13.013 -4.130 1.00 0.00 C ATOM 1303 CE3 TRP A 173 3.956 -11.051 -4.285 1.00 0.00 C ATOM 1304 CZ2 TRP A 173 5.825 -12.809 -5.424 1.00 0.00 C ATOM 1305 CZ3 TRP A 173 4.426 -10.835 -5.589 1.00 0.00 C ATOM 1306 CH2 TRP A 173 5.360 -11.713 -6.159 1.00 0.00 C ATOM 0 H TRP A 173 5.116 -12.510 0.385 1.00 0.00 H new ATOM 0 HA TRP A 173 4.190 -10.094 -1.068 1.00 0.00 H new ATOM 0 HB2 TRP A 173 2.794 -12.762 -0.540 1.00 0.00 H new ATOM 0 HB3 TRP A 173 2.322 -11.553 -1.717 1.00 0.00 H new ATOM 0 HD1 TRP A 173 4.852 -14.320 -1.118 1.00 0.00 H new ATOM 0 HE1 TRP A 173 6.231 -14.747 -3.265 1.00 0.00 H new ATOM 0 HE3 TRP A 173 3.237 -10.370 -3.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 6.544 -13.490 -5.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 4.067 -9.989 -6.157 1.00 0.00 H new ATOM 0 HH2 TRP A 173 5.719 -11.543 -7.163 1.00 0.00 H new ATOM 1317 N TRP A 174 2.146 -9.488 0.419 1.00 0.00 N ATOM 1318 CA TRP A 174 1.235 -8.937 1.468 1.00 0.00 C ATOM 1319 C TRP A 174 -0.220 -9.163 1.042 1.00 0.00 C ATOM 1320 O TRP A 174 -0.563 -9.027 -0.115 1.00 0.00 O ATOM 1321 CB TRP A 174 1.506 -7.440 1.632 1.00 0.00 C ATOM 1322 CG TRP A 174 2.677 -7.251 2.542 1.00 0.00 C ATOM 1323 CD1 TRP A 174 3.915 -6.868 2.154 1.00 0.00 C ATOM 1324 CD2 TRP A 174 2.737 -7.437 3.983 1.00 0.00 C ATOM 1325 NE1 TRP A 174 4.732 -6.807 3.268 1.00 0.00 N ATOM 1326 CE2 TRP A 174 4.050 -7.149 4.421 1.00 0.00 C ATOM 1327 CE3 TRP A 174 1.786 -7.824 4.945 1.00 0.00 C ATOM 1328 CZ2 TRP A 174 4.409 -7.244 5.766 1.00 0.00 C ATOM 1329 CZ3 TRP A 174 2.143 -7.921 6.299 1.00 0.00 C ATOM 1330 CH2 TRP A 174 3.451 -7.632 6.708 1.00 0.00 C ATOM 0 H TRP A 174 2.014 -9.097 -0.514 1.00 0.00 H new ATOM 0 HA TRP A 174 1.412 -9.440 2.418 1.00 0.00 H new ATOM 0 HB2 TRP A 174 1.707 -6.986 0.662 1.00 0.00 H new ATOM 0 HB3 TRP A 174 0.627 -6.942 2.042 1.00 0.00 H new ATOM 0 HD1 TRP A 174 4.216 -6.646 1.141 1.00 0.00 H new ATOM 0 HE1 TRP A 174 5.717 -6.542 3.242 1.00 0.00 H new ATOM 0 HE3 TRP A 174 0.775 -8.048 4.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 174 5.419 -7.020 6.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 174 1.405 -8.220 7.029 1.00 0.00 H new ATOM 0 HH2 TRP A 174 3.720 -7.709 7.751 1.00 0.00 H new ATOM 1341 N MET A 175 -1.073 -9.531 1.966 1.00 0.00 N ATOM 1342 CA MET A 175 -2.502 -9.796 1.610 1.00 0.00 C ATOM 1343 C MET A 175 -3.440 -9.223 2.680 1.00 0.00 C ATOM 1344 O MET A 175 -3.076 -9.084 3.831 1.00 0.00 O ATOM 1345 CB MET A 175 -2.712 -11.309 1.542 1.00 0.00 C ATOM 1346 CG MET A 175 -1.935 -11.887 0.360 1.00 0.00 C ATOM 1347 SD MET A 175 -1.897 -13.694 0.483 1.00 0.00 S ATOM 1348 CE MET A 175 -3.493 -14.025 -0.304 1.00 0.00 C ATOM 0 H MET A 175 -0.842 -9.659 2.951 1.00 0.00 H new ATOM 0 HA MET A 175 -2.724 -9.324 0.653 1.00 0.00 H new ATOM 0 HB2 MET A 175 -2.379 -11.774 2.470 1.00 0.00 H new ATOM 0 HB3 MET A 175 -3.773 -11.534 1.436 1.00 0.00 H new ATOM 0 HG2 MET A 175 -2.402 -11.586 -0.578 1.00 0.00 H new ATOM 0 HG3 MET A 175 -0.919 -11.492 0.351 1.00 0.00 H new ATOM 0 HE1 MET A 175 -4.096 -14.657 0.348 1.00 0.00 H new ATOM 0 HE2 MET A 175 -4.014 -13.084 -0.481 1.00 0.00 H new ATOM 0 HE3 MET A 175 -3.332 -14.534 -1.254 1.00 0.00 H new ATOM 1358 N LEU A 176 -4.659 -8.918 2.315 1.00 0.00 N ATOM 1359 CA LEU A 176 -5.627 -8.397 3.319 1.00 0.00 C ATOM 1360 C LEU A 176 -6.097 -9.583 4.166 1.00 0.00 C ATOM 1361 O LEU A 176 -6.136 -10.704 3.698 1.00 0.00 O ATOM 1362 CB LEU A 176 -6.832 -7.767 2.605 1.00 0.00 C ATOM 1363 CG LEU A 176 -6.343 -6.813 1.509 1.00 0.00 C ATOM 1364 CD1 LEU A 176 -7.533 -6.070 0.880 1.00 0.00 C ATOM 1365 CD2 LEU A 176 -5.378 -5.792 2.116 1.00 0.00 C ATOM 0 H LEU A 176 -5.023 -9.008 1.366 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.157 -7.637 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -7.457 -8.547 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -7.450 -7.226 3.322 1.00 0.00 H new ATOM 0 HG LEU A 176 -5.835 -7.393 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -7.172 -5.396 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -8.222 -6.792 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -8.050 -5.495 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -5.030 -5.113 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -5.891 -5.223 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.525 -6.312 2.552 1.00 0.00 H new ATOM 1377 N ASN A 177 -6.451 -9.369 5.401 1.00 0.00 N ATOM 1378 CA ASN A 177 -6.909 -10.519 6.229 1.00 0.00 C ATOM 1379 C ASN A 177 -8.156 -11.125 5.570 1.00 0.00 C ATOM 1380 O ASN A 177 -8.750 -10.515 4.706 1.00 0.00 O ATOM 1381 CB ASN A 177 -7.216 -10.035 7.653 1.00 0.00 C ATOM 1382 CG ASN A 177 -8.635 -9.477 7.723 1.00 0.00 C ATOM 1383 OD1 ASN A 177 -9.631 -10.304 7.835 1.00 0.00 O flip ATOM 1384 ND2 ASN A 177 -8.834 -8.281 7.680 1.00 0.00 N flip ATOM 0 H ASN A 177 -6.444 -8.462 5.868 1.00 0.00 H new ATOM 0 HA ASN A 177 -6.133 -11.282 6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -7.106 -10.860 8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -6.500 -9.267 7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -8.049 -7.636 7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -9.787 -7.920 7.732 1.00 0.00 H new