USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 53 SER OG : rot -160:sc= -0.174 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 94 HIS : no HD1:sc= 0.858 K(o=2.1,f=-7!) USER MOD Set 2.2: A 98 SER OG : rot -84:sc= 1.22 USER MOD Single : A 11 TYR OH : rot -171:sc= -0.141 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0471 K(o=-0.047,f=-1.8) USER MOD Single : A 23 SER OG : rot -87:sc= -0.25 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 29 GLN : amide:sc= -0.355 X(o=-0.36,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 145:sc= -2.03 (180deg=-4.79!) USER MOD Single : A 40 ASN : amide:sc= -0.291 K(o=-0.29,f=-2.8!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -160:sc=-0.00684 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0682 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.488 K(o=-0.49,f=-1.5) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 67 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.00056) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.7) USER MOD Single : A 74 ASN : amide:sc= -0.0932 X(o=-0.093,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot -50:sc= -2.34 USER MOD Single : A 83 CYS SG : rot 28:sc= 0.14 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -2.08 K(o=-2.1,f=-3.4!) USER MOD Single : A 96 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.0029) USER MOD Single : A 97 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.49) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.901 X(o=-0.9,f=-1.2) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.606 -11.808 -7.616 1.00 0.00 N ATOM 67 CA LEU A 8 1.869 -10.508 -7.009 1.00 0.00 C ATOM 68 C LEU A 8 3.076 -9.838 -7.658 1.00 0.00 C ATOM 69 O LEU A 8 3.128 -8.614 -7.782 1.00 0.00 O ATOM 70 CB LEU A 8 2.104 -10.661 -5.506 1.00 0.00 C ATOM 71 CG LEU A 8 0.850 -10.702 -4.632 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.217 -10.983 -3.183 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.078 -9.395 -4.744 1.00 0.00 C ATOM 0 HA LEU A 8 0.995 -9.877 -7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.670 -11.578 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.730 -9.834 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 8 0.211 -11.510 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.312 -11.008 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.725 -11.945 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.878 -10.197 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.811 -9.443 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.710 -8.570 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.219 -9.235 -5.781 1.00 0.00 H new ATOM 85 N ASP A 9 4.043 -10.649 -8.072 1.00 0.00 N ATOM 86 CA ASP A 9 5.250 -10.136 -8.711 1.00 0.00 C ATOM 87 C ASP A 9 4.899 -9.280 -9.925 1.00 0.00 C ATOM 88 O ASP A 9 5.488 -8.220 -10.140 1.00 0.00 O ATOM 89 CB ASP A 9 6.159 -11.290 -9.133 1.00 0.00 C ATOM 90 CG ASP A 9 7.588 -10.843 -9.375 1.00 0.00 C ATOM 91 OD1 ASP A 9 7.781 -9.831 -10.082 1.00 0.00 O ATOM 92 OD2 ASP A 9 8.512 -11.503 -8.858 1.00 0.00 O ATOM 0 H ASP A 9 4.015 -11.664 -7.977 1.00 0.00 H new ATOM 0 HA ASP A 9 5.778 -9.513 -7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.148 -12.059 -8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.765 -11.745 -10.042 1.00 0.00 H new ATOM 97 N ASP A 10 3.938 -9.746 -10.714 1.00 0.00 N ATOM 98 CA ASP A 10 3.509 -9.023 -11.906 1.00 0.00 C ATOM 99 C ASP A 10 3.340 -7.537 -11.609 1.00 0.00 C ATOM 100 O ASP A 10 4.082 -6.701 -12.126 1.00 0.00 O ATOM 101 CB ASP A 10 2.196 -9.604 -12.435 1.00 0.00 C ATOM 102 CG ASP A 10 2.368 -10.995 -13.012 1.00 0.00 C ATOM 103 OD1 ASP A 10 2.544 -11.947 -12.223 1.00 0.00 O ATOM 104 OD2 ASP A 10 2.327 -11.131 -14.252 1.00 0.00 O ATOM 0 H ASP A 10 3.441 -10.621 -10.550 1.00 0.00 H new ATOM 0 HA ASP A 10 4.280 -9.136 -12.668 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.465 -9.637 -11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.793 -8.943 -13.202 1.00 0.00 H new ATOM 109 N TYR A 11 2.359 -7.214 -10.773 1.00 0.00 N ATOM 110 CA TYR A 11 2.090 -5.828 -10.410 1.00 0.00 C ATOM 111 C TYR A 11 3.387 -5.079 -10.118 1.00 0.00 C ATOM 112 O TYR A 11 4.434 -5.690 -9.901 1.00 0.00 O ATOM 113 CB TYR A 11 1.168 -5.769 -9.190 1.00 0.00 C ATOM 114 CG TYR A 11 -0.167 -6.446 -9.406 1.00 0.00 C ATOM 115 CD1 TYR A 11 -1.177 -5.822 -10.128 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.417 -7.711 -8.888 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.397 -6.437 -10.327 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.634 -8.334 -9.084 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.621 -7.693 -9.803 1.00 0.00 C ATOM 120 OH TYR A 11 -3.836 -8.310 -10.000 1.00 0.00 O ATOM 0 H TYR A 11 1.737 -7.893 -10.334 1.00 0.00 H new ATOM 0 HA TYR A 11 1.597 -5.347 -11.255 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.670 -6.236 -8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.998 -4.726 -8.924 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.005 -4.839 -10.541 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.353 -8.215 -8.323 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.172 -5.937 -10.890 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.812 -9.318 -8.676 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.884 -9.121 -9.452 1.00 0.00 H new ATOM 130 N ASP A 12 3.309 -3.753 -10.113 1.00 0.00 N ATOM 131 CA ASP A 12 4.475 -2.920 -9.846 1.00 0.00 C ATOM 132 C ASP A 12 4.492 -2.459 -8.392 1.00 0.00 C ATOM 133 O ASP A 12 5.480 -2.649 -7.683 1.00 0.00 O ATOM 134 CB ASP A 12 4.485 -1.707 -10.779 1.00 0.00 C ATOM 135 CG ASP A 12 5.020 -2.042 -12.157 1.00 0.00 C ATOM 136 OD1 ASP A 12 6.035 -2.764 -12.242 1.00 0.00 O ATOM 137 OD2 ASP A 12 4.422 -1.582 -13.153 1.00 0.00 O ATOM 0 H ASP A 12 2.450 -3.232 -10.291 1.00 0.00 H new ATOM 0 HA ASP A 12 5.368 -3.518 -10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.472 -1.315 -10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.094 -0.918 -10.338 1.00 0.00 H new ATOM 142 N TRP A 13 3.395 -1.853 -7.956 1.00 0.00 N ATOM 143 CA TRP A 13 3.284 -1.364 -6.587 1.00 0.00 C ATOM 144 C TRP A 13 3.842 -2.382 -5.599 1.00 0.00 C ATOM 145 O TRP A 13 4.305 -2.022 -4.515 1.00 0.00 O ATOM 146 CB TRP A 13 1.825 -1.053 -6.250 1.00 0.00 C ATOM 147 CG TRP A 13 0.865 -2.077 -6.776 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.055 -1.956 -7.868 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.611 -3.376 -6.228 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.686 -3.100 -8.035 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.363 -3.987 -7.042 1.00 0.00 C ATOM 152 CE3 TRP A 13 1.114 -4.082 -5.133 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -0.842 -5.271 -6.792 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.637 -5.355 -4.885 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.333 -5.939 -5.712 1.00 0.00 C ATOM 0 H TRP A 13 2.569 -1.688 -8.531 1.00 0.00 H new ATOM 0 HA TRP A 13 3.870 -0.448 -6.506 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.716 -0.984 -5.168 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.565 -0.077 -6.659 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.004 -1.087 -8.507 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.366 -3.263 -8.777 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.862 -3.641 -4.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.589 -5.723 -7.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.018 -5.909 -4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.685 -6.936 -5.492 1.00 0.00 H new ATOM 166 N PHE A 14 3.797 -3.654 -5.978 1.00 0.00 N ATOM 167 CA PHE A 14 4.297 -4.726 -5.124 1.00 0.00 C ATOM 168 C PHE A 14 5.804 -4.597 -4.918 1.00 0.00 C ATOM 169 O PHE A 14 6.594 -4.998 -5.770 1.00 0.00 O ATOM 170 CB PHE A 14 3.970 -6.089 -5.736 1.00 0.00 C ATOM 171 CG PHE A 14 4.446 -7.248 -4.907 1.00 0.00 C ATOM 172 CD1 PHE A 14 3.822 -7.565 -3.711 1.00 0.00 C ATOM 173 CD2 PHE A 14 5.519 -8.019 -5.323 1.00 0.00 C ATOM 174 CE1 PHE A 14 4.258 -8.631 -2.946 1.00 0.00 C ATOM 175 CE2 PHE A 14 5.960 -9.086 -4.562 1.00 0.00 C ATOM 176 CZ PHE A 14 5.329 -9.392 -3.372 1.00 0.00 C ATOM 0 H PHE A 14 3.419 -3.969 -6.872 1.00 0.00 H new ATOM 0 HA PHE A 14 3.806 -4.644 -4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.891 -6.168 -5.871 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.421 -6.151 -6.726 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.985 -6.972 -3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.017 -7.784 -6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.762 -8.868 -2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.797 -9.680 -4.898 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.672 -10.225 -2.776 1.00 0.00 H new ATOM 186 N ALA A 15 6.193 -4.034 -3.778 1.00 0.00 N ATOM 187 CA ALA A 15 7.603 -3.853 -3.457 1.00 0.00 C ATOM 188 C ALA A 15 8.038 -4.797 -2.342 1.00 0.00 C ATOM 189 O ALA A 15 8.598 -4.367 -1.335 1.00 0.00 O ATOM 190 CB ALA A 15 7.874 -2.408 -3.064 1.00 0.00 C ATOM 0 H ALA A 15 5.551 -3.696 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 15 8.186 -4.091 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.931 -2.288 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.611 -1.750 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.275 -2.150 -2.191 1.00 0.00 H new ATOM 196 N GLY A 16 7.775 -6.087 -2.529 1.00 0.00 N ATOM 197 CA GLY A 16 8.145 -7.073 -1.530 1.00 0.00 C ATOM 198 C GLY A 16 9.647 -7.179 -1.349 1.00 0.00 C ATOM 199 O GLY A 16 10.129 -7.442 -0.248 1.00 0.00 O ATOM 0 H GLY A 16 7.312 -6.467 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.685 -6.811 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.747 -8.046 -1.819 1.00 0.00 H new ATOM 203 N ASN A 17 10.387 -6.975 -2.433 1.00 0.00 N ATOM 204 CA ASN A 17 11.843 -7.052 -2.390 1.00 0.00 C ATOM 205 C ASN A 17 12.442 -5.742 -1.888 1.00 0.00 C ATOM 206 O ASN A 17 13.275 -5.130 -2.557 1.00 0.00 O ATOM 207 CB ASN A 17 12.399 -7.380 -3.777 1.00 0.00 C ATOM 208 CG ASN A 17 12.036 -8.782 -4.228 1.00 0.00 C ATOM 209 OD1 ASN A 17 12.031 -9.721 -3.431 1.00 0.00 O ATOM 210 ND2 ASN A 17 11.729 -8.930 -5.511 1.00 0.00 N ATOM 0 H ASN A 17 10.003 -6.755 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 17 12.119 -7.847 -1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.016 -6.658 -4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 17 13.484 -7.274 -3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.476 -9.850 -5.872 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.746 -8.124 -6.136 1.00 0.00 H new ATOM 217 N ILE A 18 12.013 -5.316 -0.704 1.00 0.00 N ATOM 218 CA ILE A 18 12.508 -4.080 -0.112 1.00 0.00 C ATOM 219 C ILE A 18 13.039 -4.320 1.298 1.00 0.00 C ATOM 220 O ILE A 18 13.084 -5.456 1.771 1.00 0.00 O ATOM 221 CB ILE A 18 11.410 -3.002 -0.057 1.00 0.00 C ATOM 222 CG1 ILE A 18 10.247 -3.472 0.820 1.00 0.00 C ATOM 223 CG2 ILE A 18 10.921 -2.672 -1.460 1.00 0.00 C ATOM 224 CD1 ILE A 18 10.427 -3.145 2.286 1.00 0.00 C ATOM 0 H ILE A 18 11.324 -5.809 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 18 13.319 -3.728 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 18 11.831 -2.098 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.325 -3.013 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.130 -4.550 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.145 -1.908 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.754 -2.301 -2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.514 -3.570 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.566 -3.507 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.331 -3.627 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.514 -2.066 2.410 1.00 0.00 H new ATOM 236 N SER A 19 13.439 -3.242 1.965 1.00 0.00 N ATOM 237 CA SER A 19 13.968 -3.335 3.321 1.00 0.00 C ATOM 238 C SER A 19 13.426 -2.208 4.195 1.00 0.00 C ATOM 239 O SER A 19 12.647 -1.373 3.736 1.00 0.00 O ATOM 240 CB SER A 19 15.497 -3.288 3.298 1.00 0.00 C ATOM 241 OG SER A 19 16.040 -3.736 4.528 1.00 0.00 O ATOM 0 H SER A 19 13.407 -2.294 1.589 1.00 0.00 H new ATOM 0 HA SER A 19 13.647 -4.286 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.871 -3.909 2.484 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.830 -2.269 3.100 1.00 0.00 H new ATOM 0 HG SER A 19 17.018 -3.698 4.487 1.00 0.00 H new ATOM 247 N ARG A 20 13.845 -2.193 5.457 1.00 0.00 N ATOM 248 CA ARG A 20 13.401 -1.170 6.396 1.00 0.00 C ATOM 249 C ARG A 20 13.692 0.228 5.855 1.00 0.00 C ATOM 250 O ARG A 20 12.941 1.170 6.106 1.00 0.00 O ATOM 251 CB ARG A 20 14.089 -1.357 7.749 1.00 0.00 C ATOM 252 CG ARG A 20 15.597 -1.517 7.649 1.00 0.00 C ATOM 253 CD ARG A 20 16.275 -1.243 8.983 1.00 0.00 C ATOM 254 NE ARG A 20 16.411 -2.456 9.786 1.00 0.00 N ATOM 255 CZ ARG A 20 15.453 -2.923 10.579 1.00 0.00 C ATOM 256 NH1 ARG A 20 14.296 -2.285 10.674 1.00 0.00 N ATOM 257 NH2 ARG A 20 15.653 -4.033 11.278 1.00 0.00 N ATOM 0 H ARG A 20 14.490 -2.877 5.852 1.00 0.00 H new ATOM 0 HA ARG A 20 12.324 -1.274 6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.865 -0.499 8.383 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.671 -2.235 8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 20 15.836 -2.528 7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.987 -0.835 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.261 -0.812 8.807 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.698 -0.503 9.538 1.00 0.00 H new ATOM 0 HE ARG A 20 17.289 -2.972 9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.138 -1.432 10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.563 -2.647 11.284 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.542 -4.528 11.206 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.918 -4.392 11.887 1.00 0.00 H new ATOM 271 N SER A 21 14.787 0.353 5.113 1.00 0.00 N ATOM 272 CA SER A 21 15.180 1.636 4.540 1.00 0.00 C ATOM 273 C SER A 21 14.472 1.877 3.211 1.00 0.00 C ATOM 274 O SER A 21 13.662 2.794 3.085 1.00 0.00 O ATOM 275 CB SER A 21 16.696 1.686 4.341 1.00 0.00 C ATOM 276 OG SER A 21 17.362 1.959 5.561 1.00 0.00 O ATOM 0 H SER A 21 15.418 -0.418 4.894 1.00 0.00 H new ATOM 0 HA SER A 21 14.886 2.422 5.235 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.044 0.735 3.938 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.945 2.453 3.608 1.00 0.00 H new ATOM 0 HG SER A 21 18.330 1.984 5.407 1.00 0.00 H new ATOM 282 N GLN A 22 14.785 1.045 2.222 1.00 0.00 N ATOM 283 CA GLN A 22 14.180 1.168 0.901 1.00 0.00 C ATOM 284 C GLN A 22 12.690 1.478 1.011 1.00 0.00 C ATOM 285 O GLN A 22 12.197 2.426 0.402 1.00 0.00 O ATOM 286 CB GLN A 22 14.387 -0.118 0.100 1.00 0.00 C ATOM 287 CG GLN A 22 15.673 -0.130 -0.712 1.00 0.00 C ATOM 288 CD GLN A 22 16.238 -1.524 -0.893 1.00 0.00 C ATOM 289 OE1 GLN A 22 15.525 -2.518 -0.750 1.00 0.00 O ATOM 290 NE2 GLN A 22 17.525 -1.606 -1.207 1.00 0.00 N ATOM 0 H GLN A 22 15.453 0.280 2.311 1.00 0.00 H new ATOM 0 HA GLN A 22 14.667 1.993 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.392 -0.966 0.785 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.541 -0.257 -0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.484 0.311 -1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.415 0.497 -0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.079 -0.756 -1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.960 -2.519 -1.340 1.00 0.00 H new ATOM 299 N SER A 23 11.980 0.670 1.791 1.00 0.00 N ATOM 300 CA SER A 23 10.546 0.855 1.977 1.00 0.00 C ATOM 301 C SER A 23 10.183 2.338 1.971 1.00 0.00 C ATOM 302 O SER A 23 9.221 2.749 1.324 1.00 0.00 O ATOM 303 CB SER A 23 10.093 0.215 3.292 1.00 0.00 C ATOM 304 OG SER A 23 10.496 0.994 4.404 1.00 0.00 O ATOM 0 H SER A 23 12.374 -0.119 2.304 1.00 0.00 H new ATOM 0 HA SER A 23 10.033 0.369 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.008 0.108 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.512 -0.788 3.375 1.00 0.00 H new ATOM 0 HG SER A 23 11.401 0.733 4.675 1.00 0.00 H new ATOM 310 N GLU A 24 10.963 3.134 2.696 1.00 0.00 N ATOM 311 CA GLU A 24 10.725 4.571 2.774 1.00 0.00 C ATOM 312 C GLU A 24 11.405 5.299 1.619 1.00 0.00 C ATOM 313 O GLU A 24 10.752 5.995 0.841 1.00 0.00 O ATOM 314 CB GLU A 24 11.231 5.122 4.108 1.00 0.00 C ATOM 315 CG GLU A 24 10.236 4.975 5.245 1.00 0.00 C ATOM 316 CD GLU A 24 10.647 5.748 6.485 1.00 0.00 C ATOM 317 OE1 GLU A 24 11.865 5.919 6.698 1.00 0.00 O ATOM 318 OE2 GLU A 24 9.751 6.182 7.238 1.00 0.00 O ATOM 0 H GLU A 24 11.764 2.809 3.237 1.00 0.00 H new ATOM 0 HA GLU A 24 9.650 4.740 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.154 4.609 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.477 6.177 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.257 5.322 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.132 3.920 5.497 1.00 0.00 H new ATOM 325 N GLN A 25 12.719 5.133 1.513 1.00 0.00 N ATOM 326 CA GLN A 25 13.488 5.776 0.454 1.00 0.00 C ATOM 327 C GLN A 25 12.706 5.786 -0.856 1.00 0.00 C ATOM 328 O GLN A 25 12.355 6.847 -1.373 1.00 0.00 O ATOM 329 CB GLN A 25 14.824 5.058 0.258 1.00 0.00 C ATOM 330 CG GLN A 25 15.723 5.101 1.484 1.00 0.00 C ATOM 331 CD GLN A 25 16.483 6.406 1.606 1.00 0.00 C ATOM 332 OE1 GLN A 25 17.272 6.762 0.730 1.00 0.00 O ATOM 333 NE2 GLN A 25 16.250 7.128 2.696 1.00 0.00 N ATOM 0 H GLN A 25 13.274 4.559 2.148 1.00 0.00 H new ATOM 0 HA GLN A 25 13.678 6.807 0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.633 4.018 -0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.349 5.509 -0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.118 4.953 2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.433 4.275 1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 25 15.588 6.795 3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 25 16.733 8.016 2.833 1.00 0.00 H new ATOM 342 N LEU A 26 12.438 4.599 -1.388 1.00 0.00 N ATOM 343 CA LEU A 26 11.698 4.470 -2.638 1.00 0.00 C ATOM 344 C LEU A 26 10.530 5.451 -2.683 1.00 0.00 C ATOM 345 O LEU A 26 10.517 6.381 -3.491 1.00 0.00 O ATOM 346 CB LEU A 26 11.183 3.039 -2.804 1.00 0.00 C ATOM 347 CG LEU A 26 12.179 2.032 -3.383 1.00 0.00 C ATOM 348 CD1 LEU A 26 13.001 1.398 -2.272 1.00 0.00 C ATOM 349 CD2 LEU A 26 11.450 0.964 -4.185 1.00 0.00 C ATOM 0 H LEU A 26 12.722 3.712 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 26 12.377 4.703 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.855 2.677 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.304 3.062 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 26 12.857 2.562 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.704 0.684 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.551 2.173 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.338 0.881 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.173 0.256 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.750 0.437 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.904 1.433 -5.004 1.00 0.00 H new ATOM 361 N LEU A 27 9.553 5.239 -1.809 1.00 0.00 N ATOM 362 CA LEU A 27 8.380 6.105 -1.747 1.00 0.00 C ATOM 363 C LEU A 27 8.773 7.567 -1.940 1.00 0.00 C ATOM 364 O LEU A 27 8.212 8.263 -2.786 1.00 0.00 O ATOM 365 CB LEU A 27 7.664 5.930 -0.407 1.00 0.00 C ATOM 366 CG LEU A 27 6.695 4.750 -0.313 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.293 4.504 1.133 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.467 4.998 -1.176 1.00 0.00 C ATOM 0 H LEU A 27 9.549 4.475 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 27 7.704 5.820 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.417 5.819 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.113 6.845 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 27 7.200 3.859 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.604 3.661 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.181 4.280 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.806 5.394 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.789 4.148 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.959 5.900 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.772 5.123 -2.215 1.00 0.00 H new ATOM 380 N ARG A 28 9.741 8.022 -1.151 1.00 0.00 N ATOM 381 CA ARG A 28 10.209 9.401 -1.237 1.00 0.00 C ATOM 382 C ARG A 28 10.731 9.712 -2.636 1.00 0.00 C ATOM 383 O ARG A 28 10.336 10.705 -3.248 1.00 0.00 O ATOM 384 CB ARG A 28 11.308 9.653 -0.203 1.00 0.00 C ATOM 385 CG ARG A 28 10.780 9.899 1.200 1.00 0.00 C ATOM 386 CD ARG A 28 11.866 9.704 2.247 1.00 0.00 C ATOM 387 NE ARG A 28 11.617 10.494 3.449 1.00 0.00 N ATOM 388 CZ ARG A 28 10.614 10.260 4.288 1.00 0.00 C ATOM 389 NH1 ARG A 28 9.772 9.263 4.058 1.00 0.00 N ATOM 390 NH2 ARG A 28 10.453 11.024 5.362 1.00 0.00 N ATOM 0 H ARG A 28 10.216 7.458 -0.446 1.00 0.00 H new ATOM 0 HA ARG A 28 9.365 10.059 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.980 8.795 -0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.899 10.514 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.385 10.913 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.952 9.220 1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.927 8.649 2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.831 9.982 1.824 1.00 0.00 H new ATOM 0 HE ARG A 28 12.248 11.268 3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.893 8.673 3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.003 9.086 4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.100 11.792 5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.682 10.843 6.005 1.00 0.00 H new ATOM 404 N GLN A 29 11.619 8.859 -3.135 1.00 0.00 N ATOM 405 CA GLN A 29 12.195 9.045 -4.461 1.00 0.00 C ATOM 406 C GLN A 29 11.112 9.378 -5.483 1.00 0.00 C ATOM 407 O GLN A 29 11.274 10.282 -6.302 1.00 0.00 O ATOM 408 CB GLN A 29 12.951 7.787 -4.893 1.00 0.00 C ATOM 409 CG GLN A 29 14.308 7.633 -4.224 1.00 0.00 C ATOM 410 CD GLN A 29 15.404 8.388 -4.947 1.00 0.00 C ATOM 411 OE1 GLN A 29 16.177 7.805 -5.710 1.00 0.00 O ATOM 412 NE2 GLN A 29 15.478 9.693 -4.713 1.00 0.00 N ATOM 0 H GLN A 29 11.955 8.032 -2.641 1.00 0.00 H new ATOM 0 HA GLN A 29 12.893 9.881 -4.413 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.342 6.912 -4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.088 7.809 -5.974 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.244 7.989 -3.196 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.569 6.576 -4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.817 10.135 -4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.195 10.254 -5.173 1.00 0.00 H new ATOM 421 N LYS A 30 10.010 8.640 -5.430 1.00 0.00 N ATOM 422 CA LYS A 30 8.898 8.856 -6.350 1.00 0.00 C ATOM 423 C LYS A 30 8.663 10.346 -6.578 1.00 0.00 C ATOM 424 O LYS A 30 8.317 10.767 -7.681 1.00 0.00 O ATOM 425 CB LYS A 30 7.624 8.206 -5.804 1.00 0.00 C ATOM 426 CG LYS A 30 6.588 7.909 -6.874 1.00 0.00 C ATOM 427 CD LYS A 30 6.969 6.688 -7.696 1.00 0.00 C ATOM 428 CE LYS A 30 5.778 6.143 -8.468 1.00 0.00 C ATOM 429 NZ LYS A 30 5.427 7.005 -9.630 1.00 0.00 N ATOM 0 H LYS A 30 9.862 7.886 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 30 9.153 8.396 -7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.888 7.278 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.183 8.863 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.617 7.745 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.484 8.773 -7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.766 6.951 -8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.363 5.913 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.003 5.136 -8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.919 6.064 -7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.610 6.599 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.187 7.960 -9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.238 7.060 -10.279 1.00 0.00 H new ATOM 443 N GLY A 31 8.857 11.139 -5.529 1.00 0.00 N ATOM 444 CA GLY A 31 8.663 12.573 -5.638 1.00 0.00 C ATOM 445 C GLY A 31 7.236 12.940 -5.993 1.00 0.00 C ATOM 446 O GLY A 31 6.983 13.996 -6.572 1.00 0.00 O ATOM 0 H GLY A 31 9.145 10.814 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.932 13.046 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.337 12.971 -6.397 1.00 0.00 H new ATOM 450 N LYS A 32 6.298 12.066 -5.645 1.00 0.00 N ATOM 451 CA LYS A 32 4.887 12.301 -5.930 1.00 0.00 C ATOM 452 C LYS A 32 4.039 12.104 -4.678 1.00 0.00 C ATOM 453 O LYS A 32 4.143 11.081 -4.002 1.00 0.00 O ATOM 454 CB LYS A 32 4.406 11.362 -7.039 1.00 0.00 C ATOM 455 CG LYS A 32 4.851 11.781 -8.428 1.00 0.00 C ATOM 456 CD LYS A 32 4.047 11.078 -9.508 1.00 0.00 C ATOM 457 CE LYS A 32 4.713 11.200 -10.869 1.00 0.00 C ATOM 458 NZ LYS A 32 4.719 12.607 -11.360 1.00 0.00 N ATOM 0 H LYS A 32 6.490 11.187 -5.164 1.00 0.00 H new ATOM 0 HA LYS A 32 4.776 13.333 -6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.775 10.356 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.317 11.313 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.741 12.860 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.909 11.554 -8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.934 10.025 -9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.045 11.505 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.737 10.833 -10.806 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.191 10.567 -11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.182 12.648 -12.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.741 12.949 -11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.239 13.207 -10.688 1.00 0.00 H new ATOM 472 N GLU A 33 3.199 13.090 -4.376 1.00 0.00 N ATOM 473 CA GLU A 33 2.333 13.023 -3.205 1.00 0.00 C ATOM 474 C GLU A 33 1.195 12.032 -3.427 1.00 0.00 C ATOM 475 O GLU A 33 0.273 12.291 -4.199 1.00 0.00 O ATOM 476 CB GLU A 33 1.764 14.407 -2.884 1.00 0.00 C ATOM 477 CG GLU A 33 2.641 15.224 -1.951 1.00 0.00 C ATOM 478 CD GLU A 33 3.785 15.907 -2.674 1.00 0.00 C ATOM 479 OE1 GLU A 33 3.511 16.764 -3.542 1.00 0.00 O ATOM 480 OE2 GLU A 33 4.955 15.586 -2.375 1.00 0.00 O ATOM 0 H GLU A 33 3.100 13.943 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 33 2.931 12.680 -2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.625 14.958 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.779 14.290 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.031 15.977 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.044 14.573 -1.175 1.00 0.00 H new ATOM 487 N GLY A 34 1.268 10.893 -2.743 1.00 0.00 N ATOM 488 CA GLY A 34 0.238 9.880 -2.879 1.00 0.00 C ATOM 489 C GLY A 34 0.808 8.517 -3.222 1.00 0.00 C ATOM 490 O GLY A 34 0.124 7.502 -3.098 1.00 0.00 O ATOM 0 H GLY A 34 2.021 10.655 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.325 9.811 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.465 10.183 -3.655 1.00 0.00 H new ATOM 494 N ALA A 35 2.063 8.495 -3.657 1.00 0.00 N ATOM 495 CA ALA A 35 2.724 7.247 -4.019 1.00 0.00 C ATOM 496 C ALA A 35 2.416 6.149 -3.007 1.00 0.00 C ATOM 497 O ALA A 35 2.338 6.403 -1.805 1.00 0.00 O ATOM 498 CB ALA A 35 4.227 7.460 -4.130 1.00 0.00 C ATOM 0 H ALA A 35 2.643 9.327 -3.767 1.00 0.00 H new ATOM 0 HA ALA A 35 2.340 6.928 -4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.709 6.520 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.433 8.207 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.617 7.805 -3.173 1.00 0.00 H new ATOM 504 N PHE A 36 2.242 4.928 -3.501 1.00 0.00 N ATOM 505 CA PHE A 36 1.939 3.791 -2.639 1.00 0.00 C ATOM 506 C PHE A 36 2.709 2.551 -3.086 1.00 0.00 C ATOM 507 O PHE A 36 3.249 2.507 -4.192 1.00 0.00 O ATOM 508 CB PHE A 36 0.437 3.503 -2.646 1.00 0.00 C ATOM 509 CG PHE A 36 0.009 2.575 -3.748 1.00 0.00 C ATOM 510 CD1 PHE A 36 -0.090 3.028 -5.053 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.292 1.250 -3.477 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.483 2.177 -6.068 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.686 0.394 -4.489 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.782 0.858 -5.785 1.00 0.00 C ATOM 0 H PHE A 36 2.305 4.700 -4.493 1.00 0.00 H new ATOM 0 HA PHE A 36 2.247 4.044 -1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.154 3.070 -1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.105 4.444 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.143 4.058 -5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.218 0.882 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.556 2.542 -7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.918 -0.637 -4.265 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.090 0.191 -6.577 1.00 0.00 H new ATOM 524 N MET A 37 2.755 1.545 -2.218 1.00 0.00 N ATOM 525 CA MET A 37 3.457 0.304 -2.524 1.00 0.00 C ATOM 526 C MET A 37 3.006 -0.818 -1.594 1.00 0.00 C ATOM 527 O MET A 37 2.141 -0.621 -0.740 1.00 0.00 O ATOM 528 CB MET A 37 4.968 0.506 -2.403 1.00 0.00 C ATOM 529 CG MET A 37 5.505 0.260 -1.003 1.00 0.00 C ATOM 530 SD MET A 37 7.022 1.177 -0.670 1.00 0.00 S ATOM 531 CE MET A 37 8.048 0.643 -2.038 1.00 0.00 C ATOM 0 H MET A 37 2.315 1.565 -1.298 1.00 0.00 H new ATOM 0 HA MET A 37 3.216 0.022 -3.549 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.472 -0.164 -3.099 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.215 1.524 -2.704 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.747 0.542 -0.272 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.693 -0.806 -0.872 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.684 1.468 -2.359 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.670 -0.194 -1.721 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.414 0.330 -2.868 1.00 0.00 H new ATOM 541 N VAL A 38 3.597 -1.996 -1.767 1.00 0.00 N ATOM 542 CA VAL A 38 3.257 -3.150 -0.942 1.00 0.00 C ATOM 543 C VAL A 38 4.492 -3.989 -0.634 1.00 0.00 C ATOM 544 O VAL A 38 5.108 -4.558 -1.536 1.00 0.00 O ATOM 545 CB VAL A 38 2.203 -4.040 -1.629 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.868 -5.240 -0.757 1.00 0.00 C ATOM 547 CG2 VAL A 38 0.952 -3.234 -1.946 1.00 0.00 C ATOM 0 H VAL A 38 4.313 -2.177 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 38 2.844 -2.763 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 38 2.618 -4.408 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.122 -5.857 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.770 -5.828 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.472 -4.896 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.218 -3.877 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.532 -2.836 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.209 -2.410 -2.612 1.00 0.00 H new ATOM 557 N ARG A 39 4.848 -4.061 0.644 1.00 0.00 N ATOM 558 CA ARG A 39 6.011 -4.832 1.071 1.00 0.00 C ATOM 559 C ARG A 39 5.590 -6.017 1.933 1.00 0.00 C ATOM 560 O ARG A 39 4.511 -6.016 2.525 1.00 0.00 O ATOM 561 CB ARG A 39 6.982 -3.939 1.847 1.00 0.00 C ATOM 562 CG ARG A 39 6.349 -3.247 3.044 1.00 0.00 C ATOM 563 CD ARG A 39 7.196 -2.079 3.524 1.00 0.00 C ATOM 564 NE ARG A 39 8.192 -2.495 4.509 1.00 0.00 N ATOM 565 CZ ARG A 39 8.724 -1.674 5.407 1.00 0.00 C ATOM 566 NH1 ARG A 39 8.357 -0.401 5.446 1.00 0.00 N ATOM 567 NH2 ARG A 39 9.625 -2.127 6.270 1.00 0.00 N ATOM 0 H ARG A 39 4.349 -3.596 1.402 1.00 0.00 H new ATOM 0 HA ARG A 39 6.512 -5.214 0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.823 -4.542 2.189 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.386 -3.184 1.173 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.354 -2.891 2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.223 -3.964 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.698 -1.621 2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.550 -1.318 3.961 1.00 0.00 H new ATOM 0 HE ARG A 39 8.495 -3.469 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.664 -0.050 4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.767 0.227 6.137 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.909 -3.106 6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.033 -1.496 6.959 1.00 0.00 H new ATOM 581 N ASN A 40 6.451 -7.028 2.001 1.00 0.00 N ATOM 582 CA ASN A 40 6.169 -8.221 2.791 1.00 0.00 C ATOM 583 C ASN A 40 6.646 -8.046 4.229 1.00 0.00 C ATOM 584 O ASN A 40 7.763 -7.591 4.474 1.00 0.00 O ATOM 585 CB ASN A 40 6.841 -9.444 2.164 1.00 0.00 C ATOM 586 CG ASN A 40 8.133 -9.091 1.451 1.00 0.00 C ATOM 587 OD1 ASN A 40 8.282 -9.338 0.255 1.00 0.00 O ATOM 588 ND2 ASN A 40 9.075 -8.512 2.187 1.00 0.00 N ATOM 0 H ASN A 40 7.350 -7.045 1.518 1.00 0.00 H new ATOM 0 HA ASN A 40 5.090 -8.373 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.047 -10.180 2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.155 -9.910 1.457 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.966 -8.253 1.763 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.907 -8.326 3.176 1.00 0.00 H new ATOM 595 N SER A 41 5.790 -8.410 5.179 1.00 0.00 N ATOM 596 CA SER A 41 6.122 -8.292 6.594 1.00 0.00 C ATOM 597 C SER A 41 7.490 -8.903 6.885 1.00 0.00 C ATOM 598 O SER A 41 7.978 -9.745 6.131 1.00 0.00 O ATOM 599 CB SER A 41 5.054 -8.975 7.449 1.00 0.00 C ATOM 600 OG SER A 41 4.979 -8.389 8.737 1.00 0.00 O ATOM 0 H SER A 41 4.861 -8.789 4.994 1.00 0.00 H new ATOM 0 HA SER A 41 6.156 -7.232 6.846 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.085 -8.900 6.955 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.283 -10.037 7.542 1.00 0.00 H new ATOM 0 HG SER A 41 4.288 -8.843 9.263 1.00 0.00 H new ATOM 657 N MET A 46 2.969 -12.237 6.434 1.00 0.00 N ATOM 658 CA MET A 46 1.901 -11.268 6.219 1.00 0.00 C ATOM 659 C MET A 46 2.330 -10.198 5.219 1.00 0.00 C ATOM 660 O MET A 46 3.492 -10.145 4.814 1.00 0.00 O ATOM 661 CB MET A 46 1.502 -10.613 7.543 1.00 0.00 C ATOM 662 CG MET A 46 0.878 -11.580 8.536 1.00 0.00 C ATOM 663 SD MET A 46 -0.884 -11.832 8.247 1.00 0.00 S ATOM 664 CE MET A 46 -1.530 -11.640 9.906 1.00 0.00 C ATOM 0 HA MET A 46 1.041 -11.799 5.811 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.384 -10.160 7.995 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.797 -9.806 7.342 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.393 -12.539 8.476 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.026 -11.202 9.547 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.612 -11.768 9.892 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.084 -12.390 10.559 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.288 -10.645 10.278 1.00 0.00 H new ATOM 674 N TYR A 47 1.386 -9.350 4.825 1.00 0.00 N ATOM 675 CA TYR A 47 1.667 -8.285 3.870 1.00 0.00 C ATOM 676 C TYR A 47 1.432 -6.915 4.498 1.00 0.00 C ATOM 677 O TYR A 47 0.568 -6.753 5.360 1.00 0.00 O ATOM 678 CB TYR A 47 0.792 -8.444 2.625 1.00 0.00 C ATOM 679 CG TYR A 47 1.082 -9.703 1.840 1.00 0.00 C ATOM 680 CD1 TYR A 47 2.110 -9.742 0.905 1.00 0.00 C ATOM 681 CD2 TYR A 47 0.325 -10.853 2.030 1.00 0.00 C ATOM 682 CE1 TYR A 47 2.377 -10.889 0.184 1.00 0.00 C ATOM 683 CE2 TYR A 47 0.587 -12.006 1.315 1.00 0.00 C ATOM 684 CZ TYR A 47 1.613 -12.018 0.393 1.00 0.00 C ATOM 685 OH TYR A 47 1.875 -13.165 -0.323 1.00 0.00 O ATOM 0 H TYR A 47 0.420 -9.380 5.152 1.00 0.00 H new ATOM 0 HA TYR A 47 2.716 -8.358 3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.256 -8.446 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.936 -7.580 1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.710 -8.860 0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.481 -10.845 2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.179 -10.902 -0.539 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.008 -12.893 1.477 1.00 0.00 H new ATOM 0 HH TYR A 47 1.247 -13.868 -0.055 1.00 0.00 H new ATOM 695 N THR A 48 2.209 -5.929 4.060 1.00 0.00 N ATOM 696 CA THR A 48 2.088 -4.573 4.578 1.00 0.00 C ATOM 697 C THR A 48 2.030 -3.554 3.445 1.00 0.00 C ATOM 698 O THR A 48 2.950 -3.460 2.634 1.00 0.00 O ATOM 699 CB THR A 48 3.264 -4.220 5.509 1.00 0.00 C ATOM 700 OG1 THR A 48 3.341 -5.167 6.581 1.00 0.00 O ATOM 701 CG2 THR A 48 3.103 -2.817 6.077 1.00 0.00 C ATOM 0 H THR A 48 2.929 -6.045 3.347 1.00 0.00 H new ATOM 0 HA THR A 48 1.159 -4.534 5.146 1.00 0.00 H new ATOM 0 HB THR A 48 4.184 -4.256 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.092 -4.937 7.167 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.945 -2.590 6.731 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.073 -2.095 5.261 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.175 -2.759 6.647 1.00 0.00 H new ATOM 709 N VAL A 49 0.941 -2.792 3.397 1.00 0.00 N ATOM 710 CA VAL A 49 0.764 -1.778 2.364 1.00 0.00 C ATOM 711 C VAL A 49 1.199 -0.405 2.862 1.00 0.00 C ATOM 712 O VAL A 49 0.451 0.279 3.560 1.00 0.00 O ATOM 713 CB VAL A 49 -0.703 -1.703 1.899 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.836 -0.776 0.700 1.00 0.00 C ATOM 715 CG2 VAL A 49 -1.229 -3.093 1.569 1.00 0.00 C ATOM 0 H VAL A 49 0.169 -2.858 4.061 1.00 0.00 H new ATOM 0 HA VAL A 49 1.391 -2.070 1.521 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.304 -1.295 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.879 -0.735 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.501 0.224 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.224 -1.152 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.266 -3.021 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.627 -3.530 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.171 -3.724 2.456 1.00 0.00 H new ATOM 725 N SER A 50 2.412 -0.006 2.496 1.00 0.00 N ATOM 726 CA SER A 50 2.949 1.286 2.907 1.00 0.00 C ATOM 727 C SER A 50 2.885 2.291 1.761 1.00 0.00 C ATOM 728 O SER A 50 3.197 1.965 0.615 1.00 0.00 O ATOM 729 CB SER A 50 4.394 1.132 3.386 1.00 0.00 C ATOM 730 OG SER A 50 4.499 0.125 4.376 1.00 0.00 O ATOM 0 H SER A 50 3.042 -0.559 1.915 1.00 0.00 H new ATOM 0 HA SER A 50 2.339 1.660 3.729 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.036 0.884 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.750 2.080 3.789 1.00 0.00 H new ATOM 0 HG SER A 50 5.327 0.252 4.885 1.00 0.00 H new ATOM 736 N LEU A 51 2.477 3.514 2.079 1.00 0.00 N ATOM 737 CA LEU A 51 2.371 4.570 1.077 1.00 0.00 C ATOM 738 C LEU A 51 2.821 5.911 1.648 1.00 0.00 C ATOM 739 O LEU A 51 2.851 6.100 2.864 1.00 0.00 O ATOM 740 CB LEU A 51 0.933 4.675 0.568 1.00 0.00 C ATOM 741 CG LEU A 51 -0.063 5.356 1.509 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.102 6.854 1.252 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.449 4.749 1.347 1.00 0.00 C ATOM 0 H LEU A 51 2.214 3.800 3.022 1.00 0.00 H new ATOM 0 HA LEU A 51 3.026 4.313 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.942 5.220 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.570 3.670 0.353 1.00 0.00 H new ATOM 0 HG LEU A 51 0.266 5.193 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.816 7.321 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.888 7.278 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.406 7.039 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.145 5.245 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.786 4.881 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.410 3.685 1.582 1.00 0.00 H new ATOM 755 N PHE A 52 3.166 6.839 0.762 1.00 0.00 N ATOM 756 CA PHE A 52 3.613 8.164 1.179 1.00 0.00 C ATOM 757 C PHE A 52 2.486 9.183 1.046 1.00 0.00 C ATOM 758 O PHE A 52 1.629 9.068 0.170 1.00 0.00 O ATOM 759 CB PHE A 52 4.817 8.606 0.344 1.00 0.00 C ATOM 760 CG PHE A 52 5.217 10.033 0.577 1.00 0.00 C ATOM 761 CD1 PHE A 52 6.030 10.374 1.647 1.00 0.00 C ATOM 762 CD2 PHE A 52 4.779 11.038 -0.272 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.400 11.688 1.864 1.00 0.00 C ATOM 764 CE2 PHE A 52 5.146 12.353 -0.060 1.00 0.00 C ATOM 765 CZ PHE A 52 5.957 12.678 1.010 1.00 0.00 C ATOM 0 H PHE A 52 3.145 6.699 -0.248 1.00 0.00 H new ATOM 0 HA PHE A 52 3.908 8.108 2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.664 7.958 0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.586 8.470 -0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.378 9.604 2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.143 10.790 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.035 11.940 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.799 13.126 -0.730 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.244 13.705 1.178 1.00 0.00 H new ATOM 775 N SER A 53 2.494 10.184 1.923 1.00 0.00 N ATOM 776 CA SER A 53 1.471 11.222 1.907 1.00 0.00 C ATOM 777 C SER A 53 1.885 12.406 2.777 1.00 0.00 C ATOM 778 O SER A 53 2.514 12.234 3.821 1.00 0.00 O ATOM 779 CB SER A 53 0.135 10.658 2.396 1.00 0.00 C ATOM 780 OG SER A 53 -0.946 11.475 1.980 1.00 0.00 O ATOM 0 H SER A 53 3.198 10.297 2.653 1.00 0.00 H new ATOM 0 HA SER A 53 1.357 11.570 0.880 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.000 9.647 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.143 10.586 3.484 1.00 0.00 H new ATOM 0 HG SER A 53 -1.727 11.296 2.544 1.00 0.00 H new ATOM 786 N LYS A 54 1.527 13.607 2.338 1.00 0.00 N ATOM 787 CA LYS A 54 1.859 14.821 3.073 1.00 0.00 C ATOM 788 C LYS A 54 0.620 15.410 3.740 1.00 0.00 C ATOM 789 O LYS A 54 -0.369 15.715 3.074 1.00 0.00 O ATOM 790 CB LYS A 54 2.487 15.856 2.136 1.00 0.00 C ATOM 791 CG LYS A 54 3.997 15.740 2.025 1.00 0.00 C ATOM 792 CD LYS A 54 4.560 16.728 1.017 1.00 0.00 C ATOM 793 CE LYS A 54 4.828 18.083 1.654 1.00 0.00 C ATOM 794 NZ LYS A 54 5.371 19.060 0.672 1.00 0.00 N ATOM 0 H LYS A 54 1.006 13.766 1.476 1.00 0.00 H new ATOM 0 HA LYS A 54 2.578 14.559 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.049 15.748 1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.233 16.855 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.449 15.917 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.264 14.725 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.485 16.333 0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.859 16.846 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.904 18.473 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.534 17.964 2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.540 19.970 1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.266 18.700 0.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.687 19.193 -0.100 1.00 0.00 H new ATOM 904 N GLY A 61 6.736 14.837 4.642 1.00 0.00 N ATOM 905 CA GLY A 61 5.728 13.840 4.329 1.00 0.00 C ATOM 906 C GLY A 61 5.860 12.595 5.184 1.00 0.00 C ATOM 907 O GLY A 61 6.922 11.973 5.231 1.00 0.00 O ATOM 0 HA2 GLY A 61 4.737 14.272 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.807 13.565 3.277 1.00 0.00 H new ATOM 911 N THR A 62 4.779 12.230 5.866 1.00 0.00 N ATOM 912 CA THR A 62 4.777 11.053 6.725 1.00 0.00 C ATOM 913 C THR A 62 4.357 9.808 5.953 1.00 0.00 C ATOM 914 O THR A 62 3.445 9.856 5.127 1.00 0.00 O ATOM 915 CB THR A 62 3.837 11.238 7.930 1.00 0.00 C ATOM 916 OG1 THR A 62 2.771 12.132 7.588 1.00 0.00 O ATOM 917 CG2 THR A 62 4.595 11.782 9.131 1.00 0.00 C ATOM 0 H THR A 62 3.892 12.734 5.840 1.00 0.00 H new ATOM 0 HA THR A 62 5.797 10.925 7.086 1.00 0.00 H new ATOM 0 HB THR A 62 3.424 10.264 8.192 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.177 12.243 8.359 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.909 11.904 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.386 11.085 9.408 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.034 12.747 8.878 1.00 0.00 H new ATOM 925 N VAL A 63 5.026 8.693 6.227 1.00 0.00 N ATOM 926 CA VAL A 63 4.721 7.433 5.559 1.00 0.00 C ATOM 927 C VAL A 63 3.796 6.570 6.409 1.00 0.00 C ATOM 928 O VAL A 63 4.093 6.277 7.568 1.00 0.00 O ATOM 929 CB VAL A 63 6.001 6.639 5.245 1.00 0.00 C ATOM 930 CG1 VAL A 63 5.659 5.306 4.599 1.00 0.00 C ATOM 931 CG2 VAL A 63 6.927 7.450 4.352 1.00 0.00 C ATOM 0 H VAL A 63 5.784 8.636 6.908 1.00 0.00 H new ATOM 0 HA VAL A 63 4.221 7.685 4.624 1.00 0.00 H new ATOM 0 HB VAL A 63 6.520 6.439 6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.577 4.759 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.039 4.721 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.115 5.480 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.827 6.872 4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.418 7.684 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.201 8.376 4.857 1.00 0.00 H new ATOM 941 N LYS A 64 2.671 6.167 5.828 1.00 0.00 N ATOM 942 CA LYS A 64 1.701 5.335 6.530 1.00 0.00 C ATOM 943 C LYS A 64 1.853 3.869 6.135 1.00 0.00 C ATOM 944 O LYS A 64 2.121 3.554 4.975 1.00 0.00 O ATOM 945 CB LYS A 64 0.279 5.811 6.231 1.00 0.00 C ATOM 946 CG LYS A 64 -0.197 6.923 7.150 1.00 0.00 C ATOM 947 CD LYS A 64 0.284 8.283 6.675 1.00 0.00 C ATOM 948 CE LYS A 64 0.088 9.348 7.743 1.00 0.00 C ATOM 949 NZ LYS A 64 -1.338 9.763 7.857 1.00 0.00 N ATOM 0 H LYS A 64 2.408 6.404 4.871 1.00 0.00 H new ATOM 0 HA LYS A 64 1.890 5.425 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.231 6.159 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.403 4.965 6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.286 6.917 7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.166 6.741 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.339 8.224 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.258 8.567 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.433 8.967 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.701 10.217 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.430 10.490 8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.661 10.151 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.920 8.939 8.108 1.00 0.00 H new ATOM 963 N HIS A 65 1.678 2.978 7.105 1.00 0.00 N ATOM 964 CA HIS A 65 1.793 1.546 6.857 1.00 0.00 C ATOM 965 C HIS A 65 0.520 0.817 7.277 1.00 0.00 C ATOM 966 O HIS A 65 0.145 0.828 8.449 1.00 0.00 O ATOM 967 CB HIS A 65 2.994 0.971 7.608 1.00 0.00 C ATOM 968 CG HIS A 65 3.070 1.408 9.039 1.00 0.00 C ATOM 969 ND1 HIS A 65 2.358 0.799 10.050 1.00 0.00 N ATOM 970 CD2 HIS A 65 3.783 2.398 9.625 1.00 0.00 C ATOM 971 CE1 HIS A 65 2.626 1.398 11.197 1.00 0.00 C ATOM 972 NE2 HIS A 65 3.489 2.371 10.966 1.00 0.00 N ATOM 0 H HIS A 65 1.456 3.222 8.070 1.00 0.00 H new ATOM 0 HA HIS A 65 1.939 1.399 5.787 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.948 -0.117 7.571 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.909 1.269 7.096 1.00 0.00 H new ATOM 0 HD1 HIS A 65 1.723 0.009 9.931 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.457 3.081 9.130 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.210 1.137 12.159 1.00 0.00 H new ATOM 981 N TYR A 66 -0.141 0.187 6.312 1.00 0.00 N ATOM 982 CA TYR A 66 -1.374 -0.544 6.581 1.00 0.00 C ATOM 983 C TYR A 66 -1.144 -2.050 6.497 1.00 0.00 C ATOM 984 O TYR A 66 -1.080 -2.621 5.407 1.00 0.00 O ATOM 985 CB TYR A 66 -2.464 -0.127 5.592 1.00 0.00 C ATOM 986 CG TYR A 66 -2.691 1.366 5.536 1.00 0.00 C ATOM 987 CD1 TYR A 66 -1.780 2.204 4.904 1.00 0.00 C ATOM 988 CD2 TYR A 66 -3.817 1.941 6.112 1.00 0.00 C ATOM 989 CE1 TYR A 66 -1.982 3.570 4.850 1.00 0.00 C ATOM 990 CE2 TYR A 66 -4.029 3.305 6.062 1.00 0.00 C ATOM 991 CZ TYR A 66 -3.109 4.115 5.430 1.00 0.00 C ATOM 992 OH TYR A 66 -3.315 5.474 5.378 1.00 0.00 O ATOM 0 H TYR A 66 0.156 0.168 5.336 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.698 -0.300 7.593 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.196 -0.483 4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.398 -0.618 5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.898 1.780 4.447 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.540 1.310 6.608 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.262 4.207 4.357 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.910 3.735 6.515 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.155 5.695 5.832 1.00 0.00 H new ATOM 1002 N HIS A 67 -1.021 -2.689 7.656 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.800 -4.128 7.716 1.00 0.00 C ATOM 1004 C HIS A 67 -2.061 -4.890 7.316 1.00 0.00 C ATOM 1005 O HIS A 67 -3.133 -4.672 7.880 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.365 -4.542 9.123 1.00 0.00 C ATOM 1007 CG HIS A 67 0.974 -4.000 9.519 1.00 0.00 C ATOM 1008 ND1 HIS A 67 1.986 -4.789 10.024 1.00 0.00 N ATOM 1009 CD2 HIS A 67 1.464 -2.738 9.481 1.00 0.00 C ATOM 1010 CE1 HIS A 67 3.040 -4.036 10.281 1.00 0.00 C ATOM 1011 NE2 HIS A 67 2.750 -2.789 9.960 1.00 0.00 N ATOM 0 H HIS A 67 -1.071 -2.232 8.566 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.007 -4.377 7.011 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.112 -4.202 9.840 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.339 -5.630 9.181 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.942 -1.857 9.138 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.980 -4.382 10.685 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.380 -1.992 10.053 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.924 -5.781 6.340 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.052 -6.574 5.866 1.00 0.00 C ATOM 1022 C VAL A 68 -3.546 -7.530 6.947 1.00 0.00 C ATOM 1023 O VAL A 68 -2.846 -8.470 7.326 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.680 -7.385 4.611 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -3.818 -8.316 4.218 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.322 -6.454 3.462 1.00 0.00 C ATOM 0 H VAL A 68 -1.043 -5.972 5.862 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.847 -5.873 5.614 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.807 -7.995 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.536 -8.880 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.022 -9.006 5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.712 -7.729 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.062 -7.044 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.175 -5.816 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.472 -5.834 3.747 1.00 0.00 H new ATOM 1036 N HIS A 69 -4.755 -7.283 7.440 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.344 -8.123 8.478 1.00 0.00 C ATOM 1038 C HIS A 69 -6.162 -9.254 7.861 1.00 0.00 C ATOM 1039 O HIS A 69 -6.543 -9.194 6.692 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.227 -7.284 9.402 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.521 -6.102 9.994 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.500 -6.219 10.913 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -5.694 -4.776 9.790 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -4.076 -5.014 11.251 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -4.785 -4.120 10.584 1.00 0.00 N ATOM 0 H HIS A 69 -5.346 -6.509 7.138 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.534 -8.560 9.061 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.096 -6.936 8.843 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.599 -7.916 10.208 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.413 -4.318 9.127 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.285 -4.797 11.953 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.675 -3.108 10.648 1.00 0.00 H new ATOM 1054 N THR A 70 -6.429 -10.285 8.657 1.00 0.00 N ATOM 1055 CA THR A 70 -7.200 -11.431 8.190 1.00 0.00 C ATOM 1056 C THR A 70 -8.487 -11.591 8.991 1.00 0.00 C ATOM 1057 O THR A 70 -8.581 -11.134 10.129 1.00 0.00 O ATOM 1058 CB THR A 70 -6.384 -12.734 8.285 1.00 0.00 C ATOM 1059 OG1 THR A 70 -5.069 -12.529 7.756 1.00 0.00 O ATOM 1060 CG2 THR A 70 -7.071 -13.860 7.528 1.00 0.00 C ATOM 0 H THR A 70 -6.123 -10.350 9.628 1.00 0.00 H new ATOM 0 HA THR A 70 -7.447 -11.241 7.145 1.00 0.00 H new ATOM 0 HB THR A 70 -6.312 -13.015 9.336 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.556 -13.362 7.822 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.476 -14.769 7.610 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.060 -14.034 7.953 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.171 -13.585 6.478 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.475 -12.244 8.389 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.758 -12.464 9.047 1.00 0.00 C ATOM 1070 C ASN A 71 -11.048 -13.955 9.188 1.00 0.00 C ATOM 1071 O ASN A 71 -10.305 -14.793 8.679 1.00 0.00 O ATOM 1072 CB ASN A 71 -11.882 -11.787 8.260 1.00 0.00 C ATOM 1073 CG ASN A 71 -13.145 -11.621 9.083 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -13.087 -11.392 10.290 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -14.295 -11.735 8.429 1.00 0.00 N ATOM 0 H ASN A 71 -9.412 -12.630 7.447 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.707 -12.026 10.044 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.544 -10.809 7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.106 -12.377 7.371 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.178 -11.632 8.929 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.295 -11.926 7.427 1.00 0.00 H new ATOM 1082 N ALA A 72 -12.134 -14.278 9.883 1.00 0.00 N ATOM 1083 CA ALA A 72 -12.524 -15.668 10.089 1.00 0.00 C ATOM 1084 C ALA A 72 -12.365 -16.478 8.807 1.00 0.00 C ATOM 1085 O ALA A 72 -11.705 -17.516 8.797 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.959 -15.744 10.590 1.00 0.00 C ATOM 0 H ALA A 72 -12.759 -13.596 10.313 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.864 -16.098 10.843 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.237 -16.787 10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.044 -15.207 11.535 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.625 -15.293 9.855 1.00 0.00 H new ATOM 1092 N GLU A 73 -12.975 -15.997 7.728 1.00 0.00 N ATOM 1093 CA GLU A 73 -12.901 -16.679 6.442 1.00 0.00 C ATOM 1094 C GLU A 73 -11.604 -16.333 5.716 1.00 0.00 C ATOM 1095 O GLU A 73 -11.594 -16.137 4.501 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.102 -16.303 5.571 1.00 0.00 C ATOM 1097 CG GLU A 73 -15.353 -17.111 5.877 1.00 0.00 C ATOM 1098 CD GLU A 73 -16.499 -16.790 4.937 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -16.303 -16.885 3.708 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -17.592 -16.445 5.433 1.00 0.00 O ATOM 0 H GLU A 73 -13.525 -15.138 7.719 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.917 -17.753 6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.321 -15.244 5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.837 -16.442 4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.120 -18.174 5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.664 -16.917 6.903 1.00 0.00 H new ATOM 1107 N ASN A 74 -10.513 -16.258 6.470 1.00 0.00 N ATOM 1108 CA ASN A 74 -9.210 -15.936 5.899 1.00 0.00 C ATOM 1109 C ASN A 74 -9.325 -14.793 4.895 1.00 0.00 C ATOM 1110 O ASN A 74 -8.535 -14.695 3.955 1.00 0.00 O ATOM 1111 CB ASN A 74 -8.606 -17.167 5.221 1.00 0.00 C ATOM 1112 CG ASN A 74 -8.081 -18.178 6.221 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -8.506 -19.333 6.236 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -7.150 -17.747 7.065 1.00 0.00 N ATOM 0 H ASN A 74 -10.505 -16.416 7.478 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.554 -15.620 6.710 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.361 -17.640 4.593 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.794 -16.855 4.564 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.759 -18.382 7.761 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.826 -16.781 7.017 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.315 -13.930 5.098 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.534 -12.793 4.213 1.00 0.00 C ATOM 1123 C LYS A 75 -9.571 -11.656 4.540 1.00 0.00 C ATOM 1124 O LYS A 75 -9.462 -11.232 5.692 1.00 0.00 O ATOM 1125 CB LYS A 75 -11.978 -12.302 4.328 1.00 0.00 C ATOM 1126 CG LYS A 75 -12.948 -13.048 3.428 1.00 0.00 C ATOM 1127 CD LYS A 75 -14.129 -12.176 3.037 1.00 0.00 C ATOM 1128 CE LYS A 75 -15.335 -13.016 2.641 1.00 0.00 C ATOM 1129 NZ LYS A 75 -16.269 -12.263 1.758 1.00 0.00 N ATOM 0 H LYS A 75 -10.979 -13.997 5.869 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.349 -13.120 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.305 -12.402 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.012 -11.240 4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.429 -13.383 2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.307 -13.941 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.395 -11.526 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.846 -11.529 2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.998 -13.917 2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.864 -13.338 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.077 -12.869 1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.611 -11.416 2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.772 -11.977 0.890 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.877 -11.163 3.520 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.925 -10.073 3.699 1.00 0.00 C ATOM 1145 C LEU A 76 -8.588 -8.723 3.446 1.00 0.00 C ATOM 1146 O LEU A 76 -9.262 -8.531 2.435 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.732 -10.252 2.757 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.314 -11.693 2.469 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.529 -11.773 1.169 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.496 -12.253 3.624 1.00 0.00 C ATOM 0 H LEU A 76 -8.956 -11.501 2.561 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.573 -10.097 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.967 -9.767 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.877 -9.725 3.181 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.215 -12.297 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.240 -12.807 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.149 -11.414 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.635 -11.155 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.207 -13.280 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.601 -11.647 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.093 -12.234 4.536 1.00 0.00 H new ATOM 1162 N TYR A 77 -8.391 -7.791 4.372 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.970 -6.459 4.250 1.00 0.00 C ATOM 1164 C TYR A 77 -8.047 -5.405 4.855 1.00 0.00 C ATOM 1165 O TYR A 77 -7.423 -5.631 5.893 1.00 0.00 O ATOM 1166 CB TYR A 77 -10.336 -6.409 4.938 1.00 0.00 C ATOM 1167 CG TYR A 77 -10.284 -6.730 6.414 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.108 -8.037 6.855 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -10.410 -5.729 7.369 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.061 -8.335 8.203 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -10.362 -6.018 8.718 1.00 0.00 C ATOM 1172 CZ TYR A 77 -10.187 -7.323 9.130 1.00 0.00 C ATOM 1173 OH TYR A 77 -10.140 -7.615 10.474 1.00 0.00 O ATOM 0 H TYR A 77 -7.835 -7.934 5.215 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.095 -6.242 3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.763 -5.415 4.806 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.007 -7.113 4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.006 -8.832 6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.548 -4.706 7.050 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.926 -9.356 8.529 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.461 -5.227 9.447 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.243 -6.789 10.992 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.964 -4.254 4.197 1.00 0.00 N ATOM 1184 CA LEU A 78 -7.117 -3.164 4.669 1.00 0.00 C ATOM 1185 C LEU A 78 -7.925 -2.162 5.488 1.00 0.00 C ATOM 1186 O LEU A 78 -7.420 -1.581 6.448 1.00 0.00 O ATOM 1187 CB LEU A 78 -6.458 -2.455 3.483 1.00 0.00 C ATOM 1188 CG LEU A 78 -5.156 -3.073 2.972 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.668 -2.340 1.732 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -4.093 -3.053 4.059 1.00 0.00 C ATOM 0 H LEU A 78 -8.472 -4.051 3.336 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.343 -3.588 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.172 -2.427 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.259 -1.422 3.768 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.351 -4.111 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.741 -2.794 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.423 -2.408 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.490 -1.292 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.174 -3.497 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.901 -2.023 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.442 -3.624 4.919 1.00 0.00 H new ATOM 1202 N ALA A 79 -9.182 -1.967 5.104 1.00 0.00 N ATOM 1203 CA ALA A 79 -10.061 -1.040 5.806 1.00 0.00 C ATOM 1204 C ALA A 79 -11.236 -1.772 6.442 1.00 0.00 C ATOM 1205 O ALA A 79 -11.879 -2.605 5.804 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.560 0.037 4.854 1.00 0.00 C ATOM 0 H ALA A 79 -9.615 -2.439 4.310 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.487 -0.568 6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.215 0.722 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.710 0.588 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.112 -0.427 4.037 1.00 0.00 H new ATOM 1212 N GLU A 80 -11.511 -1.458 7.704 1.00 0.00 N ATOM 1213 CA GLU A 80 -12.610 -2.089 8.427 1.00 0.00 C ATOM 1214 C GLU A 80 -13.856 -2.179 7.551 1.00 0.00 C ATOM 1215 O GLU A 80 -14.479 -3.234 7.445 1.00 0.00 O ATOM 1216 CB GLU A 80 -12.925 -1.308 9.704 1.00 0.00 C ATOM 1217 CG GLU A 80 -11.835 -1.400 10.758 1.00 0.00 C ATOM 1218 CD GLU A 80 -12.193 -0.661 12.033 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -13.251 -0.971 12.620 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -11.414 0.224 12.444 1.00 0.00 O ATOM 0 H GLU A 80 -10.988 -0.771 8.247 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.302 -3.100 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.085 -0.260 9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.859 -1.679 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.647 -2.448 10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.909 -0.992 10.354 1.00 0.00 H new ATOM 1227 N ASN A 81 -14.214 -1.062 6.926 1.00 0.00 N ATOM 1228 CA ASN A 81 -15.387 -1.012 6.060 1.00 0.00 C ATOM 1229 C ASN A 81 -15.051 -1.517 4.660 1.00 0.00 C ATOM 1230 O ASN A 81 -15.491 -0.949 3.661 1.00 0.00 O ATOM 1231 CB ASN A 81 -15.929 0.416 5.983 1.00 0.00 C ATOM 1232 CG ASN A 81 -16.129 1.034 7.353 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -15.312 1.832 7.812 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -17.220 0.666 8.014 1.00 0.00 N ATOM 0 H ASN A 81 -13.709 -0.179 7.003 1.00 0.00 H new ATOM 0 HA ASN A 81 -16.152 -1.661 6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -15.239 1.033 5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -16.878 0.413 5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -17.408 1.048 8.941 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -17.870 0.001 7.595 1.00 0.00 H new ATOM 1241 N TYR A 82 -14.269 -2.590 4.596 1.00 0.00 N ATOM 1242 CA TYR A 82 -13.873 -3.171 3.319 1.00 0.00 C ATOM 1243 C TYR A 82 -13.515 -4.645 3.479 1.00 0.00 C ATOM 1244 O TYR A 82 -13.099 -5.081 4.554 1.00 0.00 O ATOM 1245 CB TYR A 82 -12.684 -2.407 2.734 1.00 0.00 C ATOM 1246 CG TYR A 82 -13.051 -1.049 2.178 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -13.104 0.069 3.002 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -13.344 -0.885 0.830 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -13.440 1.311 2.498 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -13.679 0.354 0.317 1.00 0.00 C ATOM 1251 CZ TYR A 82 -13.726 1.448 1.155 1.00 0.00 C ATOM 1252 OH TYR A 82 -14.059 2.683 0.649 1.00 0.00 O ATOM 0 H TYR A 82 -13.897 -3.074 5.413 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.719 -3.093 2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.927 -2.281 3.508 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.233 -3.005 1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.879 -0.035 4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.309 -1.740 0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.479 2.170 3.152 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.903 0.465 -0.734 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.762 3.084 1.201 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.681 -5.407 2.404 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.376 -6.834 2.423 1.00 0.00 C ATOM 1264 C CYS A 83 -13.179 -7.368 1.008 1.00 0.00 C ATOM 1265 O CYS A 83 -13.928 -7.022 0.093 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.496 -7.607 3.121 1.00 0.00 C ATOM 1267 SG CYS A 83 -16.092 -7.520 2.274 1.00 0.00 S ATOM 0 H CYS A 83 -14.025 -5.061 1.508 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.448 -6.974 2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -14.201 -8.652 3.210 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.613 -7.221 4.134 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.899 -7.339 1.001 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.165 -8.209 0.834 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.867 -8.787 -0.469 1.00 0.00 C ATOM 1275 C PHE A 84 -11.397 -10.233 -0.329 1.00 0.00 C ATOM 1276 O PHE A 84 -11.386 -10.789 0.769 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.799 -7.960 -1.188 1.00 0.00 C ATOM 1278 CG PHE A 84 -11.264 -6.585 -1.572 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -11.366 -5.581 -0.621 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -11.600 -6.294 -2.885 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -11.795 -4.316 -0.972 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -12.029 -5.030 -3.242 1.00 0.00 C ATOM 1283 CZ PHE A 84 -12.125 -4.039 -2.284 1.00 0.00 C ATOM 0 H PHE A 84 -11.536 -8.505 1.580 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.783 -8.776 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.924 -7.872 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.482 -8.492 -2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.107 -5.791 0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.526 -7.065 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.872 -3.544 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -12.289 -4.817 -4.268 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.458 -3.049 -2.561 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.010 -10.834 -1.449 1.00 0.00 N ATOM 1294 CA ASP A 85 -10.539 -12.214 -1.452 1.00 0.00 C ATOM 1295 C ASP A 85 -9.045 -12.277 -1.755 1.00 0.00 C ATOM 1296 O ASP A 85 -8.346 -13.177 -1.290 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.315 -13.039 -2.480 1.00 0.00 C ATOM 1298 CG ASP A 85 -12.744 -13.304 -2.048 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -13.348 -12.414 -1.413 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -13.259 -14.402 -2.347 1.00 0.00 O ATOM 0 H ASP A 85 -11.013 -10.387 -2.366 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.709 -12.632 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.318 -12.514 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.804 -13.989 -2.640 1.00 0.00 H new ATOM 1305 N SER A 86 -8.563 -11.316 -2.536 1.00 0.00 N ATOM 1306 CA SER A 86 -7.154 -11.265 -2.905 1.00 0.00 C ATOM 1307 C SER A 86 -6.556 -9.901 -2.577 1.00 0.00 C ATOM 1308 O SER A 86 -7.275 -8.909 -2.455 1.00 0.00 O ATOM 1309 CB SER A 86 -6.984 -11.564 -4.396 1.00 0.00 C ATOM 1310 OG SER A 86 -7.361 -12.898 -4.695 1.00 0.00 O ATOM 0 H SER A 86 -9.128 -10.562 -2.926 1.00 0.00 H new ATOM 0 HA SER A 86 -6.625 -12.023 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.590 -10.872 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.946 -11.402 -4.687 1.00 0.00 H new ATOM 0 HG SER A 86 -7.245 -13.064 -5.654 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.235 -9.860 -2.436 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.539 -8.617 -2.124 1.00 0.00 C ATOM 1318 C ILE A 87 -4.626 -7.632 -3.284 1.00 0.00 C ATOM 1319 O ILE A 87 -5.113 -6.510 -3.143 1.00 0.00 O ATOM 1320 CB ILE A 87 -3.057 -8.871 -1.790 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.883 -9.106 -0.289 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -2.203 -7.699 -2.251 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -1.640 -9.896 0.059 1.00 0.00 C ATOM 0 H ILE A 87 -4.626 -10.672 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.032 -8.190 -1.251 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.728 -9.766 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.846 -8.143 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.758 -9.634 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.158 -7.893 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.308 -7.574 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.530 -6.790 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.581 -10.024 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.684 -10.874 -0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.758 -9.360 -0.291 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.143 -8.058 -4.460 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.157 -7.229 -5.670 1.00 0.00 C ATOM 1337 C PRO A 88 -5.567 -7.020 -6.212 1.00 0.00 C ATOM 1338 O PRO A 88 -5.758 -6.361 -7.234 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.317 -8.036 -6.663 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.435 -9.448 -6.199 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.548 -9.383 -4.701 1.00 0.00 C ATOM 0 HA PRO A 88 -3.773 -6.227 -5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.689 -7.921 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.278 -7.705 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.309 -9.931 -6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.565 -10.032 -6.500 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.177 -10.183 -4.311 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.575 -9.480 -4.220 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.552 -7.585 -5.522 1.00 0.00 N ATOM 1350 CA LYS A 89 -7.945 -7.458 -5.934 1.00 0.00 C ATOM 1351 C LYS A 89 -8.628 -6.311 -5.197 1.00 0.00 C ATOM 1352 O LYS A 89 -9.674 -5.821 -5.623 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.696 -8.766 -5.670 1.00 0.00 C ATOM 1354 CG LYS A 89 -10.182 -8.685 -5.973 1.00 0.00 C ATOM 1355 CD LYS A 89 -10.738 -10.032 -6.400 1.00 0.00 C ATOM 1356 CE LYS A 89 -10.480 -10.300 -7.876 1.00 0.00 C ATOM 1357 NZ LYS A 89 -11.582 -9.784 -8.735 1.00 0.00 N ATOM 0 H LYS A 89 -6.411 -8.135 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.964 -7.243 -7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.253 -9.558 -6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.561 -9.048 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.716 -8.334 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.354 -7.953 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.283 -10.821 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.810 -10.062 -6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.541 -9.833 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.367 -11.372 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.368 -9.986 -9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.474 -10.248 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.674 -8.757 -8.602 1.00 0.00 H new ATOM 1371 N LEU A 90 -8.029 -5.885 -4.089 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.579 -4.793 -3.294 1.00 0.00 C ATOM 1373 C LEU A 90 -8.004 -3.452 -3.739 1.00 0.00 C ATOM 1374 O LEU A 90 -8.743 -2.492 -3.960 1.00 0.00 O ATOM 1375 CB LEU A 90 -8.286 -5.018 -1.810 1.00 0.00 C ATOM 1376 CG LEU A 90 -8.221 -3.763 -0.939 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -8.456 -4.113 0.521 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.882 -3.062 -1.114 1.00 0.00 C ATOM 0 H LEU A 90 -7.163 -6.279 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.658 -4.774 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.054 -5.677 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.336 -5.545 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.010 -3.081 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.406 -3.207 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.440 -4.569 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.691 -4.814 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.853 -2.171 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.077 -3.737 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.755 -2.775 -2.158 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.684 -3.395 -3.871 1.00 0.00 N ATOM 1391 CA ILE A 91 -6.011 -2.172 -4.294 1.00 0.00 C ATOM 1392 C ILE A 91 -6.697 -1.560 -5.510 1.00 0.00 C ATOM 1393 O ILE A 91 -6.855 -0.341 -5.599 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.530 -2.432 -4.630 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.786 -2.942 -3.395 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.878 -1.165 -5.162 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.819 -1.979 -2.228 1.00 0.00 C ATOM 0 H ILE A 91 -6.059 -4.181 -3.691 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.068 -1.475 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.477 -3.197 -5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.222 -3.891 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.748 -3.140 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.832 -1.364 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.395 -0.841 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.939 -0.380 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.272 -2.407 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.356 -1.037 -2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.853 -1.799 -1.934 1.00 0.00 H new ATOM 1409 N HIS A 92 -7.105 -2.412 -6.445 1.00 0.00 N ATOM 1410 CA HIS A 92 -7.776 -1.954 -7.656 1.00 0.00 C ATOM 1411 C HIS A 92 -8.826 -0.896 -7.329 1.00 0.00 C ATOM 1412 O HIS A 92 -8.905 0.139 -7.990 1.00 0.00 O ATOM 1413 CB HIS A 92 -8.431 -3.133 -8.377 1.00 0.00 C ATOM 1414 CG HIS A 92 -9.077 -2.757 -9.675 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -8.503 -3.012 -10.903 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -10.256 -2.143 -9.933 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -9.300 -2.569 -11.859 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -10.370 -2.038 -11.297 1.00 0.00 N ATOM 0 H HIS A 92 -6.983 -3.423 -6.387 1.00 0.00 H new ATOM 0 HA HIS A 92 -7.027 -1.507 -8.310 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.677 -3.898 -8.564 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.181 -3.577 -7.723 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -10.973 -1.800 -9.202 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.109 -2.631 -12.920 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -11.154 -1.618 -11.796 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.629 -1.163 -6.305 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.675 -0.236 -5.891 1.00 0.00 C ATOM 1429 C TYR A 93 -10.073 1.058 -5.350 1.00 0.00 C ATOM 1430 O TYR A 93 -10.290 2.136 -5.903 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.567 -0.880 -4.830 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.901 -0.190 -4.658 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.774 -0.047 -5.730 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -13.288 0.321 -3.426 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -14.993 0.584 -5.579 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -14.506 0.953 -3.265 1.00 0.00 C ATOM 1437 CZ TYR A 93 -15.355 1.082 -4.344 1.00 0.00 C ATOM 1438 OH TYR A 93 -16.569 1.711 -4.188 1.00 0.00 O ATOM 0 H TYR A 93 -9.575 -2.015 -5.746 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.280 0.004 -6.766 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.739 -1.923 -5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.041 -0.878 -3.875 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.494 -0.436 -6.698 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.625 0.223 -2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.659 0.687 -6.423 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.792 1.344 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.670 2.002 -3.258 1.00 0.00 H new ATOM 1448 N HIS A 94 -9.317 0.940 -4.263 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.682 2.099 -3.646 1.00 0.00 C ATOM 1450 C HIS A 94 -7.965 2.948 -4.692 1.00 0.00 C ATOM 1451 O HIS A 94 -7.870 4.168 -4.555 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.692 1.653 -2.570 1.00 0.00 C ATOM 1453 CG HIS A 94 -8.337 1.338 -1.256 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -8.640 2.300 -0.316 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.740 0.159 -0.726 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -9.199 1.727 0.734 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -9.271 0.427 0.510 1.00 0.00 N ATOM 0 H HIS A 94 -9.129 0.055 -3.792 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.461 2.705 -3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.157 0.772 -2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.950 2.438 -2.422 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.658 -0.813 -1.190 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.539 2.235 1.624 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.658 -0.265 1.152 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.463 2.294 -5.735 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.754 2.990 -6.802 1.00 0.00 C ATOM 1468 C GLN A 95 -7.583 4.152 -7.339 1.00 0.00 C ATOM 1469 O GLN A 95 -7.101 5.282 -7.430 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.420 2.020 -7.937 1.00 0.00 C ATOM 1471 CG GLN A 95 -5.177 2.408 -8.721 1.00 0.00 C ATOM 1472 CD GLN A 95 -5.458 3.459 -9.778 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -5.896 4.566 -9.467 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -5.206 3.116 -11.036 1.00 0.00 N ATOM 0 H GLN A 95 -7.534 1.285 -5.864 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.828 3.389 -6.389 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.281 1.022 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.268 1.966 -8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.420 2.784 -8.032 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.761 1.521 -9.198 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.843 2.187 -11.248 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.375 3.782 -11.790 1.00 0.00 H new ATOM 1483 N HIS A 96 -8.832 3.869 -7.694 1.00 0.00 N ATOM 1484 CA HIS A 96 -9.729 4.891 -8.221 1.00 0.00 C ATOM 1485 C HIS A 96 -10.224 5.807 -7.106 1.00 0.00 C ATOM 1486 O HIS A 96 -10.142 7.030 -7.213 1.00 0.00 O ATOM 1487 CB HIS A 96 -10.918 4.241 -8.928 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.549 3.532 -10.195 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -11.460 3.235 -11.185 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -9.355 3.061 -10.630 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -10.844 2.611 -12.175 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -9.567 2.493 -11.862 1.00 0.00 N ATOM 0 H HIS A 96 -9.246 2.939 -7.626 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.172 5.492 -8.940 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.390 3.531 -8.249 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.659 5.008 -9.153 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.413 3.121 -10.106 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -11.307 2.258 -13.085 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -8.853 2.051 -12.442 1.00 0.00 H new ATOM 1501 N ASN A 97 -10.737 5.207 -6.038 1.00 0.00 N ATOM 1502 CA ASN A 97 -11.247 5.970 -4.904 1.00 0.00 C ATOM 1503 C ASN A 97 -11.019 5.218 -3.596 1.00 0.00 C ATOM 1504 O ASN A 97 -11.446 4.073 -3.444 1.00 0.00 O ATOM 1505 CB ASN A 97 -12.739 6.260 -5.086 1.00 0.00 C ATOM 1506 CG ASN A 97 -13.607 5.076 -4.708 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -14.218 5.057 -3.639 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -13.666 4.081 -5.586 1.00 0.00 N ATOM 0 H ASN A 97 -10.811 4.195 -5.933 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.704 6.914 -4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.016 7.120 -4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.930 6.530 -6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.235 3.258 -5.387 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.143 4.140 -6.460 1.00 0.00 H new ATOM 1515 N SER A 98 -10.345 5.870 -2.655 1.00 0.00 N ATOM 1516 CA SER A 98 -10.058 5.262 -1.360 1.00 0.00 C ATOM 1517 C SER A 98 -11.045 5.745 -0.302 1.00 0.00 C ATOM 1518 O SER A 98 -11.932 6.550 -0.587 1.00 0.00 O ATOM 1519 CB SER A 98 -8.627 5.588 -0.926 1.00 0.00 C ATOM 1520 OG SER A 98 -7.712 4.628 -1.425 1.00 0.00 O ATOM 0 H SER A 98 -9.987 6.819 -2.764 1.00 0.00 H new ATOM 0 HA SER A 98 -10.162 4.182 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.351 6.579 -1.286 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.571 5.617 0.162 1.00 0.00 H new ATOM 0 HG SER A 98 -7.692 3.853 -0.825 1.00 0.00 H new ATOM 1526 N ALA A 99 -10.883 5.248 0.919 1.00 0.00 N ATOM 1527 CA ALA A 99 -11.758 5.629 2.021 1.00 0.00 C ATOM 1528 C ALA A 99 -11.015 5.588 3.352 1.00 0.00 C ATOM 1529 O ALA A 99 -9.856 5.179 3.414 1.00 0.00 O ATOM 1530 CB ALA A 99 -12.976 4.719 2.067 1.00 0.00 C ATOM 0 H ALA A 99 -10.154 4.580 1.171 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.089 6.653 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.620 5.015 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.527 4.801 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.654 3.687 2.209 1.00 0.00 H new ATOM 1536 N GLY A 100 -11.688 6.018 4.415 1.00 0.00 N ATOM 1537 CA GLY A 100 -11.074 6.024 5.730 1.00 0.00 C ATOM 1538 C GLY A 100 -9.736 6.734 5.742 1.00 0.00 C ATOM 1539 O GLY A 100 -9.454 7.556 4.871 1.00 0.00 O ATOM 0 H GLY A 100 -12.648 6.362 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.745 6.509 6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.940 4.997 6.070 1.00 0.00 H new ATOM 1543 N MET A 101 -8.908 6.417 6.733 1.00 0.00 N ATOM 1544 CA MET A 101 -7.591 7.031 6.854 1.00 0.00 C ATOM 1545 C MET A 101 -6.740 6.742 5.622 1.00 0.00 C ATOM 1546 O MET A 101 -5.792 7.469 5.327 1.00 0.00 O ATOM 1547 CB MET A 101 -6.881 6.523 8.110 1.00 0.00 C ATOM 1548 CG MET A 101 -7.171 7.353 9.350 1.00 0.00 C ATOM 1549 SD MET A 101 -8.660 6.814 10.214 1.00 0.00 S ATOM 1550 CE MET A 101 -9.530 8.370 10.390 1.00 0.00 C ATOM 0 H MET A 101 -9.126 5.739 7.463 1.00 0.00 H new ATOM 0 HA MET A 101 -7.727 8.110 6.934 1.00 0.00 H new ATOM 0 HB2 MET A 101 -7.181 5.492 8.295 1.00 0.00 H new ATOM 0 HB3 MET A 101 -5.806 6.515 7.931 1.00 0.00 H new ATOM 0 HG2 MET A 101 -6.320 7.294 10.029 1.00 0.00 H new ATOM 0 HG3 MET A 101 -7.280 8.399 9.065 1.00 0.00 H new ATOM 0 HE1 MET A 101 -10.475 8.202 10.907 1.00 0.00 H new ATOM 0 HE2 MET A 101 -8.919 9.065 10.966 1.00 0.00 H new ATOM 0 HE3 MET A 101 -9.726 8.791 9.404 1.00 0.00 H new ATOM 1560 N ILE A 102 -7.085 5.676 4.907 1.00 0.00 N ATOM 1561 CA ILE A 102 -6.353 5.292 3.708 1.00 0.00 C ATOM 1562 C ILE A 102 -6.377 6.407 2.668 1.00 0.00 C ATOM 1563 O ILE A 102 -7.442 6.824 2.213 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.931 4.009 3.082 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -6.846 2.848 4.075 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -6.193 3.668 1.796 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -7.603 1.616 3.630 1.00 0.00 C ATOM 0 H ILE A 102 -7.867 5.063 5.138 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.323 5.106 4.013 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.980 4.181 2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.799 2.586 4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.236 3.176 5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.613 2.759 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.300 4.489 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.136 3.512 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.499 0.834 4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -8.658 1.862 3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.199 1.263 2.681 1.00 0.00 H new ATOM 1579 N THR A 103 -5.194 6.886 2.293 1.00 0.00 N ATOM 1580 CA THR A 103 -5.079 7.951 1.306 1.00 0.00 C ATOM 1581 C THR A 103 -5.044 7.389 -0.110 1.00 0.00 C ATOM 1582 O THR A 103 -4.401 6.371 -0.367 1.00 0.00 O ATOM 1583 CB THR A 103 -3.815 8.800 1.542 1.00 0.00 C ATOM 1584 OG1 THR A 103 -3.734 9.190 2.917 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.822 10.038 0.658 1.00 0.00 C ATOM 0 H THR A 103 -4.302 6.552 2.659 1.00 0.00 H new ATOM 0 HA THR A 103 -5.960 8.583 1.419 1.00 0.00 H new ATOM 0 HB THR A 103 -2.946 8.194 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.927 9.728 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.920 10.622 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.852 9.737 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.699 10.643 0.887 1.00 0.00 H new ATOM 1593 N ARG A 104 -5.737 8.058 -1.025 1.00 0.00 N ATOM 1594 CA ARG A 104 -5.786 7.623 -2.415 1.00 0.00 C ATOM 1595 C ARG A 104 -4.417 7.134 -2.880 1.00 0.00 C ATOM 1596 O ARG A 104 -3.394 7.447 -2.269 1.00 0.00 O ATOM 1597 CB ARG A 104 -6.262 8.766 -3.314 1.00 0.00 C ATOM 1598 CG ARG A 104 -5.213 9.844 -3.534 1.00 0.00 C ATOM 1599 CD ARG A 104 -5.291 10.924 -2.467 1.00 0.00 C ATOM 1600 NE ARG A 104 -4.088 11.752 -2.436 1.00 0.00 N ATOM 1601 CZ ARG A 104 -4.002 12.900 -1.774 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -5.044 13.355 -1.092 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -2.872 13.596 -1.795 1.00 0.00 N ATOM 0 H ARG A 104 -6.272 8.904 -0.829 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.493 6.796 -2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.560 8.358 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.150 9.219 -2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.220 9.394 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.352 10.292 -4.518 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.160 11.555 -2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -5.437 10.460 -1.492 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.269 11.431 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.914 12.823 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.975 14.237 -0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.069 13.249 -2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.807 14.478 -1.286 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.406 6.364 -3.962 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.162 5.830 -4.509 1.00 0.00 C ATOM 1619 C LEU A 105 -2.736 6.607 -5.750 1.00 0.00 C ATOM 1620 O LEU A 105 -2.894 6.135 -6.876 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.328 4.349 -4.853 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.866 3.456 -3.733 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.466 2.008 -3.967 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -3.365 3.938 -2.380 1.00 0.00 C ATOM 0 H LEU A 105 -5.243 6.095 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.385 5.936 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.998 4.268 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.360 3.959 -5.168 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.954 3.516 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.857 1.388 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.874 1.667 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.379 1.930 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.757 3.291 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.276 3.908 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.703 4.960 -2.210 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.192 7.801 -5.536 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.740 8.644 -6.637 1.00 0.00 C ATOM 1638 C ARG A 106 -1.045 7.810 -7.710 1.00 0.00 C ATOM 1639 O ARG A 106 -1.385 7.890 -8.891 1.00 0.00 O ATOM 1640 CB ARG A 106 -0.791 9.727 -6.123 1.00 0.00 C ATOM 1641 CG ARG A 106 -0.187 10.582 -7.226 1.00 0.00 C ATOM 1642 CD ARG A 106 -1.087 11.757 -7.575 1.00 0.00 C ATOM 1643 NE ARG A 106 -0.805 12.285 -8.906 1.00 0.00 N ATOM 1644 CZ ARG A 106 -1.263 11.736 -10.027 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -2.021 10.650 -9.975 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -0.964 12.275 -11.202 1.00 0.00 N ATOM 0 H ARG A 106 -2.054 8.206 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.615 9.119 -7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.331 10.372 -5.430 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.014 9.255 -5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.789 10.951 -6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.024 9.971 -8.114 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.130 11.443 -7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.955 12.547 -6.836 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.225 13.121 -8.980 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.254 10.234 -9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.371 10.231 -10.836 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.382 13.112 -11.246 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.316 11.853 -12.061 1.00 0.00 H new ATOM 1660 N HIS A 107 -0.070 7.011 -7.290 1.00 0.00 N ATOM 1661 CA HIS A 107 0.674 6.162 -8.216 1.00 0.00 C ATOM 1662 C HIS A 107 1.399 5.048 -7.467 1.00 0.00 C ATOM 1663 O HIS A 107 1.824 5.209 -6.323 1.00 0.00 O ATOM 1664 CB HIS A 107 1.680 6.996 -9.010 1.00 0.00 C ATOM 1665 CG HIS A 107 1.117 7.565 -10.277 1.00 0.00 C ATOM 1666 ND1 HIS A 107 0.845 6.798 -11.390 1.00 0.00 N ATOM 1667 CD2 HIS A 107 0.776 8.834 -10.602 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.361 7.571 -12.346 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.309 8.810 -11.893 1.00 0.00 N ATOM 0 H HIS A 107 0.224 6.933 -6.316 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.037 5.710 -8.907 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.039 7.812 -8.383 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.543 6.376 -9.252 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.856 9.703 -9.965 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.059 7.245 -13.330 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.024 9.619 -12.417 1.00 0.00 H new ATOM 1678 N PRO A 108 1.542 3.888 -8.126 1.00 0.00 N ATOM 1679 CA PRO A 108 2.214 2.724 -7.542 1.00 0.00 C ATOM 1680 C PRO A 108 3.717 2.937 -7.390 1.00 0.00 C ATOM 1681 O PRO A 108 4.306 3.775 -8.073 1.00 0.00 O ATOM 1682 CB PRO A 108 1.932 1.608 -8.550 1.00 0.00 C ATOM 1683 CG PRO A 108 1.707 2.313 -9.843 1.00 0.00 C ATOM 1684 CD PRO A 108 1.060 3.624 -9.492 1.00 0.00 C ATOM 0 HA PRO A 108 1.854 2.509 -6.536 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.770 0.915 -8.618 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.058 1.024 -8.260 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.648 2.471 -10.370 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.067 1.726 -10.502 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.355 4.415 -10.182 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.027 3.558 -9.529 1.00 0.00 H new ATOM 1692 N VAL A 109 4.331 2.173 -6.493 1.00 0.00 N ATOM 1693 CA VAL A 109 5.766 2.278 -6.254 1.00 0.00 C ATOM 1694 C VAL A 109 6.382 0.906 -5.998 1.00 0.00 C ATOM 1695 O VAL A 109 5.826 0.093 -5.261 1.00 0.00 O ATOM 1696 CB VAL A 109 6.070 3.197 -5.056 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.564 3.235 -4.777 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.530 4.595 -5.308 1.00 0.00 C ATOM 0 H VAL A 109 3.858 1.475 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 109 6.206 2.709 -7.153 1.00 0.00 H new ATOM 0 HB VAL A 109 5.571 2.793 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.759 3.889 -3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.917 2.229 -4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.088 3.614 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.753 5.231 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 109 5.998 5.010 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.451 4.548 -5.453 1.00 0.00 H new ATOM 1708 N SER A 110 7.534 0.658 -6.611 1.00 0.00 N ATOM 1709 CA SER A 110 8.226 -0.616 -6.452 1.00 0.00 C ATOM 1710 C SER A 110 9.615 -0.410 -5.858 1.00 0.00 C ATOM 1711 O SER A 110 10.499 -1.251 -6.015 1.00 0.00 O ATOM 1712 CB SER A 110 8.336 -1.332 -7.800 1.00 0.00 C ATOM 1713 OG SER A 110 9.097 -0.570 -8.721 1.00 0.00 O ATOM 0 H SER A 110 8.009 1.322 -7.223 1.00 0.00 H new ATOM 0 HA SER A 110 7.645 -1.233 -5.767 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.800 -2.308 -7.660 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.339 -1.508 -8.205 1.00 0.00 H new ATOM 0 HG SER A 110 9.154 -1.049 -9.574 1.00 0.00 H new