USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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 39 TYR OH : rot 81:sc= 0.759 USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 SER OG : rot 124:sc= -2.91! USER MOD Set 2.2: A 23 CYS SG : rot 50:sc= -3.14 USER MOD Set 3.1: A 9 ASN : amide:sc= -2.53 X(o=-2.7,f=-3!) USER MOD Set 3.2: A 10 ASN : amide:sc= -0.215 K(o=-2.7,f=-4.5) USER MOD Set 4.1: A 5 HIS : no HE2:sc= -2.97! X(o=-10!,f=-10) USER MOD Set 4.2: A 92 ASN : amide:sc= -6.06! C(o=-10!,f=-21!) USER MOD Set 4.3: A 94 SER OG : rot -14:sc= -1.12 USER MOD Single : A 3 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.6!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -6.71! C(o=-6.7!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -5.01! C(o=-5!,f=-7.4!) USER MOD Single : A 25 ASN : amide:sc= -2.1 K(o=-2.1,f=-3.6!) USER MOD Single : A 33 SER OG : rot 157:sc= 0.562 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.65! C(o=-5.7!,f=-14!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0061 USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.96! C(o=-2!,f=-2.2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc=-0.00382 F(o=-0.55,f=-0.0038) USER MOD Single : A 80 ASN : amide:sc= -0.0429 K(o=-0.043,f=-2!) USER MOD Single : A 82 MET CE :methyl 162:sc= 0 (180deg=-0.4) USER MOD Single : A 90 ASN : amide:sc= -0.779 X(o=-0.78,f=-0.39) USER MOD Single : A 99 ASN : amide:sc= -1.22 K(o=-1.2,f=-3) USER MOD Single : A 101 CYS SG : rot -50:sc= -0.237 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.740 -8.644 -4.104 1.00 0.00 N ATOM 21 CA GLY A 2 -5.274 -7.313 -3.877 1.00 0.00 C ATOM 22 C GLY A 2 -5.825 -6.688 -5.135 1.00 0.00 C ATOM 23 O GLY A 2 -5.361 -5.639 -5.584 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.062 -7.365 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.489 -6.674 -3.472 1.00 0.00 H new ATOM 27 N ASN A 3 -6.836 -7.335 -5.686 1.00 0.00 N ATOM 28 CA ASN A 3 -7.505 -6.865 -6.888 1.00 0.00 C ATOM 29 C ASN A 3 -8.139 -5.495 -6.661 1.00 0.00 C ATOM 30 O ASN A 3 -8.535 -4.825 -7.612 1.00 0.00 O ATOM 31 CB ASN A 3 -8.569 -7.867 -7.329 1.00 0.00 C ATOM 32 CG ASN A 3 -8.034 -8.878 -8.324 1.00 0.00 C ATOM 33 OD1 ASN A 3 -6.946 -8.710 -8.874 1.00 0.00 O ATOM 34 ND2 ASN A 3 -8.800 -9.938 -8.560 1.00 0.00 N ATOM 0 H ASN A 3 -7.218 -8.204 -5.312 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.757 -6.771 -7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.955 -8.391 -6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.407 -7.331 -7.775 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.493 -10.653 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.695 -10.037 -8.081 1.00 0.00 H new ATOM 41 N PHE A 4 -8.266 -5.097 -5.393 1.00 0.00 N ATOM 42 CA PHE A 4 -8.892 -3.824 -5.053 1.00 0.00 C ATOM 43 C PHE A 4 -8.377 -2.694 -5.943 1.00 0.00 C ATOM 44 O PHE A 4 -9.113 -1.764 -6.267 1.00 0.00 O ATOM 45 CB PHE A 4 -8.632 -3.482 -3.579 1.00 0.00 C ATOM 46 CG PHE A 4 -7.399 -2.649 -3.352 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.141 -3.160 -3.629 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.500 -1.353 -2.871 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.007 -2.395 -3.430 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.370 -0.583 -2.669 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.122 -1.105 -2.949 1.00 0.00 C ATOM 0 H PHE A 4 -7.944 -5.638 -4.590 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.964 -3.927 -5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.496 -2.949 -3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.541 -4.409 -3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.045 -4.168 -4.005 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.473 -0.940 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.032 -2.805 -3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.463 0.425 -2.293 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.237 -0.506 -2.792 1.00 0.00 H new ATOM 61 N HIS A 5 -7.115 -2.786 -6.339 1.00 0.00 N ATOM 62 CA HIS A 5 -6.514 -1.773 -7.193 1.00 0.00 C ATOM 63 C HIS A 5 -7.207 -1.730 -8.553 1.00 0.00 C ATOM 64 O HIS A 5 -7.359 -0.665 -9.151 1.00 0.00 O ATOM 65 CB HIS A 5 -5.016 -2.049 -7.362 1.00 0.00 C ATOM 66 CG HIS A 5 -4.685 -2.957 -8.510 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.205 -2.495 -9.717 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.771 -4.303 -8.631 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.012 -3.517 -10.532 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.347 -4.625 -9.897 1.00 0.00 N ATOM 0 H HIS A 5 -6.490 -3.550 -6.083 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.641 -0.800 -6.718 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.496 -1.101 -7.501 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.633 -2.490 -6.442 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.027 -1.517 -9.945 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.110 -4.994 -7.873 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.643 -3.456 -11.545 1.00 0.00 H new ATOM 79 N GLU A 6 -7.620 -2.897 -9.036 1.00 0.00 N ATOM 80 CA GLU A 6 -8.290 -2.994 -10.326 1.00 0.00 C ATOM 81 C GLU A 6 -9.763 -2.605 -10.212 1.00 0.00 C ATOM 82 O GLU A 6 -10.383 -2.199 -11.195 1.00 0.00 O ATOM 83 CB GLU A 6 -8.151 -4.414 -10.886 1.00 0.00 C ATOM 84 CG GLU A 6 -9.059 -5.440 -10.220 1.00 0.00 C ATOM 85 CD GLU A 6 -9.944 -6.168 -11.213 1.00 0.00 C ATOM 86 OE1 GLU A 6 -9.523 -6.329 -12.377 1.00 0.00 O ATOM 87 OE2 GLU A 6 -11.059 -6.578 -10.825 1.00 0.00 O ATOM 0 H GLU A 6 -7.502 -3.788 -8.553 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.812 -2.295 -11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.367 -4.394 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.116 -4.736 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.448 -6.166 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.684 -4.940 -9.480 1.00 0.00 H new ATOM 94 N SER A 7 -10.316 -2.732 -9.010 1.00 0.00 N ATOM 95 CA SER A 7 -11.715 -2.394 -8.775 1.00 0.00 C ATOM 96 C SER A 7 -11.848 -1.114 -7.951 1.00 0.00 C ATOM 97 O SER A 7 -12.916 -0.824 -7.413 1.00 0.00 O ATOM 98 CB SER A 7 -12.424 -3.546 -8.061 1.00 0.00 C ATOM 99 OG SER A 7 -13.750 -3.703 -8.537 1.00 0.00 O ATOM 0 H SER A 7 -9.818 -3.066 -8.185 1.00 0.00 H new ATOM 0 HA SER A 7 -12.184 -2.225 -9.744 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.867 -4.471 -8.215 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.440 -3.358 -6.987 1.00 0.00 H new ATOM 0 HG SER A 7 -14.181 -4.447 -8.066 1.00 0.00 H new ATOM 105 N SER A 8 -10.763 -0.348 -7.858 1.00 0.00 N ATOM 106 CA SER A 8 -10.777 0.898 -7.100 1.00 0.00 C ATOM 107 C SER A 8 -10.177 2.038 -7.915 1.00 0.00 C ATOM 108 O SER A 8 -9.360 1.814 -8.808 1.00 0.00 O ATOM 109 CB SER A 8 -10.007 0.736 -5.788 1.00 0.00 C ATOM 110 OG SER A 8 -10.023 1.936 -5.035 1.00 0.00 O ATOM 0 H SER A 8 -9.868 -0.568 -8.296 1.00 0.00 H new ATOM 0 HA SER A 8 -11.815 1.141 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.447 -0.071 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.977 0.450 -6.000 1.00 0.00 H new ATOM 0 HG SER A 8 -10.397 1.760 -4.146 1.00 0.00 H new ATOM 116 N ASN A 9 -10.585 3.262 -7.598 1.00 0.00 N ATOM 117 CA ASN A 9 -10.086 4.441 -8.296 1.00 0.00 C ATOM 118 C ASN A 9 -9.433 5.411 -7.317 1.00 0.00 C ATOM 119 O ASN A 9 -9.687 5.356 -6.114 1.00 0.00 O ATOM 120 CB ASN A 9 -11.221 5.137 -9.052 1.00 0.00 C ATOM 121 CG ASN A 9 -12.263 5.731 -8.123 1.00 0.00 C ATOM 122 OD1 ASN A 9 -13.204 5.053 -7.713 1.00 0.00 O ATOM 123 ND2 ASN A 9 -12.099 7.006 -7.788 1.00 0.00 N ATOM 0 H ASN A 9 -11.261 3.464 -6.861 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.334 4.117 -9.015 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.805 5.927 -9.678 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.701 4.421 -9.719 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.769 7.460 -7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.303 7.531 -8.152 1.00 0.00 H new ATOM 130 N ASN A 10 -8.588 6.295 -7.838 1.00 0.00 N ATOM 131 CA ASN A 10 -7.896 7.273 -7.006 1.00 0.00 C ATOM 132 C ASN A 10 -6.986 6.578 -5.999 1.00 0.00 C ATOM 133 O ASN A 10 -7.092 6.799 -4.792 1.00 0.00 O ATOM 134 CB ASN A 10 -8.904 8.162 -6.275 1.00 0.00 C ATOM 135 CG ASN A 10 -9.599 9.136 -7.205 1.00 0.00 C ATOM 136 OD1 ASN A 10 -9.568 8.978 -8.425 1.00 0.00 O ATOM 137 ND2 ASN A 10 -10.232 10.153 -6.630 1.00 0.00 N ATOM 0 H ASN A 10 -8.366 6.354 -8.832 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.282 7.897 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.650 7.535 -5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.391 8.717 -5.489 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.718 10.842 -7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.232 10.245 -5.614 1.00 0.00 H new ATOM 144 N ILE A 11 -6.089 5.738 -6.504 1.00 0.00 N ATOM 145 CA ILE A 11 -5.156 5.012 -5.649 1.00 0.00 C ATOM 146 C ILE A 11 -3.832 5.762 -5.545 1.00 0.00 C ATOM 147 O ILE A 11 -3.134 5.949 -6.542 1.00 0.00 O ATOM 148 CB ILE A 11 -4.886 3.581 -6.173 1.00 0.00 C ATOM 149 CG1 ILE A 11 -6.046 3.088 -7.045 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.655 2.626 -5.012 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.393 3.151 -6.356 1.00 0.00 C ATOM 0 H ILE A 11 -5.988 5.543 -7.500 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.619 4.938 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.987 3.610 -6.788 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.085 3.686 -7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.850 2.059 -7.348 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.467 1.624 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.794 2.960 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.538 2.609 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.165 2.787 -7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.373 2.530 -5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.611 4.182 -6.078 1.00 0.00 H new ATOM 163 N TRP A 12 -3.495 6.197 -4.335 1.00 0.00 N ATOM 164 CA TRP A 12 -2.257 6.933 -4.108 1.00 0.00 C ATOM 165 C TRP A 12 -1.834 6.854 -2.644 1.00 0.00 C ATOM 166 O TRP A 12 -2.445 6.138 -1.850 1.00 0.00 O ATOM 167 CB TRP A 12 -2.428 8.396 -4.523 1.00 0.00 C ATOM 168 CG TRP A 12 -3.520 9.102 -3.778 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.858 8.843 -3.848 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.367 10.183 -2.851 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.547 9.697 -3.021 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.654 10.528 -2.397 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.267 10.891 -2.359 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.870 11.551 -1.477 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.483 11.906 -1.445 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.775 12.227 -1.012 1.00 0.00 C ATOM 0 H TRP A 12 -4.061 6.053 -3.499 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.476 6.477 -4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.488 8.924 -4.362 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.639 8.441 -5.591 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.309 8.079 -4.463 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.559 9.710 -2.892 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.267 10.650 -2.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.866 11.802 -1.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.641 12.461 -1.059 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.910 13.024 -0.296 1.00 0.00 H new ATOM 187 N LEU A 13 -0.785 7.592 -2.295 1.00 0.00 N ATOM 188 CA LEU A 13 -0.279 7.603 -0.928 1.00 0.00 C ATOM 189 C LEU A 13 -0.105 9.031 -0.422 1.00 0.00 C ATOM 190 O LEU A 13 0.345 9.911 -1.156 1.00 0.00 O ATOM 191 CB LEU A 13 1.054 6.855 -0.853 1.00 0.00 C ATOM 192 CG LEU A 13 1.278 6.044 0.426 1.00 0.00 C ATOM 193 CD1 LEU A 13 0.088 5.136 0.703 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.559 5.231 0.320 1.00 0.00 C ATOM 0 H LEU A 13 -0.269 8.190 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.008 7.100 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.122 6.181 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.864 7.578 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 13 1.377 6.738 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.268 4.569 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.811 5.741 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.046 4.447 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.704 4.660 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.487 4.547 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.405 5.902 0.173 1.00 0.00 H new ATOM 206 N GLU A 14 -0.467 9.254 0.838 1.00 0.00 N ATOM 207 CA GLU A 14 -0.352 10.575 1.445 1.00 0.00 C ATOM 208 C GLU A 14 0.692 10.572 2.559 1.00 0.00 C ATOM 209 O GLU A 14 0.554 9.859 3.552 1.00 0.00 O ATOM 210 CB GLU A 14 -1.709 11.025 1.994 1.00 0.00 C ATOM 211 CG GLU A 14 -1.650 12.326 2.778 1.00 0.00 C ATOM 212 CD GLU A 14 -2.973 12.671 3.434 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.404 11.919 4.333 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.577 13.694 3.050 1.00 0.00 O ATOM 0 H GLU A 14 -0.842 8.536 1.458 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.030 11.278 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.406 11.142 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.109 10.241 2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.878 12.250 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.358 13.136 2.110 1.00 0.00 H new ATOM 221 N ASP A 15 1.737 11.373 2.380 1.00 0.00 N ATOM 222 CA ASP A 15 2.811 11.467 3.363 1.00 0.00 C ATOM 223 C ASP A 15 3.498 10.115 3.563 1.00 0.00 C ATOM 224 O ASP A 15 4.196 9.906 4.555 1.00 0.00 O ATOM 225 CB ASP A 15 2.267 11.983 4.697 1.00 0.00 C ATOM 226 CG ASP A 15 2.867 13.321 5.087 1.00 0.00 C ATOM 227 OD1 ASP A 15 3.996 13.617 4.642 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.207 14.072 5.836 1.00 0.00 O ATOM 0 H ASP A 15 1.863 11.968 1.561 1.00 0.00 H new ATOM 0 HA ASP A 15 3.552 12.171 2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.183 12.079 4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.476 11.252 5.479 1.00 0.00 H new ATOM 233 N GLY A 16 3.302 9.205 2.613 1.00 0.00 N ATOM 234 CA GLY A 16 3.915 7.893 2.703 1.00 0.00 C ATOM 235 C GLY A 16 3.501 7.130 3.947 1.00 0.00 C ATOM 236 O GLY A 16 4.351 6.703 4.729 1.00 0.00 O ATOM 0 H GLY A 16 2.729 9.354 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.647 7.312 1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.999 8.003 2.695 1.00 0.00 H new ATOM 240 N HIS A 17 2.196 6.948 4.128 1.00 0.00 N ATOM 241 CA HIS A 17 1.684 6.219 5.285 1.00 0.00 C ATOM 242 C HIS A 17 0.164 6.059 5.222 1.00 0.00 C ATOM 243 O HIS A 17 -0.382 5.074 5.718 1.00 0.00 O ATOM 244 CB HIS A 17 2.097 6.916 6.587 1.00 0.00 C ATOM 245 CG HIS A 17 1.346 8.179 6.878 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.224 9.213 5.973 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.682 8.576 7.990 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.520 10.190 6.517 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.179 9.828 7.739 1.00 0.00 N ATOM 0 H HIS A 17 1.477 7.293 3.492 1.00 0.00 H new ATOM 0 HA HIS A 17 2.123 5.221 5.267 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.954 6.224 7.417 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.162 7.143 6.541 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.616 9.222 5.031 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.569 8.012 8.904 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.267 11.126 6.042 1.00 0.00 H new ATOM 258 N ILE A 18 -0.515 7.026 4.611 1.00 0.00 N ATOM 259 CA ILE A 18 -1.968 6.976 4.490 1.00 0.00 C ATOM 260 C ILE A 18 -2.386 6.551 3.084 1.00 0.00 C ATOM 261 O ILE A 18 -1.881 7.071 2.090 1.00 0.00 O ATOM 262 CB ILE A 18 -2.607 8.341 4.828 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.349 8.690 6.296 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.103 8.332 4.532 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.145 7.849 7.271 1.00 0.00 C ATOM 0 H ILE A 18 -0.084 7.851 4.194 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.325 6.236 5.206 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.148 9.103 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.287 8.568 6.508 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.588 9.741 6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.529 9.305 4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.263 8.123 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.588 7.561 5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.910 8.154 8.291 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.210 7.989 7.087 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.889 6.798 7.138 1.00 0.00 H new ATOM 277 N LEU A 19 -3.312 5.599 3.014 1.00 0.00 N ATOM 278 CA LEU A 19 -3.800 5.095 1.735 1.00 0.00 C ATOM 279 C LEU A 19 -5.251 5.504 1.504 1.00 0.00 C ATOM 280 O LEU A 19 -6.063 5.501 2.429 1.00 0.00 O ATOM 281 CB LEU A 19 -3.677 3.570 1.688 1.00 0.00 C ATOM 282 CG LEU A 19 -3.931 2.931 0.319 1.00 0.00 C ATOM 283 CD1 LEU A 19 -5.415 2.950 -0.017 1.00 0.00 C ATOM 284 CD2 LEU A 19 -3.128 3.642 -0.762 1.00 0.00 C ATOM 0 H LEU A 19 -3.740 5.161 3.830 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.189 5.531 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.676 3.293 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.379 3.144 2.405 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.604 1.892 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.573 2.492 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.967 2.392 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.770 3.980 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.322 3.173 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.421 4.691 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.065 3.571 -0.531 1.00 0.00 H new ATOM 296 N HIS A 20 -5.572 5.848 0.260 1.00 0.00 N ATOM 297 CA HIS A 20 -6.929 6.252 -0.099 1.00 0.00 C ATOM 298 C HIS A 20 -7.336 5.628 -1.429 1.00 0.00 C ATOM 299 O HIS A 20 -6.572 5.650 -2.394 1.00 0.00 O ATOM 300 CB HIS A 20 -7.049 7.780 -0.184 1.00 0.00 C ATOM 301 CG HIS A 20 -5.873 8.522 0.375 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.611 8.457 -0.176 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.775 9.352 1.440 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.788 9.215 0.526 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.469 9.769 1.511 1.00 0.00 N ATOM 0 H HIS A 20 -4.911 5.855 -0.517 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.599 5.897 0.684 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.181 8.065 -1.228 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.948 8.093 0.348 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.353 7.909 -0.997 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.575 9.634 2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.736 9.357 0.327 1.00 0.00 H new ATOM 314 N ALA A 21 -8.542 5.074 -1.476 1.00 0.00 N ATOM 315 CA ALA A 21 -9.042 4.446 -2.691 1.00 0.00 C ATOM 316 C ALA A 21 -10.536 4.158 -2.591 1.00 0.00 C ATOM 317 O ALA A 21 -11.022 3.692 -1.560 1.00 0.00 O ATOM 318 CB ALA A 21 -8.275 3.164 -2.976 1.00 0.00 C ATOM 0 H ALA A 21 -9.190 5.047 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.889 5.142 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.659 2.705 -3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.217 3.394 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.398 2.473 -2.142 1.00 0.00 H new ATOM 324 N GLU A 22 -11.257 4.434 -3.671 1.00 0.00 N ATOM 325 CA GLU A 22 -12.696 4.201 -3.711 1.00 0.00 C ATOM 326 C GLU A 22 -12.996 2.834 -4.318 1.00 0.00 C ATOM 327 O GLU A 22 -12.853 2.635 -5.524 1.00 0.00 O ATOM 328 CB GLU A 22 -13.402 5.298 -4.518 1.00 0.00 C ATOM 329 CG GLU A 22 -12.599 6.584 -4.649 1.00 0.00 C ATOM 330 CD GLU A 22 -13.479 7.808 -4.808 1.00 0.00 C ATOM 331 OE1 GLU A 22 -14.536 7.869 -4.146 1.00 0.00 O ATOM 332 OE2 GLU A 22 -13.111 8.706 -5.595 1.00 0.00 O ATOM 0 H GLU A 22 -10.869 4.820 -4.532 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.072 4.225 -2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.623 4.916 -5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.357 5.525 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.969 6.706 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.933 6.506 -5.508 1.00 0.00 H new ATOM 339 N CYS A 23 -13.404 1.892 -3.474 1.00 0.00 N ATOM 340 CA CYS A 23 -13.713 0.542 -3.930 1.00 0.00 C ATOM 341 C CYS A 23 -15.218 0.299 -3.948 1.00 0.00 C ATOM 342 O CYS A 23 -15.935 0.708 -3.034 1.00 0.00 O ATOM 343 CB CYS A 23 -13.027 -0.490 -3.033 1.00 0.00 C ATOM 344 SG CYS A 23 -11.310 -0.091 -2.627 1.00 0.00 S ATOM 0 H CYS A 23 -13.528 2.038 -2.472 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.338 0.437 -4.948 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.595 -0.586 -2.108 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.056 -1.461 -3.527 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.239 1.134 -2.198 1.00 0.00 H new ATOM 350 N GLY A 24 -15.690 -0.370 -4.995 1.00 0.00 N ATOM 351 CA GLY A 24 -17.108 -0.658 -5.114 1.00 0.00 C ATOM 352 C GLY A 24 -17.546 -1.802 -4.221 1.00 0.00 C ATOM 353 O GLY A 24 -16.718 -2.452 -3.583 1.00 0.00 O ATOM 0 H GLY A 24 -15.116 -0.718 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.679 0.235 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.340 -0.902 -6.151 1.00 0.00 H new ATOM 357 N ASN A 25 -18.852 -2.045 -4.173 1.00 0.00 N ATOM 358 CA ASN A 25 -19.400 -3.119 -3.346 1.00 0.00 C ATOM 359 C ASN A 25 -19.988 -4.232 -4.209 1.00 0.00 C ATOM 360 O ASN A 25 -20.050 -5.388 -3.788 1.00 0.00 O ATOM 361 CB ASN A 25 -20.471 -2.582 -2.385 1.00 0.00 C ATOM 362 CG ASN A 25 -20.886 -1.155 -2.693 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.619 -0.237 -1.918 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.544 -0.964 -3.830 1.00 0.00 N ATOM 0 H ASN A 25 -19.550 -1.515 -4.695 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.579 -3.531 -2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.348 -3.227 -2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.092 -2.632 -1.364 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.850 -0.027 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.744 -1.755 -4.443 1.00 0.00 H new ATOM 433 N VAL A 31 -17.305 3.217 -3.060 1.00 0.00 N ATOM 434 CA VAL A 31 -17.230 3.642 -1.667 1.00 0.00 C ATOM 435 C VAL A 31 -15.812 4.056 -1.290 1.00 0.00 C ATOM 436 O VAL A 31 -14.898 3.232 -1.276 1.00 0.00 O ATOM 437 CB VAL A 31 -17.693 2.523 -0.715 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.864 3.061 0.698 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.986 1.896 -1.215 1.00 0.00 C ATOM 0 HA VAL A 31 -17.894 4.500 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.926 1.749 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.191 2.256 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.913 3.457 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.610 3.855 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.297 1.108 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.763 2.658 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.825 1.472 -2.206 1.00 0.00 H new ATOM 449 N GLU A 32 -15.638 5.337 -0.982 1.00 0.00 N ATOM 450 CA GLU A 32 -14.336 5.862 -0.602 1.00 0.00 C ATOM 451 C GLU A 32 -13.850 5.230 0.698 1.00 0.00 C ATOM 452 O GLU A 32 -14.591 5.155 1.679 1.00 0.00 O ATOM 453 CB GLU A 32 -14.411 7.380 -0.449 1.00 0.00 C ATOM 454 CG GLU A 32 -13.092 8.076 -0.717 1.00 0.00 C ATOM 455 CD GLU A 32 -13.195 9.585 -0.612 1.00 0.00 C ATOM 456 OE1 GLU A 32 -13.685 10.076 0.427 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.787 10.276 -1.568 1.00 0.00 O ATOM 0 H GLU A 32 -16.386 6.031 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.624 5.613 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.165 7.770 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.742 7.620 0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.346 7.717 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.740 7.808 -1.713 1.00 0.00 H new ATOM 464 N SER A 33 -12.600 4.780 0.699 1.00 0.00 N ATOM 465 CA SER A 33 -12.012 4.156 1.878 1.00 0.00 C ATOM 466 C SER A 33 -10.538 4.523 2.005 1.00 0.00 C ATOM 467 O SER A 33 -9.931 5.032 1.063 1.00 0.00 O ATOM 468 CB SER A 33 -12.168 2.636 1.810 1.00 0.00 C ATOM 469 OG SER A 33 -13.300 2.273 1.037 1.00 0.00 O ATOM 0 H SER A 33 -11.974 4.836 -0.104 1.00 0.00 H new ATOM 0 HA SER A 33 -12.539 4.527 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.271 2.194 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.267 2.232 2.818 1.00 0.00 H new ATOM 0 HG SER A 33 -13.189 1.358 0.704 1.00 0.00 H new ATOM 475 N THR A 34 -9.967 4.264 3.177 1.00 0.00 N ATOM 476 CA THR A 34 -8.563 4.570 3.425 1.00 0.00 C ATOM 477 C THR A 34 -7.956 3.584 4.416 1.00 0.00 C ATOM 478 O THR A 34 -8.634 3.100 5.323 1.00 0.00 O ATOM 479 CB THR A 34 -8.418 5.999 3.952 1.00 0.00 C ATOM 480 OG1 THR A 34 -9.081 6.145 5.195 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.974 7.044 3.009 1.00 0.00 C ATOM 0 H THR A 34 -10.454 3.844 3.969 1.00 0.00 H new ATOM 0 HA THR A 34 -8.025 4.482 2.481 1.00 0.00 H new ATOM 0 HB THR A 34 -7.345 6.161 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.975 7.065 5.516 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.839 8.035 3.443 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.448 6.991 2.056 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.036 6.860 2.848 1.00 0.00 H new ATOM 489 N LEU A 35 -6.672 3.290 4.236 1.00 0.00 N ATOM 490 CA LEU A 35 -5.968 2.361 5.111 1.00 0.00 C ATOM 491 C LEU A 35 -4.624 2.936 5.544 1.00 0.00 C ATOM 492 O LEU A 35 -3.915 3.551 4.747 1.00 0.00 O ATOM 493 CB LEU A 35 -5.755 1.022 4.401 1.00 0.00 C ATOM 494 CG LEU A 35 -5.569 -0.181 5.330 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.822 -1.042 5.348 1.00 0.00 C ATOM 496 CD2 LEU A 35 -4.362 -1.004 4.903 1.00 0.00 C ATOM 0 H LEU A 35 -6.098 3.683 3.490 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.580 2.202 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.610 0.832 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.879 1.104 3.758 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.393 0.190 6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.670 -1.892 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.665 -0.450 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.030 -1.403 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.246 -1.855 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.509 -1.363 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.466 -0.384 4.944 1.00 0.00 H new ATOM 508 N ASP A 36 -4.277 2.729 6.810 1.00 0.00 N ATOM 509 CA ASP A 36 -3.017 3.224 7.346 1.00 0.00 C ATOM 510 C ASP A 36 -1.943 2.148 7.269 1.00 0.00 C ATOM 511 O ASP A 36 -2.117 1.042 7.770 1.00 0.00 O ATOM 512 CB ASP A 36 -3.198 3.684 8.794 1.00 0.00 C ATOM 513 CG ASP A 36 -2.478 4.987 9.080 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.403 5.214 8.485 1.00 0.00 O ATOM 515 OD2 ASP A 36 -2.988 5.780 9.899 1.00 0.00 O ATOM 0 H ASP A 36 -4.852 2.222 7.483 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.700 4.075 6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.261 3.806 9.004 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.827 2.911 9.467 1.00 0.00 H new ATOM 520 N LEU A 37 -0.836 2.478 6.625 1.00 0.00 N ATOM 521 CA LEU A 37 0.272 1.544 6.480 1.00 0.00 C ATOM 522 C LEU A 37 1.223 1.652 7.658 1.00 0.00 C ATOM 523 O LEU A 37 1.899 0.688 8.018 1.00 0.00 O ATOM 524 CB LEU A 37 1.017 1.809 5.188 1.00 0.00 C ATOM 525 CG LEU A 37 0.126 2.241 4.035 1.00 0.00 C ATOM 526 CD1 LEU A 37 0.775 3.377 3.281 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.168 1.057 3.134 1.00 0.00 C ATOM 0 H LEU A 37 -0.679 3.388 6.192 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.135 0.533 6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.765 2.582 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.554 0.906 4.899 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.826 2.603 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.131 3.681 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.926 4.221 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.738 3.050 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.807 1.376 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.767 0.662 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.675 0.281 3.707 1.00 0.00 H new ATOM 539 N ASP A 38 1.265 2.837 8.261 1.00 0.00 N ATOM 540 CA ASP A 38 2.128 3.077 9.407 1.00 0.00 C ATOM 541 C ASP A 38 1.813 2.098 10.532 1.00 0.00 C ATOM 542 O ASP A 38 2.572 1.978 11.494 1.00 0.00 O ATOM 543 CB ASP A 38 1.968 4.515 9.905 1.00 0.00 C ATOM 544 CG ASP A 38 2.911 4.841 11.046 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.120 4.555 10.917 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.441 5.382 12.069 1.00 0.00 O ATOM 0 H ASP A 38 0.711 3.644 7.973 1.00 0.00 H new ATOM 0 HA ASP A 38 3.161 2.926 9.092 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.149 5.204 9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.940 4.671 10.231 1.00 0.00 H new ATOM 551 N TYR A 39 0.690 1.395 10.406 1.00 0.00 N ATOM 552 CA TYR A 39 0.288 0.424 11.419 1.00 0.00 C ATOM 553 C TYR A 39 -0.042 -0.936 10.796 1.00 0.00 C ATOM 554 O TYR A 39 -0.445 -1.864 11.497 1.00 0.00 O ATOM 555 CB TYR A 39 -0.903 0.963 12.225 1.00 0.00 C ATOM 556 CG TYR A 39 -2.261 0.562 11.689 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.542 0.641 10.333 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.260 0.109 12.541 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.781 0.281 9.838 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.502 -0.254 12.055 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.757 -0.166 10.703 1.00 0.00 C ATOM 562 OH TYR A 39 -5.992 -0.526 10.214 1.00 0.00 O ATOM 0 H TYR A 39 0.047 1.479 9.619 1.00 0.00 H new ATOM 0 HA TYR A 39 1.129 0.273 12.096 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.816 0.614 13.254 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.844 2.051 12.251 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.779 0.990 9.652 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.063 0.039 13.601 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.984 0.349 8.779 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.268 -0.605 12.731 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.948 -1.435 9.851 1.00 0.00 H new ATOM 572 N TYR A 40 0.135 -1.050 9.481 1.00 0.00 N ATOM 573 CA TYR A 40 -0.142 -2.299 8.778 1.00 0.00 C ATOM 574 C TYR A 40 1.121 -2.856 8.122 1.00 0.00 C ATOM 575 O TYR A 40 1.231 -4.060 7.896 1.00 0.00 O ATOM 576 CB TYR A 40 -1.230 -2.084 7.722 1.00 0.00 C ATOM 577 CG TYR A 40 -2.594 -2.592 8.138 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.990 -2.575 9.471 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.486 -3.089 7.196 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.236 -3.038 9.851 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.733 -3.554 7.569 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.103 -3.526 8.897 1.00 0.00 C ATOM 583 OH TYR A 40 -6.343 -3.989 9.272 1.00 0.00 O ATOM 0 H TYR A 40 0.468 -0.294 8.883 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.494 -3.025 9.511 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.302 -1.019 7.499 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.932 -2.583 6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.313 -2.194 10.221 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.200 -3.112 6.155 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.529 -3.017 10.890 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.414 -3.937 6.824 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.831 -4.297 8.480 1.00 0.00 H new ATOM 593 N ILE A 41 2.071 -1.975 7.816 1.00 0.00 N ATOM 594 CA ILE A 41 3.320 -2.386 7.186 1.00 0.00 C ATOM 595 C ILE A 41 4.525 -1.953 8.019 1.00 0.00 C ATOM 596 O ILE A 41 4.514 -0.889 8.638 1.00 0.00 O ATOM 597 CB ILE A 41 3.447 -1.804 5.762 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.365 -2.389 4.855 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.830 -2.080 5.184 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.852 -1.414 3.821 1.00 0.00 C ATOM 0 H ILE A 41 1.998 -0.973 7.995 1.00 0.00 H new ATOM 0 HA ILE A 41 3.303 -3.474 7.123 1.00 0.00 H new ATOM 0 HB ILE A 41 3.313 -0.724 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.763 -3.268 4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.531 -2.727 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.895 -1.660 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.588 -1.621 5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.997 -3.156 5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.087 -1.897 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.423 -0.546 4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.675 -1.095 3.182 1.00 0.00 H new ATOM 612 N GLY A 42 5.561 -2.785 8.026 1.00 0.00 N ATOM 613 CA GLY A 42 6.760 -2.473 8.783 1.00 0.00 C ATOM 614 C GLY A 42 8.026 -2.655 7.969 1.00 0.00 C ATOM 615 O GLY A 42 7.973 -3.061 6.808 1.00 0.00 O ATOM 0 H GLY A 42 5.592 -3.671 7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.705 -1.443 9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.805 -3.111 9.665 1.00 0.00 H new ATOM 619 N ASN A 43 9.167 -2.353 8.579 1.00 0.00 N ATOM 620 CA ASN A 43 10.454 -2.485 7.906 1.00 0.00 C ATOM 621 C ASN A 43 11.178 -3.749 8.358 1.00 0.00 C ATOM 622 O ASN A 43 11.624 -3.847 9.501 1.00 0.00 O ATOM 623 CB ASN A 43 11.324 -1.257 8.183 1.00 0.00 C ATOM 624 CG ASN A 43 12.662 -1.320 7.473 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.063 -2.370 6.970 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.361 -0.193 7.427 1.00 0.00 N ATOM 0 H ASN A 43 9.227 -2.015 9.539 1.00 0.00 H new ATOM 0 HA ASN A 43 10.270 -2.558 6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.791 -0.360 7.868 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.490 -1.168 9.257 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.268 -0.174 6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.991 0.655 7.857 1.00 0.00 H new ATOM 633 N ASP A 44 11.293 -4.714 7.451 1.00 0.00 N ATOM 634 CA ASP A 44 11.965 -5.973 7.754 1.00 0.00 C ATOM 635 C ASP A 44 13.268 -6.096 6.971 1.00 0.00 C ATOM 636 O ASP A 44 13.266 -6.478 5.801 1.00 0.00 O ATOM 637 CB ASP A 44 11.050 -7.154 7.430 1.00 0.00 C ATOM 638 CG ASP A 44 11.590 -8.467 7.963 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.801 -8.722 7.798 1.00 0.00 O ATOM 640 OD2 ASP A 44 10.801 -9.241 8.545 1.00 0.00 O ATOM 0 H ASP A 44 10.930 -4.648 6.500 1.00 0.00 H new ATOM 0 HA ASP A 44 12.199 -5.984 8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.062 -6.972 7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.925 -7.227 6.350 1.00 0.00 H new ATOM 645 N ASP A 45 14.380 -5.773 7.624 1.00 0.00 N ATOM 646 CA ASP A 45 15.690 -5.850 6.986 1.00 0.00 C ATOM 647 C ASP A 45 15.742 -4.968 5.742 1.00 0.00 C ATOM 648 O ASP A 45 16.133 -5.417 4.664 1.00 0.00 O ATOM 649 CB ASP A 45 16.010 -7.298 6.613 1.00 0.00 C ATOM 650 CG ASP A 45 17.427 -7.464 6.100 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.326 -6.754 6.599 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.639 -8.304 5.200 1.00 0.00 O ATOM 0 H ASP A 45 14.400 -5.456 8.593 1.00 0.00 H new ATOM 0 HA ASP A 45 16.436 -5.490 7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.866 -7.935 7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.309 -7.637 5.851 1.00 0.00 H new ATOM 657 N GLY A 46 15.344 -3.710 5.899 1.00 0.00 N ATOM 658 CA GLY A 46 15.351 -2.787 4.780 1.00 0.00 C ATOM 659 C GLY A 46 14.347 -3.165 3.707 1.00 0.00 C ATOM 660 O GLY A 46 14.438 -2.698 2.572 1.00 0.00 O ATOM 0 H GLY A 46 15.017 -3.314 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 46 15.131 -1.782 5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.350 -2.757 4.344 1.00 0.00 H new ATOM 664 N SER A 47 13.386 -4.014 4.065 1.00 0.00 N ATOM 665 CA SER A 47 12.364 -4.451 3.121 1.00 0.00 C ATOM 666 C SER A 47 10.967 -4.249 3.700 1.00 0.00 C ATOM 667 O SER A 47 10.804 -4.070 4.907 1.00 0.00 O ATOM 668 CB SER A 47 12.571 -5.923 2.759 1.00 0.00 C ATOM 669 OG SER A 47 13.842 -6.130 2.168 1.00 0.00 O ATOM 0 H SER A 47 13.295 -4.411 5.000 1.00 0.00 H new ATOM 0 HA SER A 47 12.455 -3.846 2.219 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.479 -6.537 3.655 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.790 -6.244 2.070 1.00 0.00 H new ATOM 0 HG SER A 47 13.950 -7.079 1.948 1.00 0.00 H new ATOM 675 N PHE A 48 9.963 -4.278 2.830 1.00 0.00 N ATOM 676 CA PHE A 48 8.579 -4.097 3.253 1.00 0.00 C ATOM 677 C PHE A 48 8.005 -5.398 3.806 1.00 0.00 C ATOM 678 O PHE A 48 8.300 -6.482 3.301 1.00 0.00 O ATOM 679 CB PHE A 48 7.727 -3.609 2.081 1.00 0.00 C ATOM 680 CG PHE A 48 7.951 -2.164 1.734 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.860 -1.182 2.707 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.251 -1.788 0.434 1.00 0.00 C ATOM 683 CE1 PHE A 48 8.064 0.148 2.391 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.456 -0.460 0.111 1.00 0.00 C ATOM 685 CZ PHE A 48 8.362 0.509 1.091 1.00 0.00 C ATOM 0 H PHE A 48 10.082 -4.425 1.828 1.00 0.00 H new ATOM 0 HA PHE A 48 8.561 -3.347 4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.943 -4.222 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.674 -3.757 2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.627 -1.459 3.725 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.325 -2.542 -0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.991 0.904 3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.689 -0.180 -0.906 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.521 1.548 0.841 1.00 0.00 H new ATOM 695 N SER A 49 7.185 -5.285 4.846 1.00 0.00 N ATOM 696 CA SER A 49 6.571 -6.454 5.465 1.00 0.00 C ATOM 697 C SER A 49 5.069 -6.254 5.642 1.00 0.00 C ATOM 698 O SER A 49 4.630 -5.279 6.251 1.00 0.00 O ATOM 699 CB SER A 49 7.221 -6.739 6.820 1.00 0.00 C ATOM 700 OG SER A 49 7.176 -5.598 7.659 1.00 0.00 O ATOM 0 H SER A 49 6.931 -4.396 5.277 1.00 0.00 H new ATOM 0 HA SER A 49 6.729 -7.307 4.805 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.709 -7.570 7.304 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.257 -7.045 6.673 1.00 0.00 H new ATOM 0 HG SER A 49 7.597 -5.808 8.519 1.00 0.00 H new ATOM 706 N TRP A 50 4.285 -7.186 5.108 1.00 0.00 N ATOM 707 CA TRP A 50 2.834 -7.114 5.209 1.00 0.00 C ATOM 708 C TRP A 50 2.372 -7.480 6.615 1.00 0.00 C ATOM 709 O TRP A 50 2.596 -8.597 7.082 1.00 0.00 O ATOM 710 CB TRP A 50 2.186 -8.048 4.185 1.00 0.00 C ATOM 711 CG TRP A 50 2.032 -7.430 2.829 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.579 -7.874 1.659 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.284 -6.254 2.501 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.216 -7.046 0.625 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.421 -6.044 1.116 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.510 -5.357 3.244 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.814 -4.977 0.460 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.092 -4.298 2.591 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.063 -4.116 1.211 1.00 0.00 C ATOM 0 H TRP A 50 4.632 -8.000 4.601 1.00 0.00 H new ATOM 0 HA TRP A 50 2.527 -6.089 5.000 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.788 -8.953 4.098 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.205 -8.352 4.551 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.205 -8.748 1.561 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.493 -7.159 -0.350 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.385 -5.489 4.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.932 -4.834 -0.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.692 -3.599 3.154 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.421 -3.278 0.730 1.00 0.00 H new ATOM 730 N GLY A 51 1.729 -6.531 7.285 1.00 0.00 N ATOM 731 CA GLY A 51 1.250 -6.770 8.633 1.00 0.00 C ATOM 732 C GLY A 51 2.145 -6.148 9.689 1.00 0.00 C ATOM 733 O GLY A 51 2.014 -6.448 10.876 1.00 0.00 O ATOM 0 H GLY A 51 1.531 -5.600 6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.242 -6.367 8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.183 -7.844 8.806 1.00 0.00 H new ATOM 737 N GLY A 52 3.054 -5.277 9.260 1.00 0.00 N ATOM 738 CA GLY A 52 3.954 -4.625 10.193 1.00 0.00 C ATOM 739 C GLY A 52 3.443 -3.267 10.628 1.00 0.00 C ATOM 740 O GLY A 52 2.234 -3.054 10.723 1.00 0.00 O ATOM 0 H GLY A 52 3.183 -5.012 8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.087 -5.259 11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.934 -4.511 9.730 1.00 0.00 H new ATOM 744 N GLU A 53 4.362 -2.345 10.893 1.00 0.00 N ATOM 745 CA GLU A 53 3.990 -1.001 11.320 1.00 0.00 C ATOM 746 C GLU A 53 5.223 -0.134 11.551 1.00 0.00 C ATOM 747 O GLU A 53 6.314 -0.643 11.810 1.00 0.00 O ATOM 748 CB GLU A 53 3.148 -1.066 12.595 1.00 0.00 C ATOM 749 CG GLU A 53 3.708 -2.005 13.653 1.00 0.00 C ATOM 750 CD GLU A 53 2.622 -2.753 14.401 1.00 0.00 C ATOM 751 OE1 GLU A 53 1.643 -2.106 14.829 1.00 0.00 O ATOM 752 OE2 GLU A 53 2.751 -3.985 14.558 1.00 0.00 O ATOM 0 H GLU A 53 5.367 -2.503 10.820 1.00 0.00 H new ATOM 0 HA GLU A 53 3.400 -0.546 10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.067 -0.064 13.017 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.138 -1.385 12.337 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.378 -2.722 13.179 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.305 -1.432 14.363 1.00 0.00 H new ATOM 759 N ASN A 54 5.039 1.179 11.456 1.00 0.00 N ATOM 760 CA ASN A 54 6.131 2.126 11.654 1.00 0.00 C ATOM 761 C ASN A 54 7.212 1.946 10.594 1.00 0.00 C ATOM 762 O ASN A 54 8.387 2.217 10.840 1.00 0.00 O ATOM 763 CB ASN A 54 6.732 1.959 13.050 1.00 0.00 C ATOM 764 CG ASN A 54 5.708 2.178 14.147 1.00 0.00 C ATOM 765 OD1 ASN A 54 4.945 1.137 14.458 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.606 3.268 14.709 1.00 0.00 N flip ATOM 0 H ASN A 54 4.141 1.613 11.242 1.00 0.00 H new ATOM 0 HA ASN A 54 5.725 3.133 11.560 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.154 0.958 13.144 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.553 2.664 13.176 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.214 4.041 14.437 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.914 3.399 15.447 1.00 0.00 H new ATOM 773 N PHE A 55 6.807 1.491 9.413 1.00 0.00 N ATOM 774 CA PHE A 55 7.743 1.280 8.315 1.00 0.00 C ATOM 775 C PHE A 55 8.428 2.589 7.929 1.00 0.00 C ATOM 776 O PHE A 55 9.623 2.614 7.636 1.00 0.00 O ATOM 777 CB PHE A 55 7.015 0.687 7.103 1.00 0.00 C ATOM 778 CG PHE A 55 6.181 1.686 6.349 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.931 2.059 6.817 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.649 2.253 5.175 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.164 2.979 6.127 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.887 3.173 4.480 1.00 0.00 C ATOM 783 CZ PHE A 55 4.643 3.537 4.957 1.00 0.00 C ATOM 0 H PHE A 55 5.838 1.262 9.192 1.00 0.00 H new ATOM 0 HA PHE A 55 8.507 0.577 8.647 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.751 0.255 6.424 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.374 -0.128 7.439 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.552 1.626 7.731 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.621 1.973 4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.191 3.261 6.502 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.264 3.607 3.565 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.046 4.256 4.417 1.00 0.00 H new ATOM 793 N SER A 56 7.658 3.673 7.932 1.00 0.00 N ATOM 794 CA SER A 56 8.184 4.987 7.582 1.00 0.00 C ATOM 795 C SER A 56 9.115 5.514 8.670 1.00 0.00 C ATOM 796 O SER A 56 9.985 6.344 8.406 1.00 0.00 O ATOM 797 CB SER A 56 7.037 5.973 7.356 1.00 0.00 C ATOM 798 OG SER A 56 7.524 7.294 7.192 1.00 0.00 O ATOM 0 H SER A 56 6.667 3.667 8.173 1.00 0.00 H new ATOM 0 HA SER A 56 8.757 4.885 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.470 5.679 6.473 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.351 5.938 8.202 1.00 0.00 H new ATOM 0 HG SER A 56 6.771 7.905 7.048 1.00 0.00 H new ATOM 804 N GLY A 57 8.927 5.029 9.894 1.00 0.00 N ATOM 805 CA GLY A 57 9.758 5.465 11.003 1.00 0.00 C ATOM 806 C GLY A 57 11.241 5.360 10.700 1.00 0.00 C ATOM 807 O GLY A 57 12.053 6.081 11.281 1.00 0.00 O ATOM 0 H GLY A 57 8.214 4.342 10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.514 6.498 11.250 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.528 4.864 11.883 1.00 0.00 H new ATOM 811 N SER A 58 11.596 4.459 9.790 1.00 0.00 N ATOM 812 CA SER A 58 12.990 4.262 9.412 1.00 0.00 C ATOM 813 C SER A 58 13.153 4.274 7.895 1.00 0.00 C ATOM 814 O SER A 58 14.044 3.620 7.353 1.00 0.00 O ATOM 815 CB SER A 58 13.513 2.943 9.982 1.00 0.00 C ATOM 816 OG SER A 58 12.822 2.590 11.168 1.00 0.00 O ATOM 0 H SER A 58 10.937 3.854 9.301 1.00 0.00 H new ATOM 0 HA SER A 58 13.571 5.086 9.827 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.398 2.152 9.241 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.579 3.031 10.191 1.00 0.00 H new ATOM 0 HG SER A 58 13.174 1.742 11.512 1.00 0.00 H new ATOM 822 N ALA A 59 12.289 5.021 7.216 1.00 0.00 N ATOM 823 CA ALA A 59 12.341 5.117 5.762 1.00 0.00 C ATOM 824 C ALA A 59 12.368 6.573 5.309 1.00 0.00 C ATOM 825 O ALA A 59 12.117 7.483 6.098 1.00 0.00 O ATOM 826 CB ALA A 59 11.157 4.387 5.143 1.00 0.00 C ATOM 0 H ALA A 59 11.545 5.568 7.649 1.00 0.00 H new ATOM 0 HA ALA A 59 13.262 4.643 5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.208 4.466 4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.186 3.336 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.228 4.835 5.496 1.00 0.00 H new ATOM 832 N SER A 60 12.674 6.785 4.033 1.00 0.00 N ATOM 833 CA SER A 60 12.734 8.131 3.476 1.00 0.00 C ATOM 834 C SER A 60 12.079 8.181 2.099 1.00 0.00 C ATOM 835 O SER A 60 12.005 7.170 1.401 1.00 0.00 O ATOM 836 CB SER A 60 14.186 8.601 3.380 1.00 0.00 C ATOM 837 OG SER A 60 14.593 9.250 4.572 1.00 0.00 O ATOM 0 H SER A 60 12.884 6.042 3.366 1.00 0.00 H new ATOM 0 HA SER A 60 12.187 8.797 4.143 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.836 7.747 3.187 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.296 9.282 2.536 1.00 0.00 H new ATOM 0 HG SER A 60 15.525 9.539 4.485 1.00 0.00 H new ATOM 843 N ASN A 61 11.609 9.369 1.717 1.00 0.00 N ATOM 844 CA ASN A 61 10.956 9.575 0.422 1.00 0.00 C ATOM 845 C ASN A 61 10.055 8.398 0.051 1.00 0.00 C ATOM 846 O ASN A 61 10.296 7.704 -0.938 1.00 0.00 O ATOM 847 CB ASN A 61 12.000 9.804 -0.676 1.00 0.00 C ATOM 848 CG ASN A 61 13.191 8.873 -0.555 1.00 0.00 C ATOM 849 OD1 ASN A 61 14.272 9.281 -0.130 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.998 7.615 -0.930 1.00 0.00 N ATOM 0 H ASN A 61 11.669 10.210 2.291 1.00 0.00 H new ATOM 0 HA ASN A 61 10.330 10.463 0.510 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.533 9.664 -1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.346 10.837 -0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.763 6.942 -0.872 1.00 0.00 H new ATOM 0 HD22 ASN A 61 12.085 7.320 -1.276 1.00 0.00 H new ATOM 857 N ILE A 62 9.017 8.179 0.851 1.00 0.00 N ATOM 858 CA ILE A 62 8.081 7.088 0.608 1.00 0.00 C ATOM 859 C ILE A 62 6.927 7.545 -0.278 1.00 0.00 C ATOM 860 O ILE A 62 6.130 8.397 0.113 1.00 0.00 O ATOM 861 CB ILE A 62 7.511 6.524 1.927 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.597 6.474 3.005 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.918 5.141 1.701 1.00 0.00 C ATOM 864 CD1 ILE A 62 8.105 5.944 4.334 1.00 0.00 C ATOM 0 H ILE A 62 8.803 8.743 1.674 1.00 0.00 H new ATOM 0 HA ILE A 62 8.639 6.301 0.101 1.00 0.00 H new ATOM 0 HB ILE A 62 6.718 7.188 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.417 5.848 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.001 7.476 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.521 4.758 2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.115 5.205 0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.693 4.468 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.927 5.937 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.305 6.583 4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.728 4.930 4.204 1.00 0.00 H new ATOM 876 N THR A 63 6.847 6.974 -1.476 1.00 0.00 N ATOM 877 CA THR A 63 5.792 7.325 -2.422 1.00 0.00 C ATOM 878 C THR A 63 5.290 6.091 -3.165 1.00 0.00 C ATOM 879 O THR A 63 5.975 5.070 -3.228 1.00 0.00 O ATOM 880 CB THR A 63 6.302 8.363 -3.424 1.00 0.00 C ATOM 881 OG1 THR A 63 7.686 8.186 -3.668 1.00 0.00 O ATOM 882 CG2 THR A 63 6.095 9.790 -2.966 1.00 0.00 C ATOM 0 H THR A 63 7.499 6.267 -1.815 1.00 0.00 H new ATOM 0 HA THR A 63 4.961 7.749 -1.858 1.00 0.00 H new ATOM 0 HB THR A 63 5.717 8.202 -4.330 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.993 8.858 -4.312 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.479 10.474 -3.723 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.031 9.974 -2.817 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.626 9.952 -2.028 1.00 0.00 H new ATOM 890 N LEU A 64 4.089 6.193 -3.726 1.00 0.00 N ATOM 891 CA LEU A 64 3.493 5.085 -4.466 1.00 0.00 C ATOM 892 C LEU A 64 3.549 5.340 -5.969 1.00 0.00 C ATOM 893 O LEU A 64 3.154 6.405 -6.444 1.00 0.00 O ATOM 894 CB LEU A 64 2.043 4.874 -4.027 1.00 0.00 C ATOM 895 CG LEU A 64 1.382 3.603 -4.563 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.788 2.398 -3.729 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.131 3.757 -4.581 1.00 0.00 C ATOM 0 H LEU A 64 3.509 7.031 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 64 4.067 4.185 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.009 4.851 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.454 5.734 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 64 1.723 3.442 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.308 1.503 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.871 2.277 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.477 2.549 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.585 2.844 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.490 3.943 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.404 4.595 -5.222 1.00 0.00 H new ATOM 909 N ASP A 65 4.043 4.355 -6.713 1.00 0.00 N ATOM 910 CA ASP A 65 4.153 4.470 -8.163 1.00 0.00 C ATOM 911 C ASP A 65 3.516 3.268 -8.856 1.00 0.00 C ATOM 912 O ASP A 65 3.433 2.182 -8.284 1.00 0.00 O ATOM 913 CB ASP A 65 5.621 4.594 -8.576 1.00 0.00 C ATOM 914 CG ASP A 65 6.058 6.037 -8.730 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.276 6.839 -9.284 1.00 0.00 O ATOM 916 OD2 ASP A 65 7.182 6.366 -8.297 1.00 0.00 O ATOM 0 H ASP A 65 4.374 3.467 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 65 3.619 5.368 -8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.248 4.105 -7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.776 4.068 -9.518 1.00 0.00 H new ATOM 921 N ILE A 66 3.070 3.471 -10.092 1.00 0.00 N ATOM 922 CA ILE A 66 2.445 2.408 -10.865 1.00 0.00 C ATOM 923 C ILE A 66 3.501 1.561 -11.572 1.00 0.00 C ATOM 924 O ILE A 66 4.526 2.075 -12.021 1.00 0.00 O ATOM 925 CB ILE A 66 1.455 2.989 -11.902 1.00 0.00 C ATOM 926 CG1 ILE A 66 0.125 3.338 -11.227 1.00 0.00 C ATOM 927 CG2 ILE A 66 1.231 2.019 -13.055 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.697 2.127 -10.839 1.00 0.00 C ATOM 0 H ILE A 66 3.131 4.365 -10.579 1.00 0.00 H new ATOM 0 HA ILE A 66 1.892 1.774 -10.172 1.00 0.00 H new ATOM 0 HB ILE A 66 1.891 3.900 -12.313 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.325 3.931 -10.335 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.461 3.963 -11.901 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.531 2.456 -13.767 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.180 1.821 -13.554 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.822 1.085 -12.670 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.624 2.453 -10.367 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.929 1.544 -11.730 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.131 1.511 -10.140 1.00 0.00 H new ATOM 940 N GLU A 67 3.242 0.261 -11.667 1.00 0.00 N ATOM 941 CA GLU A 67 4.168 -0.658 -12.318 1.00 0.00 C ATOM 942 C GLU A 67 3.419 -1.644 -13.208 1.00 0.00 C ATOM 943 O GLU A 67 2.302 -2.055 -12.894 1.00 0.00 O ATOM 944 CB GLU A 67 4.986 -1.416 -11.271 1.00 0.00 C ATOM 945 CG GLU A 67 5.994 -2.385 -11.869 1.00 0.00 C ATOM 946 CD GLU A 67 5.577 -3.834 -11.708 1.00 0.00 C ATOM 947 OE1 GLU A 67 4.806 -4.327 -12.558 1.00 0.00 O ATOM 948 OE2 GLU A 67 6.022 -4.475 -10.733 1.00 0.00 O ATOM 0 H GLU A 67 2.398 -0.180 -11.301 1.00 0.00 H new ATOM 0 HA GLU A 67 4.843 -0.074 -12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.514 -0.697 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.307 -1.967 -10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.121 -2.163 -12.929 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.963 -2.235 -11.393 1.00 0.00 H new ATOM 955 N GLY A 68 4.042 -2.021 -14.320 1.00 0.00 N ATOM 956 CA GLY A 68 3.420 -2.956 -15.238 1.00 0.00 C ATOM 957 C GLY A 68 2.299 -2.325 -16.040 1.00 0.00 C ATOM 958 O GLY A 68 1.824 -1.239 -15.707 1.00 0.00 O ATOM 0 H GLY A 68 4.967 -1.695 -14.601 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.175 -3.347 -15.920 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.028 -3.804 -14.677 1.00 0.00 H new ATOM 962 N ASP A 69 1.877 -3.006 -17.100 1.00 0.00 N ATOM 963 CA ASP A 69 0.804 -2.506 -17.953 1.00 0.00 C ATOM 964 C ASP A 69 -0.564 -2.694 -17.297 1.00 0.00 C ATOM 965 O ASP A 69 -1.576 -2.220 -17.812 1.00 0.00 O ATOM 966 CB ASP A 69 0.832 -3.217 -19.308 1.00 0.00 C ATOM 967 CG ASP A 69 0.199 -2.388 -20.408 1.00 0.00 C ATOM 968 OD1 ASP A 69 0.400 -1.155 -20.414 1.00 0.00 O ATOM 969 OD2 ASP A 69 -0.499 -2.971 -21.265 1.00 0.00 O ATOM 0 H ASP A 69 2.261 -3.905 -17.389 1.00 0.00 H new ATOM 0 HA ASP A 69 0.966 -1.438 -18.100 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.864 -3.443 -19.575 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.308 -4.169 -19.227 1.00 0.00 H new ATOM 974 N ASP A 70 -0.590 -3.386 -16.160 1.00 0.00 N ATOM 975 CA ASP A 70 -1.838 -3.630 -15.444 1.00 0.00 C ATOM 976 C ASP A 70 -2.146 -2.497 -14.467 1.00 0.00 C ATOM 977 O ASP A 70 -3.242 -2.431 -13.909 1.00 0.00 O ATOM 978 CB ASP A 70 -1.765 -4.960 -14.693 1.00 0.00 C ATOM 979 CG ASP A 70 -2.298 -6.118 -15.514 1.00 0.00 C ATOM 980 OD1 ASP A 70 -3.523 -6.160 -15.755 1.00 0.00 O ATOM 981 OD2 ASP A 70 -1.491 -6.982 -15.917 1.00 0.00 O ATOM 0 H ASP A 70 0.237 -3.786 -15.717 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.642 -3.675 -16.178 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.730 -5.161 -14.415 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.334 -4.883 -13.767 1.00 0.00 H new ATOM 986 N ASN A 71 -1.176 -1.608 -14.259 1.00 0.00 N ATOM 987 CA ASN A 71 -1.349 -0.484 -13.347 1.00 0.00 C ATOM 988 C ASN A 71 -1.489 -0.968 -11.912 1.00 0.00 C ATOM 989 O ASN A 71 -2.580 -0.959 -11.342 1.00 0.00 O ATOM 990 CB ASN A 71 -2.572 0.348 -13.741 1.00 0.00 C ATOM 991 CG ASN A 71 -2.542 0.766 -15.197 1.00 0.00 C ATOM 992 OD1 ASN A 71 -3.145 -0.045 -16.058 1.00 0.00 O flip ATOM 993 ND2 ASN A 71 -1.985 1.807 -15.545 1.00 0.00 N flip ATOM 0 H ASN A 71 -0.262 -1.646 -14.711 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.461 0.144 -13.417 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.477 -0.229 -13.550 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.621 1.237 -13.112 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.534 2.401 -14.849 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.975 2.076 -16.529 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.373 -1.391 -11.334 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.364 -1.881 -9.964 1.00 0.00 C ATOM 1002 C ILE A 72 0.315 -0.880 -9.030 1.00 0.00 C ATOM 1003 O ILE A 72 1.494 -0.567 -9.200 1.00 0.00 O ATOM 1004 CB ILE A 72 0.356 -3.239 -9.850 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.198 -4.049 -11.140 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.189 -4.017 -8.666 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.235 -4.429 -11.443 1.00 0.00 C ATOM 0 H ILE A 72 0.538 -1.404 -11.793 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.406 -2.008 -9.669 1.00 0.00 H new ATOM 0 HB ILE A 72 1.419 -3.056 -9.694 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.596 -3.471 -11.974 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.798 -4.956 -11.066 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.325 -4.975 -8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.027 -3.447 -7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.257 -4.188 -8.803 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.272 -5.001 -12.370 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.631 -5.034 -10.628 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.836 -3.526 -11.550 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.416 -0.362 -8.026 1.00 0.00 N ATOM 1020 CA PRO A 73 0.134 0.606 -7.070 1.00 0.00 C ATOM 1021 C PRO A 73 1.280 0.019 -6.254 1.00 0.00 C ATOM 1022 O PRO A 73 1.059 -0.747 -5.316 1.00 0.00 O ATOM 1023 CB PRO A 73 -1.055 0.939 -6.161 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.999 -0.202 -6.326 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.827 -0.675 -7.740 1.00 0.00 C ATOM 0 HA PRO A 73 0.554 1.478 -7.572 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.741 1.044 -5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.521 1.881 -6.450 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.776 -0.999 -5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.027 0.111 -6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.031 -1.741 -7.836 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.501 -0.158 -8.423 1.00 0.00 H new ATOM 1033 N VAL A 74 2.505 0.380 -6.619 1.00 0.00 N ATOM 1034 CA VAL A 74 3.686 -0.114 -5.922 1.00 0.00 C ATOM 1035 C VAL A 74 4.321 0.974 -5.065 1.00 0.00 C ATOM 1036 O VAL A 74 4.634 2.060 -5.552 1.00 0.00 O ATOM 1037 CB VAL A 74 4.739 -0.652 -6.910 1.00 0.00 C ATOM 1038 CG1 VAL A 74 5.866 -1.348 -6.163 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.095 -1.594 -7.916 1.00 0.00 C ATOM 0 H VAL A 74 2.706 1.013 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 74 3.351 -0.927 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 74 5.163 0.191 -7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.600 -1.721 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.345 -0.641 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.462 -2.182 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.854 -1.964 -8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.642 -2.434 -7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.327 -1.060 -8.475 1.00 0.00 H new ATOM 1049 N LEU A 75 4.512 0.672 -3.785 1.00 0.00 N ATOM 1050 CA LEU A 75 5.114 1.622 -2.857 1.00 0.00 C ATOM 1051 C LEU A 75 6.625 1.425 -2.790 1.00 0.00 C ATOM 1052 O LEU A 75 7.105 0.370 -2.377 1.00 0.00 O ATOM 1053 CB LEU A 75 4.502 1.464 -1.463 1.00 0.00 C ATOM 1054 CG LEU A 75 5.098 2.370 -0.384 1.00 0.00 C ATOM 1055 CD1 LEU A 75 5.115 3.818 -0.850 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.315 2.235 0.914 1.00 0.00 C ATOM 0 H LEU A 75 4.259 -0.223 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 75 4.911 2.630 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.432 1.660 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.617 0.427 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 75 6.126 2.058 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.542 4.447 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.718 3.902 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.097 4.144 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.752 2.886 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.277 2.521 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.355 1.201 1.257 1.00 0.00 H new ATOM 1068 N ARG A 76 7.367 2.447 -3.202 1.00 0.00 N ATOM 1069 CA ARG A 76 8.825 2.388 -3.194 1.00 0.00 C ATOM 1070 C ARG A 76 9.409 3.438 -2.255 1.00 0.00 C ATOM 1071 O ARG A 76 9.022 4.606 -2.296 1.00 0.00 O ATOM 1072 CB ARG A 76 9.370 2.592 -4.608 1.00 0.00 C ATOM 1073 CG ARG A 76 9.475 1.306 -5.411 1.00 0.00 C ATOM 1074 CD ARG A 76 9.601 1.587 -6.900 1.00 0.00 C ATOM 1075 NE ARG A 76 8.336 1.388 -7.604 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.238 1.232 -8.923 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.326 1.250 -9.682 1.00 0.00 N ATOM 1078 NH2 ARG A 76 7.049 1.057 -9.483 1.00 0.00 N ATOM 0 H ARG A 76 6.983 3.327 -3.546 1.00 0.00 H new ATOM 0 HA ARG A 76 9.122 1.403 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.724 3.291 -5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.356 3.053 -4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.340 0.735 -5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.595 0.690 -5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.941 2.612 -7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.361 0.934 -7.329 1.00 0.00 H new ATOM 0 HE ARG A 76 7.478 1.367 -7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.243 1.384 -9.256 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.245 1.130 -10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.210 1.042 -8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.974 0.938 -10.493 1.00 0.00 H new ATOM 1092 N ALA A 77 10.346 3.016 -1.412 1.00 0.00 N ATOM 1093 CA ALA A 77 10.985 3.921 -0.465 1.00 0.00 C ATOM 1094 C ALA A 77 12.237 3.294 0.138 1.00 0.00 C ATOM 1095 O ALA A 77 12.321 2.075 0.288 1.00 0.00 O ATOM 1096 CB ALA A 77 10.007 4.311 0.634 1.00 0.00 C ATOM 0 H ALA A 77 10.679 2.053 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 77 11.285 4.818 -1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.497 4.987 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.144 4.809 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.679 3.416 1.163 1.00 0.00 H new ATOM 1102 N GLU A 78 13.205 4.134 0.486 1.00 0.00 N ATOM 1103 CA GLU A 78 14.451 3.661 1.078 1.00 0.00 C ATOM 1104 C GLU A 78 14.241 3.278 2.539 1.00 0.00 C ATOM 1105 O GLU A 78 13.930 4.126 3.375 1.00 0.00 O ATOM 1106 CB GLU A 78 15.534 4.736 0.969 1.00 0.00 C ATOM 1107 CG GLU A 78 16.166 4.824 -0.411 1.00 0.00 C ATOM 1108 CD GLU A 78 17.397 3.950 -0.545 1.00 0.00 C ATOM 1109 OE1 GLU A 78 18.267 4.009 0.349 1.00 0.00 O ATOM 1110 OE2 GLU A 78 17.491 3.206 -1.543 1.00 0.00 O ATOM 0 H GLU A 78 13.151 5.146 0.369 1.00 0.00 H new ATOM 0 HA GLU A 78 14.775 2.776 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.101 5.703 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.313 4.532 1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.433 4.530 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.436 5.860 -0.618 1.00 0.00 H new ATOM 1117 N LEU A 79 14.407 1.994 2.840 1.00 0.00 N ATOM 1118 CA LEU A 79 14.229 1.498 4.200 1.00 0.00 C ATOM 1119 C LEU A 79 15.574 1.263 4.882 1.00 0.00 C ATOM 1120 O LEU A 79 16.551 0.885 4.237 1.00 0.00 O ATOM 1121 CB LEU A 79 13.420 0.201 4.187 1.00 0.00 C ATOM 1122 CG LEU A 79 11.906 0.382 4.065 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.229 -0.952 3.793 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.343 1.019 5.327 1.00 0.00 C ATOM 0 H LEU A 79 14.664 1.278 2.160 1.00 0.00 H new ATOM 0 HA LEU A 79 13.687 2.256 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.765 -0.416 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.632 -0.350 5.103 1.00 0.00 H new ATOM 0 HG LEU A 79 11.705 1.046 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.152 -0.803 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.611 -1.371 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.438 -1.640 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.265 1.141 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.555 0.379 6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.805 1.994 5.480 1.00 0.00 H new ATOM 1136 N ASN A 80 15.611 1.483 6.192 1.00 0.00 N ATOM 1137 CA ASN A 80 16.830 1.289 6.968 1.00 0.00 C ATOM 1138 C ASN A 80 16.878 -0.122 7.552 1.00 0.00 C ATOM 1139 O ASN A 80 16.144 -0.437 8.489 1.00 0.00 O ATOM 1140 CB ASN A 80 16.912 2.322 8.093 1.00 0.00 C ATOM 1141 CG ASN A 80 17.512 3.636 7.630 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.691 3.907 7.855 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.699 4.460 6.979 1.00 0.00 N ATOM 0 H ASN A 80 14.809 1.796 6.739 1.00 0.00 H new ATOM 0 HA ASN A 80 17.683 1.420 6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.913 2.502 8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.512 1.919 8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.046 5.359 6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.728 4.194 6.815 1.00 0.00 H new ATOM 1150 N PRO A 81 17.742 -0.997 7.005 1.00 0.00 N ATOM 1151 CA PRO A 81 17.872 -2.377 7.480 1.00 0.00 C ATOM 1152 C PRO A 81 18.639 -2.471 8.793 1.00 0.00 C ATOM 1153 O PRO A 81 19.271 -1.508 9.226 1.00 0.00 O ATOM 1154 CB PRO A 81 18.656 -3.055 6.358 1.00 0.00 C ATOM 1155 CG PRO A 81 19.490 -1.964 5.783 1.00 0.00 C ATOM 1156 CD PRO A 81 18.657 -0.714 5.882 1.00 0.00 C ATOM 0 HA PRO A 81 16.903 -2.832 7.686 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.273 -3.869 6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.990 -3.483 5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.425 -1.855 6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.753 -2.178 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.273 0.164 6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.111 -0.521 4.958 1.00 0.00 H new ATOM 1164 N MET A 82 18.582 -3.641 9.420 1.00 0.00 N ATOM 1165 CA MET A 82 19.275 -3.868 10.682 1.00 0.00 C ATOM 1166 C MET A 82 20.765 -4.109 10.449 1.00 0.00 C ATOM 1167 O MET A 82 21.581 -3.920 11.351 1.00 0.00 O ATOM 1168 CB MET A 82 18.662 -5.061 11.418 1.00 0.00 C ATOM 1169 CG MET A 82 18.613 -6.330 10.584 1.00 0.00 C ATOM 1170 SD MET A 82 18.876 -7.818 11.567 1.00 0.00 S ATOM 1171 CE MET A 82 17.694 -7.563 12.889 1.00 0.00 C ATOM 0 H MET A 82 18.062 -4.448 9.074 1.00 0.00 H new ATOM 0 HA MET A 82 19.161 -2.975 11.296 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.237 -5.253 12.324 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.651 -4.803 11.732 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.646 -6.395 10.085 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.372 -6.276 9.803 1.00 0.00 H new ATOM 0 HE1 MET A 82 17.501 -8.510 13.392 1.00 0.00 H new ATOM 0 HE2 MET A 82 18.098 -6.847 13.605 1.00 0.00 H new ATOM 0 HE3 MET A 82 16.763 -7.176 12.475 1.00 0.00 H new ATOM 1181 N ASP A 83 21.112 -4.526 9.235 1.00 0.00 N ATOM 1182 CA ASP A 83 22.502 -4.792 8.886 1.00 0.00 C ATOM 1183 C ASP A 83 23.295 -3.493 8.791 1.00 0.00 C ATOM 1184 O ASP A 83 24.327 -3.335 9.445 1.00 0.00 O ATOM 1185 CB ASP A 83 22.580 -5.549 7.559 1.00 0.00 C ATOM 1186 CG ASP A 83 23.959 -6.125 7.301 1.00 0.00 C ATOM 1187 OD1 ASP A 83 24.440 -6.912 8.143 1.00 0.00 O ATOM 1188 OD2 ASP A 83 24.557 -5.789 6.258 1.00 0.00 O ATOM 0 H ASP A 83 20.449 -4.687 8.477 1.00 0.00 H new ATOM 0 HA ASP A 83 22.938 -5.407 9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.847 -6.356 7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 83 22.312 -4.876 6.744 1.00 0.00 H new ATOM 1193 N GLY A 84 22.807 -2.565 7.975 1.00 0.00 N ATOM 1194 CA GLY A 84 23.482 -1.291 7.812 1.00 0.00 C ATOM 1195 C GLY A 84 23.231 -0.669 6.452 1.00 0.00 C ATOM 1196 O GLY A 84 23.080 -1.375 5.456 1.00 0.00 O ATOM 0 H GLY A 84 21.956 -2.672 7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 84 23.147 -0.604 8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.554 -1.431 7.951 1.00 0.00 H new ATOM 1200 N ASP A 85 23.187 0.660 6.412 1.00 0.00 N ATOM 1201 CA ASP A 85 22.954 1.384 5.167 1.00 0.00 C ATOM 1202 C ASP A 85 21.560 1.087 4.616 1.00 0.00 C ATOM 1203 O ASP A 85 21.227 -0.067 4.343 1.00 0.00 O ATOM 1204 CB ASP A 85 24.015 1.012 4.129 1.00 0.00 C ATOM 1205 CG ASP A 85 24.080 2.008 2.987 1.00 0.00 C ATOM 1206 OD1 ASP A 85 24.059 3.227 3.261 1.00 0.00 O ATOM 1207 OD2 ASP A 85 24.153 1.570 1.820 1.00 0.00 O ATOM 0 H ASP A 85 23.310 1.258 7.229 1.00 0.00 H new ATOM 0 HA ASP A 85 23.022 2.451 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.990 0.955 4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.798 0.021 3.731 1.00 0.00 H new ATOM 1212 N PRO A 86 20.721 2.126 4.441 1.00 0.00 N ATOM 1213 CA PRO A 86 19.361 1.960 3.917 1.00 0.00 C ATOM 1214 C PRO A 86 19.341 1.219 2.584 1.00 0.00 C ATOM 1215 O PRO A 86 20.357 1.134 1.895 1.00 0.00 O ATOM 1216 CB PRO A 86 18.866 3.397 3.737 1.00 0.00 C ATOM 1217 CG PRO A 86 19.683 4.203 4.687 1.00 0.00 C ATOM 1218 CD PRO A 86 21.029 3.538 4.736 1.00 0.00 C ATOM 0 HA PRO A 86 18.739 1.364 4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 86 19.003 3.737 2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 86 17.802 3.480 3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 86 19.769 5.236 4.350 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.223 4.228 5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 86 21.714 3.962 4.002 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.498 3.652 5.713 1.00 0.00 H new ATOM 1226 N VAL A 87 18.177 0.686 2.227 1.00 0.00 N ATOM 1227 CA VAL A 87 18.025 -0.048 0.976 1.00 0.00 C ATOM 1228 C VAL A 87 16.705 0.299 0.297 1.00 0.00 C ATOM 1229 O VAL A 87 15.695 0.529 0.963 1.00 0.00 O ATOM 1230 CB VAL A 87 18.083 -1.574 1.196 1.00 0.00 C ATOM 1231 CG1 VAL A 87 18.550 -2.278 -0.068 1.00 0.00 C ATOM 1232 CG2 VAL A 87 18.989 -1.920 2.370 1.00 0.00 C ATOM 0 H VAL A 87 17.326 0.749 2.786 1.00 0.00 H new ATOM 0 HA VAL A 87 18.857 0.249 0.338 1.00 0.00 H new ATOM 0 HB VAL A 87 17.077 -1.922 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 87 18.585 -3.353 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.856 -2.064 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 87 19.544 -1.922 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.013 -3.001 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 87 19.997 -1.556 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 87 18.606 -1.450 3.276 1.00 0.00 H new ATOM 1242 N GLU A 88 16.718 0.332 -1.031 1.00 0.00 N ATOM 1243 CA GLU A 88 15.520 0.648 -1.798 1.00 0.00 C ATOM 1244 C GLU A 88 14.497 -0.479 -1.689 1.00 0.00 C ATOM 1245 O GLU A 88 14.702 -1.570 -2.222 1.00 0.00 O ATOM 1246 CB GLU A 88 15.878 0.893 -3.266 1.00 0.00 C ATOM 1247 CG GLU A 88 15.356 2.214 -3.807 1.00 0.00 C ATOM 1248 CD GLU A 88 15.828 2.493 -5.221 1.00 0.00 C ATOM 1249 OE1 GLU A 88 16.899 1.976 -5.601 1.00 0.00 O ATOM 1250 OE2 GLU A 88 15.125 3.226 -5.948 1.00 0.00 O ATOM 0 H GLU A 88 17.545 0.144 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 88 15.080 1.556 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.962 0.868 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.477 0.079 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.266 2.205 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.680 3.024 -3.153 1.00 0.00 H new ATOM 1257 N ALA A 89 13.397 -0.209 -0.995 1.00 0.00 N ATOM 1258 CA ALA A 89 12.346 -1.201 -0.817 1.00 0.00 C ATOM 1259 C ALA A 89 11.139 -0.883 -1.691 1.00 0.00 C ATOM 1260 O ALA A 89 10.760 0.278 -1.845 1.00 0.00 O ATOM 1261 CB ALA A 89 11.936 -1.277 0.645 1.00 0.00 C ATOM 0 H ALA A 89 13.211 0.688 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 89 12.738 -2.170 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.150 -2.022 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.798 -1.559 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.566 -0.305 0.970 1.00 0.00 H new ATOM 1267 N ASN A 90 10.539 -1.921 -2.263 1.00 0.00 N ATOM 1268 CA ASN A 90 9.374 -1.752 -3.122 1.00 0.00 C ATOM 1269 C ASN A 90 8.333 -2.833 -2.845 1.00 0.00 C ATOM 1270 O ASN A 90 8.619 -4.025 -2.951 1.00 0.00 O ATOM 1271 CB ASN A 90 9.790 -1.780 -4.598 1.00 0.00 C ATOM 1272 CG ASN A 90 10.105 -3.179 -5.097 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.433 -3.699 -5.988 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.132 -3.796 -4.524 1.00 0.00 N ATOM 0 H ASN A 90 10.841 -2.888 -2.147 1.00 0.00 H new ATOM 0 HA ASN A 90 8.927 -0.783 -2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.990 -1.355 -5.204 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.665 -1.145 -4.736 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.390 -4.738 -4.819 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.662 -3.328 -3.789 1.00 0.00 H new ATOM 1281 N VAL A 91 7.126 -2.409 -2.488 1.00 0.00 N ATOM 1282 CA VAL A 91 6.047 -3.343 -2.197 1.00 0.00 C ATOM 1283 C VAL A 91 4.769 -2.956 -2.933 1.00 0.00 C ATOM 1284 O VAL A 91 4.353 -1.798 -2.909 1.00 0.00 O ATOM 1285 CB VAL A 91 5.757 -3.416 -0.684 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.260 -2.075 -0.165 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.752 -4.518 -0.386 1.00 0.00 C ATOM 0 H VAL A 91 6.871 -1.426 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 91 6.377 -4.323 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 91 6.687 -3.654 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.062 -2.150 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.019 -1.313 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.343 -1.801 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.560 -4.555 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.821 -4.314 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.154 -5.476 -0.715 1.00 0.00 H new ATOM 1297 N ASN A 92 4.150 -3.934 -3.583 1.00 0.00 N ATOM 1298 CA ASN A 92 2.920 -3.701 -4.322 1.00 0.00 C ATOM 1299 C ASN A 92 1.709 -3.865 -3.406 1.00 0.00 C ATOM 1300 O ASN A 92 1.368 -4.976 -3.006 1.00 0.00 O ATOM 1301 CB ASN A 92 2.844 -4.667 -5.512 1.00 0.00 C ATOM 1302 CG ASN A 92 1.427 -4.921 -5.989 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.572 -4.038 -5.936 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.177 -6.137 -6.459 1.00 0.00 N ATOM 0 H ASN A 92 4.483 -4.898 -3.612 1.00 0.00 H new ATOM 0 HA ASN A 92 2.916 -2.679 -4.701 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.431 -4.263 -6.337 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.301 -5.616 -5.231 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.243 -6.372 -6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.919 -6.837 -6.483 1.00 0.00 H new ATOM 1311 N LEU A 93 1.066 -2.747 -3.074 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.106 -2.765 -2.200 1.00 0.00 C ATOM 1313 C LEU A 93 -1.110 -3.823 -2.648 1.00 0.00 C ATOM 1314 O LEU A 93 -1.717 -4.506 -1.826 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.774 -1.388 -2.181 1.00 0.00 C ATOM 1316 CG LEU A 93 -0.104 -0.356 -1.272 1.00 0.00 C ATOM 1317 CD1 LEU A 93 0.014 -0.891 0.146 1.00 0.00 C ATOM 1318 CD2 LEU A 93 1.265 0.023 -1.817 1.00 0.00 C ATOM 0 H LEU A 93 1.336 -1.818 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 93 0.229 -3.015 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.793 -0.996 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.811 -1.508 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.725 0.539 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.493 -0.143 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.980 -1.113 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.614 -1.801 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.728 0.758 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.895 -0.865 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.155 0.448 -2.815 1.00 0.00 H new ATOM 1330 N SER A 94 -1.270 -3.957 -3.960 1.00 0.00 N ATOM 1331 CA SER A 94 -2.192 -4.935 -4.528 1.00 0.00 C ATOM 1332 C SER A 94 -1.817 -6.360 -4.118 1.00 0.00 C ATOM 1333 O SER A 94 -2.598 -7.291 -4.298 1.00 0.00 O ATOM 1334 CB SER A 94 -2.215 -4.821 -6.053 1.00 0.00 C ATOM 1335 OG SER A 94 -2.408 -3.478 -6.461 1.00 0.00 O ATOM 0 H SER A 94 -0.771 -3.399 -4.653 1.00 0.00 H new ATOM 0 HA SER A 94 -3.186 -4.719 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.278 -5.198 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.013 -5.445 -6.455 1.00 0.00 H new ATOM 0 HG SER A 94 -2.708 -2.944 -5.696 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.614 -6.530 -3.578 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.148 -7.846 -3.158 1.00 0.00 C ATOM 1343 C GLU A 95 -1.049 -8.438 -2.079 1.00 0.00 C ATOM 1344 O GLU A 95 -1.434 -9.605 -2.153 1.00 0.00 O ATOM 1345 CB GLU A 95 1.287 -7.763 -2.637 1.00 0.00 C ATOM 1346 CG GLU A 95 2.329 -7.631 -3.735 1.00 0.00 C ATOM 1347 CD GLU A 95 3.351 -8.751 -3.709 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.089 -9.809 -4.318 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.414 -8.569 -3.077 1.00 0.00 O ATOM 0 H GLU A 95 0.054 -5.775 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.180 -8.499 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.371 -6.910 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.503 -8.655 -2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.830 -7.622 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.841 -6.675 -3.631 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.373 -7.635 -1.070 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.217 -8.097 0.027 1.00 0.00 C ATOM 1358 C ARG A 96 -3.205 -7.020 0.464 1.00 0.00 C ATOM 1359 O ARG A 96 -3.465 -6.854 1.656 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.351 -8.513 1.216 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.435 -9.689 0.922 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.994 -10.982 1.491 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.541 -11.215 2.861 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.852 -12.297 3.571 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.617 -13.246 3.047 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.396 -12.430 4.810 1.00 0.00 N ATOM 0 H ARG A 96 -1.066 -6.666 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.786 -8.955 -0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.746 -7.662 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.999 -8.769 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.304 -9.790 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.551 -9.499 1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.083 -10.947 1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.690 -11.818 0.861 1.00 0.00 H new ATOM 0 HE ARG A 96 0.048 -10.507 3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.970 -13.149 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.852 -14.073 3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.192 -11.703 5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.634 -13.259 5.355 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.763 -6.297 -0.499 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.728 -5.251 -0.194 1.00 0.00 C ATOM 1382 C ILE A 97 -6.024 -5.484 -0.960 1.00 0.00 C ATOM 1383 O ILE A 97 -6.037 -5.474 -2.187 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.160 -3.856 -0.536 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.979 -3.529 0.382 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.238 -2.785 -0.417 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.370 -3.352 1.833 1.00 0.00 C ATOM 0 H ILE A 97 -3.565 -6.415 -1.492 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.934 -5.287 0.876 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.811 -3.871 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.241 -4.327 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.498 -2.616 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.813 -1.812 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.052 -3.010 -1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.621 -2.766 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.483 -3.123 2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.085 -2.534 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.824 -4.272 2.202 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.113 -5.692 -0.230 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.393 -5.932 -0.870 1.00 0.00 C ATOM 1401 C GLY A 98 -9.436 -4.893 -0.512 1.00 0.00 C ATOM 1402 O GLY A 98 -9.151 -3.934 0.205 1.00 0.00 O ATOM 0 H GLY A 98 -7.133 -5.699 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.256 -5.944 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.757 -6.919 -0.584 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.652 -5.090 -1.014 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.750 -4.170 -0.746 1.00 0.00 C ATOM 1408 C ASN A 99 -13.013 -4.935 -0.363 1.00 0.00 C ATOM 1409 O ASN A 99 -13.675 -5.527 -1.216 1.00 0.00 O ATOM 1410 CB ASN A 99 -12.022 -3.297 -1.972 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.361 -4.116 -3.202 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.544 -4.902 -3.683 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.570 -3.935 -3.719 1.00 0.00 N ATOM 0 H ASN A 99 -10.901 -5.880 -1.609 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.463 -3.531 0.089 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.845 -2.616 -1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.146 -2.682 -2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.854 -4.458 -4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.215 -3.273 -3.288 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.340 -4.921 0.925 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.523 -5.616 1.419 1.00 0.00 C ATOM 1422 C ASP A 100 -15.724 -4.678 1.472 1.00 0.00 C ATOM 1423 O ASP A 100 -15.723 -3.693 2.211 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.255 -6.199 2.808 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.406 -7.046 3.312 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -16.541 -6.529 3.376 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -15.173 -8.228 3.642 1.00 0.00 O ATOM 0 H ASP A 100 -12.803 -4.437 1.645 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.750 -6.428 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.349 -6.804 2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.071 -5.386 3.511 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.748 -4.990 0.683 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.958 -4.176 0.638 1.00 0.00 C ATOM 1434 C CYS A 101 -17.626 -2.718 0.335 1.00 0.00 C ATOM 1435 O CYS A 101 -18.319 -1.806 0.785 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.713 -4.273 1.965 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.409 -3.649 1.897 1.00 0.00 S ATOM 0 H CYS A 101 -16.764 -5.802 0.066 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.591 -4.558 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.733 -5.315 2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.163 -3.718 2.725 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.415 -2.466 1.358 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.559 -2.507 -0.429 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.152 -1.158 -0.777 1.00 0.00 C ATOM 1445 C GLY A 102 -15.138 -0.584 0.194 1.00 0.00 C ATOM 1446 O GLY A 102 -14.480 0.412 -0.106 1.00 0.00 O ATOM 0 H GLY A 102 -15.969 -3.245 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.728 -1.158 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -17.030 -0.513 -0.802 1.00 0.00 H new ATOM 1450 N THR A 103 -15.011 -1.209 1.362 1.00 0.00 N ATOM 1451 CA THR A 103 -14.069 -0.749 2.376 1.00 0.00 C ATOM 1452 C THR A 103 -12.686 -1.351 2.149 1.00 0.00 C ATOM 1453 O THR A 103 -12.560 -2.487 1.694 1.00 0.00 O ATOM 1454 CB THR A 103 -14.572 -1.116 3.773 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.884 -0.624 3.978 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.700 -0.574 4.885 1.00 0.00 C ATOM 0 H THR A 103 -15.548 -2.034 1.628 1.00 0.00 H new ATOM 0 HA THR A 103 -13.991 0.335 2.297 1.00 0.00 H new ATOM 0 HB THR A 103 -14.547 -2.205 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.189 -0.870 4.876 1.00 0.00 H new ATOM 0 HG21 THR A 103 -14.113 -0.871 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.691 -0.974 4.784 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.667 0.514 4.824 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.651 -0.580 2.469 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.276 -1.034 2.299 1.00 0.00 C ATOM 1466 C LEU A 104 -9.912 -2.078 3.352 1.00 0.00 C ATOM 1467 O LEU A 104 -10.110 -1.863 4.548 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.313 0.154 2.381 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.596 0.500 1.074 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.650 -0.620 0.671 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.605 0.774 -0.031 1.00 0.00 C ATOM 0 H LEU A 104 -11.739 0.363 2.848 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.189 -1.495 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.869 1.030 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.563 -0.058 3.143 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.008 1.404 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.149 -0.356 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.906 -0.767 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.216 -1.541 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.077 1.018 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.221 -0.111 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.241 1.612 0.256 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.376 -3.206 2.898 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.981 -4.282 3.800 1.00 0.00 C ATOM 1485 C ILE A 105 -7.609 -4.833 3.427 1.00 0.00 C ATOM 1486 O ILE A 105 -7.032 -4.451 2.409 1.00 0.00 O ATOM 1487 CB ILE A 105 -10.006 -5.433 3.788 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.145 -6.009 2.378 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.353 -4.947 4.302 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.325 -7.511 2.355 1.00 0.00 C ATOM 0 H ILE A 105 -9.205 -3.399 1.911 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.939 -3.856 4.802 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.649 -6.223 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.997 -5.541 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.259 -5.748 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.067 -5.771 4.288 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.242 -4.580 5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.716 -4.141 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.417 -7.851 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.461 -7.988 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.226 -7.778 2.907 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.090 -5.731 4.258 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.786 -6.332 4.017 1.00 0.00 C ATOM 1504 C PHE A 106 -5.892 -7.856 3.985 1.00 0.00 C ATOM 1505 O PHE A 106 -6.597 -8.457 4.796 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.794 -5.882 5.096 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.648 -6.830 5.307 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.762 -7.879 6.203 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.463 -6.674 4.608 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.713 -8.756 6.400 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.410 -7.547 4.800 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.535 -8.590 5.697 1.00 0.00 C ATOM 0 H PHE A 106 -7.554 -6.058 5.105 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.422 -5.999 3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.397 -4.904 4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.329 -5.759 6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.681 -8.013 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.361 -5.861 3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.813 -9.570 7.102 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.490 -7.414 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.714 -9.275 5.849 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.186 -8.473 3.042 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.199 -9.924 2.904 1.00 0.00 C ATOM 1524 C LEU A 107 -4.512 -10.590 4.091 1.00 0.00 C ATOM 1525 O LEU A 107 -3.286 -10.690 4.135 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.510 -10.338 1.602 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.435 -10.459 0.390 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -5.931 -9.088 -0.042 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.720 -11.155 -0.758 1.00 0.00 C ATOM 0 H LEU A 107 -4.598 -7.990 2.363 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.238 -10.253 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.731 -9.611 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.015 -11.296 1.759 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.298 -11.062 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.588 -9.194 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.481 -8.625 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.080 -8.461 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.393 -11.233 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.839 -10.579 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.415 -12.153 -0.445 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.310 -11.045 5.052 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.778 -11.701 6.240 1.00 0.00 C ATOM 1543 C ALA A 108 -5.252 -13.148 6.326 1.00 0.00 C ATOM 1544 O ALA A 108 -4.473 -13.997 6.809 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.185 -10.937 7.491 1.00 0.00 C ATOM 1546 OXT ALA A 108 -6.397 -13.421 5.909 1.00 0.00 O ATOM 0 H ALA A 108 -6.327 -10.971 5.031 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.690 -11.705 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.781 -11.438 8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.794 -9.921 7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.272 -10.904 7.560 1.00 0.00 H new