USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 852 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 86 CYS SG : rot 167:sc= 0.428 USER MOD Set 1.2: A 98 HIS : no HE2:sc= 0.185 K(o=0.61,f=-2.4) USER MOD Set 2.1: A 38 CYS SG : rot 180:sc= 0.12 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -110:sc= 0.0517 (180deg=-0.0796) USER MOD Set 3.1: A 19 GLN :FLIP amide:sc= -0.77 F(o=-1.6,f=-0.83) USER MOD Set 3.2: A 22 CYS SG : rot -175:sc= -0.0625 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.0135) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-2.2) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.392 K(o=-0.39,f=-2) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 152:sc= 1.28 USER MOD Single : A 31 ASN : amide:sc= 0.834 K(o=0.83,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 28:sc= 1.19 USER MOD Single : A 43 HIS : no HE2:sc= -1.99 K(o=-2,f=-2.6) USER MOD Single : A 46 GLN : amide:sc= 0.751 K(o=0.75,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc=-0.00438 (180deg=-0.00438) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0415 USER MOD Single : A 55 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.62) USER MOD Single : A 57 HIS : no HD1:sc=-0.00827 X(o=-0.0083,f=0) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.259 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.314 F(o=-1.7,f=-0.31) USER MOD Single : A 68 HIS : no HD1:sc= -0.815 X(o=-0.81,f=-0.33) USER MOD Single : A 79 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.7!) USER MOD Single : A 85 HIS : no HD1:sc= -2.6! C(o=-2.6!,f=-5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.259 X(o=-0.26,f=-0.6) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot -38:sc= 0.565 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 95 SER OG : rot -44:sc= 0.141 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 177:sc= -1.99! (180deg=-2.24!) USER MOD Single : A 100 HIS : no HE2:sc= 0.9 K(o=0.9,f=-2.8!) USER MOD Single : A 101 SER OG : rot 36:sc= 1.21 USER MOD Single : A 103 MET CE :methyl -175:sc= -0.258 (180deg=-0.31) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.425 -10.424 9.999 1.00 0.00 N ATOM 2 CA MET A 1 -19.783 -10.416 9.435 1.00 0.00 C ATOM 3 C MET A 1 -20.515 -9.188 9.950 1.00 0.00 C ATOM 4 O MET A 1 -20.647 -9.027 11.166 1.00 0.00 O ATOM 5 CB MET A 1 -20.580 -11.681 9.786 1.00 0.00 C ATOM 6 CG MET A 1 -19.903 -12.977 9.326 1.00 0.00 C ATOM 7 SD MET A 1 -19.340 -13.005 7.606 1.00 0.00 S ATOM 8 CE MET A 1 -20.930 -13.171 6.750 1.00 0.00 C ATOM 0 H1 MET A 1 -17.894 -11.232 9.615 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.939 -9.540 9.747 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.480 -10.506 11.034 1.00 0.00 H new ATOM 0 HA MET A 1 -19.695 -10.392 8.349 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.727 -11.720 10.865 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.569 -11.616 9.332 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.046 -13.166 9.972 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.601 -13.801 9.473 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.762 -13.204 5.674 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.421 -14.091 7.069 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.565 -12.319 6.993 1.00 0.00 H new ATOM 18 N GLY A 2 -20.984 -8.320 9.051 1.00 0.00 N ATOM 19 CA GLY A 2 -21.684 -7.095 9.412 1.00 0.00 C ATOM 20 C GLY A 2 -20.735 -6.047 9.986 1.00 0.00 C ATOM 21 O GLY A 2 -21.148 -5.255 10.836 1.00 0.00 O ATOM 0 H GLY A 2 -20.885 -8.453 8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -22.184 -6.690 8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.460 -7.322 10.143 1.00 0.00 H new ATOM 25 N ALA A 3 -19.455 -6.068 9.592 1.00 0.00 N ATOM 26 CA ALA A 3 -18.441 -5.175 10.141 1.00 0.00 C ATOM 27 C ALA A 3 -18.243 -3.914 9.307 1.00 0.00 C ATOM 28 O ALA A 3 -18.039 -2.833 9.863 1.00 0.00 O ATOM 29 CB ALA A 3 -17.121 -5.932 10.281 1.00 0.00 C ATOM 0 H ALA A 3 -19.099 -6.708 8.882 1.00 0.00 H new ATOM 0 HA ALA A 3 -18.792 -4.845 11.119 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.362 -5.266 10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -17.258 -6.782 10.950 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -16.800 -6.289 9.302 1.00 0.00 H new ATOM 35 N GLY A 4 -18.252 -4.067 7.991 1.00 0.00 N ATOM 36 CA GLY A 4 -17.731 -3.107 7.031 1.00 0.00 C ATOM 37 C GLY A 4 -17.162 -3.890 5.852 1.00 0.00 C ATOM 38 O GLY A 4 -17.475 -5.075 5.697 1.00 0.00 O ATOM 0 H GLY A 4 -18.639 -4.899 7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.520 -2.434 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.958 -2.490 7.489 1.00 0.00 H new ATOM 42 N GLN A 5 -16.310 -3.270 5.032 1.00 0.00 N ATOM 43 CA GLN A 5 -15.623 -3.927 3.923 1.00 0.00 C ATOM 44 C GLN A 5 -14.151 -3.506 3.913 1.00 0.00 C ATOM 45 O GLN A 5 -13.797 -2.488 3.313 1.00 0.00 O ATOM 46 CB GLN A 5 -16.287 -3.615 2.576 1.00 0.00 C ATOM 47 CG GLN A 5 -17.717 -4.141 2.405 1.00 0.00 C ATOM 48 CD GLN A 5 -18.270 -3.833 1.010 1.00 0.00 C ATOM 49 OE1 GLN A 5 -17.564 -3.861 -0.001 1.00 0.00 O ATOM 50 NE2 GLN A 5 -19.546 -3.506 0.909 1.00 0.00 N ATOM 0 H GLN A 5 -16.076 -2.281 5.123 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.691 -5.005 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.298 -2.534 2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -15.668 -4.031 1.781 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.731 -5.218 2.573 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -18.363 -3.692 3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.134 -3.482 1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.943 -3.278 -0.002 1.00 0.00 H new ATOM 59 N THR A 6 -13.289 -4.291 4.553 1.00 0.00 N ATOM 60 CA THR A 6 -11.842 -4.037 4.672 1.00 0.00 C ATOM 61 C THR A 6 -11.016 -5.254 4.211 1.00 0.00 C ATOM 62 O THR A 6 -11.583 -6.340 4.043 1.00 0.00 O ATOM 63 CB THR A 6 -11.514 -3.598 6.120 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.373 -4.208 7.060 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.696 -2.090 6.298 1.00 0.00 C ATOM 0 H THR A 6 -13.579 -5.150 5.020 1.00 0.00 H new ATOM 0 HA THR A 6 -11.561 -3.222 4.005 1.00 0.00 H new ATOM 0 HB THR A 6 -10.479 -3.896 6.289 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.135 -3.909 7.963 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.458 -1.814 7.325 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.031 -1.560 5.616 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.729 -1.820 6.080 1.00 0.00 H new ATOM 73 N PRO A 7 -9.699 -5.107 3.948 1.00 0.00 N ATOM 74 CA PRO A 7 -8.844 -6.228 3.562 1.00 0.00 C ATOM 75 C PRO A 7 -8.503 -7.117 4.763 1.00 0.00 C ATOM 76 O PRO A 7 -8.625 -8.340 4.674 1.00 0.00 O ATOM 77 CB PRO A 7 -7.598 -5.597 2.930 1.00 0.00 C ATOM 78 CG PRO A 7 -7.489 -4.244 3.627 1.00 0.00 C ATOM 79 CD PRO A 7 -8.950 -3.856 3.865 1.00 0.00 C ATOM 0 HA PRO A 7 -9.344 -6.892 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.711 -6.207 3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.708 -5.485 1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.934 -4.316 4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.974 -3.511 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.054 -3.279 4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.324 -3.232 3.053 1.00 0.00 H new ATOM 87 N HIS A 8 -8.093 -6.501 5.875 1.00 0.00 N ATOM 88 CA HIS A 8 -7.719 -7.128 7.133 1.00 0.00 C ATOM 89 C HIS A 8 -8.113 -6.154 8.245 1.00 0.00 C ATOM 90 O HIS A 8 -7.989 -4.945 8.026 1.00 0.00 O ATOM 91 CB HIS A 8 -6.193 -7.326 7.156 1.00 0.00 C ATOM 92 CG HIS A 8 -5.729 -8.298 8.202 1.00 0.00 C ATOM 93 ND1 HIS A 8 -4.947 -8.021 9.300 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.017 -9.633 8.217 1.00 0.00 C ATOM 95 CE1 HIS A 8 -4.792 -9.175 9.978 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.428 -10.177 9.358 1.00 0.00 N ATOM 0 H HIS A 8 -8.010 -5.485 5.917 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.209 -8.093 7.260 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.865 -7.675 6.177 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.713 -6.363 7.328 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.595 -10.170 7.480 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.232 -9.278 10.896 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.473 -11.150 9.661 1.00 0.00 H new ATOM 104 N PRO A 9 -8.500 -6.607 9.448 1.00 0.00 N ATOM 105 CA PRO A 9 -8.851 -5.691 10.525 1.00 0.00 C ATOM 106 C PRO A 9 -7.625 -5.045 11.180 1.00 0.00 C ATOM 107 O PRO A 9 -7.713 -3.900 11.615 1.00 0.00 O ATOM 108 CB PRO A 9 -9.628 -6.543 11.523 1.00 0.00 C ATOM 109 CG PRO A 9 -9.018 -7.935 11.347 1.00 0.00 C ATOM 110 CD PRO A 9 -8.767 -7.984 9.841 1.00 0.00 C ATOM 0 HA PRO A 9 -9.434 -4.850 10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.508 -6.177 12.543 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.696 -6.542 11.307 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.097 -8.052 11.918 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.697 -8.722 11.673 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.922 -8.631 9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.632 -8.383 9.311 1.00 0.00 H new ATOM 118 N GLN A 10 -6.487 -5.750 11.263 1.00 0.00 N ATOM 119 CA GLN A 10 -5.271 -5.197 11.862 1.00 0.00 C ATOM 120 C GLN A 10 -4.445 -4.366 10.868 1.00 0.00 C ATOM 121 O GLN A 10 -3.428 -3.813 11.286 1.00 0.00 O ATOM 122 CB GLN A 10 -4.401 -6.300 12.492 1.00 0.00 C ATOM 123 CG GLN A 10 -5.027 -6.980 13.722 1.00 0.00 C ATOM 124 CD GLN A 10 -3.990 -7.208 14.827 1.00 0.00 C ATOM 125 OE1 GLN A 10 -4.108 -6.672 15.927 1.00 0.00 O ATOM 126 NE2 GLN A 10 -2.926 -7.947 14.563 1.00 0.00 N ATOM 0 H GLN A 10 -6.387 -6.706 10.921 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.603 -4.522 12.651 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.196 -7.059 11.737 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.442 -5.869 12.779 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.839 -6.363 14.106 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.463 -7.935 13.428 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.828 -8.392 13.650 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.203 -8.072 15.272 1.00 0.00 H new ATOM 135 N LEU A 11 -4.825 -4.292 9.585 1.00 0.00 N ATOM 136 CA LEU A 11 -4.286 -3.283 8.675 1.00 0.00 C ATOM 137 C LEU A 11 -4.779 -1.909 9.142 1.00 0.00 C ATOM 138 O LEU A 11 -5.985 -1.748 9.351 1.00 0.00 O ATOM 139 CB LEU A 11 -4.733 -3.620 7.240 1.00 0.00 C ATOM 140 CG LEU A 11 -4.440 -2.500 6.222 1.00 0.00 C ATOM 141 CD1 LEU A 11 -3.911 -3.075 4.907 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.691 -1.657 5.929 1.00 0.00 C ATOM 0 H LEU A 11 -5.504 -4.921 9.158 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.196 -3.269 8.680 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.232 -4.533 6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.803 -3.827 7.241 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.680 -1.861 6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.713 -2.262 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.989 -3.625 5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.654 -3.748 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.444 -0.878 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.473 -2.297 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.044 -1.197 6.852 1.00 0.00 H new ATOM 154 N ILE A 12 -3.881 -0.938 9.336 1.00 0.00 N ATOM 155 CA ILE A 12 -4.227 0.397 9.839 1.00 0.00 C ATOM 156 C ILE A 12 -3.930 1.415 8.744 1.00 0.00 C ATOM 157 O ILE A 12 -2.799 1.496 8.267 1.00 0.00 O ATOM 158 CB ILE A 12 -3.454 0.732 11.130 1.00 0.00 C ATOM 159 CG1 ILE A 12 -3.484 -0.369 12.200 1.00 0.00 C ATOM 160 CG2 ILE A 12 -3.944 2.062 11.739 1.00 0.00 C ATOM 161 CD1 ILE A 12 -4.870 -0.883 12.609 1.00 0.00 C ATOM 0 H ILE A 12 -2.886 -1.056 9.147 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.287 0.425 10.093 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.414 0.821 10.815 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.899 -1.214 11.837 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.982 0.007 13.091 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.382 2.274 12.649 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.792 2.869 11.022 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.005 1.984 11.978 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.761 -1.657 13.369 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.460 -0.059 13.011 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.375 -1.299 11.738 1.00 0.00 H new ATOM 173 N TRP A 13 -4.947 2.146 8.287 1.00 0.00 N ATOM 174 CA TRP A 13 -4.819 3.112 7.198 1.00 0.00 C ATOM 175 C TRP A 13 -3.874 4.267 7.569 1.00 0.00 C ATOM 176 O TRP A 13 -3.756 4.629 8.746 1.00 0.00 O ATOM 177 CB TRP A 13 -6.212 3.589 6.777 1.00 0.00 C ATOM 178 CG TRP A 13 -7.134 2.473 6.387 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.044 1.912 7.207 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.211 1.714 5.139 1.00 0.00 C ATOM 181 NE1 TRP A 13 -8.696 0.889 6.561 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.209 0.702 5.288 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.536 1.760 3.900 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.517 -0.216 4.272 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.815 0.817 2.889 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.800 -0.168 3.068 1.00 0.00 C ATOM 0 H TRP A 13 -5.892 2.083 8.667 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.357 2.627 6.338 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.659 4.149 7.598 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.113 4.278 5.938 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.234 2.221 8.224 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.448 0.337 6.974 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.796 2.527 3.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.296 -0.950 4.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.262 0.853 1.962 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.004 -0.883 2.284 1.00 0.00 H new ATOM 197 N PRO A 14 -3.230 4.894 6.572 1.00 0.00 N ATOM 198 CA PRO A 14 -3.339 4.579 5.149 1.00 0.00 C ATOM 199 C PRO A 14 -2.601 3.296 4.752 1.00 0.00 C ATOM 200 O PRO A 14 -1.832 2.743 5.543 1.00 0.00 O ATOM 201 CB PRO A 14 -2.710 5.757 4.443 1.00 0.00 C ATOM 202 CG PRO A 14 -1.691 6.301 5.435 1.00 0.00 C ATOM 203 CD PRO A 14 -2.333 6.014 6.784 1.00 0.00 C ATOM 0 HA PRO A 14 -4.383 4.409 4.884 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.233 5.452 3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.455 6.510 4.188 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.726 5.804 5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.517 7.367 5.290 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.578 5.772 7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.877 6.885 7.150 1.00 0.00 H new ATOM 211 N ALA A 15 -2.831 2.808 3.530 1.00 0.00 N ATOM 212 CA ALA A 15 -2.188 1.615 2.994 1.00 0.00 C ATOM 213 C ALA A 15 -1.536 1.897 1.649 1.00 0.00 C ATOM 214 O ALA A 15 -1.806 2.907 1.006 1.00 0.00 O ATOM 215 CB ALA A 15 -3.181 0.457 2.848 1.00 0.00 C ATOM 0 H ALA A 15 -3.483 3.243 2.877 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.417 1.325 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.666 -0.415 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.601 0.213 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.983 0.749 2.171 1.00 0.00 H new ATOM 221 N LEU A 16 -0.703 0.960 1.214 1.00 0.00 N ATOM 222 CA LEU A 16 0.065 1.001 -0.015 1.00 0.00 C ATOM 223 C LEU A 16 0.101 -0.419 -0.567 1.00 0.00 C ATOM 224 O LEU A 16 0.810 -1.285 -0.040 1.00 0.00 O ATOM 225 CB LEU A 16 1.471 1.557 0.286 1.00 0.00 C ATOM 226 CG LEU A 16 1.524 3.095 0.211 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.798 3.631 0.862 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.490 3.599 -1.233 1.00 0.00 C ATOM 0 H LEU A 16 -0.539 0.104 1.743 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.380 1.658 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.781 1.234 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.184 1.137 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 16 0.643 3.455 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.811 4.719 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.825 3.331 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.668 3.226 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.529 4.688 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.347 3.202 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.570 3.266 -1.713 1.00 0.00 H new ATOM 240 N LEU A 17 -0.720 -0.684 -1.583 1.00 0.00 N ATOM 241 CA LEU A 17 -0.669 -1.924 -2.351 1.00 0.00 C ATOM 242 C LEU A 17 0.499 -1.795 -3.330 1.00 0.00 C ATOM 243 O LEU A 17 0.666 -0.731 -3.934 1.00 0.00 O ATOM 244 CB LEU A 17 -2.007 -2.101 -3.090 1.00 0.00 C ATOM 245 CG LEU A 17 -2.134 -3.368 -3.959 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.396 -4.618 -3.116 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.307 -3.211 -4.929 1.00 0.00 C ATOM 0 H LEU A 17 -1.444 -0.038 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.519 -2.798 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.809 -2.108 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.167 -1.230 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.189 -3.487 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.478 -5.487 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.572 -4.766 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.325 -4.493 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.395 -4.108 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.228 -3.065 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.135 -2.348 -5.572 1.00 0.00 H new ATOM 259 N LYS A 18 1.293 -2.855 -3.509 1.00 0.00 N ATOM 260 CA LYS A 18 2.313 -2.909 -4.556 1.00 0.00 C ATOM 261 C LYS A 18 2.187 -4.269 -5.214 1.00 0.00 C ATOM 262 O LYS A 18 2.794 -5.218 -4.726 1.00 0.00 O ATOM 263 CB LYS A 18 3.737 -2.625 -4.019 1.00 0.00 C ATOM 264 CG LYS A 18 4.565 -1.778 -4.993 1.00 0.00 C ATOM 265 CD LYS A 18 4.885 -2.463 -6.318 1.00 0.00 C ATOM 266 CE LYS A 18 5.749 -3.719 -6.238 1.00 0.00 C ATOM 267 NZ LYS A 18 7.193 -3.450 -6.080 1.00 0.00 N ATOM 0 H LYS A 18 1.246 -3.696 -2.934 1.00 0.00 H new ATOM 0 HA LYS A 18 2.150 -2.119 -5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.666 -2.109 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.249 -3.569 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.026 -0.853 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.501 -1.500 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.945 -2.725 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.388 -1.742 -6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.410 -4.327 -5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.597 -4.309 -7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.711 -4.351 -6.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.534 -2.896 -6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.352 -2.914 -5.203 1.00 0.00 H new ATOM 281 N GLN A 19 1.390 -4.362 -6.274 1.00 0.00 N ATOM 282 CA GLN A 19 1.097 -5.626 -6.924 1.00 0.00 C ATOM 283 C GLN A 19 2.365 -6.349 -7.363 1.00 0.00 C ATOM 284 O GLN A 19 3.358 -5.734 -7.765 1.00 0.00 O ATOM 285 CB GLN A 19 0.187 -5.401 -8.132 1.00 0.00 C ATOM 286 CG GLN A 19 -1.286 -5.322 -7.742 1.00 0.00 C ATOM 287 CD GLN A 19 -2.175 -5.714 -8.916 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.997 -6.729 -8.757 1.00 0.00 O flip ATOM 289 NE2 GLN A 19 -2.147 -5.092 -9.976 1.00 0.00 N flip ATOM 0 H GLN A 19 0.930 -3.559 -6.704 1.00 0.00 H new ATOM 0 HA GLN A 19 0.589 -6.256 -6.194 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.477 -4.479 -8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.328 -6.212 -8.846 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.479 -5.982 -6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.528 -4.310 -7.418 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.506 -4.307 -10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.765 -5.361 -10.742 1.00 0.00 H new ATOM 298 N GLN A 20 2.296 -7.678 -7.331 1.00 0.00 N ATOM 299 CA GLN A 20 3.377 -8.562 -7.668 1.00 0.00 C ATOM 300 C GLN A 20 3.598 -8.578 -9.176 1.00 0.00 C ATOM 301 O GLN A 20 2.911 -9.267 -9.938 1.00 0.00 O ATOM 302 CB GLN A 20 3.080 -9.932 -7.036 1.00 0.00 C ATOM 303 CG GLN A 20 4.202 -10.365 -6.093 1.00 0.00 C ATOM 304 CD GLN A 20 4.574 -9.406 -4.958 1.00 0.00 C ATOM 305 OE1 GLN A 20 3.987 -8.356 -4.739 1.00 0.00 O ATOM 306 NE2 GLN A 20 5.609 -9.731 -4.205 1.00 0.00 N ATOM 0 H GLN A 20 1.448 -8.174 -7.058 1.00 0.00 H new ATOM 0 HA GLN A 20 4.329 -8.222 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.139 -9.885 -6.488 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.954 -10.677 -7.821 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.920 -11.320 -5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.096 -10.543 -6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.109 -10.603 -4.375 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.908 -9.110 -3.453 1.00 0.00 H new ATOM 315 N GLY A 21 4.564 -7.774 -9.599 1.00 0.00 N ATOM 316 CA GLY A 21 4.952 -7.552 -10.975 1.00 0.00 C ATOM 317 C GLY A 21 5.107 -6.064 -11.209 1.00 0.00 C ATOM 318 O GLY A 21 6.146 -5.616 -11.703 1.00 0.00 O ATOM 0 H GLY A 21 5.128 -7.229 -8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.889 -8.067 -11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.201 -7.963 -11.649 1.00 0.00 H new ATOM 322 N CYS A 22 4.098 -5.302 -10.796 1.00 0.00 N ATOM 323 CA CYS A 22 4.035 -3.861 -10.942 1.00 0.00 C ATOM 324 C CYS A 22 5.121 -3.176 -10.111 1.00 0.00 C ATOM 325 O CYS A 22 5.823 -3.796 -9.306 1.00 0.00 O ATOM 326 CB CYS A 22 2.638 -3.383 -10.519 1.00 0.00 C ATOM 327 SG CYS A 22 1.332 -4.317 -11.375 1.00 0.00 S ATOM 0 H CYS A 22 3.275 -5.690 -10.335 1.00 0.00 H new ATOM 0 HA CYS A 22 4.212 -3.595 -11.984 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.523 -3.498 -9.441 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.533 -2.321 -10.740 1.00 0.00 H new ATOM 0 HG CYS A 22 0.171 -3.817 -11.072 1.00 0.00 H new ATOM 333 N ASN A 23 5.233 -1.864 -10.297 1.00 0.00 N ATOM 334 CA ASN A 23 6.131 -0.990 -9.545 1.00 0.00 C ATOM 335 C ASN A 23 5.345 0.202 -9.013 1.00 0.00 C ATOM 336 O ASN A 23 5.671 0.766 -7.973 1.00 0.00 O ATOM 337 CB ASN A 23 7.260 -0.443 -10.445 1.00 0.00 C ATOM 338 CG ASN A 23 7.846 -1.525 -11.322 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.438 -2.477 -10.826 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.588 -1.467 -12.613 1.00 0.00 N ATOM 0 H ASN A 23 4.685 -1.363 -10.997 1.00 0.00 H new ATOM 0 HA ASN A 23 6.564 -1.574 -8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.871 0.361 -11.069 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.045 -0.013 -9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.883 -2.227 -13.227 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.094 -0.662 -12.999 1.00 0.00 H new ATOM 347 N GLU A 24 4.325 0.597 -9.765 1.00 0.00 N ATOM 348 CA GLU A 24 3.459 1.735 -9.568 1.00 0.00 C ATOM 349 C GLU A 24 2.617 1.507 -8.313 1.00 0.00 C ATOM 350 O GLU A 24 1.610 0.801 -8.370 1.00 0.00 O ATOM 351 CB GLU A 24 2.637 1.806 -10.857 1.00 0.00 C ATOM 352 CG GLU A 24 1.618 2.936 -10.964 1.00 0.00 C ATOM 353 CD GLU A 24 0.999 2.828 -12.356 1.00 0.00 C ATOM 354 OE1 GLU A 24 0.130 1.947 -12.559 1.00 0.00 O ATOM 355 OE2 GLU A 24 1.516 3.488 -13.285 1.00 0.00 O ATOM 0 H GLU A 24 4.066 0.076 -10.603 1.00 0.00 H new ATOM 0 HA GLU A 24 3.976 2.680 -9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.328 1.892 -11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.108 0.860 -10.975 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.855 2.845 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.097 3.905 -10.826 1.00 0.00 H new ATOM 362 N LEU A 25 3.062 2.043 -7.168 1.00 0.00 N ATOM 363 CA LEU A 25 2.350 1.938 -5.887 1.00 0.00 C ATOM 364 C LEU A 25 0.911 2.423 -6.053 1.00 0.00 C ATOM 365 O LEU A 25 0.688 3.433 -6.726 1.00 0.00 O ATOM 366 CB LEU A 25 3.012 2.799 -4.782 1.00 0.00 C ATOM 367 CG LEU A 25 3.971 2.110 -3.795 1.00 0.00 C ATOM 368 CD1 LEU A 25 3.276 0.988 -3.019 1.00 0.00 C ATOM 369 CD2 LEU A 25 5.269 1.621 -4.442 1.00 0.00 C ATOM 0 H LEU A 25 3.935 2.567 -7.105 1.00 0.00 H new ATOM 0 HA LEU A 25 2.383 0.890 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.561 3.603 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.215 3.264 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 25 4.263 2.882 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.986 0.526 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.440 1.400 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.906 0.237 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.896 1.146 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.036 0.900 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.801 2.468 -4.875 1.00 0.00 H new ATOM 381 N LEU A 26 -0.017 1.768 -5.354 1.00 0.00 N ATOM 382 CA LEU A 26 -1.427 2.141 -5.248 1.00 0.00 C ATOM 383 C LEU A 26 -1.709 2.596 -3.798 1.00 0.00 C ATOM 384 O LEU A 26 -1.926 1.747 -2.929 1.00 0.00 O ATOM 385 CB LEU A 26 -2.383 1.078 -5.803 1.00 0.00 C ATOM 386 CG LEU A 26 -3.814 1.543 -6.144 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.608 2.002 -4.922 1.00 0.00 C ATOM 388 CD2 LEU A 26 -3.869 2.621 -7.230 1.00 0.00 C ATOM 0 H LEU A 26 0.204 0.926 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.632 2.989 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.938 0.658 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.452 0.270 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.289 0.646 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.605 2.316 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.691 1.179 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.095 2.839 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.907 2.898 -7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.313 3.499 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.426 2.235 -8.148 1.00 0.00 H new ATOM 400 N PRO A 27 -1.505 3.886 -3.474 1.00 0.00 N ATOM 401 CA PRO A 27 -1.835 4.509 -2.185 1.00 0.00 C ATOM 402 C PRO A 27 -3.343 4.466 -1.902 1.00 0.00 C ATOM 403 O PRO A 27 -4.139 4.809 -2.773 1.00 0.00 O ATOM 404 CB PRO A 27 -1.348 5.958 -2.330 1.00 0.00 C ATOM 405 CG PRO A 27 -1.394 6.246 -3.819 1.00 0.00 C ATOM 406 CD PRO A 27 -1.121 4.895 -4.445 1.00 0.00 C ATOM 0 HA PRO A 27 -1.368 3.988 -1.350 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.987 6.646 -1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.338 6.075 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.364 6.641 -4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.645 6.982 -4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.689 4.777 -5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.067 4.797 -4.705 1.00 0.00 H new ATOM 414 N LEU A 28 -3.733 4.136 -0.665 1.00 0.00 N ATOM 415 CA LEU A 28 -5.095 4.225 -0.142 1.00 0.00 C ATOM 416 C LEU A 28 -5.069 5.092 1.113 1.00 0.00 C ATOM 417 O LEU A 28 -4.481 4.697 2.120 1.00 0.00 O ATOM 418 CB LEU A 28 -5.671 2.852 0.245 1.00 0.00 C ATOM 419 CG LEU A 28 -6.039 1.847 -0.858 1.00 0.00 C ATOM 420 CD1 LEU A 28 -6.698 2.471 -2.087 1.00 0.00 C ATOM 421 CD2 LEU A 28 -4.855 0.972 -1.271 1.00 0.00 C ATOM 0 H LEU A 28 -3.074 3.783 0.029 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.724 4.647 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.947 2.367 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.568 3.030 0.838 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.794 1.212 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.924 1.691 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.621 2.970 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.020 3.198 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.169 0.280 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.050 1.603 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.501 0.408 -0.408 1.00 0.00 H new ATOM 433 N ARG A 29 -5.721 6.252 1.069 1.00 0.00 N ATOM 434 CA ARG A 29 -5.838 7.212 2.159 1.00 0.00 C ATOM 435 C ARG A 29 -6.574 6.578 3.336 1.00 0.00 C ATOM 436 O ARG A 29 -6.040 6.508 4.440 1.00 0.00 O ATOM 437 CB ARG A 29 -6.564 8.473 1.632 1.00 0.00 C ATOM 438 CG ARG A 29 -5.796 9.176 0.491 1.00 0.00 C ATOM 439 CD ARG A 29 -5.264 10.561 0.863 1.00 0.00 C ATOM 440 NE ARG A 29 -6.244 11.630 0.633 1.00 0.00 N ATOM 441 CZ ARG A 29 -5.964 12.941 0.598 1.00 0.00 C ATOM 442 NH1 ARG A 29 -4.736 13.397 0.830 1.00 0.00 N ATOM 443 NH2 ARG A 29 -6.926 13.800 0.308 1.00 0.00 N ATOM 0 H ARG A 29 -6.206 6.562 0.227 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.852 7.506 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.556 8.193 1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.706 9.175 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.960 8.546 0.187 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.454 9.270 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.972 10.562 1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.365 10.768 0.282 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.215 11.353 0.488 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.981 12.744 1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.550 14.399 0.797 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.869 13.463 0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.725 14.800 0.278 1.00 0.00 H new ATOM 457 N THR A 30 -7.784 6.077 3.098 1.00 0.00 N ATOM 458 CA THR A 30 -8.612 5.416 4.099 1.00 0.00 C ATOM 459 C THR A 30 -9.277 4.203 3.457 1.00 0.00 C ATOM 460 O THR A 30 -9.124 3.953 2.256 1.00 0.00 O ATOM 461 CB THR A 30 -9.658 6.394 4.675 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.555 6.843 3.676 1.00 0.00 O ATOM 463 CG2 THR A 30 -9.026 7.621 5.319 1.00 0.00 C ATOM 0 H THR A 30 -8.225 6.122 2.180 1.00 0.00 H new ATOM 0 HA THR A 30 -7.993 5.085 4.933 1.00 0.00 H new ATOM 0 HB THR A 30 -10.191 5.826 5.437 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.417 7.066 4.086 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.809 8.273 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.376 7.309 6.137 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.440 8.161 4.576 1.00 0.00 H new ATOM 471 N ASN A 31 -10.107 3.490 4.216 1.00 0.00 N ATOM 472 CA ASN A 31 -10.993 2.497 3.634 1.00 0.00 C ATOM 473 C ASN A 31 -11.952 3.117 2.608 1.00 0.00 C ATOM 474 O ASN A 31 -12.300 2.461 1.628 1.00 0.00 O ATOM 475 CB ASN A 31 -11.783 1.831 4.754 1.00 0.00 C ATOM 476 CG ASN A 31 -12.669 0.705 4.245 1.00 0.00 C ATOM 477 OD1 ASN A 31 -13.831 0.602 4.620 1.00 0.00 O ATOM 478 ND2 ASN A 31 -12.146 -0.203 3.438 1.00 0.00 N ATOM 0 H ASN A 31 -10.181 3.584 5.229 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.389 1.760 3.105 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.091 1.438 5.499 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.400 2.578 5.254 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.710 -0.993 3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.178 -0.113 3.128 1.00 0.00 H new ATOM 485 N ASP A 32 -12.320 4.396 2.773 1.00 0.00 N ATOM 486 CA ASP A 32 -13.161 5.132 1.818 1.00 0.00 C ATOM 487 C ASP A 32 -12.483 5.234 0.448 1.00 0.00 C ATOM 488 O ASP A 32 -13.167 5.448 -0.556 1.00 0.00 O ATOM 489 CB ASP A 32 -13.463 6.579 2.263 1.00 0.00 C ATOM 490 CG ASP A 32 -13.935 6.745 3.701 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.143 6.540 3.953 1.00 0.00 O ATOM 492 OD2 ASP A 32 -13.096 7.093 4.570 1.00 0.00 O ATOM 0 H ASP A 32 -12.040 4.953 3.580 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.089 4.562 1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.562 7.177 2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.224 6.991 1.601 1.00 0.00 H new ATOM 497 N ASP A 33 -11.150 5.122 0.419 1.00 0.00 N ATOM 498 CA ASP A 33 -10.306 5.147 -0.771 1.00 0.00 C ATOM 499 C ASP A 33 -10.242 3.751 -1.388 1.00 0.00 C ATOM 500 O ASP A 33 -10.486 3.590 -2.576 1.00 0.00 O ATOM 501 CB ASP A 33 -8.892 5.621 -0.404 1.00 0.00 C ATOM 502 CG ASP A 33 -8.063 6.066 -1.602 1.00 0.00 C ATOM 503 OD1 ASP A 33 -8.432 5.806 -2.763 1.00 0.00 O ATOM 504 OD2 ASP A 33 -7.018 6.691 -1.349 1.00 0.00 O ATOM 0 H ASP A 33 -10.606 5.005 1.274 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.734 5.840 -1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.968 6.449 0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.369 4.813 0.108 1.00 0.00 H new ATOM 509 N TRP A 34 -10.013 2.702 -0.587 1.00 0.00 N ATOM 510 CA TRP A 34 -10.029 1.319 -1.082 1.00 0.00 C ATOM 511 C TRP A 34 -11.366 0.998 -1.781 1.00 0.00 C ATOM 512 O TRP A 34 -11.406 0.338 -2.822 1.00 0.00 O ATOM 513 CB TRP A 34 -9.733 0.356 0.079 1.00 0.00 C ATOM 514 CG TRP A 34 -9.819 -1.093 -0.274 1.00 0.00 C ATOM 515 CD1 TRP A 34 -10.952 -1.826 -0.249 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.785 -1.983 -0.795 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.702 -3.082 -0.755 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.395 -3.216 -1.165 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.401 -1.866 -1.028 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.685 -4.245 -1.804 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.666 -2.906 -1.623 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.305 -4.094 -2.022 1.00 0.00 C ATOM 0 H TRP A 34 -9.814 2.785 0.410 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.249 1.193 -1.833 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.733 0.564 0.460 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.432 0.560 0.890 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.909 -1.480 0.113 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.400 -3.823 -0.818 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.893 -0.957 -0.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.194 -5.142 -2.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.603 -2.792 -1.775 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.739 -4.884 -2.493 1.00 0.00 H new ATOM 533 N GLN A 35 -12.471 1.509 -1.235 1.00 0.00 N ATOM 534 CA GLN A 35 -13.800 1.439 -1.834 1.00 0.00 C ATOM 535 C GLN A 35 -13.853 2.152 -3.189 1.00 0.00 C ATOM 536 O GLN A 35 -14.479 1.645 -4.121 1.00 0.00 O ATOM 537 CB GLN A 35 -14.791 2.090 -0.860 1.00 0.00 C ATOM 538 CG GLN A 35 -14.981 1.306 0.448 1.00 0.00 C ATOM 539 CD GLN A 35 -16.209 0.406 0.418 1.00 0.00 C ATOM 540 OE1 GLN A 35 -16.120 -0.772 0.083 1.00 0.00 O ATOM 541 NE2 GLN A 35 -17.384 0.923 0.736 1.00 0.00 N ATOM 0 H GLN A 35 -12.463 1.996 -0.339 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.056 0.395 -2.013 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.445 3.096 -0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.757 2.193 -1.354 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.095 0.699 0.636 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.069 2.007 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.452 1.902 1.014 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.222 0.343 0.704 1.00 0.00 H new ATOM 550 N ARG A 36 -13.248 3.336 -3.312 1.00 0.00 N ATOM 551 CA ARG A 36 -13.171 4.069 -4.571 1.00 0.00 C ATOM 552 C ARG A 36 -12.328 3.319 -5.586 1.00 0.00 C ATOM 553 O ARG A 36 -12.742 3.223 -6.735 1.00 0.00 O ATOM 554 CB ARG A 36 -12.590 5.465 -4.321 1.00 0.00 C ATOM 555 CG ARG A 36 -13.672 6.359 -3.723 1.00 0.00 C ATOM 556 CD ARG A 36 -13.066 7.683 -3.265 1.00 0.00 C ATOM 557 NE ARG A 36 -14.107 8.689 -3.039 1.00 0.00 N ATOM 558 CZ ARG A 36 -14.919 8.799 -1.988 1.00 0.00 C ATOM 559 NH1 ARG A 36 -14.757 8.030 -0.916 1.00 0.00 N ATOM 560 NH2 ARG A 36 -15.914 9.676 -2.017 1.00 0.00 N ATOM 0 H ARG A 36 -12.795 3.814 -2.533 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.177 4.167 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.738 5.402 -3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.224 5.892 -5.255 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.451 6.544 -4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.145 5.856 -2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.499 7.529 -2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.364 8.044 -4.016 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.224 9.388 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.003 7.344 -0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.387 8.126 -0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.054 10.261 -2.841 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.539 9.765 -1.216 1.00 0.00 H new ATOM 574 N PHE A 37 -11.186 2.777 -5.175 1.00 0.00 N ATOM 575 CA PHE A 37 -10.272 2.053 -6.038 1.00 0.00 C ATOM 576 C PHE A 37 -10.982 0.894 -6.735 1.00 0.00 C ATOM 577 O PHE A 37 -10.938 0.780 -7.963 1.00 0.00 O ATOM 578 CB PHE A 37 -9.073 1.580 -5.207 1.00 0.00 C ATOM 579 CG PHE A 37 -8.158 0.663 -5.981 1.00 0.00 C ATOM 580 CD1 PHE A 37 -7.441 1.167 -7.081 1.00 0.00 C ATOM 581 CD2 PHE A 37 -8.075 -0.703 -5.646 1.00 0.00 C ATOM 582 CE1 PHE A 37 -6.644 0.309 -7.849 1.00 0.00 C ATOM 583 CE2 PHE A 37 -7.287 -1.565 -6.426 1.00 0.00 C ATOM 584 CZ PHE A 37 -6.585 -1.052 -7.531 1.00 0.00 C ATOM 0 H PHE A 37 -10.867 2.833 -4.208 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.909 2.712 -6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.508 2.447 -4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.433 1.063 -4.318 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.505 2.215 -7.333 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -8.615 -1.086 -4.793 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.078 0.696 -8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.221 -2.614 -6.179 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.993 -1.717 -8.142 1.00 0.00 H new ATOM 594 N CYS A 38 -11.670 0.036 -5.974 1.00 0.00 N ATOM 595 CA CYS A 38 -12.366 -1.085 -6.590 1.00 0.00 C ATOM 596 C CYS A 38 -13.503 -0.592 -7.498 1.00 0.00 C ATOM 597 O CYS A 38 -13.766 -1.224 -8.517 1.00 0.00 O ATOM 598 CB CYS A 38 -12.861 -2.068 -5.523 1.00 0.00 C ATOM 599 SG CYS A 38 -12.925 -3.748 -6.218 1.00 0.00 S ATOM 0 H CYS A 38 -11.756 0.097 -4.959 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.663 -1.625 -7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.197 -2.047 -4.659 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.849 -1.771 -5.172 1.00 0.00 H new ATOM 0 HG CYS A 38 -13.343 -4.578 -5.309 1.00 0.00 H new ATOM 605 N ALA A 39 -14.146 0.534 -7.163 1.00 0.00 N ATOM 606 CA ALA A 39 -15.247 1.091 -7.936 1.00 0.00 C ATOM 607 C ALA A 39 -14.790 1.817 -9.207 1.00 0.00 C ATOM 608 O ALA A 39 -15.624 2.059 -10.079 1.00 0.00 O ATOM 609 CB ALA A 39 -16.048 2.050 -7.047 1.00 0.00 C ATOM 0 H ALA A 39 -13.909 1.084 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.867 0.257 -8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.875 2.471 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.441 1.507 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.398 2.854 -6.702 1.00 0.00 H new ATOM 615 N ASP A 40 -13.511 2.180 -9.350 1.00 0.00 N ATOM 616 CA ASP A 40 -13.031 3.090 -10.404 1.00 0.00 C ATOM 617 C ASP A 40 -11.811 2.511 -11.136 1.00 0.00 C ATOM 618 O ASP A 40 -10.997 3.235 -11.714 1.00 0.00 O ATOM 619 CB ASP A 40 -12.789 4.497 -9.816 1.00 0.00 C ATOM 620 CG ASP A 40 -13.300 5.649 -10.697 1.00 0.00 C ATOM 621 OD1 ASP A 40 -14.515 5.630 -11.032 1.00 0.00 O ATOM 622 OD2 ASP A 40 -12.567 6.642 -10.900 1.00 0.00 O ATOM 0 H ASP A 40 -12.770 1.849 -8.733 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.802 3.193 -11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.273 4.559 -8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.720 4.629 -9.650 1.00 0.00 H new ATOM 627 N SER A 41 -11.639 1.186 -11.074 1.00 0.00 N ATOM 628 CA SER A 41 -10.601 0.419 -11.762 1.00 0.00 C ATOM 629 C SER A 41 -10.934 -1.074 -11.768 1.00 0.00 C ATOM 630 O SER A 41 -10.811 -1.728 -12.807 1.00 0.00 O ATOM 631 CB SER A 41 -9.246 0.645 -11.081 1.00 0.00 C ATOM 632 OG SER A 41 -8.665 1.852 -11.537 1.00 0.00 O ATOM 0 H SER A 41 -12.251 0.593 -10.514 1.00 0.00 H new ATOM 0 HA SER A 41 -10.551 0.764 -12.795 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.376 0.681 -9.999 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.580 -0.191 -11.294 1.00 0.00 H new ATOM 0 HG SER A 41 -9.372 2.473 -11.810 1.00 0.00 H new ATOM 638 N LYS A 42 -11.350 -1.622 -10.619 1.00 0.00 N ATOM 639 CA LYS A 42 -11.725 -3.030 -10.455 1.00 0.00 C ATOM 640 C LYS A 42 -10.673 -3.996 -11.033 1.00 0.00 C ATOM 641 O LYS A 42 -11.009 -4.996 -11.671 1.00 0.00 O ATOM 642 CB LYS A 42 -13.154 -3.226 -11.016 1.00 0.00 C ATOM 643 CG LYS A 42 -14.013 -4.181 -10.177 1.00 0.00 C ATOM 644 CD LYS A 42 -13.672 -5.664 -10.347 1.00 0.00 C ATOM 645 CE LYS A 42 -14.615 -6.525 -9.509 1.00 0.00 C ATOM 646 NZ LYS A 42 -14.337 -6.381 -8.067 1.00 0.00 N ATOM 0 H LYS A 42 -11.437 -1.084 -9.757 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.744 -3.288 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.650 -2.257 -11.072 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.087 -3.609 -12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.906 -3.916 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.060 -4.031 -10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.750 -5.944 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.640 -5.844 -10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.647 -6.240 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.510 -7.570 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.921 -7.262 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.671 -5.596 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.224 -6.183 -7.561 1.00 0.00 H new ATOM 660 N HIS A 43 -9.386 -3.698 -10.834 1.00 0.00 N ATOM 661 CA HIS A 43 -8.312 -4.581 -11.274 1.00 0.00 C ATOM 662 C HIS A 43 -8.380 -5.948 -10.571 1.00 0.00 C ATOM 663 O HIS A 43 -9.127 -6.141 -9.602 1.00 0.00 O ATOM 664 CB HIS A 43 -6.946 -3.885 -11.117 1.00 0.00 C ATOM 665 CG HIS A 43 -6.283 -3.973 -9.763 1.00 0.00 C ATOM 666 ND1 HIS A 43 -4.933 -3.824 -9.536 1.00 0.00 N ATOM 667 CD2 HIS A 43 -6.878 -4.215 -8.551 1.00 0.00 C ATOM 668 CE1 HIS A 43 -4.727 -3.994 -8.221 1.00 0.00 C ATOM 669 NE2 HIS A 43 -5.879 -4.224 -7.575 1.00 0.00 N ATOM 0 H HIS A 43 -9.066 -2.848 -10.369 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.442 -4.789 -12.336 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.264 -4.306 -11.856 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -7.072 -2.831 -11.364 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.221 -3.622 -10.238 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -7.933 -4.371 -8.381 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.759 -3.951 -7.745 1.00 0.00 H new ATOM 677 N LEU A 44 -7.566 -6.886 -11.054 1.00 0.00 N ATOM 678 CA LEU A 44 -7.303 -8.158 -10.423 1.00 0.00 C ATOM 679 C LEU A 44 -6.561 -8.009 -9.093 1.00 0.00 C ATOM 680 O LEU A 44 -5.812 -7.060 -8.893 1.00 0.00 O ATOM 681 CB LEU A 44 -6.765 -9.172 -11.451 1.00 0.00 C ATOM 682 CG LEU A 44 -5.447 -8.949 -12.180 1.00 0.00 C ATOM 683 CD1 LEU A 44 -5.706 -8.123 -13.414 1.00 0.00 C ATOM 684 CD2 LEU A 44 -4.472 -8.291 -11.243 1.00 0.00 C ATOM 0 H LEU A 44 -7.057 -6.766 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.234 -8.615 -10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.684 -10.130 -10.937 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.534 -9.285 -12.216 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.009 -9.895 -12.499 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.768 -7.957 -13.944 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.403 -8.651 -14.065 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.135 -7.163 -13.126 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.525 -8.128 -11.758 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.875 -7.334 -10.912 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.308 -8.934 -10.378 1.00 0.00 H new ATOM 696 N LEU A 45 -6.736 -8.972 -8.194 1.00 0.00 N ATOM 697 CA LEU A 45 -5.999 -9.099 -6.944 1.00 0.00 C ATOM 698 C LEU A 45 -5.666 -10.582 -6.801 1.00 0.00 C ATOM 699 O LEU A 45 -6.543 -11.436 -6.997 1.00 0.00 O ATOM 700 CB LEU A 45 -6.847 -8.589 -5.764 1.00 0.00 C ATOM 701 CG LEU A 45 -6.911 -7.052 -5.618 1.00 0.00 C ATOM 702 CD1 LEU A 45 -8.014 -6.683 -4.617 1.00 0.00 C ATOM 703 CD2 LEU A 45 -5.577 -6.479 -5.119 1.00 0.00 C ATOM 0 H LEU A 45 -7.423 -9.715 -8.323 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.089 -8.499 -6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.862 -8.970 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.447 -9.010 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.124 -6.628 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.062 -5.599 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.973 -7.055 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.792 -7.132 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.658 -5.396 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.338 -6.908 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.787 -6.726 -5.828 1.00 0.00 H new ATOM 715 N GLN A 46 -4.402 -10.900 -6.527 1.00 0.00 N ATOM 716 CA GLN A 46 -3.869 -12.253 -6.595 1.00 0.00 C ATOM 717 C GLN A 46 -2.986 -12.570 -5.391 1.00 0.00 C ATOM 718 O GLN A 46 -2.579 -11.674 -4.643 1.00 0.00 O ATOM 719 CB GLN A 46 -3.162 -12.425 -7.939 1.00 0.00 C ATOM 720 CG GLN A 46 -1.715 -11.929 -7.973 1.00 0.00 C ATOM 721 CD GLN A 46 -1.404 -11.266 -9.308 1.00 0.00 C ATOM 722 OE1 GLN A 46 -0.747 -11.826 -10.186 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.928 -10.070 -9.505 1.00 0.00 N ATOM 0 H GLN A 46 -3.708 -10.207 -6.246 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.677 -12.982 -6.542 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.175 -13.481 -8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.731 -11.895 -8.703 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.549 -11.220 -7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.035 -12.765 -7.809 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.469 -9.622 -8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.792 -9.594 -10.397 1.00 0.00 H new ATOM 732 N TYR A 47 -2.727 -13.859 -5.190 1.00 0.00 N ATOM 733 CA TYR A 47 -2.050 -14.368 -4.011 1.00 0.00 C ATOM 734 C TYR A 47 -0.609 -13.893 -4.095 1.00 0.00 C ATOM 735 O TYR A 47 0.117 -14.288 -5.013 1.00 0.00 O ATOM 736 CB TYR A 47 -2.206 -15.897 -3.890 1.00 0.00 C ATOM 737 CG TYR A 47 -3.595 -16.407 -4.239 1.00 0.00 C ATOM 738 CD1 TYR A 47 -4.728 -15.697 -3.803 1.00 0.00 C ATOM 739 CD2 TYR A 47 -3.761 -17.562 -5.028 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.012 -16.085 -4.205 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.049 -17.969 -5.425 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.179 -17.213 -5.034 1.00 0.00 C ATOM 743 OH TYR A 47 -7.432 -17.577 -5.397 1.00 0.00 O ATOM 0 H TYR A 47 -2.988 -14.587 -5.855 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.494 -13.985 -3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.479 -16.379 -4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.966 -16.197 -2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.607 -14.844 -3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.898 -18.137 -5.329 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.874 -15.521 -3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.174 -18.857 -6.027 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.389 -18.371 -5.969 1.00 0.00 H new ATOM 753 N GLY A 48 -0.243 -12.962 -3.216 1.00 0.00 N ATOM 754 CA GLY A 48 1.086 -12.366 -3.178 1.00 0.00 C ATOM 755 C GLY A 48 1.125 -10.867 -3.472 1.00 0.00 C ATOM 756 O GLY A 48 2.201 -10.289 -3.342 1.00 0.00 O ATOM 0 H GLY A 48 -0.872 -12.597 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.519 -12.540 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.720 -12.880 -3.900 1.00 0.00 H new ATOM 760 N ASP A 49 0.013 -10.211 -3.831 1.00 0.00 N ATOM 761 CA ASP A 49 -0.012 -8.822 -4.340 1.00 0.00 C ATOM 762 C ASP A 49 0.341 -7.715 -3.319 1.00 0.00 C ATOM 763 O ASP A 49 0.391 -6.542 -3.680 1.00 0.00 O ATOM 764 CB ASP A 49 -1.392 -8.536 -4.962 1.00 0.00 C ATOM 765 CG ASP A 49 -1.436 -8.632 -6.491 1.00 0.00 C ATOM 766 OD1 ASP A 49 -0.407 -8.481 -7.189 1.00 0.00 O ATOM 767 OD2 ASP A 49 -2.554 -8.833 -7.015 1.00 0.00 O ATOM 0 H ASP A 49 -0.914 -10.633 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 49 0.788 -8.776 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.115 -9.237 -4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.710 -7.537 -4.665 1.00 0.00 H new ATOM 772 N LYS A 50 0.584 -8.091 -2.061 1.00 0.00 N ATOM 773 CA LYS A 50 1.160 -7.364 -0.919 1.00 0.00 C ATOM 774 C LYS A 50 0.534 -6.001 -0.589 1.00 0.00 C ATOM 775 O LYS A 50 0.644 -5.022 -1.336 1.00 0.00 O ATOM 776 CB LYS A 50 2.666 -7.154 -1.124 1.00 0.00 C ATOM 777 CG LYS A 50 3.472 -7.108 0.190 1.00 0.00 C ATOM 778 CD LYS A 50 4.875 -6.536 -0.070 1.00 0.00 C ATOM 779 CE LYS A 50 5.779 -7.533 -0.811 1.00 0.00 C ATOM 780 NZ LYS A 50 6.763 -6.856 -1.681 1.00 0.00 N ATOM 0 H LYS A 50 0.350 -9.043 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 50 0.937 -8.011 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.054 -7.958 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.823 -6.223 -1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.951 -6.494 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.552 -8.110 0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.790 -5.621 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.337 -6.265 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.305 -8.153 -0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.163 -8.201 -1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.350 -7.568 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.263 -6.285 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.369 -6.238 -1.104 1.00 0.00 H new ATOM 794 N LEU A 51 -0.014 -5.883 0.616 1.00 0.00 N ATOM 795 CA LEU A 51 -0.372 -4.606 1.216 1.00 0.00 C ATOM 796 C LEU A 51 0.636 -4.309 2.312 1.00 0.00 C ATOM 797 O LEU A 51 1.119 -5.215 2.992 1.00 0.00 O ATOM 798 CB LEU A 51 -1.796 -4.646 1.814 1.00 0.00 C ATOM 799 CG LEU A 51 -2.896 -4.243 0.814 1.00 0.00 C ATOM 800 CD1 LEU A 51 -4.275 -4.695 1.305 1.00 0.00 C ATOM 801 CD2 LEU A 51 -2.949 -2.724 0.612 1.00 0.00 C ATOM 0 H LEU A 51 -0.224 -6.685 1.211 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.359 -3.829 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.000 -5.653 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.838 -3.980 2.676 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.648 -4.731 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.034 -4.398 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.284 -5.779 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.489 -4.229 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.737 -2.479 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.157 -2.237 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.991 -2.374 0.227 1.00 0.00 H new ATOM 813 N VAL A 52 0.882 -3.026 2.523 1.00 0.00 N ATOM 814 CA VAL A 52 1.594 -2.469 3.656 1.00 0.00 C ATOM 815 C VAL A 52 0.698 -1.328 4.151 1.00 0.00 C ATOM 816 O VAL A 52 -0.047 -0.721 3.379 1.00 0.00 O ATOM 817 CB VAL A 52 3.020 -2.075 3.203 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.832 -1.248 4.202 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.860 -3.333 2.958 1.00 0.00 C ATOM 0 H VAL A 52 0.571 -2.307 1.870 1.00 0.00 H new ATOM 0 HA VAL A 52 1.765 -3.151 4.489 1.00 0.00 H new ATOM 0 HB VAL A 52 2.842 -1.470 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.813 -1.029 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.310 -0.314 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.952 -1.811 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.862 -3.045 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.924 -3.913 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.392 -3.937 2.181 1.00 0.00 H new ATOM 829 N ASP A 53 0.730 -1.094 5.452 1.00 0.00 N ATOM 830 CA ASP A 53 -0.099 -0.263 6.296 1.00 0.00 C ATOM 831 C ASP A 53 0.769 0.679 7.133 1.00 0.00 C ATOM 832 O ASP A 53 2.005 0.612 7.116 1.00 0.00 O ATOM 833 CB ASP A 53 -0.966 -1.172 7.192 1.00 0.00 C ATOM 834 CG ASP A 53 -0.335 -1.682 8.491 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.899 -1.875 8.548 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.121 -1.916 9.436 1.00 0.00 O ATOM 0 H ASP A 53 1.445 -1.553 6.017 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.753 0.356 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.874 -0.626 7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.270 -2.037 6.602 1.00 0.00 H new ATOM 841 N SER A 54 0.104 1.558 7.876 1.00 0.00 N ATOM 842 CA SER A 54 0.750 2.556 8.731 1.00 0.00 C ATOM 843 C SER A 54 1.667 1.929 9.795 1.00 0.00 C ATOM 844 O SER A 54 2.700 2.495 10.152 1.00 0.00 O ATOM 845 CB SER A 54 -0.333 3.432 9.367 1.00 0.00 C ATOM 846 OG SER A 54 -0.977 2.846 10.476 1.00 0.00 O ATOM 0 H SER A 54 -0.915 1.600 7.904 1.00 0.00 H new ATOM 0 HA SER A 54 1.404 3.169 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.116 4.375 9.679 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.081 3.670 8.611 1.00 0.00 H new ATOM 0 HG SER A 54 -1.652 3.464 10.827 1.00 0.00 H new ATOM 852 N ASN A 55 1.273 0.763 10.314 1.00 0.00 N ATOM 853 CA ASN A 55 1.950 0.035 11.388 1.00 0.00 C ATOM 854 C ASN A 55 3.120 -0.827 10.899 1.00 0.00 C ATOM 855 O ASN A 55 3.767 -1.456 11.740 1.00 0.00 O ATOM 856 CB ASN A 55 0.948 -0.848 12.161 1.00 0.00 C ATOM 857 CG ASN A 55 0.133 -0.110 13.215 1.00 0.00 C ATOM 858 OD1 ASN A 55 0.213 1.105 13.400 1.00 0.00 O ATOM 859 ND2 ASN A 55 -0.678 -0.847 13.959 1.00 0.00 N ATOM 0 H ASN A 55 0.438 0.281 9.982 1.00 0.00 H new ATOM 0 HA ASN A 55 2.367 0.796 12.047 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.264 -1.308 11.448 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.495 -1.657 12.645 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.240 -0.409 14.689 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.741 -1.853 13.802 1.00 0.00 H new ATOM 866 N PHE A 56 3.426 -0.865 9.594 1.00 0.00 N ATOM 867 CA PHE A 56 4.490 -1.691 9.004 1.00 0.00 C ATOM 868 C PHE A 56 4.213 -3.199 9.210 1.00 0.00 C ATOM 869 O PHE A 56 5.129 -4.011 9.144 1.00 0.00 O ATOM 870 CB PHE A 56 5.895 -1.242 9.477 1.00 0.00 C ATOM 871 CG PHE A 56 6.355 0.125 8.992 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.669 1.289 9.385 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.475 0.245 8.143 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.058 2.548 8.911 1.00 0.00 C ATOM 875 CE2 PHE A 56 7.881 1.520 7.689 1.00 0.00 C ATOM 876 CZ PHE A 56 7.170 2.680 8.067 1.00 0.00 C ATOM 0 H PHE A 56 2.927 -0.307 8.901 1.00 0.00 H new ATOM 0 HA PHE A 56 4.484 -1.533 7.926 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.907 -1.242 10.567 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.622 -1.985 9.150 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.831 1.210 10.062 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.021 -0.636 7.840 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.497 3.425 9.198 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.744 1.608 7.046 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.478 3.653 7.712 1.00 0.00 H new ATOM 886 N HIS A 57 2.964 -3.621 9.441 1.00 0.00 N ATOM 887 CA HIS A 57 2.516 -4.999 9.247 1.00 0.00 C ATOM 888 C HIS A 57 2.449 -5.325 7.751 1.00 0.00 C ATOM 889 O HIS A 57 1.528 -4.863 7.074 1.00 0.00 O ATOM 890 CB HIS A 57 1.133 -5.169 9.870 1.00 0.00 C ATOM 891 CG HIS A 57 1.088 -5.016 11.361 1.00 0.00 C ATOM 892 ND1 HIS A 57 0.050 -4.455 12.070 1.00 0.00 N ATOM 893 CD2 HIS A 57 2.024 -5.471 12.249 1.00 0.00 C ATOM 894 CE1 HIS A 57 0.336 -4.603 13.375 1.00 0.00 C ATOM 895 NE2 HIS A 57 1.512 -5.239 13.530 1.00 0.00 N ATOM 0 H HIS A 57 2.226 -3.001 9.774 1.00 0.00 H new ATOM 0 HA HIS A 57 3.222 -5.678 9.725 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.458 -4.439 9.424 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.752 -6.156 9.609 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.975 -5.922 12.008 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.290 -4.260 14.185 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.947 -5.502 14.414 1.00 0.00 H new ATOM 903 N CYS A 58 3.398 -6.073 7.186 1.00 0.00 N ATOM 904 CA CYS A 58 3.229 -6.541 5.813 1.00 0.00 C ATOM 905 C CYS A 58 2.017 -7.481 5.787 1.00 0.00 C ATOM 906 O CYS A 58 1.786 -8.235 6.737 1.00 0.00 O ATOM 907 CB CYS A 58 4.505 -7.246 5.320 1.00 0.00 C ATOM 908 SG CYS A 58 4.966 -6.686 3.662 1.00 0.00 S ATOM 0 H CYS A 58 4.265 -6.360 7.641 1.00 0.00 H new ATOM 0 HA CYS A 58 3.056 -5.702 5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.323 -7.049 6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.347 -8.324 5.311 1.00 0.00 H new ATOM 0 HG CYS A 58 6.047 -7.300 3.281 1.00 0.00 H new ATOM 914 N PHE A 59 1.269 -7.489 4.687 1.00 0.00 N ATOM 915 CA PHE A 59 0.159 -8.398 4.449 1.00 0.00 C ATOM 916 C PHE A 59 0.289 -8.941 3.039 1.00 0.00 C ATOM 917 O PHE A 59 0.734 -8.233 2.141 1.00 0.00 O ATOM 918 CB PHE A 59 -1.186 -7.675 4.596 1.00 0.00 C ATOM 919 CG PHE A 59 -1.464 -7.150 5.983 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.843 -8.038 7.004 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.286 -5.786 6.269 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.961 -7.578 8.326 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.437 -5.323 7.585 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.736 -6.221 8.622 1.00 0.00 C ATOM 0 H PHE A 59 1.426 -6.842 3.915 1.00 0.00 H new ATOM 0 HA PHE A 59 0.189 -9.205 5.181 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.216 -6.842 3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.985 -8.360 4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.043 -9.074 6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.034 -5.096 5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.225 -8.266 9.116 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.323 -4.271 7.801 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.793 -5.872 9.642 1.00 0.00 H new ATOM 934 N VAL A 60 -0.170 -10.163 2.820 1.00 0.00 N ATOM 935 CA VAL A 60 -0.235 -10.851 1.545 1.00 0.00 C ATOM 936 C VAL A 60 -1.597 -11.546 1.483 1.00 0.00 C ATOM 937 O VAL A 60 -2.095 -12.046 2.487 1.00 0.00 O ATOM 938 CB VAL A 60 0.957 -11.825 1.439 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.750 -12.822 0.298 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.269 -11.058 1.198 1.00 0.00 C ATOM 0 H VAL A 60 -0.531 -10.737 3.582 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.155 -10.175 0.693 1.00 0.00 H new ATOM 0 HB VAL A 60 1.020 -12.366 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.604 -13.497 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.157 -13.399 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.655 -12.282 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.096 -11.765 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.194 -10.492 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.448 -10.373 2.027 1.00 0.00 H new ATOM 950 N LEU A 61 -2.220 -11.517 0.309 1.00 0.00 N ATOM 951 CA LEU A 61 -3.452 -12.217 -0.016 1.00 0.00 C ATOM 952 C LEU A 61 -3.134 -13.709 -0.121 1.00 0.00 C ATOM 953 O LEU A 61 -2.118 -14.051 -0.736 1.00 0.00 O ATOM 954 CB LEU A 61 -3.964 -11.698 -1.373 1.00 0.00 C ATOM 955 CG LEU A 61 -5.357 -12.224 -1.743 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.467 -11.640 -0.866 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.634 -11.872 -3.205 1.00 0.00 C ATOM 0 H LEU A 61 -1.859 -10.978 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.212 -12.052 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.990 -10.609 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.258 -11.984 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.359 -13.302 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.429 -12.049 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.281 -11.899 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.483 -10.555 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.621 -12.238 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.599 -10.790 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.880 -12.336 -3.840 1.00 0.00 H new ATOM 969 N GLU A 62 -4.002 -14.574 0.399 1.00 0.00 N ATOM 970 CA GLU A 62 -3.848 -16.028 0.349 1.00 0.00 C ATOM 971 C GLU A 62 -4.883 -16.639 -0.598 1.00 0.00 C ATOM 972 O GLU A 62 -5.853 -15.968 -0.965 1.00 0.00 O ATOM 973 CB GLU A 62 -3.975 -16.654 1.726 1.00 0.00 C ATOM 974 CG GLU A 62 -2.904 -16.091 2.665 1.00 0.00 C ATOM 975 CD GLU A 62 -1.942 -17.125 3.261 1.00 0.00 C ATOM 976 OE1 GLU A 62 -2.396 -18.198 3.714 1.00 0.00 O ATOM 977 OE2 GLU A 62 -0.717 -16.851 3.319 1.00 0.00 O ATOM 0 H GLU A 62 -4.852 -14.277 0.878 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.846 -16.239 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.966 -16.456 2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.871 -17.737 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.321 -15.349 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.400 -15.568 3.483 1.00 0.00 H new ATOM 984 N GLU A 63 -4.734 -17.925 -0.930 1.00 0.00 N ATOM 985 CA GLU A 63 -5.657 -18.654 -1.793 1.00 0.00 C ATOM 986 C GLU A 63 -7.061 -18.672 -1.185 1.00 0.00 C ATOM 987 O GLU A 63 -8.050 -18.511 -1.899 1.00 0.00 O ATOM 988 CB GLU A 63 -5.191 -20.090 -2.095 1.00 0.00 C ATOM 989 CG GLU A 63 -3.704 -20.283 -2.449 1.00 0.00 C ATOM 990 CD GLU A 63 -2.753 -20.287 -1.245 1.00 0.00 C ATOM 991 OE1 GLU A 63 -3.213 -20.229 -0.081 1.00 0.00 O ATOM 992 OE2 GLU A 63 -1.521 -20.319 -1.451 1.00 0.00 O ATOM 0 H GLU A 63 -3.955 -18.494 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.678 -18.121 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.415 -20.709 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.789 -20.473 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.592 -21.225 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.401 -19.489 -3.131 1.00 0.00 H new ATOM 999 N ASP A 64 -7.151 -18.797 0.143 1.00 0.00 N ATOM 1000 CA ASP A 64 -8.402 -18.763 0.907 1.00 0.00 C ATOM 1001 C ASP A 64 -9.007 -17.357 1.017 1.00 0.00 C ATOM 1002 O ASP A 64 -9.953 -17.133 1.775 1.00 0.00 O ATOM 1003 CB ASP A 64 -8.179 -19.381 2.290 1.00 0.00 C ATOM 1004 CG ASP A 64 -9.481 -19.812 2.976 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -10.415 -20.258 2.269 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -9.541 -19.788 4.232 1.00 0.00 O ATOM 0 H ASP A 64 -6.330 -18.929 0.734 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.134 -19.355 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.523 -20.246 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.663 -18.660 2.924 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.472 -16.402 0.247 1.00 0.00 N ATOM 1012 CA ALA A 65 -9.031 -15.096 -0.073 1.00 0.00 C ATOM 1013 C ALA A 65 -8.972 -14.084 1.069 1.00 0.00 C ATOM 1014 O ALA A 65 -9.554 -13.002 0.937 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.457 -15.250 -0.604 1.00 0.00 C ATOM 0 H ALA A 65 -7.566 -16.540 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.392 -14.677 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.865 -14.267 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.446 -15.864 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.078 -15.728 0.154 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.295 -14.424 2.164 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.984 -13.517 3.255 1.00 0.00 C ATOM 1023 C HIS A 66 -6.618 -12.868 3.032 1.00 0.00 C ATOM 1024 O HIS A 66 -5.841 -13.317 2.188 1.00 0.00 O ATOM 1025 CB HIS A 66 -8.117 -14.265 4.587 1.00 0.00 C ATOM 1026 CG HIS A 66 -7.287 -15.518 4.710 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -5.952 -15.634 4.445 1.00 0.00 N flip ATOM 1028 CD2 HIS A 66 -7.731 -16.743 5.154 1.00 0.00 C flip ATOM 1029 CE1 HIS A 66 -5.568 -16.933 4.800 1.00 0.00 C flip ATOM 1030 NE2 HIS A 66 -6.678 -17.571 5.209 1.00 0.00 N flip ATOM 0 H HIS A 66 -7.939 -15.368 2.316 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.695 -12.692 3.289 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.842 -13.586 5.394 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.165 -14.527 4.734 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.749 -16.993 5.413 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.570 -17.344 4.754 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.714 -18.543 5.516 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.300 -11.839 3.817 1.00 0.00 N ATOM 1039 CA TRP A 67 -5.008 -11.167 3.802 1.00 0.00 C ATOM 1040 C TRP A 67 -4.233 -11.600 5.039 1.00 0.00 C ATOM 1041 O TRP A 67 -4.485 -11.081 6.125 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.212 -9.651 3.755 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.495 -9.103 2.393 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.707 -8.979 1.811 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.536 -8.616 1.413 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.552 -8.429 0.553 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.238 -8.151 0.267 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.134 -8.528 1.381 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.589 -7.568 -0.833 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.471 -7.968 0.280 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.191 -7.453 -0.813 1.00 0.00 C ATOM 0 H TRP A 67 -6.951 -11.443 4.495 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.436 -11.441 2.916 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -6.037 -9.388 4.417 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.320 -9.165 4.150 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.648 -9.264 2.258 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.324 -8.250 -0.089 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.559 -8.897 2.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.157 -7.214 -1.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.392 -7.932 0.271 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.672 -6.973 -1.630 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.352 -12.587 4.910 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.554 -13.066 6.026 1.00 0.00 C ATOM 1064 C HIS A 68 -1.512 -12.000 6.426 1.00 0.00 C ATOM 1065 O HIS A 68 -0.951 -11.332 5.548 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.889 -14.389 5.622 1.00 0.00 C ATOM 1067 CG HIS A 68 -1.025 -14.979 6.699 1.00 0.00 C ATOM 1068 ND1 HIS A 68 0.321 -14.762 6.866 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -1.448 -15.793 7.713 1.00 0.00 C ATOM 1070 CE1 HIS A 68 0.701 -15.410 7.975 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -0.347 -16.029 8.550 1.00 0.00 N ATOM 0 H HIS A 68 -3.174 -13.074 4.031 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.185 -13.245 6.897 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.663 -15.108 5.353 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.283 -14.225 4.731 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.446 -16.183 7.845 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.711 -15.433 8.356 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.342 -16.562 9.419 1.00 0.00 H new ATOM 1079 N PRO A 69 -1.197 -11.852 7.728 1.00 0.00 N ATOM 1080 CA PRO A 69 -0.109 -11.013 8.226 1.00 0.00 C ATOM 1081 C PRO A 69 1.258 -11.600 7.859 1.00 0.00 C ATOM 1082 O PRO A 69 1.748 -12.538 8.489 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.317 -10.928 9.739 1.00 0.00 C ATOM 1084 CG PRO A 69 -1.052 -12.224 10.069 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.937 -12.420 8.848 1.00 0.00 C ATOM 0 HA PRO A 69 -0.122 -10.020 7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.631 -10.857 10.272 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.904 -10.052 10.015 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.363 -13.057 10.209 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.637 -12.137 10.985 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.147 -13.477 8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.897 -11.920 8.976 1.00 0.00 H new ATOM 1093 N ALA A 70 1.904 -11.027 6.850 1.00 0.00 N ATOM 1094 CA ALA A 70 3.192 -11.436 6.308 1.00 0.00 C ATOM 1095 C ALA A 70 4.378 -10.858 7.110 1.00 0.00 C ATOM 1096 O ALA A 70 5.412 -10.530 6.522 1.00 0.00 O ATOM 1097 CB ALA A 70 3.214 -11.046 4.824 1.00 0.00 C ATOM 0 H ALA A 70 1.520 -10.218 6.361 1.00 0.00 H new ATOM 0 HA ALA A 70 3.313 -12.516 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.168 -11.339 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.403 -11.554 4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.087 -9.968 4.729 1.00 0.00 H new ATOM 1103 N ALA A 71 4.243 -10.767 8.443 1.00 0.00 N ATOM 1104 CA ALA A 71 5.225 -10.284 9.419 1.00 0.00 C ATOM 1105 C ALA A 71 5.507 -8.770 9.283 1.00 0.00 C ATOM 1106 O ALA A 71 5.089 -8.154 8.301 1.00 0.00 O ATOM 1107 CB ALA A 71 6.482 -11.167 9.346 1.00 0.00 C ATOM 0 H ALA A 71 3.376 -11.052 8.898 1.00 0.00 H new ATOM 0 HA ALA A 71 4.811 -10.379 10.423 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.217 -10.814 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.215 -12.199 9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.906 -11.115 8.343 1.00 0.00 H new ATOM 1113 N PRO A 72 6.145 -8.115 10.274 1.00 0.00 N ATOM 1114 CA PRO A 72 6.413 -6.685 10.193 1.00 0.00 C ATOM 1115 C PRO A 72 7.521 -6.334 9.191 1.00 0.00 C ATOM 1116 O PRO A 72 8.187 -7.209 8.627 1.00 0.00 O ATOM 1117 CB PRO A 72 6.777 -6.230 11.606 1.00 0.00 C ATOM 1118 CG PRO A 72 7.350 -7.498 12.233 1.00 0.00 C ATOM 1119 CD PRO A 72 6.493 -8.597 11.603 1.00 0.00 C ATOM 0 HA PRO A 72 5.529 -6.167 9.821 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.506 -5.420 11.595 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.906 -5.867 12.151 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.407 -7.624 11.999 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.263 -7.488 13.319 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.042 -9.537 11.547 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.599 -8.785 12.197 1.00 0.00 H new ATOM 1127 N LEU A 73 7.722 -5.029 9.003 1.00 0.00 N ATOM 1128 CA LEU A 73 8.523 -4.407 7.968 1.00 0.00 C ATOM 1129 C LEU A 73 9.451 -3.360 8.631 1.00 0.00 C ATOM 1130 O LEU A 73 9.040 -2.716 9.594 1.00 0.00 O ATOM 1131 CB LEU A 73 7.497 -3.895 6.929 1.00 0.00 C ATOM 1132 CG LEU A 73 8.096 -3.431 5.600 1.00 0.00 C ATOM 1133 CD1 LEU A 73 7.181 -3.631 4.394 1.00 0.00 C ATOM 1134 CD2 LEU A 73 8.441 -1.981 5.691 1.00 0.00 C ATOM 0 H LEU A 73 7.295 -4.336 9.618 1.00 0.00 H new ATOM 0 HA LEU A 73 9.218 -5.058 7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.779 -4.690 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.941 -3.067 7.368 1.00 0.00 H new ATOM 0 HG LEU A 73 8.976 -4.053 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.683 -3.276 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.948 -4.690 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.258 -3.070 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.868 -1.649 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.540 -1.405 5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.167 -1.829 6.490 1.00 0.00 H new ATOM 1146 N PRO A 74 10.704 -3.169 8.166 1.00 0.00 N ATOM 1147 CA PRO A 74 11.660 -2.224 8.748 1.00 0.00 C ATOM 1148 C PRO A 74 11.555 -0.823 8.121 1.00 0.00 C ATOM 1149 O PRO A 74 11.048 -0.692 7.006 1.00 0.00 O ATOM 1150 CB PRO A 74 13.029 -2.841 8.443 1.00 0.00 C ATOM 1151 CG PRO A 74 12.833 -3.598 7.135 1.00 0.00 C ATOM 1152 CD PRO A 74 11.354 -3.973 7.146 1.00 0.00 C ATOM 0 HA PRO A 74 11.477 -2.079 9.813 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.796 -2.073 8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.349 -3.509 9.243 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.082 -2.978 6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.469 -4.482 7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.905 -3.789 6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.230 -5.035 7.359 1.00 0.00 H new ATOM 1160 N PRO A 75 12.162 0.216 8.724 1.00 0.00 N ATOM 1161 CA PRO A 75 12.138 1.575 8.181 1.00 0.00 C ATOM 1162 C PRO A 75 12.719 1.690 6.768 1.00 0.00 C ATOM 1163 O PRO A 75 12.458 2.669 6.076 1.00 0.00 O ATOM 1164 CB PRO A 75 12.932 2.437 9.169 1.00 0.00 C ATOM 1165 CG PRO A 75 13.750 1.439 9.989 1.00 0.00 C ATOM 1166 CD PRO A 75 12.870 0.194 9.995 1.00 0.00 C ATOM 0 HA PRO A 75 11.104 1.904 8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.578 3.143 8.647 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.268 3.022 9.806 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.721 1.244 9.535 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.938 1.805 10.998 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.470 -0.711 10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.173 0.209 10.833 1.00 0.00 H new ATOM 1174 N GLU A 76 13.520 0.718 6.336 1.00 0.00 N ATOM 1175 CA GLU A 76 14.193 0.726 5.039 1.00 0.00 C ATOM 1176 C GLU A 76 13.469 -0.172 4.039 1.00 0.00 C ATOM 1177 O GLU A 76 13.685 -0.050 2.833 1.00 0.00 O ATOM 1178 CB GLU A 76 15.641 0.247 5.208 1.00 0.00 C ATOM 1179 CG GLU A 76 16.280 0.869 6.447 1.00 0.00 C ATOM 1180 CD GLU A 76 17.799 0.789 6.410 1.00 0.00 C ATOM 1181 OE1 GLU A 76 18.330 -0.336 6.538 1.00 0.00 O ATOM 1182 OE2 GLU A 76 18.483 1.834 6.348 1.00 0.00 O ATOM 0 H GLU A 76 13.723 -0.114 6.889 1.00 0.00 H new ATOM 0 HA GLU A 76 14.183 1.745 4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.661 -0.840 5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.221 0.511 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.974 1.912 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.912 0.360 7.338 1.00 0.00 H new ATOM 1189 N GLY A 77 12.613 -1.070 4.533 1.00 0.00 N ATOM 1190 CA GLY A 77 11.769 -1.922 3.702 1.00 0.00 C ATOM 1191 C GLY A 77 10.790 -1.070 2.901 1.00 0.00 C ATOM 1192 O GLY A 77 10.567 -1.310 1.714 1.00 0.00 O ATOM 0 H GLY A 77 12.488 -1.225 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.388 -2.511 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.222 -2.627 4.328 1.00 0.00 H new ATOM 1196 N LEU A 78 10.240 -0.036 3.542 1.00 0.00 N ATOM 1197 CA LEU A 78 9.305 0.885 2.918 1.00 0.00 C ATOM 1198 C LEU A 78 10.006 1.565 1.749 1.00 0.00 C ATOM 1199 O LEU A 78 9.505 1.581 0.630 1.00 0.00 O ATOM 1200 CB LEU A 78 8.836 1.905 3.963 1.00 0.00 C ATOM 1201 CG LEU A 78 7.990 3.041 3.359 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.688 2.532 2.745 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.640 4.035 4.459 1.00 0.00 C ATOM 0 H LEU A 78 10.437 0.182 4.519 1.00 0.00 H new ATOM 0 HA LEU A 78 8.428 0.360 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.252 1.392 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.706 2.333 4.461 1.00 0.00 H new ATOM 0 HG LEU A 78 8.581 3.505 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.128 3.371 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.914 1.821 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.092 2.040 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.041 4.844 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.072 3.529 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.556 4.445 4.884 1.00 0.00 H new ATOM 1215 N ASN A 79 11.197 2.101 2.002 1.00 0.00 N ATOM 1216 CA ASN A 79 11.993 2.836 1.036 1.00 0.00 C ATOM 1217 C ASN A 79 12.420 1.953 -0.137 1.00 0.00 C ATOM 1218 O ASN A 79 12.779 2.499 -1.179 1.00 0.00 O ATOM 1219 CB ASN A 79 13.223 3.443 1.735 1.00 0.00 C ATOM 1220 CG ASN A 79 12.859 4.427 2.844 1.00 0.00 C ATOM 1221 OD1 ASN A 79 11.853 4.284 3.523 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.657 5.444 3.086 1.00 0.00 N ATOM 0 H ASN A 79 11.645 2.031 2.916 1.00 0.00 H new ATOM 0 HA ASN A 79 11.377 3.637 0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.828 2.639 2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.840 3.952 0.994 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.433 6.102 3.833 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.500 5.575 2.527 1.00 0.00 H new ATOM 1229 N ASP A 80 12.406 0.622 -0.004 1.00 0.00 N ATOM 1230 CA ASP A 80 12.605 -0.318 -1.111 1.00 0.00 C ATOM 1231 C ASP A 80 11.335 -0.437 -1.958 1.00 0.00 C ATOM 1232 O ASP A 80 11.400 -0.317 -3.181 1.00 0.00 O ATOM 1233 CB ASP A 80 13.025 -1.696 -0.588 1.00 0.00 C ATOM 1234 CG ASP A 80 13.286 -2.667 -1.738 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.209 -2.393 -2.541 1.00 0.00 O ATOM 1236 OD2 ASP A 80 12.602 -3.714 -1.812 1.00 0.00 O ATOM 0 H ASP A 80 12.253 0.160 0.893 1.00 0.00 H new ATOM 0 HA ASP A 80 13.406 0.071 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.924 -1.598 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.244 -2.096 0.059 1.00 0.00 H new ATOM 1241 N LEU A 81 10.167 -0.608 -1.327 1.00 0.00 N ATOM 1242 CA LEU A 81 8.877 -0.623 -2.024 1.00 0.00 C ATOM 1243 C LEU A 81 8.676 0.679 -2.794 1.00 0.00 C ATOM 1244 O LEU A 81 8.435 0.658 -4.000 1.00 0.00 O ATOM 1245 CB LEU A 81 7.709 -0.820 -1.040 1.00 0.00 C ATOM 1246 CG LEU A 81 7.466 -2.272 -0.601 1.00 0.00 C ATOM 1247 CD1 LEU A 81 6.392 -2.282 0.490 1.00 0.00 C ATOM 1248 CD2 LEU A 81 6.985 -3.147 -1.766 1.00 0.00 C ATOM 0 H LEU A 81 10.091 -0.740 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 81 8.889 -1.462 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.895 -0.215 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.798 -0.438 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 81 8.409 -2.678 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.209 -3.307 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.731 -1.690 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.469 -1.855 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.825 -4.166 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.050 -2.748 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.738 -3.150 -2.554 1.00 0.00 H new ATOM 1260 N ILE A 82 8.787 1.814 -2.103 1.00 0.00 N ATOM 1261 CA ILE A 82 8.594 3.153 -2.652 1.00 0.00 C ATOM 1262 C ILE A 82 9.561 3.399 -3.816 1.00 0.00 C ATOM 1263 O ILE A 82 9.172 4.051 -4.791 1.00 0.00 O ATOM 1264 CB ILE A 82 8.722 4.194 -1.514 1.00 0.00 C ATOM 1265 CG1 ILE A 82 7.588 4.060 -0.469 1.00 0.00 C ATOM 1266 CG2 ILE A 82 8.790 5.639 -2.026 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.201 4.538 -0.919 1.00 0.00 C ATOM 0 H ILE A 82 9.022 1.825 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 82 7.592 3.253 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 82 9.672 3.969 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.512 3.013 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.873 4.621 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.879 6.321 -1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.656 5.754 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.883 5.870 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.487 4.397 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.248 5.595 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.882 3.962 -1.788 1.00 0.00 H new ATOM 1279 N ARG A 83 10.780 2.830 -3.785 1.00 0.00 N ATOM 1280 CA ARG A 83 11.715 2.911 -4.898 1.00 0.00 C ATOM 1281 C ARG A 83 11.072 2.478 -6.206 1.00 0.00 C ATOM 1282 O ARG A 83 11.412 3.043 -7.233 1.00 0.00 O ATOM 1283 CB ARG A 83 12.968 2.044 -4.645 1.00 0.00 C ATOM 1284 CG ARG A 83 14.256 2.798 -4.988 1.00 0.00 C ATOM 1285 CD ARG A 83 15.293 1.944 -5.727 1.00 0.00 C ATOM 1286 NE ARG A 83 16.603 2.618 -5.762 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.598 2.413 -6.632 1.00 0.00 C ATOM 1288 NH1 ARG A 83 17.455 1.627 -7.693 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.766 3.005 -6.435 1.00 0.00 N ATOM 0 H ARG A 83 11.134 2.305 -2.985 1.00 0.00 H new ATOM 0 HA ARG A 83 12.010 3.957 -4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.993 1.737 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.908 1.135 -5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.007 3.663 -5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.700 3.177 -4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.391 0.977 -5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.952 1.751 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 83 16.770 3.320 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.566 1.158 -7.864 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.235 1.492 -8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.901 3.611 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.531 2.855 -7.093 1.00 0.00 H new ATOM 1303 N ALA A 84 10.148 1.514 -6.189 1.00 0.00 N ATOM 1304 CA ALA A 84 9.529 1.004 -7.397 1.00 0.00 C ATOM 1305 C ALA A 84 8.749 2.116 -8.111 1.00 0.00 C ATOM 1306 O ALA A 84 9.001 2.389 -9.287 1.00 0.00 O ATOM 1307 CB ALA A 84 8.673 -0.225 -7.054 1.00 0.00 C ATOM 0 H ALA A 84 9.814 1.071 -5.333 1.00 0.00 H new ATOM 0 HA ALA A 84 10.291 0.674 -8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.207 -0.609 -7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.305 -0.998 -6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.899 0.058 -6.341 1.00 0.00 H new ATOM 1313 N HIS A 85 7.829 2.777 -7.402 1.00 0.00 N ATOM 1314 CA HIS A 85 7.025 3.872 -7.945 1.00 0.00 C ATOM 1315 C HIS A 85 7.932 5.054 -8.315 1.00 0.00 C ATOM 1316 O HIS A 85 7.746 5.674 -9.358 1.00 0.00 O ATOM 1317 CB HIS A 85 5.933 4.254 -6.931 1.00 0.00 C ATOM 1318 CG HIS A 85 4.892 5.254 -7.398 1.00 0.00 C ATOM 1319 ND1 HIS A 85 3.538 5.029 -7.600 1.00 0.00 N ATOM 1320 CD2 HIS A 85 5.097 6.601 -7.540 1.00 0.00 C ATOM 1321 CE1 HIS A 85 2.958 6.209 -7.875 1.00 0.00 C ATOM 1322 NE2 HIS A 85 3.863 7.195 -7.827 1.00 0.00 N ATOM 0 H HIS A 85 7.621 2.564 -6.426 1.00 0.00 H new ATOM 0 HA HIS A 85 6.525 3.559 -8.862 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.418 3.343 -6.626 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.419 4.658 -6.043 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.043 7.113 -7.447 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.911 6.343 -8.102 1.00 0.00 H new ATOM 0 HE2 HIS A 85 3.686 8.189 -7.972 1.00 0.00 H new ATOM 1330 N CYS A 86 8.949 5.351 -7.503 1.00 0.00 N ATOM 1331 CA CYS A 86 9.817 6.486 -7.778 1.00 0.00 C ATOM 1332 C CYS A 86 10.697 6.231 -8.996 1.00 0.00 C ATOM 1333 O CYS A 86 10.882 7.144 -9.794 1.00 0.00 O ATOM 1334 CB CYS A 86 10.670 6.822 -6.554 1.00 0.00 C ATOM 1335 SG CYS A 86 9.577 7.244 -5.167 1.00 0.00 S ATOM 0 H CYS A 86 9.186 4.826 -6.661 1.00 0.00 H new ATOM 0 HA CYS A 86 9.182 7.343 -8.002 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.301 5.973 -6.291 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.335 7.657 -6.776 1.00 0.00 H new ATOM 0 HG CYS A 86 10.262 7.256 -4.062 1.00 0.00 H new ATOM 1341 N ALA A 87 11.240 5.024 -9.158 1.00 0.00 N ATOM 1342 CA ALA A 87 12.139 4.695 -10.252 1.00 0.00 C ATOM 1343 C ALA A 87 11.389 4.508 -11.568 1.00 0.00 C ATOM 1344 O ALA A 87 11.956 4.813 -12.616 1.00 0.00 O ATOM 1345 CB ALA A 87 12.930 3.430 -9.915 1.00 0.00 C ATOM 0 H ALA A 87 11.063 4.244 -8.525 1.00 0.00 H new ATOM 0 HA ALA A 87 12.825 5.532 -10.380 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.601 3.190 -10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.513 3.596 -9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.240 2.601 -9.756 1.00 0.00 H new ATOM 1351 N THR A 88 10.134 4.035 -11.541 1.00 0.00 N ATOM 1352 CA THR A 88 9.375 3.929 -12.781 1.00 0.00 C ATOM 1353 C THR A 88 9.126 5.348 -13.308 1.00 0.00 C ATOM 1354 O THR A 88 9.291 5.585 -14.506 1.00 0.00 O ATOM 1355 CB THR A 88 8.127 3.027 -12.619 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.605 2.625 -13.863 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.955 3.591 -11.828 1.00 0.00 C ATOM 0 H THR A 88 9.642 3.731 -10.701 1.00 0.00 H new ATOM 0 HA THR A 88 9.940 3.405 -13.553 1.00 0.00 H new ATOM 0 HB THR A 88 8.541 2.202 -12.039 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.820 2.056 -13.720 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.151 2.855 -11.794 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.279 3.822 -10.813 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.595 4.500 -12.310 1.00 0.00 H new ATOM 1365 N LEU A 89 8.809 6.305 -12.423 1.00 0.00 N ATOM 1366 CA LEU A 89 8.474 7.668 -12.806 1.00 0.00 C ATOM 1367 C LEU A 89 9.759 8.451 -13.054 1.00 0.00 C ATOM 1368 O LEU A 89 10.084 8.697 -14.215 1.00 0.00 O ATOM 1369 CB LEU A 89 7.533 8.295 -11.761 1.00 0.00 C ATOM 1370 CG LEU A 89 6.185 7.548 -11.679 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.310 8.138 -10.584 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.398 7.563 -12.995 1.00 0.00 C ATOM 0 H LEU A 89 8.780 6.145 -11.416 1.00 0.00 H new ATOM 0 HA LEU A 89 7.919 7.687 -13.744 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.015 8.282 -10.784 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.354 9.340 -12.014 1.00 0.00 H new ATOM 0 HG LEU A 89 6.438 6.512 -11.454 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.365 7.597 -10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.820 8.051 -9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.118 9.189 -10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.462 7.020 -12.865 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.184 8.593 -13.279 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.988 7.086 -13.777 1.00 0.00 H new ATOM 1384 N GLY A 90 10.530 8.771 -12.014 1.00 0.00 N ATOM 1385 CA GLY A 90 11.858 9.362 -12.143 1.00 0.00 C ATOM 1386 C GLY A 90 12.274 10.212 -10.941 1.00 0.00 C ATOM 1387 O GLY A 90 12.860 11.280 -11.147 1.00 0.00 O ATOM 0 H GLY A 90 10.244 8.624 -11.046 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.588 8.565 -12.283 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.885 9.980 -13.040 1.00 0.00 H new ATOM 1391 N HIS A 91 11.961 9.790 -9.710 1.00 0.00 N ATOM 1392 CA HIS A 91 12.149 10.582 -8.487 1.00 0.00 C ATOM 1393 C HIS A 91 13.323 10.056 -7.638 1.00 0.00 C ATOM 1394 O HIS A 91 13.712 8.888 -7.762 1.00 0.00 O ATOM 1395 CB HIS A 91 10.818 10.614 -7.715 1.00 0.00 C ATOM 1396 CG HIS A 91 10.234 11.993 -7.511 1.00 0.00 C ATOM 1397 ND1 HIS A 91 10.902 13.152 -7.176 1.00 0.00 N ATOM 1398 CD2 HIS A 91 8.903 12.296 -7.564 1.00 0.00 C ATOM 1399 CE1 HIS A 91 9.994 14.128 -7.024 1.00 0.00 C ATOM 1400 NE2 HIS A 91 8.760 13.650 -7.239 1.00 0.00 N ATOM 0 H HIS A 91 11.561 8.869 -9.532 1.00 0.00 H new ATOM 0 HA HIS A 91 12.424 11.604 -8.749 1.00 0.00 H new ATOM 0 HB2 HIS A 91 10.090 10.002 -8.249 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.969 10.151 -6.740 1.00 0.00 H new ATOM 0 HD1 HIS A 91 11.911 13.250 -7.063 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.104 11.613 -7.812 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.224 15.151 -6.766 1.00 0.00 H new ATOM 1408 N CYS A 92 13.913 10.918 -6.792 1.00 0.00 N ATOM 1409 CA CYS A 92 15.201 10.677 -6.131 1.00 0.00 C ATOM 1410 C CYS A 92 15.301 11.299 -4.719 1.00 0.00 C ATOM 1411 O CYS A 92 16.383 11.728 -4.316 1.00 0.00 O ATOM 1412 CB CYS A 92 16.338 11.120 -7.076 1.00 0.00 C ATOM 1413 SG CYS A 92 16.205 12.850 -7.622 1.00 0.00 S ATOM 0 H CYS A 92 13.498 11.817 -6.546 1.00 0.00 H new ATOM 0 HA CYS A 92 15.297 9.607 -5.944 1.00 0.00 H new ATOM 0 HB2 CYS A 92 17.293 10.981 -6.570 1.00 0.00 H new ATOM 0 HB3 CYS A 92 16.343 10.471 -7.952 1.00 0.00 H new ATOM 0 HG CYS A 92 17.200 13.135 -8.408 1.00 0.00 H new ATOM 1419 N CYS A 93 14.192 11.320 -3.969 1.00 0.00 N ATOM 1420 CA CYS A 93 13.897 11.973 -2.685 1.00 0.00 C ATOM 1421 C CYS A 93 14.087 13.499 -2.775 1.00 0.00 C ATOM 1422 O CYS A 93 14.543 14.013 -3.805 1.00 0.00 O ATOM 1423 CB CYS A 93 14.586 11.279 -1.493 1.00 0.00 C ATOM 1424 SG CYS A 93 16.318 11.753 -1.255 1.00 0.00 S ATOM 0 H CYS A 93 13.370 10.811 -4.292 1.00 0.00 H new ATOM 0 HA CYS A 93 12.837 11.840 -2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 93 14.030 11.508 -0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 93 14.533 10.200 -1.636 1.00 0.00 H new ATOM 0 HG CYS A 93 16.893 11.891 -2.413 1.00 0.00 H new ATOM 1430 N THR A 94 13.751 14.245 -1.717 1.00 0.00 N ATOM 1431 CA THR A 94 13.852 15.703 -1.715 1.00 0.00 C ATOM 1432 C THR A 94 14.642 16.190 -0.495 1.00 0.00 C ATOM 1433 O THR A 94 15.670 16.855 -0.650 1.00 0.00 O ATOM 1434 CB THR A 94 12.463 16.365 -1.865 1.00 0.00 C ATOM 1435 OG1 THR A 94 11.712 16.265 -0.672 1.00 0.00 O ATOM 1436 CG2 THR A 94 11.612 15.776 -2.999 1.00 0.00 C ATOM 0 H THR A 94 13.403 13.854 -0.842 1.00 0.00 H new ATOM 0 HA THR A 94 14.419 16.019 -2.590 1.00 0.00 H new ATOM 0 HB THR A 94 12.684 17.405 -2.104 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.840 16.694 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.653 16.293 -3.040 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.133 15.902 -3.948 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.445 14.715 -2.815 1.00 0.00 H new ATOM 1444 N SER A 95 14.196 15.888 0.727 1.00 0.00 N ATOM 1445 CA SER A 95 14.803 16.412 1.950 1.00 0.00 C ATOM 1446 C SER A 95 14.716 15.446 3.125 1.00 0.00 C ATOM 1447 O SER A 95 14.925 15.860 4.267 1.00 0.00 O ATOM 1448 CB SER A 95 14.233 17.810 2.253 1.00 0.00 C ATOM 1449 OG SER A 95 15.063 18.553 3.133 1.00 0.00 O ATOM 0 H SER A 95 13.401 15.271 0.895 1.00 0.00 H new ATOM 0 HA SER A 95 15.875 16.519 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.112 18.360 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.241 17.708 2.693 1.00 0.00 H new ATOM 0 HG SER A 95 15.359 17.977 3.868 1.00 0.00 H new ATOM 1455 N LYS A 96 14.417 14.174 2.874 1.00 0.00 N ATOM 1456 CA LYS A 96 14.344 13.137 3.890 1.00 0.00 C ATOM 1457 C LYS A 96 14.908 11.836 3.334 1.00 0.00 C ATOM 1458 O LYS A 96 15.339 11.781 2.179 1.00 0.00 O ATOM 1459 CB LYS A 96 12.877 13.014 4.340 1.00 0.00 C ATOM 1460 CG LYS A 96 12.619 13.732 5.677 1.00 0.00 C ATOM 1461 CD LYS A 96 11.904 15.077 5.503 1.00 0.00 C ATOM 1462 CE LYS A 96 10.406 14.804 5.368 1.00 0.00 C ATOM 1463 NZ LYS A 96 9.607 16.028 5.168 1.00 0.00 N ATOM 0 H LYS A 96 14.215 13.831 1.935 1.00 0.00 H new ATOM 0 HA LYS A 96 14.947 13.387 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.227 13.433 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.616 11.960 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.019 13.088 6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.569 13.894 6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.097 15.724 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.278 15.595 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.241 14.129 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.055 14.291 6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.601 15.776 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.738 16.664 5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.918 16.507 4.299 1.00 0.00 H new ATOM 1477 N MET A 97 14.930 10.811 4.183 1.00 0.00 N ATOM 1478 CA MET A 97 15.350 9.453 3.877 1.00 0.00 C ATOM 1479 C MET A 97 14.231 8.818 3.069 1.00 0.00 C ATOM 1480 O MET A 97 13.407 8.101 3.633 1.00 0.00 O ATOM 1481 CB MET A 97 15.591 8.670 5.185 1.00 0.00 C ATOM 1482 CG MET A 97 16.531 9.375 6.169 1.00 0.00 C ATOM 1483 SD MET A 97 15.799 9.767 7.791 1.00 0.00 S ATOM 1484 CE MET A 97 14.267 10.663 7.381 1.00 0.00 C ATOM 0 H MET A 97 14.639 10.915 5.155 1.00 0.00 H new ATOM 0 HA MET A 97 16.282 9.444 3.313 1.00 0.00 H new ATOM 0 HB2 MET A 97 14.633 8.497 5.675 1.00 0.00 H new ATOM 0 HB3 MET A 97 16.005 7.692 4.940 1.00 0.00 H new ATOM 0 HG2 MET A 97 17.407 8.745 6.326 1.00 0.00 H new ATOM 0 HG3 MET A 97 16.882 10.301 5.713 1.00 0.00 H new ATOM 0 HE1 MET A 97 13.726 10.896 8.298 1.00 0.00 H new ATOM 0 HE2 MET A 97 14.515 11.588 6.860 1.00 0.00 H new ATOM 0 HE3 MET A 97 13.643 10.041 6.739 1.00 0.00 H new ATOM 1494 N HIS A 98 14.120 9.155 1.782 1.00 0.00 N ATOM 1495 CA HIS A 98 12.883 9.073 1.006 1.00 0.00 C ATOM 1496 C HIS A 98 11.785 9.946 1.660 1.00 0.00 C ATOM 1497 O HIS A 98 11.392 10.960 1.084 1.00 0.00 O ATOM 1498 CB HIS A 98 12.476 7.602 0.757 1.00 0.00 C ATOM 1499 CG HIS A 98 12.450 7.119 -0.673 1.00 0.00 C ATOM 1500 ND1 HIS A 98 12.971 5.919 -1.110 1.00 0.00 N ATOM 1501 CD2 HIS A 98 11.862 7.727 -1.748 1.00 0.00 C ATOM 1502 CE1 HIS A 98 12.688 5.799 -2.415 1.00 0.00 C ATOM 1503 NE2 HIS A 98 12.028 6.880 -2.854 1.00 0.00 N ATOM 0 H HIS A 98 14.910 9.502 1.237 1.00 0.00 H new ATOM 0 HA HIS A 98 13.042 9.489 0.011 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.161 6.964 1.315 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.483 7.451 1.181 1.00 0.00 H new ATOM 0 HD1 HIS A 98 13.481 5.243 -0.541 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.362 8.684 -1.746 1.00 0.00 H new ATOM 0 HE1 HIS A 98 12.955 4.950 -3.027 1.00 0.00 H new ATOM 1511 N LEU A 99 11.299 9.585 2.849 1.00 0.00 N ATOM 1512 CA LEU A 99 10.012 9.932 3.446 1.00 0.00 C ATOM 1513 C LEU A 99 10.164 10.111 4.956 1.00 0.00 C ATOM 1514 O LEU A 99 11.218 9.819 5.526 1.00 0.00 O ATOM 1515 CB LEU A 99 9.038 8.786 3.140 1.00 0.00 C ATOM 1516 CG LEU A 99 8.630 8.657 1.662 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.925 7.313 1.480 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.745 9.835 1.240 1.00 0.00 C ATOM 0 H LEU A 99 11.846 8.990 3.472 1.00 0.00 H new ATOM 0 HA LEU A 99 9.638 10.870 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.492 7.848 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.138 8.924 3.739 1.00 0.00 H new ATOM 0 HG LEU A 99 9.509 8.687 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.625 7.197 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.604 6.506 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.042 7.276 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.468 9.724 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.844 9.852 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.293 10.768 1.374 1.00 0.00 H new ATOM 1530 N HIS A 100 9.101 10.606 5.592 1.00 0.00 N ATOM 1531 CA HIS A 100 8.969 10.795 7.034 1.00 0.00 C ATOM 1532 C HIS A 100 8.027 9.757 7.672 1.00 0.00 C ATOM 1533 O HIS A 100 8.121 9.479 8.872 1.00 0.00 O ATOM 1534 CB HIS A 100 8.421 12.204 7.265 1.00 0.00 C ATOM 1535 CG HIS A 100 8.058 12.525 8.689 1.00 0.00 C ATOM 1536 ND1 HIS A 100 6.782 12.731 9.153 1.00 0.00 N ATOM 1537 CD2 HIS A 100 8.918 12.639 9.746 1.00 0.00 C ATOM 1538 CE1 HIS A 100 6.862 12.948 10.476 1.00 0.00 C ATOM 1539 NE2 HIS A 100 8.150 12.929 10.883 1.00 0.00 N ATOM 0 H HIS A 100 8.266 10.901 5.086 1.00 0.00 H new ATOM 0 HA HIS A 100 9.945 10.664 7.502 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.164 12.926 6.925 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.537 12.339 6.642 1.00 0.00 H new ATOM 0 HD1 HIS A 100 5.929 12.721 8.594 1.00 0.00 H new ATOM 0 HD2 HIS A 100 9.992 12.526 9.712 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.014 13.115 11.124 1.00 0.00 H new ATOM 1547 N SER A 101 7.070 9.238 6.893 1.00 0.00 N ATOM 1548 CA SER A 101 5.987 8.352 7.356 1.00 0.00 C ATOM 1549 C SER A 101 5.174 7.803 6.181 1.00 0.00 C ATOM 1550 O SER A 101 5.398 8.215 5.037 1.00 0.00 O ATOM 1551 CB SER A 101 5.070 9.146 8.304 1.00 0.00 C ATOM 1552 OG SER A 101 5.576 9.081 9.621 1.00 0.00 O ATOM 0 H SER A 101 7.024 9.427 5.892 1.00 0.00 H new ATOM 0 HA SER A 101 6.426 7.502 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.007 10.185 7.979 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.059 8.740 8.272 1.00 0.00 H new ATOM 0 HG SER A 101 6.556 9.093 9.596 1.00 0.00 H new ATOM 1558 N VAL A 102 4.248 6.867 6.437 1.00 0.00 N ATOM 1559 CA VAL A 102 3.349 6.344 5.411 1.00 0.00 C ATOM 1560 C VAL A 102 2.408 7.468 4.963 1.00 0.00 C ATOM 1561 O VAL A 102 2.230 7.669 3.767 1.00 0.00 O ATOM 1562 CB VAL A 102 2.582 5.107 5.929 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.744 4.469 4.808 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.553 4.059 6.499 1.00 0.00 C ATOM 0 H VAL A 102 4.106 6.456 7.360 1.00 0.00 H new ATOM 0 HA VAL A 102 3.923 6.007 4.547 1.00 0.00 H new ATOM 0 HB VAL A 102 1.915 5.445 6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.214 3.600 5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.023 5.196 4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.400 4.158 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.989 3.198 6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.244 3.741 5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.114 4.495 7.326 1.00 0.00 H new ATOM 1574 N MET A 103 1.841 8.245 5.892 1.00 0.00 N ATOM 1575 CA MET A 103 0.950 9.355 5.561 1.00 0.00 C ATOM 1576 C MET A 103 1.632 10.365 4.632 1.00 0.00 C ATOM 1577 O MET A 103 1.030 10.849 3.671 1.00 0.00 O ATOM 1578 CB MET A 103 0.468 10.030 6.855 1.00 0.00 C ATOM 1579 CG MET A 103 -0.684 10.997 6.583 1.00 0.00 C ATOM 1580 SD MET A 103 -2.175 10.199 5.942 1.00 0.00 S ATOM 1581 CE MET A 103 -2.951 9.578 7.450 1.00 0.00 C ATOM 0 H MET A 103 1.989 8.120 6.893 1.00 0.00 H new ATOM 0 HA MET A 103 0.088 8.961 5.023 1.00 0.00 H new ATOM 0 HB2 MET A 103 0.146 9.269 7.566 1.00 0.00 H new ATOM 0 HB3 MET A 103 1.296 10.568 7.317 1.00 0.00 H new ATOM 0 HG2 MET A 103 -0.932 11.520 7.507 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.352 11.751 5.869 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.831 8.989 7.191 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.243 8.952 7.992 1.00 0.00 H new ATOM 0 HE3 MET A 103 -3.248 10.417 8.078 1.00 0.00 H new ATOM 1591 N ASP A 104 2.913 10.643 4.881 1.00 0.00 N ATOM 1592 CA ASP A 104 3.682 11.575 4.064 1.00 0.00 C ATOM 1593 C ASP A 104 3.932 11.000 2.675 1.00 0.00 C ATOM 1594 O ASP A 104 3.983 11.759 1.705 1.00 0.00 O ATOM 1595 CB ASP A 104 5.020 11.916 4.724 1.00 0.00 C ATOM 1596 CG ASP A 104 4.836 12.923 5.847 1.00 0.00 C ATOM 1597 OD1 ASP A 104 4.597 14.115 5.551 1.00 0.00 O ATOM 1598 OD2 ASP A 104 4.930 12.520 7.025 1.00 0.00 O ATOM 0 H ASP A 104 3.441 10.230 5.650 1.00 0.00 H new ATOM 0 HA ASP A 104 3.094 12.488 3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.477 11.008 5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.704 12.320 3.978 1.00 0.00 H new ATOM 1603 N ALA A 105 4.049 9.671 2.567 1.00 0.00 N ATOM 1604 CA ALA A 105 4.144 8.948 1.307 1.00 0.00 C ATOM 1605 C ALA A 105 2.854 9.116 0.509 1.00 0.00 C ATOM 1606 O ALA A 105 2.905 9.423 -0.677 1.00 0.00 O ATOM 1607 CB ALA A 105 4.408 7.457 1.566 1.00 0.00 C ATOM 0 H ALA A 105 4.080 9.057 3.381 1.00 0.00 H new ATOM 0 HA ALA A 105 4.975 9.357 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.477 6.929 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.344 7.343 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.591 7.040 2.154 1.00 0.00 H new ATOM 1613 N ILE A 106 1.699 8.940 1.157 1.00 0.00 N ATOM 1614 CA ILE A 106 0.398 9.151 0.535 1.00 0.00 C ATOM 1615 C ILE A 106 0.322 10.577 -0.011 1.00 0.00 C ATOM 1616 O ILE A 106 -0.249 10.772 -1.077 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.732 8.833 1.543 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.728 7.358 1.984 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -2.142 9.208 1.060 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.995 6.331 0.892 1.00 0.00 C ATOM 0 H ILE A 106 1.645 8.646 2.132 1.00 0.00 H new ATOM 0 HA ILE A 106 0.266 8.471 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.500 9.471 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.240 7.137 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.478 7.231 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.870 8.950 1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.186 10.279 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.371 8.661 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.967 5.329 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.977 6.512 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.232 6.416 0.118 1.00 0.00 H new ATOM 1632 N ASP A 107 0.888 11.572 0.677 1.00 0.00 N ATOM 1633 CA ASP A 107 0.901 12.947 0.176 1.00 0.00 C ATOM 1634 C ASP A 107 1.838 13.095 -1.023 1.00 0.00 C ATOM 1635 O ASP A 107 1.446 13.643 -2.051 1.00 0.00 O ATOM 1636 CB ASP A 107 1.243 13.924 1.304 1.00 0.00 C ATOM 1637 CG ASP A 107 0.509 15.250 1.098 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -0.731 15.271 1.295 1.00 0.00 O ATOM 1639 OD2 ASP A 107 1.177 16.259 0.795 1.00 0.00 O ATOM 0 H ASP A 107 1.343 11.450 1.582 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.099 13.194 -0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.965 13.492 2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.319 14.096 1.331 1.00 0.00 H new ATOM 1644 N PHE A 108 3.054 12.559 -0.901 1.00 0.00 N ATOM 1645 CA PHE A 108 4.102 12.590 -1.918 1.00 0.00 C ATOM 1646 C PHE A 108 3.609 12.029 -3.249 1.00 0.00 C ATOM 1647 O PHE A 108 3.734 12.697 -4.274 1.00 0.00 O ATOM 1648 CB PHE A 108 5.326 11.800 -1.419 1.00 0.00 C ATOM 1649 CG PHE A 108 6.394 11.557 -2.472 1.00 0.00 C ATOM 1650 CD1 PHE A 108 7.367 12.535 -2.742 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.405 10.352 -3.202 1.00 0.00 C ATOM 1652 CE1 PHE A 108 8.352 12.303 -3.714 1.00 0.00 C ATOM 1653 CE2 PHE A 108 7.385 10.120 -4.181 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.376 11.086 -4.415 1.00 0.00 C ATOM 0 H PHE A 108 3.346 12.071 -0.054 1.00 0.00 H new ATOM 0 HA PHE A 108 4.385 13.629 -2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.774 12.339 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.989 10.838 -1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 108 7.356 13.469 -2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.654 9.601 -3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.092 13.061 -3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 108 7.376 9.203 -4.751 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.158 10.893 -5.135 1.00 0.00 H new ATOM 1664 N LEU A 109 3.091 10.797 -3.230 1.00 0.00 N ATOM 1665 CA LEU A 109 2.700 10.043 -4.422 1.00 0.00 C ATOM 1666 C LEU A 109 1.579 10.755 -5.166 1.00 0.00 C ATOM 1667 O LEU A 109 1.515 10.705 -6.394 1.00 0.00 O ATOM 1668 CB LEU A 109 2.239 8.628 -4.018 1.00 0.00 C ATOM 1669 CG LEU A 109 3.337 7.751 -3.384 1.00 0.00 C ATOM 1670 CD1 LEU A 109 2.720 6.522 -2.710 1.00 0.00 C ATOM 1671 CD2 LEU A 109 4.369 7.287 -4.406 1.00 0.00 C ATOM 0 H LEU A 109 2.929 10.285 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 109 3.564 9.970 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.412 8.717 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.852 8.120 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 109 3.843 8.372 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.510 5.915 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.030 6.843 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.181 5.933 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.121 6.673 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.875 6.701 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.850 8.155 -4.858 1.00 0.00 H new ATOM 1683 N ASN A 110 0.697 11.397 -4.409 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.477 12.082 -4.922 1.00 0.00 C ATOM 1685 C ASN A 110 -0.073 13.385 -5.600 1.00 0.00 C ATOM 1686 O ASN A 110 -0.508 13.668 -6.711 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.432 12.326 -3.750 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.899 12.343 -4.135 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.422 13.356 -4.589 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -3.592 11.252 -3.848 1.00 0.00 N ATOM 0 H ASN A 110 0.784 11.455 -3.394 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.980 11.475 -5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.274 11.551 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.180 13.278 -3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.600 11.233 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.118 10.431 -3.472 1.00 0.00 H new ATOM 1697 N ALA A 111 0.826 14.143 -4.962 1.00 0.00 N ATOM 1698 CA ALA A 111 1.366 15.411 -5.446 1.00 0.00 C ATOM 1699 C ALA A 111 2.206 15.290 -6.732 1.00 0.00 C ATOM 1700 O ALA A 111 2.772 16.282 -7.191 1.00 0.00 O ATOM 1701 CB ALA A 111 2.190 16.043 -4.318 1.00 0.00 C ATOM 0 H ALA A 111 1.211 13.875 -4.056 1.00 0.00 H new ATOM 0 HA ALA A 111 0.522 16.044 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.604 16.993 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.550 16.215 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.003 15.372 -4.041 1.00 0.00 H new ATOM 1707 N LEU A 112 2.328 14.095 -7.311 1.00 0.00 N ATOM 1708 CA LEU A 112 2.897 13.880 -8.639 1.00 0.00 C ATOM 1709 C LEU A 112 1.893 14.184 -9.751 1.00 0.00 C ATOM 1710 O LEU A 112 2.299 14.409 -10.890 1.00 0.00 O ATOM 1711 CB LEU A 112 3.365 12.422 -8.769 1.00 0.00 C ATOM 1712 CG LEU A 112 4.375 11.995 -7.690 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.852 10.562 -7.913 1.00 0.00 C ATOM 1714 CD2 LEU A 112 5.601 12.903 -7.655 1.00 0.00 C ATOM 0 H LEU A 112 2.027 13.232 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 112 3.739 14.564 -8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.496 11.766 -8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.816 12.281 -9.751 1.00 0.00 H new ATOM 0 HG LEU A 112 3.846 12.071 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.565 10.290 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.999 9.885 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.334 10.486 -8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.285 12.561 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.105 12.871 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.290 13.926 -7.441 1.00 0.00 H new ATOM 1726 N GLU A 113 0.593 14.153 -9.458 1.00 0.00 N ATOM 1727 CA GLU A 113 -0.457 14.301 -10.457 1.00 0.00 C ATOM 1728 C GLU A 113 -0.750 15.780 -10.683 1.00 0.00 C ATOM 1729 O GLU A 113 -1.491 16.416 -9.931 1.00 0.00 O ATOM 1730 CB GLU A 113 -1.714 13.534 -10.042 1.00 0.00 C ATOM 1731 CG GLU A 113 -1.443 12.026 -10.001 1.00 0.00 C ATOM 1732 CD GLU A 113 -2.715 11.188 -9.900 1.00 0.00 C ATOM 1733 OE1 GLU A 113 -3.590 11.479 -9.051 1.00 0.00 O ATOM 1734 OE2 GLU A 113 -2.782 10.155 -10.606 1.00 0.00 O ATOM 0 H GLU A 113 0.239 14.023 -8.510 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.115 13.873 -11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.046 13.875 -9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.522 13.744 -10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.896 11.737 -10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.800 11.802 -9.150 1.00 0.00 H new ATOM 1741 N GLY A 114 -0.125 16.344 -11.713 1.00 0.00 N ATOM 1742 CA GLY A 114 -0.586 17.554 -12.364 1.00 0.00 C ATOM 1743 C GLY A 114 -1.795 17.219 -13.219 1.00 0.00 C ATOM 1744 O GLY A 114 -1.888 16.063 -13.697 1.00 0.00 O ATOM 0 H GLY A 114 0.729 15.963 -12.121 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.847 18.307 -11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.207 17.976 -12.981 1.00 0.00 H new TER 1748 GLY A 114