USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 712 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 79 ASN :FLIP amide:sc= 0.0167 F(o=-5.2,f=-4.1) USER MOD Set 1.2: A 85 HIS : no HE2:sc= -0.663 K(o=-4.1,f=-6.6) USER MOD Set 1.3: A 86 CYS SG : rot 76:sc= -0.44 USER MOD Set 1.4: A 91 HIS : no HE2:sc= -3.05 K(o=-4.1,f=-8.3!) USER MOD Set 1.5: A 98 HIS : no HD1:sc= 0.0157 K(o=-4.1,f=-5.2) USER MOD Set 2.1: A 54 SER OG : rot 170:sc= 0.451 USER MOD Set 2.2: A 55 ASN : amide:sc= 0.411 K(o=0.86,f=-0.0011) USER MOD Single : A 6 THR OG1 : rot -1:sc= 0.816 USER MOD Single : A 8 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-2.3) USER MOD Single : A 10 GLN : amide:sc= -0.0461 X(o=-0.046,f=-0.23) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= 0.735 (180deg=0.646) USER MOD Single : A 19 GLN : amide:sc= 0.943 K(o=0.94,f=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.187 X(o=0.19,f=-0.0031) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 46 GLN : amide:sc=-0.000822 X(o=-0.00082,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0355) USER MOD Single : A 57 HIS : no HE2:sc= 0.829 K(o=0.83,f=-3!) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.544 USER MOD Single : A 66 HIS : no HD1:sc= -0.754 X(o=-0.75,f=-0.44) USER MOD Single : A 68 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.44) USER MOD Single : A 88 THR OG1 : rot -31:sc= 0.458 USER MOD Single : A 100 HIS : no HE2:sc= -0.323 K(o=-0.32,f=-1.9) USER MOD Single : A 101 SER OG : rot 25:sc= 1.04 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 6 -13.326 -5.806 3.722 1.00 0.00 N ATOM 60 CA THR A 6 -12.066 -5.165 4.097 1.00 0.00 C ATOM 61 C THR A 6 -10.889 -6.110 3.797 1.00 0.00 C ATOM 62 O THR A 6 -11.024 -7.318 4.042 1.00 0.00 O ATOM 63 CB THR A 6 -12.112 -4.789 5.606 1.00 0.00 C ATOM 64 OG1 THR A 6 -13.302 -5.226 6.246 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.020 -3.294 5.894 1.00 0.00 C ATOM 0 HA THR A 6 -11.924 -4.255 3.515 1.00 0.00 H new ATOM 0 HB THR A 6 -11.230 -5.297 5.996 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.880 -5.672 5.592 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.060 -3.128 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.081 -2.905 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.854 -2.779 5.416 1.00 0.00 H new ATOM 73 N PRO A 7 -9.716 -5.597 3.364 1.00 0.00 N ATOM 74 CA PRO A 7 -8.577 -6.442 3.015 1.00 0.00 C ATOM 75 C PRO A 7 -8.025 -7.183 4.230 1.00 0.00 C ATOM 76 O PRO A 7 -7.860 -8.396 4.168 1.00 0.00 O ATOM 77 CB PRO A 7 -7.522 -5.524 2.398 1.00 0.00 C ATOM 78 CG PRO A 7 -7.867 -4.162 2.985 1.00 0.00 C ATOM 79 CD PRO A 7 -9.390 -4.208 3.060 1.00 0.00 C ATOM 0 HA PRO A 7 -8.881 -7.216 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.512 -5.834 2.665 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.577 -5.520 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.417 -4.018 3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.517 -3.347 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.767 -3.537 3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.840 -3.895 2.118 1.00 0.00 H new ATOM 87 N HIS A 8 -7.806 -6.504 5.358 1.00 0.00 N ATOM 88 CA HIS A 8 -7.478 -7.126 6.633 1.00 0.00 C ATOM 89 C HIS A 8 -8.108 -6.256 7.723 1.00 0.00 C ATOM 90 O HIS A 8 -8.141 -5.034 7.552 1.00 0.00 O ATOM 91 CB HIS A 8 -5.950 -7.200 6.803 1.00 0.00 C ATOM 92 CG HIS A 8 -5.480 -8.313 7.698 1.00 0.00 C ATOM 93 ND1 HIS A 8 -4.725 -8.196 8.841 1.00 0.00 N ATOM 94 CD2 HIS A 8 -5.663 -9.645 7.465 1.00 0.00 C ATOM 95 CE1 HIS A 8 -4.496 -9.439 9.305 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.046 -10.354 8.496 1.00 0.00 N ATOM 0 H HIS A 8 -7.854 -5.486 5.407 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.861 -8.145 6.690 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.492 -7.321 5.821 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.595 -6.251 7.205 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.193 -10.075 6.628 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.945 -9.667 10.205 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.019 -11.367 8.611 1.00 0.00 H new ATOM 104 N PRO A 9 -8.582 -6.827 8.840 1.00 0.00 N ATOM 105 CA PRO A 9 -9.111 -6.043 9.946 1.00 0.00 C ATOM 106 C PRO A 9 -7.989 -5.356 10.729 1.00 0.00 C ATOM 107 O PRO A 9 -8.177 -4.243 11.214 1.00 0.00 O ATOM 108 CB PRO A 9 -9.874 -7.041 10.816 1.00 0.00 C ATOM 109 CG PRO A 9 -9.169 -8.364 10.542 1.00 0.00 C ATOM 110 CD PRO A 9 -8.723 -8.251 9.093 1.00 0.00 C ATOM 0 HA PRO A 9 -9.758 -5.238 9.598 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.826 -6.772 11.871 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.929 -7.085 10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.320 -8.510 11.210 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.839 -9.211 10.688 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.780 -8.774 8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.455 -8.698 8.421 1.00 0.00 H new ATOM 118 N GLN A 10 -6.831 -6.013 10.844 1.00 0.00 N ATOM 119 CA GLN A 10 -5.654 -5.518 11.553 1.00 0.00 C ATOM 120 C GLN A 10 -4.887 -4.447 10.769 1.00 0.00 C ATOM 121 O GLN A 10 -3.958 -3.868 11.326 1.00 0.00 O ATOM 122 CB GLN A 10 -4.743 -6.719 11.889 1.00 0.00 C ATOM 123 CG GLN A 10 -4.834 -7.160 13.348 1.00 0.00 C ATOM 124 CD GLN A 10 -6.272 -7.349 13.820 1.00 0.00 C ATOM 125 OE1 GLN A 10 -6.981 -8.259 13.399 1.00 0.00 O ATOM 126 NE2 GLN A 10 -6.752 -6.465 14.674 1.00 0.00 N ATOM 0 H GLN A 10 -6.685 -6.934 10.431 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.988 -5.028 12.467 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.009 -7.558 11.246 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.710 -6.457 11.660 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.289 -8.095 13.475 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.344 -6.418 13.978 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.156 -5.713 15.018 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.719 -6.534 14.990 1.00 0.00 H new ATOM 135 N LEU A 11 -5.247 -4.193 9.508 1.00 0.00 N ATOM 136 CA LEU A 11 -4.742 -3.072 8.719 1.00 0.00 C ATOM 137 C LEU A 11 -5.111 -1.764 9.429 1.00 0.00 C ATOM 138 O LEU A 11 -6.278 -1.373 9.460 1.00 0.00 O ATOM 139 CB LEU A 11 -5.314 -3.159 7.289 1.00 0.00 C ATOM 140 CG LEU A 11 -4.772 -2.146 6.259 1.00 0.00 C ATOM 141 CD1 LEU A 11 -5.306 -2.509 4.872 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.178 -0.701 6.563 1.00 0.00 C ATOM 0 H LEU A 11 -5.912 -4.775 8.999 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.656 -3.105 8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.126 -4.163 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.396 -3.037 7.348 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.684 -2.202 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.927 -1.797 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.976 -3.514 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.395 -2.475 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.765 -0.039 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.265 -0.621 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.793 -0.413 7.541 1.00 0.00 H new ATOM 154 N ILE A 12 -4.125 -1.092 10.020 1.00 0.00 N ATOM 155 CA ILE A 12 -4.288 0.238 10.589 1.00 0.00 C ATOM 156 C ILE A 12 -4.127 1.257 9.453 1.00 0.00 C ATOM 157 O ILE A 12 -3.010 1.543 9.042 1.00 0.00 O ATOM 158 CB ILE A 12 -3.258 0.461 11.717 1.00 0.00 C ATOM 159 CG1 ILE A 12 -3.201 -0.668 12.759 1.00 0.00 C ATOM 160 CG2 ILE A 12 -3.526 1.794 12.431 1.00 0.00 C ATOM 161 CD1 ILE A 12 -4.518 -0.957 13.484 1.00 0.00 C ATOM 0 H ILE A 12 -3.180 -1.463 10.117 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.275 0.355 11.036 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.288 0.474 11.220 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.870 -1.581 12.264 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.444 -0.416 13.502 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.791 1.936 13.224 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.450 2.612 11.715 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.527 1.781 12.862 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.371 -1.769 14.196 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.845 -0.063 14.015 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.278 -1.245 12.757 1.00 0.00 H new ATOM 173 N TRP A 13 -5.227 1.785 8.909 1.00 0.00 N ATOM 174 CA TRP A 13 -5.179 2.793 7.840 1.00 0.00 C ATOM 175 C TRP A 13 -4.350 4.027 8.256 1.00 0.00 C ATOM 176 O TRP A 13 -4.287 4.341 9.453 1.00 0.00 O ATOM 177 CB TRP A 13 -6.612 3.186 7.447 1.00 0.00 C ATOM 178 CG TRP A 13 -7.507 2.046 7.059 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.264 1.314 7.909 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.672 1.425 5.745 1.00 0.00 C ATOM 181 NE1 TRP A 13 -8.946 0.344 7.205 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.534 0.297 5.889 1.00 0.00 C ATOM 183 CE3 TRP A 13 -7.132 1.654 4.461 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.804 -0.586 4.833 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -7.403 0.779 3.391 1.00 0.00 C ATOM 186 CH2 TRP A 13 -8.221 -0.349 3.579 1.00 0.00 C ATOM 0 H TRP A 13 -6.172 1.529 9.194 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.678 2.361 6.973 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.068 3.716 8.283 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.563 3.887 6.614 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.325 1.466 8.976 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.663 -0.261 7.606 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.500 2.515 4.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.452 -1.437 4.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.979 0.976 2.418 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.400 -1.031 2.761 1.00 0.00 H new ATOM 197 N PRO A 14 -3.788 4.782 7.296 1.00 0.00 N ATOM 198 CA PRO A 14 -3.814 4.490 5.867 1.00 0.00 C ATOM 199 C PRO A 14 -2.997 3.251 5.482 1.00 0.00 C ATOM 200 O PRO A 14 -2.243 2.719 6.296 1.00 0.00 O ATOM 201 CB PRO A 14 -3.224 5.714 5.191 1.00 0.00 C ATOM 202 CG PRO A 14 -2.402 6.430 6.254 1.00 0.00 C ATOM 203 CD PRO A 14 -3.077 6.025 7.557 1.00 0.00 C ATOM 0 HA PRO A 14 -4.837 4.274 5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.601 5.428 4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.010 6.362 4.804 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.357 6.120 6.230 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.417 7.511 6.113 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.339 5.889 8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.765 6.801 7.893 1.00 0.00 H new ATOM 211 N ALA A 15 -3.151 2.797 4.237 1.00 0.00 N ATOM 212 CA ALA A 15 -2.395 1.684 3.690 1.00 0.00 C ATOM 213 C ALA A 15 -1.902 1.996 2.285 1.00 0.00 C ATOM 214 O ALA A 15 -2.320 2.969 1.661 1.00 0.00 O ATOM 215 CB ALA A 15 -3.251 0.417 3.684 1.00 0.00 C ATOM 0 H ALA A 15 -3.815 3.202 3.577 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.524 1.520 4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.673 -0.410 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.552 0.177 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.138 0.580 3.072 1.00 0.00 H new ATOM 221 N LEU A 16 -1.034 1.121 1.787 1.00 0.00 N ATOM 222 CA LEU A 16 -0.426 1.150 0.475 1.00 0.00 C ATOM 223 C LEU A 16 -0.467 -0.278 -0.043 1.00 0.00 C ATOM 224 O LEU A 16 0.246 -1.147 0.473 1.00 0.00 O ATOM 225 CB LEU A 16 1.001 1.720 0.575 1.00 0.00 C ATOM 226 CG LEU A 16 0.968 3.256 0.450 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.112 3.947 1.186 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.047 3.666 -1.014 1.00 0.00 C ATOM 0 H LEU A 16 -0.720 0.319 2.334 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.955 1.801 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.449 1.434 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.626 1.297 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 16 0.028 3.569 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.029 5.026 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.062 3.704 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.064 3.606 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.023 4.753 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.975 3.293 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.200 3.246 -1.556 1.00 0.00 H new ATOM 240 N LEU A 17 -1.346 -0.550 -1.009 1.00 0.00 N ATOM 241 CA LEU A 17 -1.231 -1.739 -1.858 1.00 0.00 C ATOM 242 C LEU A 17 -0.015 -1.488 -2.756 1.00 0.00 C ATOM 243 O LEU A 17 0.237 -0.333 -3.119 1.00 0.00 O ATOM 244 CB LEU A 17 -2.523 -1.889 -2.685 1.00 0.00 C ATOM 245 CG LEU A 17 -2.653 -3.145 -3.576 1.00 0.00 C ATOM 246 CD1 LEU A 17 -3.180 -4.348 -2.788 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.642 -2.876 -4.716 1.00 0.00 C ATOM 0 H LEU A 17 -2.150 0.040 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.102 -2.659 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.368 -1.875 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.618 -1.011 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.657 -3.368 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.257 -5.211 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.495 -4.577 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.164 -4.114 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.729 -3.766 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.618 -2.628 -4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.283 -2.043 -5.320 1.00 0.00 H new ATOM 259 N LYS A 18 0.747 -2.515 -3.135 1.00 0.00 N ATOM 260 CA LYS A 18 1.836 -2.334 -4.098 1.00 0.00 C ATOM 261 C LYS A 18 1.893 -3.563 -4.977 1.00 0.00 C ATOM 262 O LYS A 18 2.598 -4.517 -4.638 1.00 0.00 O ATOM 263 CB LYS A 18 3.156 -2.029 -3.368 1.00 0.00 C ATOM 264 CG LYS A 18 4.153 -1.323 -4.296 1.00 0.00 C ATOM 265 CD LYS A 18 4.750 -2.208 -5.407 1.00 0.00 C ATOM 266 CE LYS A 18 5.544 -3.416 -4.892 1.00 0.00 C ATOM 267 NZ LYS A 18 5.305 -4.671 -5.637 1.00 0.00 N ATOM 0 H LYS A 18 0.633 -3.470 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 18 1.658 -1.472 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.957 -1.402 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.593 -2.957 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.654 -0.472 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.969 -0.925 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.942 -2.564 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.403 -1.597 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.607 -3.180 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.295 -3.578 -3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.590 -5.482 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.294 -4.750 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.863 -4.665 -6.515 1.00 0.00 H new ATOM 281 N GLN A 19 1.131 -3.550 -6.072 1.00 0.00 N ATOM 282 CA GLN A 19 0.734 -4.768 -6.743 1.00 0.00 C ATOM 283 C GLN A 19 1.925 -5.560 -7.260 1.00 0.00 C ATOM 284 O GLN A 19 3.044 -5.062 -7.432 1.00 0.00 O ATOM 285 CB GLN A 19 -0.275 -4.467 -7.855 1.00 0.00 C ATOM 286 CG GLN A 19 -1.653 -4.087 -7.297 1.00 0.00 C ATOM 287 CD GLN A 19 -2.722 -4.107 -8.391 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.841 -3.157 -9.160 1.00 0.00 O ATOM 289 NE2 GLN A 19 -3.496 -5.178 -8.502 1.00 0.00 N ATOM 0 H GLN A 19 0.779 -2.698 -6.508 1.00 0.00 H new ATOM 0 HA GLN A 19 0.245 -5.403 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.101 -3.653 -8.475 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.374 -5.340 -8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.930 -4.780 -6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.605 -3.094 -6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.383 -5.958 -7.854 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.204 -5.222 -9.235 1.00 0.00 H new ATOM 298 N GLN A 20 1.680 -6.846 -7.460 1.00 0.00 N ATOM 299 CA GLN A 20 2.638 -7.782 -7.963 1.00 0.00 C ATOM 300 C GLN A 20 2.749 -7.494 -9.446 1.00 0.00 C ATOM 301 O GLN A 20 1.752 -7.220 -10.117 1.00 0.00 O ATOM 302 CB GLN A 20 2.170 -9.203 -7.612 1.00 0.00 C ATOM 303 CG GLN A 20 3.319 -10.077 -7.093 1.00 0.00 C ATOM 304 CD GLN A 20 3.884 -10.980 -8.168 1.00 0.00 C ATOM 305 OE1 GLN A 20 4.513 -10.497 -9.103 1.00 0.00 O ATOM 306 NE2 GLN A 20 3.672 -12.278 -8.075 1.00 0.00 N ATOM 0 H GLN A 20 0.772 -7.268 -7.265 1.00 0.00 H new ATOM 0 HA GLN A 20 3.631 -7.693 -7.523 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.386 -9.150 -6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.731 -9.668 -8.495 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.112 -9.438 -6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.963 -10.685 -6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.145 -12.654 -7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.035 -12.907 -8.792 1.00 0.00 H new ATOM 315 N GLY A 21 3.981 -7.452 -9.920 1.00 0.00 N ATOM 316 CA GLY A 21 4.340 -7.096 -11.273 1.00 0.00 C ATOM 317 C GLY A 21 4.547 -5.593 -11.409 1.00 0.00 C ATOM 318 O GLY A 21 5.620 -5.178 -11.843 1.00 0.00 O ATOM 0 H GLY A 21 4.792 -7.676 -9.343 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.252 -7.619 -11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.557 -7.422 -11.958 1.00 0.00 H new ATOM 322 N CYS A 22 3.556 -4.784 -11.025 1.00 0.00 N ATOM 323 CA CYS A 22 3.464 -3.406 -11.505 1.00 0.00 C ATOM 324 C CYS A 22 4.372 -2.402 -10.791 1.00 0.00 C ATOM 325 O CYS A 22 4.538 -1.314 -11.321 1.00 0.00 O ATOM 326 CB CYS A 22 1.997 -2.943 -11.460 1.00 0.00 C ATOM 327 SG CYS A 22 1.246 -3.006 -13.108 1.00 0.00 S ATOM 0 H CYS A 22 2.810 -5.059 -10.386 1.00 0.00 H new ATOM 0 HA CYS A 22 3.834 -3.424 -12.530 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.433 -3.576 -10.775 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.945 -1.926 -11.071 1.00 0.00 H new ATOM 0 HG CYS A 22 0.009 -2.612 -13.037 1.00 0.00 H new ATOM 333 N ASN A 23 4.983 -2.703 -9.636 1.00 0.00 N ATOM 334 CA ASN A 23 5.955 -1.842 -8.917 1.00 0.00 C ATOM 335 C ASN A 23 5.366 -0.518 -8.399 1.00 0.00 C ATOM 336 O ASN A 23 5.930 0.092 -7.496 1.00 0.00 O ATOM 337 CB ASN A 23 7.182 -1.482 -9.790 1.00 0.00 C ATOM 338 CG ASN A 23 7.740 -2.625 -10.614 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.492 -3.453 -10.103 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.382 -2.704 -11.884 1.00 0.00 N ATOM 0 H ASN A 23 4.813 -3.585 -9.152 1.00 0.00 H new ATOM 0 HA ASN A 23 6.248 -2.456 -8.065 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.905 -0.671 -10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.972 -1.102 -9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.731 -3.466 -12.466 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.757 -2.003 -12.282 1.00 0.00 H new ATOM 347 N GLU A 24 4.249 -0.061 -8.942 1.00 0.00 N ATOM 348 CA GLU A 24 3.522 1.137 -8.590 1.00 0.00 C ATOM 349 C GLU A 24 2.802 0.925 -7.258 1.00 0.00 C ATOM 350 O GLU A 24 2.494 -0.206 -6.872 1.00 0.00 O ATOM 351 CB GLU A 24 2.557 1.378 -9.756 1.00 0.00 C ATOM 352 CG GLU A 24 1.870 2.741 -9.769 1.00 0.00 C ATOM 353 CD GLU A 24 1.205 2.932 -11.134 1.00 0.00 C ATOM 354 OE1 GLU A 24 0.298 2.139 -11.472 1.00 0.00 O ATOM 355 OE2 GLU A 24 1.702 3.772 -11.918 1.00 0.00 O ATOM 0 H GLU A 24 3.794 -0.565 -9.703 1.00 0.00 H new ATOM 0 HA GLU A 24 4.163 2.007 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.106 1.258 -10.690 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.790 0.604 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.127 2.799 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.596 3.534 -9.586 1.00 0.00 H new ATOM 362 N LEU A 25 2.534 2.013 -6.549 1.00 0.00 N ATOM 363 CA LEU A 25 1.890 2.028 -5.248 1.00 0.00 C ATOM 364 C LEU A 25 0.446 2.480 -5.411 1.00 0.00 C ATOM 365 O LEU A 25 0.134 3.223 -6.336 1.00 0.00 O ATOM 366 CB LEU A 25 2.644 3.009 -4.354 1.00 0.00 C ATOM 367 CG LEU A 25 4.000 2.430 -3.917 1.00 0.00 C ATOM 368 CD1 LEU A 25 5.006 3.555 -3.754 1.00 0.00 C ATOM 369 CD2 LEU A 25 3.928 1.623 -2.613 1.00 0.00 C ATOM 0 H LEU A 25 2.771 2.948 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 25 1.902 1.034 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.800 3.946 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.043 3.240 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 25 4.310 1.740 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.966 3.142 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.125 4.077 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.650 4.254 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.919 1.244 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.572 2.265 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.241 0.786 -2.741 1.00 0.00 H new ATOM 381 N LEU A 26 -0.400 2.078 -4.470 1.00 0.00 N ATOM 382 CA LEU A 26 -1.814 2.448 -4.399 1.00 0.00 C ATOM 383 C LEU A 26 -2.097 3.081 -3.026 1.00 0.00 C ATOM 384 O LEU A 26 -2.356 2.344 -2.070 1.00 0.00 O ATOM 385 CB LEU A 26 -2.729 1.251 -4.739 1.00 0.00 C ATOM 386 CG LEU A 26 -3.817 1.510 -5.794 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.767 2.634 -5.374 1.00 0.00 C ATOM 388 CD2 LEU A 26 -3.231 1.783 -7.184 1.00 0.00 C ATOM 0 H LEU A 26 -0.113 1.464 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.045 3.197 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.103 0.429 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.213 0.918 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.397 0.590 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.519 2.783 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.258 2.365 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.202 3.556 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.041 1.959 -7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.588 2.662 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.647 0.922 -7.508 1.00 0.00 H new ATOM 400 N PRO A 27 -1.893 4.400 -2.850 1.00 0.00 N ATOM 401 CA PRO A 27 -2.079 5.106 -1.581 1.00 0.00 C ATOM 402 C PRO A 27 -3.557 5.171 -1.186 1.00 0.00 C ATOM 403 O PRO A 27 -4.351 5.830 -1.859 1.00 0.00 O ATOM 404 CB PRO A 27 -1.490 6.507 -1.803 1.00 0.00 C ATOM 405 CG PRO A 27 -1.631 6.730 -3.307 1.00 0.00 C ATOM 406 CD PRO A 27 -1.465 5.329 -3.886 1.00 0.00 C ATOM 0 HA PRO A 27 -1.583 4.590 -0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.032 7.263 -1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.448 6.557 -1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.601 7.158 -3.561 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.872 7.414 -3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.066 5.208 -4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.428 5.146 -4.167 1.00 0.00 H new ATOM 414 N LEU A 28 -3.929 4.519 -0.085 1.00 0.00 N ATOM 415 CA LEU A 28 -5.307 4.352 0.363 1.00 0.00 C ATOM 416 C LEU A 28 -5.467 5.058 1.704 1.00 0.00 C ATOM 417 O LEU A 28 -4.997 4.552 2.728 1.00 0.00 O ATOM 418 CB LEU A 28 -5.644 2.858 0.478 1.00 0.00 C ATOM 419 CG LEU A 28 -5.584 2.124 -0.878 1.00 0.00 C ATOM 420 CD1 LEU A 28 -5.025 0.718 -0.661 1.00 0.00 C ATOM 421 CD2 LEU A 28 -6.963 2.062 -1.542 1.00 0.00 C ATOM 0 H LEU A 28 -3.254 4.078 0.540 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.997 4.791 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.949 2.386 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.642 2.747 0.902 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.928 2.678 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.980 0.193 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.023 0.786 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.673 0.171 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.885 1.539 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.657 1.529 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.330 3.074 -1.713 1.00 0.00 H new ATOM 433 N ARG A 29 -6.118 6.226 1.717 1.00 0.00 N ATOM 434 CA ARG A 29 -6.287 7.029 2.931 1.00 0.00 C ATOM 435 C ARG A 29 -7.013 6.253 4.025 1.00 0.00 C ATOM 436 O ARG A 29 -6.671 6.343 5.208 1.00 0.00 O ATOM 437 CB ARG A 29 -7.127 8.286 2.650 1.00 0.00 C ATOM 438 CG ARG A 29 -6.512 9.363 1.747 1.00 0.00 C ATOM 439 CD ARG A 29 -7.200 9.461 0.380 1.00 0.00 C ATOM 440 NE ARG A 29 -7.163 10.836 -0.129 1.00 0.00 N ATOM 441 CZ ARG A 29 -7.658 11.271 -1.288 1.00 0.00 C ATOM 442 NH1 ARG A 29 -8.223 10.434 -2.150 1.00 0.00 N ATOM 443 NH2 ARG A 29 -7.591 12.565 -1.556 1.00 0.00 N ATOM 0 H ARG A 29 -6.542 6.640 0.887 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.281 7.294 3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.068 7.968 2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.371 8.748 3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.573 10.329 2.249 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.454 9.146 1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.708 8.794 -0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.235 9.128 0.465 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.712 11.531 0.465 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.284 9.440 -1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.596 10.785 -3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.168 13.204 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.962 12.924 -2.436 1.00 0.00 H new ATOM 457 N THR A 30 -8.081 5.566 3.642 1.00 0.00 N ATOM 458 CA THR A 30 -9.113 5.069 4.535 1.00 0.00 C ATOM 459 C THR A 30 -9.728 3.817 3.930 1.00 0.00 C ATOM 460 O THR A 30 -9.449 3.465 2.779 1.00 0.00 O ATOM 461 CB THR A 30 -10.192 6.151 4.716 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.543 6.743 3.477 1.00 0.00 O ATOM 463 CG2 THR A 30 -9.760 7.237 5.692 1.00 0.00 C ATOM 0 H THR A 30 -8.256 5.332 2.665 1.00 0.00 H new ATOM 0 HA THR A 30 -8.684 4.828 5.507 1.00 0.00 H new ATOM 0 HB THR A 30 -11.064 5.645 5.131 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.231 7.425 3.624 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.554 7.978 5.787 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.561 6.792 6.667 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.856 7.720 5.322 1.00 0.00 H new ATOM 471 N ASN A 31 -10.620 3.158 4.671 1.00 0.00 N ATOM 472 CA ASN A 31 -11.327 2.024 4.112 1.00 0.00 C ATOM 473 C ASN A 31 -12.322 2.458 3.023 1.00 0.00 C ATOM 474 O ASN A 31 -12.519 1.712 2.065 1.00 0.00 O ATOM 475 CB ASN A 31 -11.978 1.192 5.216 1.00 0.00 C ATOM 476 CG ASN A 31 -12.724 0.033 4.577 1.00 0.00 C ATOM 477 OD1 ASN A 31 -13.933 -0.103 4.711 1.00 0.00 O ATOM 478 ND2 ASN A 31 -12.015 -0.819 3.850 1.00 0.00 N ATOM 0 H ASN A 31 -10.861 3.388 5.635 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.602 1.379 3.616 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.220 0.819 5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.664 1.807 5.799 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.476 -1.604 3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.008 -0.689 3.750 1.00 0.00 H new ATOM 485 N ASP A 32 -12.857 3.686 3.075 1.00 0.00 N ATOM 486 CA ASP A 32 -13.631 4.289 1.975 1.00 0.00 C ATOM 487 C ASP A 32 -12.798 4.307 0.694 1.00 0.00 C ATOM 488 O ASP A 32 -13.333 4.246 -0.410 1.00 0.00 O ATOM 489 CB ASP A 32 -14.013 5.760 2.228 1.00 0.00 C ATOM 490 CG ASP A 32 -15.051 6.019 3.314 1.00 0.00 C ATOM 491 OD1 ASP A 32 -16.250 5.739 3.095 1.00 0.00 O ATOM 492 OD2 ASP A 32 -14.648 6.580 4.363 1.00 0.00 O ATOM 0 H ASP A 32 -12.765 4.296 3.888 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.531 3.679 1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.107 6.308 2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.385 6.181 1.294 1.00 0.00 H new ATOM 497 N ASP A 33 -11.478 4.463 0.810 1.00 0.00 N ATOM 498 CA ASP A 33 -10.579 4.489 -0.339 1.00 0.00 C ATOM 499 C ASP A 33 -10.522 3.110 -0.990 1.00 0.00 C ATOM 500 O ASP A 33 -10.670 2.997 -2.199 1.00 0.00 O ATOM 501 CB ASP A 33 -9.193 4.980 0.087 1.00 0.00 C ATOM 502 CG ASP A 33 -8.477 5.744 -1.020 1.00 0.00 C ATOM 503 OD1 ASP A 33 -8.785 5.554 -2.216 1.00 0.00 O ATOM 504 OD2 ASP A 33 -7.635 6.587 -0.654 1.00 0.00 O ATOM 0 H ASP A 33 -11.004 4.575 1.706 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.959 5.189 -1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.292 5.623 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.585 4.126 0.386 1.00 0.00 H new ATOM 509 N TRP A 34 -10.437 2.038 -0.192 1.00 0.00 N ATOM 510 CA TRP A 34 -10.490 0.664 -0.701 1.00 0.00 C ATOM 511 C TRP A 34 -11.810 0.374 -1.449 1.00 0.00 C ATOM 512 O TRP A 34 -11.848 -0.418 -2.395 1.00 0.00 O ATOM 513 CB TRP A 34 -10.278 -0.326 0.455 1.00 0.00 C ATOM 514 CG TRP A 34 -10.196 -1.752 0.001 1.00 0.00 C ATOM 515 CD1 TRP A 34 -11.255 -2.546 -0.283 1.00 0.00 C ATOM 516 CD2 TRP A 34 -9.015 -2.508 -0.400 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.809 -3.682 -0.932 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.439 -3.696 -1.059 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.628 -2.281 -0.329 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.538 -4.568 -1.689 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.711 -3.185 -0.895 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.161 -4.319 -1.592 1.00 0.00 C ATOM 0 H TRP A 34 -10.330 2.099 0.821 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.687 0.540 -1.427 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.361 -0.066 0.984 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -11.097 -0.224 1.167 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.284 -2.327 -0.041 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.422 -4.421 -1.276 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.261 -1.396 0.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.901 -5.421 -2.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.651 -3.006 -0.793 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.452 -4.994 -2.049 1.00 0.00 H new ATOM 533 N GLN A 35 -12.912 1.003 -1.032 1.00 0.00 N ATOM 534 CA GLN A 35 -14.201 0.897 -1.713 1.00 0.00 C ATOM 535 C GLN A 35 -14.085 1.520 -3.095 1.00 0.00 C ATOM 536 O GLN A 35 -14.331 0.850 -4.097 1.00 0.00 O ATOM 537 CB GLN A 35 -15.314 1.559 -0.880 1.00 0.00 C ATOM 538 CG GLN A 35 -15.432 0.981 0.542 1.00 0.00 C ATOM 539 CD GLN A 35 -16.252 -0.297 0.609 1.00 0.00 C ATOM 540 OE1 GLN A 35 -15.841 -1.340 0.102 1.00 0.00 O ATOM 541 NE2 GLN A 35 -17.413 -0.262 1.232 1.00 0.00 N ATOM 0 H GLN A 35 -12.933 1.603 -0.207 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.472 -0.153 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.122 2.630 -0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.267 1.436 -1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.433 0.783 0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.884 1.729 1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.742 0.609 1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.982 -1.106 1.298 1.00 0.00 H new ATOM 550 N ARG A 36 -13.677 2.787 -3.136 1.00 0.00 N ATOM 551 CA ARG A 36 -13.518 3.553 -4.363 1.00 0.00 C ATOM 552 C ARG A 36 -12.550 2.846 -5.305 1.00 0.00 C ATOM 553 O ARG A 36 -12.872 2.686 -6.472 1.00 0.00 O ATOM 554 CB ARG A 36 -13.082 4.981 -4.005 1.00 0.00 C ATOM 555 CG ARG A 36 -14.249 5.713 -3.322 1.00 0.00 C ATOM 556 CD ARG A 36 -13.856 7.053 -2.702 1.00 0.00 C ATOM 557 NE ARG A 36 -12.980 6.909 -1.528 1.00 0.00 N ATOM 558 CZ ARG A 36 -12.292 7.903 -0.949 1.00 0.00 C ATOM 559 NH1 ARG A 36 -12.313 9.134 -1.451 1.00 0.00 N ATOM 560 NH2 ARG A 36 -11.575 7.687 0.149 1.00 0.00 N ATOM 0 H ARG A 36 -13.444 3.318 -2.297 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.465 3.623 -4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.217 4.954 -3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.778 5.517 -4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.040 5.879 -4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.664 5.071 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.351 7.660 -3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.758 7.591 -2.411 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.889 5.978 -1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.859 9.334 -2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.784 9.879 -0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.543 6.755 0.562 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.057 8.453 0.578 1.00 0.00 H new ATOM 696 N LEU A 45 -6.688 -8.421 -8.789 1.00 0.00 N ATOM 697 CA LEU A 45 -5.969 -8.692 -7.554 1.00 0.00 C ATOM 698 C LEU A 45 -5.271 -10.026 -7.749 1.00 0.00 C ATOM 699 O LEU A 45 -5.914 -10.997 -8.155 1.00 0.00 O ATOM 700 CB LEU A 45 -6.901 -8.782 -6.335 1.00 0.00 C ATOM 701 CG LEU A 45 -7.457 -7.435 -5.854 1.00 0.00 C ATOM 702 CD1 LEU A 45 -8.483 -7.665 -4.739 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.355 -6.515 -5.302 1.00 0.00 C ATOM 0 HA LEU A 45 -5.273 -7.877 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.736 -9.438 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.359 -9.250 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.915 -6.954 -6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.874 -6.705 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.301 -8.278 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.004 -8.176 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.797 -5.574 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.866 -7.000 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.620 -6.318 -6.083 1.00 0.00 H new ATOM 715 N GLN A 46 -3.965 -10.087 -7.517 1.00 0.00 N ATOM 716 CA GLN A 46 -3.214 -11.335 -7.524 1.00 0.00 C ATOM 717 C GLN A 46 -2.791 -11.683 -6.098 1.00 0.00 C ATOM 718 O GLN A 46 -2.568 -10.793 -5.271 1.00 0.00 O ATOM 719 CB GLN A 46 -2.014 -11.170 -8.459 1.00 0.00 C ATOM 720 CG GLN A 46 -2.476 -11.024 -9.919 1.00 0.00 C ATOM 721 CD GLN A 46 -1.383 -10.473 -10.822 1.00 0.00 C ATOM 722 OE1 GLN A 46 -0.291 -11.017 -10.962 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.645 -9.341 -11.440 1.00 0.00 N ATOM 0 H GLN A 46 -3.394 -9.266 -7.317 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.825 -12.160 -7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.437 -10.293 -8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.354 -12.032 -8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.798 -11.996 -10.294 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.343 -10.364 -9.958 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.554 -8.893 -11.320 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.939 -8.912 -12.039 1.00 0.00 H new ATOM 732 N TYR A 47 -2.689 -12.986 -5.815 1.00 0.00 N ATOM 733 CA TYR A 47 -2.340 -13.575 -4.521 1.00 0.00 C ATOM 734 C TYR A 47 -0.864 -13.310 -4.205 1.00 0.00 C ATOM 735 O TYR A 47 -0.021 -14.208 -4.253 1.00 0.00 O ATOM 736 CB TYR A 47 -2.609 -15.092 -4.578 1.00 0.00 C ATOM 737 CG TYR A 47 -4.040 -15.532 -4.834 1.00 0.00 C ATOM 738 CD1 TYR A 47 -5.095 -14.885 -4.178 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.314 -16.642 -5.659 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.415 -15.316 -4.353 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.636 -17.091 -5.818 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.702 -16.408 -5.195 1.00 0.00 C ATOM 743 OH TYR A 47 -7.997 -16.782 -5.357 1.00 0.00 O ATOM 0 H TYR A 47 -2.858 -13.698 -6.526 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.946 -13.125 -3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.979 -15.518 -5.359 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.285 -15.529 -3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.888 -14.045 -3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.507 -17.147 -6.169 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.218 -14.808 -3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.837 -17.964 -6.421 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.042 -17.549 -5.966 1.00 0.00 H new ATOM 753 N GLY A 48 -0.542 -12.064 -3.915 1.00 0.00 N ATOM 754 CA GLY A 48 0.814 -11.611 -3.748 1.00 0.00 C ATOM 755 C GLY A 48 0.931 -10.107 -3.886 1.00 0.00 C ATOM 756 O GLY A 48 2.029 -9.557 -3.816 1.00 0.00 O ATOM 0 H GLY A 48 -1.236 -11.327 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.179 -11.915 -2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.451 -12.094 -4.489 1.00 0.00 H new ATOM 760 N ASP A 49 -0.188 -9.411 -4.073 1.00 0.00 N ATOM 761 CA ASP A 49 -0.236 -7.984 -4.381 1.00 0.00 C ATOM 762 C ASP A 49 0.279 -7.069 -3.271 1.00 0.00 C ATOM 763 O ASP A 49 0.550 -5.911 -3.567 1.00 0.00 O ATOM 764 CB ASP A 49 -1.672 -7.580 -4.780 1.00 0.00 C ATOM 765 CG ASP A 49 -1.895 -7.565 -6.296 1.00 0.00 C ATOM 766 OD1 ASP A 49 -0.925 -7.703 -7.072 1.00 0.00 O ATOM 767 OD2 ASP A 49 -3.056 -7.394 -6.719 1.00 0.00 O ATOM 0 H ASP A 49 -1.113 -9.837 -4.013 1.00 0.00 H new ATOM 0 HA ASP A 49 0.452 -7.841 -5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.378 -8.273 -4.322 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.889 -6.591 -4.377 1.00 0.00 H new ATOM 772 N LYS A 50 0.522 -7.615 -2.069 1.00 0.00 N ATOM 773 CA LYS A 50 1.113 -6.999 -0.868 1.00 0.00 C ATOM 774 C LYS A 50 0.287 -5.807 -0.368 1.00 0.00 C ATOM 775 O LYS A 50 -0.220 -4.991 -1.134 1.00 0.00 O ATOM 776 CB LYS A 50 2.569 -6.556 -1.141 1.00 0.00 C ATOM 777 CG LYS A 50 3.320 -6.131 0.131 1.00 0.00 C ATOM 778 CD LYS A 50 4.802 -5.789 -0.098 1.00 0.00 C ATOM 779 CE LYS A 50 5.668 -7.045 -0.260 1.00 0.00 C ATOM 780 NZ LYS A 50 7.113 -6.751 -0.162 1.00 0.00 N ATOM 0 H LYS A 50 0.288 -8.592 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 50 1.111 -7.758 -0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.108 -7.375 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.563 -5.725 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.821 -5.263 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.253 -6.934 0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.896 -5.167 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.171 -5.201 0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.395 -7.772 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.459 -7.505 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.651 -7.640 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.399 -6.146 -0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.307 -6.260 0.734 1.00 0.00 H new ATOM 794 N LEU A 51 0.169 -5.691 0.948 1.00 0.00 N ATOM 795 CA LEU A 51 -0.342 -4.490 1.582 1.00 0.00 C ATOM 796 C LEU A 51 0.641 -4.129 2.678 1.00 0.00 C ATOM 797 O LEU A 51 1.322 -5.000 3.222 1.00 0.00 O ATOM 798 CB LEU A 51 -1.769 -4.715 2.134 1.00 0.00 C ATOM 799 CG LEU A 51 -2.881 -4.290 1.160 1.00 0.00 C ATOM 800 CD1 LEU A 51 -4.202 -4.957 1.534 1.00 0.00 C ATOM 801 CD2 LEU A 51 -3.095 -2.775 1.182 1.00 0.00 C ATOM 0 H LEU A 51 0.426 -6.429 1.604 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.429 -3.672 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.894 -5.770 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.881 -4.159 3.065 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.566 -4.599 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.978 -4.645 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.088 -6.040 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.485 -4.663 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.887 -2.509 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.378 -2.462 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.172 -2.273 0.892 1.00 0.00 H new ATOM 813 N VAL A 52 0.665 -2.850 3.018 1.00 0.00 N ATOM 814 CA VAL A 52 1.399 -2.254 4.116 1.00 0.00 C ATOM 815 C VAL A 52 0.377 -1.285 4.717 1.00 0.00 C ATOM 816 O VAL A 52 -0.178 -0.455 3.998 1.00 0.00 O ATOM 817 CB VAL A 52 2.698 -1.609 3.562 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.476 -0.736 4.559 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.685 -2.686 3.081 1.00 0.00 C ATOM 0 H VAL A 52 0.133 -2.154 2.495 1.00 0.00 H new ATOM 0 HA VAL A 52 1.759 -2.934 4.887 1.00 0.00 H new ATOM 0 HB VAL A 52 2.336 -0.972 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.365 -0.333 4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.843 0.085 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.773 -1.340 5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.587 -2.208 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.946 -3.338 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.223 -3.276 2.290 1.00 0.00 H new ATOM 829 N ASP A 53 0.054 -1.427 5.999 1.00 0.00 N ATOM 830 CA ASP A 53 -0.691 -0.487 6.856 1.00 0.00 C ATOM 831 C ASP A 53 0.209 0.638 7.423 1.00 0.00 C ATOM 832 O ASP A 53 1.315 0.836 6.914 1.00 0.00 O ATOM 833 CB ASP A 53 -1.401 -1.279 7.964 1.00 0.00 C ATOM 834 CG ASP A 53 -0.570 -1.731 9.169 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.680 -1.694 9.110 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.203 -2.142 10.167 1.00 0.00 O ATOM 0 H ASP A 53 0.324 -2.265 6.514 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.439 0.024 6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.224 -0.669 8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.842 -2.167 7.510 1.00 0.00 H new ATOM 841 N SER A 54 -0.222 1.401 8.436 1.00 0.00 N ATOM 842 CA SER A 54 0.579 2.438 9.099 1.00 0.00 C ATOM 843 C SER A 54 1.685 1.887 10.010 1.00 0.00 C ATOM 844 O SER A 54 2.701 2.541 10.259 1.00 0.00 O ATOM 845 CB SER A 54 -0.347 3.304 9.956 1.00 0.00 C ATOM 846 OG SER A 54 -0.852 2.592 11.063 1.00 0.00 O ATOM 0 H SER A 54 -1.160 1.312 8.827 1.00 0.00 H new ATOM 0 HA SER A 54 1.066 3.003 8.304 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.196 4.182 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.176 3.664 9.346 1.00 0.00 H new ATOM 0 HG SER A 54 -1.305 3.212 11.672 1.00 0.00 H new ATOM 852 N ASN A 55 1.439 0.708 10.577 1.00 0.00 N ATOM 853 CA ASN A 55 2.215 0.086 11.645 1.00 0.00 C ATOM 854 C ASN A 55 3.435 -0.653 11.087 1.00 0.00 C ATOM 855 O ASN A 55 4.175 -1.260 11.861 1.00 0.00 O ATOM 856 CB ASN A 55 1.320 -0.876 12.450 1.00 0.00 C ATOM 857 CG ASN A 55 0.517 -0.221 13.566 1.00 0.00 C ATOM 858 OD1 ASN A 55 0.387 -0.783 14.648 1.00 0.00 O ATOM 859 ND2 ASN A 55 -0.111 0.920 13.341 1.00 0.00 N ATOM 0 H ASN A 55 0.650 0.130 10.287 1.00 0.00 H new ATOM 0 HA ASN A 55 2.580 0.871 12.307 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.629 -1.366 11.764 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.947 -1.656 12.882 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.701 1.329 14.066 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.006 1.391 12.443 1.00 0.00 H new ATOM 866 N PHE A 56 3.659 -0.623 9.770 1.00 0.00 N ATOM 867 CA PHE A 56 4.691 -1.372 9.039 1.00 0.00 C ATOM 868 C PHE A 56 4.436 -2.894 9.107 1.00 0.00 C ATOM 869 O PHE A 56 5.373 -3.676 8.952 1.00 0.00 O ATOM 870 CB PHE A 56 6.126 -0.943 9.389 1.00 0.00 C ATOM 871 CG PHE A 56 6.549 0.433 8.920 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.982 1.589 9.487 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.566 0.559 7.953 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.397 2.861 9.062 1.00 0.00 C ATOM 875 CE2 PHE A 56 7.983 1.834 7.538 1.00 0.00 C ATOM 876 CZ PHE A 56 7.396 2.987 8.083 1.00 0.00 C ATOM 0 H PHE A 56 3.095 -0.044 9.149 1.00 0.00 H new ATOM 0 HA PHE A 56 4.601 -1.103 7.987 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.241 -0.985 10.472 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.814 -1.675 8.966 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.225 1.498 10.252 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.024 -0.324 7.532 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.947 3.745 9.489 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.761 1.928 6.794 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.711 3.965 7.751 1.00 0.00 H new ATOM 886 N HIS A 57 3.205 -3.354 9.353 1.00 0.00 N ATOM 887 CA HIS A 57 2.795 -4.721 9.047 1.00 0.00 C ATOM 888 C HIS A 57 2.783 -4.935 7.534 1.00 0.00 C ATOM 889 O HIS A 57 1.945 -4.361 6.837 1.00 0.00 O ATOM 890 CB HIS A 57 1.405 -4.993 9.606 1.00 0.00 C ATOM 891 CG HIS A 57 1.282 -4.774 11.081 1.00 0.00 C ATOM 892 ND1 HIS A 57 0.298 -4.027 11.682 1.00 0.00 N ATOM 893 CD2 HIS A 57 2.102 -5.279 12.052 1.00 0.00 C ATOM 894 CE1 HIS A 57 0.506 -4.097 13.004 1.00 0.00 C ATOM 895 NE2 HIS A 57 1.568 -4.872 13.277 1.00 0.00 N ATOM 0 H HIS A 57 2.467 -2.786 9.770 1.00 0.00 H new ATOM 0 HA HIS A 57 3.506 -5.408 9.506 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.688 -4.351 9.094 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.130 -6.023 9.379 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -0.449 -3.516 11.211 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.989 -5.876 11.901 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.098 -3.598 13.748 1.00 0.00 H new ATOM 903 N CYS A 58 3.681 -5.767 7.006 1.00 0.00 N ATOM 904 CA CYS A 58 3.475 -6.306 5.669 1.00 0.00 C ATOM 905 C CYS A 58 2.299 -7.289 5.693 1.00 0.00 C ATOM 906 O CYS A 58 1.990 -7.890 6.726 1.00 0.00 O ATOM 907 CB CYS A 58 4.743 -7.018 5.192 1.00 0.00 C ATOM 908 SG CYS A 58 5.924 -5.842 4.501 1.00 0.00 S ATOM 0 H CYS A 58 4.535 -6.074 7.472 1.00 0.00 H new ATOM 0 HA CYS A 58 3.251 -5.491 4.981 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.200 -7.551 6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.485 -7.764 4.440 1.00 0.00 H new ATOM 0 HG CYS A 58 6.989 -6.476 4.108 1.00 0.00 H new ATOM 914 N PHE A 59 1.699 -7.523 4.526 1.00 0.00 N ATOM 915 CA PHE A 59 0.673 -8.532 4.288 1.00 0.00 C ATOM 916 C PHE A 59 0.890 -9.164 2.913 1.00 0.00 C ATOM 917 O PHE A 59 1.605 -8.605 2.073 1.00 0.00 O ATOM 918 CB PHE A 59 -0.725 -7.892 4.359 1.00 0.00 C ATOM 919 CG PHE A 59 -1.054 -7.245 5.693 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.523 -8.028 6.764 1.00 0.00 C ATOM 921 CD2 PHE A 59 -0.831 -5.867 5.887 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.665 -7.460 8.043 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.019 -5.292 7.152 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.397 -6.094 8.241 1.00 0.00 C ATOM 0 H PHE A 59 1.926 -6.990 3.686 1.00 0.00 H new ATOM 0 HA PHE A 59 0.743 -9.303 5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.807 -7.140 3.575 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.472 -8.657 4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.774 -9.066 6.604 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.514 -5.251 5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.980 -8.074 8.874 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.873 -4.231 7.289 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.482 -5.663 9.228 1.00 0.00 H new ATOM 934 N VAL A 60 0.229 -10.289 2.648 1.00 0.00 N ATOM 935 CA VAL A 60 0.229 -11.037 1.394 1.00 0.00 C ATOM 936 C VAL A 60 -1.175 -11.613 1.211 1.00 0.00 C ATOM 937 O VAL A 60 -1.730 -12.165 2.154 1.00 0.00 O ATOM 938 CB VAL A 60 1.280 -12.162 1.466 1.00 0.00 C ATOM 939 CG1 VAL A 60 1.108 -13.211 0.359 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.684 -11.576 1.363 1.00 0.00 C ATOM 0 H VAL A 60 -0.361 -10.732 3.353 1.00 0.00 H new ATOM 0 HA VAL A 60 0.483 -10.398 0.549 1.00 0.00 H new ATOM 0 HB VAL A 60 1.134 -12.657 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.876 -13.977 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.123 -13.671 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.202 -12.731 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.418 -12.380 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.790 -11.049 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.849 -10.880 2.185 1.00 0.00 H new ATOM 950 N LEU A 61 -1.740 -11.496 0.006 1.00 0.00 N ATOM 951 CA LEU A 61 -2.944 -12.222 -0.405 1.00 0.00 C ATOM 952 C LEU A 61 -2.498 -13.644 -0.760 1.00 0.00 C ATOM 953 O LEU A 61 -1.503 -13.771 -1.471 1.00 0.00 O ATOM 954 CB LEU A 61 -3.540 -11.498 -1.629 1.00 0.00 C ATOM 955 CG LEU A 61 -4.983 -11.843 -2.081 1.00 0.00 C ATOM 956 CD1 LEU A 61 -5.280 -11.491 -3.543 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.774 -12.970 -1.432 1.00 0.00 C ATOM 0 H LEU A 61 -1.368 -10.885 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.705 -12.261 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.506 -10.428 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.878 -11.683 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.532 -11.114 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.308 -11.763 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.143 -10.420 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.600 -12.039 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.757 -13.040 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.242 -13.912 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.891 -12.767 -0.368 1.00 0.00 H new ATOM 969 N GLU A 62 -3.209 -14.686 -0.332 1.00 0.00 N ATOM 970 CA GLU A 62 -2.936 -16.073 -0.721 1.00 0.00 C ATOM 971 C GLU A 62 -4.130 -16.712 -1.434 1.00 0.00 C ATOM 972 O GLU A 62 -5.231 -16.178 -1.382 1.00 0.00 O ATOM 973 CB GLU A 62 -2.583 -16.886 0.526 1.00 0.00 C ATOM 974 CG GLU A 62 -1.208 -16.513 1.108 1.00 0.00 C ATOM 975 CD GLU A 62 -0.461 -17.723 1.680 1.00 0.00 C ATOM 976 OE1 GLU A 62 -0.559 -18.832 1.104 1.00 0.00 O ATOM 977 OE2 GLU A 62 0.288 -17.570 2.676 1.00 0.00 O ATOM 0 H GLU A 62 -4.002 -14.592 0.303 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.099 -16.070 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.349 -16.730 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.592 -17.947 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.601 -16.051 0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.340 -15.768 1.893 1.00 0.00 H new ATOM 984 N GLU A 63 -3.969 -17.907 -2.017 1.00 0.00 N ATOM 985 CA GLU A 63 -5.057 -18.668 -2.644 1.00 0.00 C ATOM 986 C GLU A 63 -6.234 -18.907 -1.701 1.00 0.00 C ATOM 987 O GLU A 63 -7.333 -19.208 -2.155 1.00 0.00 O ATOM 988 CB GLU A 63 -4.579 -20.033 -3.168 1.00 0.00 C ATOM 989 CG GLU A 63 -3.373 -19.938 -4.106 1.00 0.00 C ATOM 990 CD GLU A 63 -3.292 -21.118 -5.074 1.00 0.00 C ATOM 991 OE1 GLU A 63 -3.279 -22.288 -4.639 1.00 0.00 O ATOM 992 OE2 GLU A 63 -3.179 -20.857 -6.299 1.00 0.00 O ATOM 0 H GLU A 63 -3.066 -18.379 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.389 -18.047 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.321 -20.669 -2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.401 -20.520 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.430 -19.009 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.459 -19.894 -3.514 1.00 0.00 H new ATOM 999 N ASP A 64 -6.035 -18.747 -0.396 1.00 0.00 N ATOM 1000 CA ASP A 64 -7.079 -18.809 0.609 1.00 0.00 C ATOM 1001 C ASP A 64 -8.010 -17.592 0.602 1.00 0.00 C ATOM 1002 O ASP A 64 -8.977 -17.581 1.367 1.00 0.00 O ATOM 1003 CB ASP A 64 -6.424 -18.969 1.980 1.00 0.00 C ATOM 1004 CG ASP A 64 -7.307 -19.794 2.909 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -7.611 -20.942 2.521 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -7.513 -19.392 4.077 1.00 0.00 O ATOM 0 H ASP A 64 -5.112 -18.565 -0.002 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.712 -19.665 0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.453 -19.452 1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.244 -17.988 2.419 1.00 0.00 H new ATOM 1011 N ALA A 65 -7.739 -16.559 -0.215 1.00 0.00 N ATOM 1012 CA ALA A 65 -8.472 -15.311 -0.306 1.00 0.00 C ATOM 1013 C ALA A 65 -8.308 -14.440 0.944 1.00 0.00 C ATOM 1014 O ALA A 65 -8.953 -13.387 1.019 1.00 0.00 O ATOM 1015 CB ALA A 65 -9.937 -15.535 -0.724 1.00 0.00 C ATOM 0 H ALA A 65 -6.952 -16.588 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.022 -14.730 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.450 -14.575 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.967 -16.020 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.432 -16.169 0.012 1.00 0.00 H new ATOM 1021 N HIS A 66 -7.444 -14.811 1.893 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.100 -13.960 3.017 1.00 0.00 C ATOM 1023 C HIS A 66 -5.833 -13.164 2.751 1.00 0.00 C ATOM 1024 O HIS A 66 -5.033 -13.517 1.885 1.00 0.00 O ATOM 1025 CB HIS A 66 -7.089 -14.763 4.324 1.00 0.00 C ATOM 1026 CG HIS A 66 -6.014 -15.808 4.524 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -6.171 -16.955 5.265 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -4.683 -15.713 4.214 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -4.966 -17.514 5.439 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -4.026 -16.797 4.804 1.00 0.00 N ATOM 0 H HIS A 66 -6.967 -15.713 1.896 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.877 -13.206 3.143 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.017 -14.053 5.148 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.055 -15.260 4.415 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.223 -14.938 3.619 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.778 -18.412 6.008 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.028 -17.003 4.760 1.00 0.00 H new ATOM 1038 N TRP A 67 -5.643 -12.113 3.544 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.492 -11.226 3.491 1.00 0.00 C ATOM 1040 C TRP A 67 -3.613 -11.498 4.705 1.00 0.00 C ATOM 1041 O TRP A 67 -3.680 -10.777 5.698 1.00 0.00 O ATOM 1042 CB TRP A 67 -4.953 -9.771 3.423 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.292 -9.307 2.045 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.499 -9.324 1.439 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.363 -8.793 1.061 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.375 -8.828 0.153 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.075 -8.462 -0.125 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -2.974 -8.582 1.072 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.435 -7.905 -1.244 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.324 -8.039 -0.043 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.047 -7.681 -1.196 1.00 0.00 C ATOM 0 H TRP A 67 -6.313 -11.849 4.266 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.904 -11.413 2.592 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.827 -9.647 4.063 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.168 -9.132 3.828 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.418 -9.671 1.888 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.148 -8.744 -0.507 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.401 -8.841 1.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.000 -7.652 -2.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.254 -7.893 -0.018 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.539 -7.237 -2.039 1.00 0.00 H new ATOM 1062 N HIS A 68 -2.828 -12.569 4.647 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.071 -13.043 5.787 1.00 0.00 C ATOM 1064 C HIS A 68 -1.080 -11.956 6.258 1.00 0.00 C ATOM 1065 O HIS A 68 -0.499 -11.265 5.414 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.337 -14.324 5.364 1.00 0.00 C ATOM 1067 CG HIS A 68 -0.744 -15.062 6.533 1.00 0.00 C ATOM 1068 ND1 HIS A 68 0.456 -14.777 7.144 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -1.338 -16.080 7.225 1.00 0.00 C ATOM 1070 CE1 HIS A 68 0.586 -15.595 8.196 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -0.491 -16.395 8.294 1.00 0.00 N ATOM 0 H HIS A 68 -2.703 -13.130 3.804 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.732 -13.261 6.626 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.031 -14.980 4.839 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.545 -14.069 4.660 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.281 -16.552 6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.432 -15.610 8.868 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.659 -17.099 9.013 1.00 0.00 H new ATOM 1079 N PRO A 69 -0.832 -11.817 7.577 1.00 0.00 N ATOM 1080 CA PRO A 69 0.178 -10.919 8.130 1.00 0.00 C ATOM 1081 C PRO A 69 1.590 -11.431 7.837 1.00 0.00 C ATOM 1082 O PRO A 69 2.020 -12.441 8.399 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.116 -10.837 9.632 1.00 0.00 C ATOM 1084 CG PRO A 69 -0.831 -12.151 9.938 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.598 -12.436 8.651 1.00 0.00 C ATOM 0 HA PRO A 69 0.135 -9.929 7.677 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.800 -10.736 10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.741 -9.977 9.870 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.126 -12.949 10.172 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.500 -12.056 10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.700 -13.509 8.488 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.606 -12.023 8.699 1.00 0.00 H new ATOM 1093 N ALA A 70 2.333 -10.697 7.012 1.00 0.00 N ATOM 1094 CA ALA A 70 3.693 -11.006 6.583 1.00 0.00 C ATOM 1095 C ALA A 70 4.732 -10.308 7.478 1.00 0.00 C ATOM 1096 O ALA A 70 5.758 -9.828 6.988 1.00 0.00 O ATOM 1097 CB ALA A 70 3.831 -10.648 5.098 1.00 0.00 C ATOM 0 H ALA A 70 1.985 -9.829 6.605 1.00 0.00 H new ATOM 0 HA ALA A 70 3.891 -12.072 6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.843 -10.873 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.117 -11.230 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.631 -9.585 4.960 1.00 0.00 H new ATOM 1103 N ALA A 71 4.468 -10.288 8.792 1.00 0.00 N ATOM 1104 CA ALA A 71 5.313 -9.773 9.870 1.00 0.00 C ATOM 1105 C ALA A 71 5.465 -8.238 9.852 1.00 0.00 C ATOM 1106 O ALA A 71 5.102 -7.573 8.876 1.00 0.00 O ATOM 1107 CB ALA A 71 6.661 -10.520 9.853 1.00 0.00 C ATOM 0 H ALA A 71 3.590 -10.661 9.153 1.00 0.00 H new ATOM 0 HA ALA A 71 4.818 -9.971 10.820 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.297 -10.142 10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.488 -11.586 10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.153 -10.361 8.893 1.00 0.00 H new ATOM 1113 N PRO A 72 5.959 -7.635 10.952 1.00 0.00 N ATOM 1114 CA PRO A 72 6.394 -6.242 10.960 1.00 0.00 C ATOM 1115 C PRO A 72 7.655 -6.028 10.112 1.00 0.00 C ATOM 1116 O PRO A 72 8.273 -6.992 9.646 1.00 0.00 O ATOM 1117 CB PRO A 72 6.617 -5.890 12.433 1.00 0.00 C ATOM 1118 CG PRO A 72 6.933 -7.218 13.093 1.00 0.00 C ATOM 1119 CD PRO A 72 6.086 -8.201 12.291 1.00 0.00 C ATOM 0 HA PRO A 72 5.647 -5.589 10.509 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.437 -5.181 12.553 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.731 -5.430 12.870 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.995 -7.457 13.034 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.664 -7.219 14.149 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.559 -9.182 12.255 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.107 -8.336 12.751 1.00 0.00 H new ATOM 1127 N LEU A 73 8.027 -4.761 9.908 1.00 0.00 N ATOM 1128 CA LEU A 73 9.064 -4.356 8.973 1.00 0.00 C ATOM 1129 C LEU A 73 9.821 -3.121 9.477 1.00 0.00 C ATOM 1130 O LEU A 73 9.187 -2.244 10.070 1.00 0.00 O ATOM 1131 CB LEU A 73 8.375 -3.997 7.645 1.00 0.00 C ATOM 1132 CG LEU A 73 9.292 -4.159 6.430 1.00 0.00 C ATOM 1133 CD1 LEU A 73 9.468 -5.637 6.083 1.00 0.00 C ATOM 1134 CD2 LEU A 73 8.718 -3.431 5.225 1.00 0.00 C ATOM 0 H LEU A 73 7.602 -3.976 10.402 1.00 0.00 H new ATOM 0 HA LEU A 73 9.779 -5.170 8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.496 -4.629 7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.023 -2.967 7.692 1.00 0.00 H new ATOM 0 HG LEU A 73 10.261 -3.729 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.123 -5.732 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.910 -6.160 6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.497 -6.075 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.384 -3.558 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.738 -3.842 4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.620 -2.370 5.454 1.00 0.00 H new ATOM 1146 N PRO A 74 11.132 -2.988 9.205 1.00 0.00 N ATOM 1147 CA PRO A 74 11.888 -1.768 9.489 1.00 0.00 C ATOM 1148 C PRO A 74 11.419 -0.553 8.667 1.00 0.00 C ATOM 1149 O PRO A 74 10.824 -0.723 7.598 1.00 0.00 O ATOM 1150 CB PRO A 74 13.348 -2.105 9.148 1.00 0.00 C ATOM 1151 CG PRO A 74 13.250 -3.283 8.187 1.00 0.00 C ATOM 1152 CD PRO A 74 12.024 -4.023 8.701 1.00 0.00 C ATOM 0 HA PRO A 74 11.747 -1.478 10.530 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.854 -1.257 8.687 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.915 -2.367 10.042 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.124 -2.956 7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 74 14.143 -3.907 8.217 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.550 -4.598 7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 74 12.292 -4.728 9.488 1.00 0.00 H new ATOM 1160 N PRO A 75 11.816 0.674 9.067 1.00 0.00 N ATOM 1161 CA PRO A 75 11.540 1.900 8.323 1.00 0.00 C ATOM 1162 C PRO A 75 12.159 1.897 6.925 1.00 0.00 C ATOM 1163 O PRO A 75 11.636 2.544 6.017 1.00 0.00 O ATOM 1164 CB PRO A 75 12.117 3.045 9.165 1.00 0.00 C ATOM 1165 CG PRO A 75 13.172 2.363 10.032 1.00 0.00 C ATOM 1166 CD PRO A 75 12.555 0.992 10.282 1.00 0.00 C ATOM 0 HA PRO A 75 10.467 2.005 8.164 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.555 3.821 8.538 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.348 3.522 9.772 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.132 2.289 9.521 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.347 2.905 10.961 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.324 0.245 10.481 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.896 1.010 11.150 1.00 0.00 H new ATOM 1174 N GLU A 76 13.273 1.188 6.732 1.00 0.00 N ATOM 1175 CA GLU A 76 13.936 1.138 5.443 1.00 0.00 C ATOM 1176 C GLU A 76 13.278 0.107 4.531 1.00 0.00 C ATOM 1177 O GLU A 76 13.482 0.166 3.319 1.00 0.00 O ATOM 1178 CB GLU A 76 15.428 0.860 5.617 1.00 0.00 C ATOM 1179 CG GLU A 76 15.766 -0.490 6.255 1.00 0.00 C ATOM 1180 CD GLU A 76 17.147 -0.950 5.799 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.295 -1.292 4.608 1.00 0.00 O ATOM 1182 OE2 GLU A 76 18.105 -0.907 6.609 1.00 0.00 O ATOM 0 H GLU A 76 13.731 0.641 7.461 1.00 0.00 H new ATOM 0 HA GLU A 76 13.832 2.112 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.908 0.913 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.861 1.652 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.742 -0.404 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.016 -1.231 5.977 1.00 0.00 H new ATOM 1189 N GLY A 77 12.479 -0.817 5.079 1.00 0.00 N ATOM 1190 CA GLY A 77 11.770 -1.789 4.265 1.00 0.00 C ATOM 1191 C GLY A 77 10.705 -1.105 3.398 1.00 0.00 C ATOM 1192 O GLY A 77 10.431 -1.524 2.272 1.00 0.00 O ATOM 0 H GLY A 77 12.313 -0.905 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.477 -2.320 3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.299 -2.533 4.908 1.00 0.00 H new ATOM 1196 N LEU A 78 10.107 -0.015 3.892 1.00 0.00 N ATOM 1197 CA LEU A 78 9.235 0.874 3.115 1.00 0.00 C ATOM 1198 C LEU A 78 9.997 1.441 1.919 1.00 0.00 C ATOM 1199 O LEU A 78 9.499 1.364 0.799 1.00 0.00 O ATOM 1200 CB LEU A 78 8.738 2.011 4.022 1.00 0.00 C ATOM 1201 CG LEU A 78 8.050 3.183 3.294 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.680 2.789 2.749 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.871 4.343 4.269 1.00 0.00 C ATOM 0 H LEU A 78 10.218 0.280 4.862 1.00 0.00 H new ATOM 0 HA LEU A 78 8.379 0.312 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.039 1.595 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.586 2.402 4.584 1.00 0.00 H new ATOM 0 HG LEU A 78 8.683 3.470 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.230 3.644 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.792 1.967 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.038 2.475 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.385 5.175 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.254 4.021 5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.846 4.663 4.637 1.00 0.00 H new ATOM 1215 N ASN A 79 11.175 2.039 2.150 1.00 0.00 N ATOM 1216 CA ASN A 79 11.952 2.733 1.124 1.00 0.00 C ATOM 1217 C ASN A 79 12.198 1.878 -0.122 1.00 0.00 C ATOM 1218 O ASN A 79 12.360 2.432 -1.205 1.00 0.00 O ATOM 1219 CB ASN A 79 13.292 3.235 1.699 1.00 0.00 C ATOM 1220 CG ASN A 79 13.423 4.744 1.561 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.745 5.486 2.424 1.00 0.00 O flip ATOM 1222 ND2 ASN A 79 14.116 5.250 0.686 1.00 0.00 N flip ATOM 0 H ASN A 79 11.617 2.052 3.069 1.00 0.00 H new ATOM 0 HA ASN A 79 11.351 3.586 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.366 2.956 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.118 2.747 1.181 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.628 4.656 0.034 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.181 6.265 0.610 1.00 0.00 H new ATOM 1229 N ASP A 80 12.228 0.549 -0.004 1.00 0.00 N ATOM 1230 CA ASP A 80 12.418 -0.370 -1.130 1.00 0.00 C ATOM 1231 C ASP A 80 11.188 -0.439 -2.031 1.00 0.00 C ATOM 1232 O ASP A 80 11.278 -0.444 -3.257 1.00 0.00 O ATOM 1233 CB ASP A 80 12.702 -1.772 -0.591 1.00 0.00 C ATOM 1234 CG ASP A 80 13.681 -2.476 -1.519 1.00 0.00 C ATOM 1235 OD1 ASP A 80 13.251 -2.961 -2.590 1.00 0.00 O ATOM 1236 OD2 ASP A 80 14.892 -2.467 -1.197 1.00 0.00 O ATOM 0 H ASP A 80 12.119 0.072 0.891 1.00 0.00 H new ATOM 0 HA ASP A 80 13.254 0.004 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.116 -1.711 0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.776 -2.342 -0.520 1.00 0.00 H new ATOM 1241 N LEU A 81 10.010 -0.484 -1.417 1.00 0.00 N ATOM 1242 CA LEU A 81 8.726 -0.417 -2.111 1.00 0.00 C ATOM 1243 C LEU A 81 8.582 0.907 -2.850 1.00 0.00 C ATOM 1244 O LEU A 81 8.179 0.934 -4.012 1.00 0.00 O ATOM 1245 CB LEU A 81 7.587 -0.585 -1.097 1.00 0.00 C ATOM 1246 CG LEU A 81 6.811 -1.888 -1.288 1.00 0.00 C ATOM 1247 CD1 LEU A 81 7.683 -3.138 -1.129 1.00 0.00 C ATOM 1248 CD2 LEU A 81 5.685 -1.882 -0.260 1.00 0.00 C ATOM 0 H LEU A 81 9.918 -0.570 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 81 8.679 -1.222 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.998 -0.557 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.901 0.257 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 81 6.429 -1.934 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.072 -4.029 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.483 -3.120 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.115 -3.156 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.099 -2.796 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.108 -1.826 0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.041 -1.019 -0.430 1.00 0.00 H new ATOM 1260 N ILE A 82 8.939 2.006 -2.182 1.00 0.00 N ATOM 1261 CA ILE A 82 8.956 3.344 -2.771 1.00 0.00 C ATOM 1262 C ILE A 82 9.844 3.327 -4.018 1.00 0.00 C ATOM 1263 O ILE A 82 9.395 3.729 -5.093 1.00 0.00 O ATOM 1264 CB ILE A 82 9.346 4.408 -1.723 1.00 0.00 C ATOM 1265 CG1 ILE A 82 8.405 4.382 -0.503 1.00 0.00 C ATOM 1266 CG2 ILE A 82 9.397 5.826 -2.319 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.920 4.659 -0.776 1.00 0.00 C ATOM 0 H ILE A 82 9.228 1.990 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 82 7.956 3.632 -3.096 1.00 0.00 H new ATOM 0 HB ILE A 82 10.351 4.148 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.488 3.404 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.762 5.117 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.676 6.538 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.134 5.857 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.417 6.089 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.363 4.613 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.810 5.650 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.531 3.911 -1.467 1.00 0.00 H new ATOM 1279 N ARG A 83 11.067 2.797 -3.902 1.00 0.00 N ATOM 1280 CA ARG A 83 12.007 2.599 -4.992 1.00 0.00 C ATOM 1281 C ARG A 83 11.348 2.002 -6.226 1.00 0.00 C ATOM 1282 O ARG A 83 11.569 2.510 -7.318 1.00 0.00 O ATOM 1283 CB ARG A 83 13.129 1.691 -4.474 1.00 0.00 C ATOM 1284 CG ARG A 83 14.481 2.010 -5.068 1.00 0.00 C ATOM 1285 CD ARG A 83 14.775 1.235 -6.359 1.00 0.00 C ATOM 1286 NE ARG A 83 16.190 0.853 -6.352 1.00 0.00 N ATOM 1287 CZ ARG A 83 16.676 -0.165 -5.632 1.00 0.00 C ATOM 1288 NH1 ARG A 83 15.910 -1.204 -5.305 1.00 0.00 N ATOM 1289 NH2 ARG A 83 17.928 -0.108 -5.206 1.00 0.00 N ATOM 0 H ARG A 83 11.437 2.484 -3.004 1.00 0.00 H new ATOM 0 HA ARG A 83 12.404 3.564 -5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 83 13.187 1.780 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.878 0.654 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.537 3.079 -5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.255 1.786 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 83 14.143 0.350 -6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.552 1.850 -7.231 1.00 0.00 H new ATOM 0 HE ARG A 83 16.839 1.392 -6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 83 14.935 -1.233 -5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 83 16.298 -1.971 -4.756 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.506 0.703 -5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.315 -0.875 -4.656 1.00 0.00 H new ATOM 1303 N ALA A 84 10.529 0.961 -6.050 1.00 0.00 N ATOM 1304 CA ALA A 84 9.888 0.267 -7.157 1.00 0.00 C ATOM 1305 C ALA A 84 9.027 1.229 -7.986 1.00 0.00 C ATOM 1306 O ALA A 84 9.222 1.315 -9.200 1.00 0.00 O ATOM 1307 CB ALA A 84 9.124 -0.962 -6.644 1.00 0.00 C ATOM 0 H ALA A 84 10.295 0.580 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 84 10.650 -0.107 -7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.649 -1.472 -7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.818 -1.643 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.361 -0.645 -5.933 1.00 0.00 H new ATOM 1313 N HIS A 85 8.139 1.987 -7.334 1.00 0.00 N ATOM 1314 CA HIS A 85 7.273 2.985 -7.971 1.00 0.00 C ATOM 1315 C HIS A 85 8.111 4.073 -8.637 1.00 0.00 C ATOM 1316 O HIS A 85 7.862 4.455 -9.775 1.00 0.00 O ATOM 1317 CB HIS A 85 6.339 3.591 -6.913 1.00 0.00 C ATOM 1318 CG HIS A 85 5.700 4.922 -7.263 1.00 0.00 C ATOM 1319 ND1 HIS A 85 4.489 5.132 -7.895 1.00 0.00 N ATOM 1320 CD2 HIS A 85 6.197 6.157 -6.928 1.00 0.00 C ATOM 1321 CE1 HIS A 85 4.260 6.459 -7.908 1.00 0.00 C ATOM 1322 NE2 HIS A 85 5.281 7.118 -7.335 1.00 0.00 N ATOM 0 H HIS A 85 7.999 1.922 -6.326 1.00 0.00 H new ATOM 0 HA HIS A 85 6.675 2.504 -8.745 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.544 2.874 -6.707 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.904 3.715 -5.989 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.879 4.412 -8.282 1.00 0.00 H new ATOM 0 HD2 HIS A 85 7.138 6.348 -6.433 1.00 0.00 H new ATOM 0 HE1 HIS A 85 3.379 6.928 -8.321 1.00 0.00 H new ATOM 1330 N CYS A 86 9.112 4.573 -7.920 1.00 0.00 N ATOM 1331 CA CYS A 86 9.962 5.639 -8.409 1.00 0.00 C ATOM 1332 C CYS A 86 10.687 5.200 -9.671 1.00 0.00 C ATOM 1333 O CYS A 86 10.681 5.969 -10.624 1.00 0.00 O ATOM 1334 CB CYS A 86 10.958 6.011 -7.304 1.00 0.00 C ATOM 1335 SG CYS A 86 10.093 6.625 -5.826 1.00 0.00 S ATOM 0 H CYS A 86 9.352 4.247 -6.984 1.00 0.00 H new ATOM 0 HA CYS A 86 9.360 6.511 -8.663 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.559 5.140 -7.043 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.645 6.774 -7.671 1.00 0.00 H new ATOM 0 HG CYS A 86 9.560 5.625 -5.188 1.00 0.00 H new ATOM 1341 N ALA A 87 11.276 4.006 -9.716 1.00 0.00 N ATOM 1342 CA ALA A 87 12.045 3.580 -10.873 1.00 0.00 C ATOM 1343 C ALA A 87 11.157 3.314 -12.093 1.00 0.00 C ATOM 1344 O ALA A 87 11.604 3.568 -13.216 1.00 0.00 O ATOM 1345 CB ALA A 87 12.881 2.351 -10.511 1.00 0.00 C ATOM 0 H ALA A 87 11.233 3.320 -8.962 1.00 0.00 H new ATOM 0 HA ALA A 87 12.714 4.393 -11.154 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.457 2.034 -11.380 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.561 2.601 -9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.221 1.542 -10.197 1.00 0.00 H new ATOM 1351 N THR A 88 9.905 2.870 -11.914 1.00 0.00 N ATOM 1352 CA THR A 88 9.008 2.680 -13.052 1.00 0.00 C ATOM 1353 C THR A 88 8.515 4.020 -13.623 1.00 0.00 C ATOM 1354 O THR A 88 7.867 3.993 -14.669 1.00 0.00 O ATOM 1355 CB THR A 88 7.888 1.652 -12.748 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.143 1.355 -13.912 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.867 2.047 -11.680 1.00 0.00 C ATOM 0 H THR A 88 9.500 2.640 -11.007 1.00 0.00 H new ATOM 0 HA THR A 88 9.583 2.227 -13.860 1.00 0.00 H new ATOM 0 HB THR A 88 8.452 0.802 -12.364 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.126 2.140 -14.498 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.138 1.246 -11.560 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.379 2.217 -10.733 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.356 2.960 -11.985 1.00 0.00 H new ATOM 1365 N LEU A 89 8.822 5.169 -13.001 1.00 0.00 N ATOM 1366 CA LEU A 89 8.341 6.483 -13.429 1.00 0.00 C ATOM 1367 C LEU A 89 9.517 7.422 -13.688 1.00 0.00 C ATOM 1368 O LEU A 89 9.745 7.834 -14.822 1.00 0.00 O ATOM 1369 CB LEU A 89 7.354 7.053 -12.391 1.00 0.00 C ATOM 1370 CG LEU A 89 6.111 6.167 -12.174 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.197 6.702 -11.078 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.266 6.029 -13.442 1.00 0.00 C ATOM 0 H LEU A 89 9.420 5.207 -12.176 1.00 0.00 H new ATOM 0 HA LEU A 89 7.799 6.381 -14.369 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.871 7.179 -11.440 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.033 8.044 -12.712 1.00 0.00 H new ATOM 0 HG LEU A 89 6.513 5.196 -11.883 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.338 6.041 -10.966 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.745 6.747 -10.137 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.854 7.701 -11.346 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.403 5.396 -13.237 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.926 7.014 -13.761 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.867 5.579 -14.232 1.00 0.00 H new ATOM 1384 N GLY A 90 10.311 7.716 -12.662 1.00 0.00 N ATOM 1385 CA GLY A 90 11.524 8.532 -12.696 1.00 0.00 C ATOM 1386 C GLY A 90 11.841 9.203 -11.350 1.00 0.00 C ATOM 1387 O GLY A 90 12.738 10.049 -11.288 1.00 0.00 O ATOM 0 H GLY A 90 10.113 7.369 -11.724 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.367 7.906 -12.990 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.416 9.301 -13.461 1.00 0.00 H new ATOM 1391 N HIS A 91 11.104 8.876 -10.280 1.00 0.00 N ATOM 1392 CA HIS A 91 11.029 9.715 -9.078 1.00 0.00 C ATOM 1393 C HIS A 91 12.333 9.583 -8.280 1.00 0.00 C ATOM 1394 O HIS A 91 12.994 8.543 -8.344 1.00 0.00 O ATOM 1395 CB HIS A 91 9.766 9.377 -8.252 1.00 0.00 C ATOM 1396 CG HIS A 91 8.477 9.330 -9.048 1.00 0.00 C ATOM 1397 ND1 HIS A 91 7.246 8.824 -8.693 1.00 0.00 N ATOM 1398 CD2 HIS A 91 8.302 9.951 -10.242 1.00 0.00 C ATOM 1399 CE1 HIS A 91 6.358 9.227 -9.619 1.00 0.00 C ATOM 1400 NE2 HIS A 91 6.966 9.889 -10.612 1.00 0.00 N ATOM 0 H HIS A 91 10.545 8.025 -10.224 1.00 0.00 H new ATOM 0 HA HIS A 91 10.928 10.763 -9.359 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.913 8.411 -7.769 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.659 10.117 -7.459 1.00 0.00 H new ATOM 0 HD1 HIS A 91 7.044 8.248 -7.876 1.00 0.00 H new ATOM 0 HD2 HIS A 91 9.085 10.423 -10.818 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.295 9.041 -9.569 1.00 0.00 H new ATOM 1494 N HIS A 98 13.461 9.982 1.759 1.00 0.00 N ATOM 1495 CA HIS A 98 12.195 9.881 1.031 1.00 0.00 C ATOM 1496 C HIS A 98 11.037 10.387 1.914 1.00 0.00 C ATOM 1497 O HIS A 98 10.470 11.443 1.647 1.00 0.00 O ATOM 1498 CB HIS A 98 11.961 8.458 0.474 1.00 0.00 C ATOM 1499 CG HIS A 98 12.400 8.269 -0.948 1.00 0.00 C ATOM 1500 ND1 HIS A 98 13.518 7.593 -1.379 1.00 0.00 N ATOM 1501 CD2 HIS A 98 11.679 8.647 -2.043 1.00 0.00 C ATOM 1502 CE1 HIS A 98 13.482 7.577 -2.722 1.00 0.00 C ATOM 1503 NE2 HIS A 98 12.387 8.219 -3.173 1.00 0.00 N ATOM 0 HA HIS A 98 12.242 10.527 0.154 1.00 0.00 H new ATOM 0 HB2 HIS A 98 12.491 7.743 1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 98 10.899 8.222 0.548 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.738 9.177 -2.039 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.227 7.114 -3.352 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.125 8.365 -4.148 1.00 0.00 H new ATOM 1511 N LEU A 99 10.646 9.637 2.947 1.00 0.00 N ATOM 1512 CA LEU A 99 9.362 9.733 3.638 1.00 0.00 C ATOM 1513 C LEU A 99 9.564 9.638 5.138 1.00 0.00 C ATOM 1514 O LEU A 99 10.598 9.146 5.609 1.00 0.00 O ATOM 1515 CB LEU A 99 8.447 8.609 3.139 1.00 0.00 C ATOM 1516 CG LEU A 99 8.062 8.754 1.655 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.420 7.448 1.219 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.114 9.928 1.434 1.00 0.00 C ATOM 0 H LEU A 99 11.246 8.913 3.342 1.00 0.00 H new ATOM 0 HA LEU A 99 8.898 10.696 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.946 7.651 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.540 8.593 3.743 1.00 0.00 H new ATOM 0 HG LEU A 99 8.951 8.960 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.134 7.516 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.131 6.632 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.534 7.258 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.864 10.000 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.203 9.774 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.596 10.851 1.756 1.00 0.00 H new ATOM 1530 N HIS A 100 8.578 10.140 5.874 1.00 0.00 N ATOM 1531 CA HIS A 100 8.704 10.478 7.287 1.00 0.00 C ATOM 1532 C HIS A 100 7.708 9.674 8.128 1.00 0.00 C ATOM 1533 O HIS A 100 7.877 9.517 9.335 1.00 0.00 O ATOM 1534 CB HIS A 100 8.478 11.989 7.497 1.00 0.00 C ATOM 1535 CG HIS A 100 8.733 12.903 6.322 1.00 0.00 C ATOM 1536 ND1 HIS A 100 7.924 13.931 5.909 1.00 0.00 N ATOM 1537 CD2 HIS A 100 9.792 12.847 5.454 1.00 0.00 C ATOM 1538 CE1 HIS A 100 8.505 14.519 4.857 1.00 0.00 C ATOM 1539 NE2 HIS A 100 9.633 13.873 4.522 1.00 0.00 N ATOM 0 H HIS A 100 7.649 10.327 5.497 1.00 0.00 H new ATOM 0 HA HIS A 100 9.713 10.223 7.611 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.446 12.133 7.817 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.115 12.313 8.320 1.00 0.00 H new ATOM 0 HD1 HIS A 100 7.035 14.200 6.330 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.604 12.136 5.486 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.120 15.391 4.349 1.00 0.00 H new ATOM 1547 N SER A 101 6.648 9.169 7.489 1.00 0.00 N ATOM 1548 CA SER A 101 5.668 8.222 8.016 1.00 0.00 C ATOM 1549 C SER A 101 4.959 7.559 6.832 1.00 0.00 C ATOM 1550 O SER A 101 5.181 7.948 5.679 1.00 0.00 O ATOM 1551 CB SER A 101 4.667 8.945 8.932 1.00 0.00 C ATOM 1552 OG SER A 101 5.260 9.218 10.185 1.00 0.00 O ATOM 0 H SER A 101 6.441 9.430 6.525 1.00 0.00 H new ATOM 0 HA SER A 101 6.162 7.458 8.616 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.342 9.875 8.465 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.778 8.329 9.069 1.00 0.00 H new ATOM 0 HG SER A 101 6.234 9.259 10.084 1.00 0.00 H new ATOM 1558 N VAL A 102 4.107 6.566 7.087 1.00 0.00 N ATOM 1559 CA VAL A 102 3.208 6.035 6.068 1.00 0.00 C ATOM 1560 C VAL A 102 2.272 7.148 5.589 1.00 0.00 C ATOM 1561 O VAL A 102 2.015 7.244 4.397 1.00 0.00 O ATOM 1562 CB VAL A 102 2.430 4.844 6.658 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.239 4.434 5.774 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.416 3.678 6.853 1.00 0.00 C ATOM 0 H VAL A 102 4.022 6.112 7.997 1.00 0.00 H new ATOM 0 HA VAL A 102 3.770 5.678 5.205 1.00 0.00 H new ATOM 0 HB VAL A 102 2.001 5.133 7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.721 3.591 6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.551 5.274 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.601 4.147 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.888 2.821 7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.850 3.404 5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.210 3.983 7.535 1.00 0.00 H new ATOM 1574 N MET A 103 1.771 7.992 6.493 1.00 0.00 N ATOM 1575 CA MET A 103 0.850 9.067 6.145 1.00 0.00 C ATOM 1576 C MET A 103 1.500 10.042 5.164 1.00 0.00 C ATOM 1577 O MET A 103 0.878 10.415 4.173 1.00 0.00 O ATOM 1578 CB MET A 103 0.389 9.754 7.430 1.00 0.00 C ATOM 1579 CG MET A 103 -0.681 10.808 7.143 1.00 0.00 C ATOM 1580 SD MET A 103 -1.760 11.105 8.563 1.00 0.00 S ATOM 1581 CE MET A 103 -3.298 10.390 7.926 1.00 0.00 C ATOM 0 H MET A 103 1.995 7.946 7.487 1.00 0.00 H new ATOM 0 HA MET A 103 -0.025 8.661 5.638 1.00 0.00 H new ATOM 0 HB2 MET A 103 -0.007 9.010 8.121 1.00 0.00 H new ATOM 0 HB3 MET A 103 1.242 10.223 7.921 1.00 0.00 H new ATOM 0 HG2 MET A 103 -0.198 11.742 6.856 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.284 10.487 6.294 1.00 0.00 H new ATOM 0 HE1 MET A 103 -4.082 10.486 8.677 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.597 10.918 7.020 1.00 0.00 H new ATOM 0 HE3 MET A 103 -3.142 9.336 7.697 1.00 0.00 H new ATOM 1591 N ASP A 104 2.774 10.377 5.385 1.00 0.00 N ATOM 1592 CA ASP A 104 3.546 11.206 4.461 1.00 0.00 C ATOM 1593 C ASP A 104 3.600 10.573 3.083 1.00 0.00 C ATOM 1594 O ASP A 104 3.590 11.292 2.097 1.00 0.00 O ATOM 1595 CB ASP A 104 4.983 11.428 4.947 1.00 0.00 C ATOM 1596 CG ASP A 104 5.018 12.467 6.046 1.00 0.00 C ATOM 1597 OD1 ASP A 104 5.160 13.665 5.708 1.00 0.00 O ATOM 1598 OD2 ASP A 104 4.912 12.071 7.223 1.00 0.00 O ATOM 0 H ASP A 104 3.297 10.081 6.209 1.00 0.00 H new ATOM 0 HA ASP A 104 3.036 12.168 4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.398 10.489 5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.609 11.750 4.115 1.00 0.00 H new ATOM 1603 N ALA A 105 3.654 9.243 2.990 1.00 0.00 N ATOM 1604 CA ALA A 105 3.694 8.548 1.712 1.00 0.00 C ATOM 1605 C ALA A 105 2.403 8.752 0.922 1.00 0.00 C ATOM 1606 O ALA A 105 2.453 8.912 -0.294 1.00 0.00 O ATOM 1607 CB ALA A 105 3.913 7.050 1.956 1.00 0.00 C ATOM 0 H ALA A 105 3.671 8.623 3.800 1.00 0.00 H new ATOM 0 HA ALA A 105 4.516 8.960 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.943 6.526 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.856 6.901 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.095 6.656 2.560 1.00 0.00 H new ATOM 1613 N ILE A 106 1.255 8.729 1.604 1.00 0.00 N ATOM 1614 CA ILE A 106 -0.050 8.967 0.998 1.00 0.00 C ATOM 1615 C ILE A 106 -0.036 10.370 0.389 1.00 0.00 C ATOM 1616 O ILE A 106 -0.368 10.543 -0.786 1.00 0.00 O ATOM 1617 CB ILE A 106 -1.167 8.798 2.052 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -1.137 7.425 2.747 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -2.565 9.056 1.476 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -1.341 6.209 1.840 1.00 0.00 C ATOM 0 H ILE A 106 1.209 8.542 2.606 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.254 8.241 0.211 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.958 9.560 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.178 7.318 3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.909 7.413 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.311 8.923 2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.618 10.075 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.760 8.353 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.300 5.298 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.313 6.279 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.556 6.183 1.085 1.00 0.00 H new ATOM 1632 N ASP A 107 0.359 11.352 1.198 1.00 0.00 N ATOM 1633 CA ASP A 107 0.371 12.763 0.834 1.00 0.00 C ATOM 1634 C ASP A 107 1.344 12.991 -0.329 1.00 0.00 C ATOM 1635 O ASP A 107 0.964 13.553 -1.351 1.00 0.00 O ATOM 1636 CB ASP A 107 0.722 13.586 2.084 1.00 0.00 C ATOM 1637 CG ASP A 107 0.037 14.949 2.181 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -1.020 15.194 1.560 1.00 0.00 O ATOM 1639 OD2 ASP A 107 0.495 15.766 3.019 1.00 0.00 O ATOM 0 H ASP A 107 0.687 11.181 2.148 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.609 13.089 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.462 13.003 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.801 13.737 2.108 1.00 0.00 H new ATOM 1644 N PHE A 108 2.570 12.469 -0.208 1.00 0.00 N ATOM 1645 CA PHE A 108 3.650 12.549 -1.185 1.00 0.00 C ATOM 1646 C PHE A 108 3.220 12.018 -2.549 1.00 0.00 C ATOM 1647 O PHE A 108 3.428 12.689 -3.553 1.00 0.00 O ATOM 1648 CB PHE A 108 4.858 11.731 -0.691 1.00 0.00 C ATOM 1649 CG PHE A 108 6.024 11.699 -1.666 1.00 0.00 C ATOM 1650 CD1 PHE A 108 6.687 12.893 -2.011 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.417 10.486 -2.269 1.00 0.00 C ATOM 1652 CE1 PHE A 108 7.728 12.875 -2.955 1.00 0.00 C ATOM 1653 CE2 PHE A 108 7.471 10.468 -3.200 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.126 11.662 -3.546 1.00 0.00 C ATOM 0 H PHE A 108 2.846 11.950 0.625 1.00 0.00 H new ATOM 0 HA PHE A 108 3.918 13.600 -1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.202 12.146 0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.535 10.709 -0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.395 13.824 -1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.907 9.568 -2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.224 13.795 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 108 7.777 9.535 -3.650 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.933 11.649 -4.264 1.00 0.00 H new ATOM 1664 N LEU A 109 2.676 10.798 -2.597 1.00 0.00 N ATOM 1665 CA LEU A 109 2.384 10.132 -3.862 1.00 0.00 C ATOM 1666 C LEU A 109 1.361 10.923 -4.666 1.00 0.00 C ATOM 1667 O LEU A 109 1.481 11.039 -5.884 1.00 0.00 O ATOM 1668 CB LEU A 109 1.878 8.711 -3.594 1.00 0.00 C ATOM 1669 CG LEU A 109 3.012 7.738 -3.218 1.00 0.00 C ATOM 1670 CD1 LEU A 109 2.428 6.456 -2.618 1.00 0.00 C ATOM 1671 CD2 LEU A 109 3.864 7.379 -4.436 1.00 0.00 C ATOM 0 H LEU A 109 2.430 10.254 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 109 3.301 10.077 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.145 8.737 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.365 8.339 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 109 3.646 8.236 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.238 5.775 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.856 6.701 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.774 5.978 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.655 6.691 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.237 6.905 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.308 8.285 -4.849 1.00 0.00 H new ATOM 1683 N ASN A 110 0.383 11.506 -3.981 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.629 12.347 -4.616 1.00 0.00 C ATOM 1685 C ASN A 110 -0.085 13.744 -4.915 1.00 0.00 C ATOM 1686 O ASN A 110 -0.569 14.399 -5.832 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.881 12.462 -3.738 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.659 11.156 -3.689 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.540 10.898 -4.500 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.354 10.291 -2.733 1.00 0.00 N ATOM 0 H ASN A 110 0.268 11.410 -2.972 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.898 11.868 -5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.591 12.750 -2.728 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.524 13.254 -4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -2.854 9.404 -2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.619 10.512 -2.061 1.00 0.00 H new ATOM 1697 N ALA A 111 0.909 14.217 -4.164 1.00 0.00 N ATOM 1698 CA ALA A 111 1.571 15.480 -4.435 1.00 0.00 C ATOM 1699 C ALA A 111 2.523 15.396 -5.637 1.00 0.00 C ATOM 1700 O ALA A 111 2.744 16.418 -6.287 1.00 0.00 O ATOM 1701 CB ALA A 111 2.320 15.921 -3.181 1.00 0.00 C ATOM 0 H ALA A 111 1.275 13.728 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 111 0.812 16.217 -4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.822 16.869 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.614 16.043 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.060 15.166 -2.915 1.00 0.00 H new ATOM 1707 N LEU A 112 3.056 14.210 -5.960 1.00 0.00 N ATOM 1708 CA LEU A 112 3.920 14.026 -7.124 1.00 0.00 C ATOM 1709 C LEU A 112 3.130 14.245 -8.409 1.00 0.00 C ATOM 1710 O LEU A 112 3.607 14.926 -9.320 1.00 0.00 O ATOM 1711 CB LEU A 112 4.540 12.613 -7.167 1.00 0.00 C ATOM 1712 CG LEU A 112 5.783 12.363 -6.295 1.00 0.00 C ATOM 1713 CD1 LEU A 112 6.382 10.996 -6.659 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.879 13.405 -6.548 1.00 0.00 C ATOM 0 H LEU A 112 2.899 13.358 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 112 4.723 14.758 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.772 11.898 -6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.803 12.391 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 112 5.464 12.414 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.264 10.810 -6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.643 10.215 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.665 10.991 -7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.738 13.191 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.183 13.366 -7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.496 14.399 -6.318 1.00 0.00 H new