USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1084 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 1 SER N :NH3+ -179:sc= 1.06 (180deg=0) USER MOD Set 1.2: A 6 GLN : amide:sc= 0.82 K(o=1.9,f=-5.8!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -139:sc= -0.24 (180deg=-0.932) USER MOD Single : A 3 THR OG1 : rot -58:sc= 0.387 USER MOD Single : A 10 SER OG : rot -84:sc= 1.16 USER MOD Single : A 14 SER OG : rot -8:sc= 1.06 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.194 F(o=-0.95,f=-0.19) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -14:sc= 0.871 USER MOD Single : A 40 ASN :FLIP amide:sc= -1.3 F(o=-2!,f=-1.3) USER MOD Single : A 42 THR OG1 : rot 70:sc= 0.139 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= -0.0116 USER MOD Single : A 51 GLN :FLIP amide:sc=-0.00466 F(o=-0.95,f=-0.0047) USER MOD Single : A 52 GLN : amide:sc= -0.0577 X(o=-0.058,f=-0.16) USER MOD Single : A 56 SER OG : rot -29:sc= 0.0448 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.62 F(o=-1.9!,f=-0.62) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.452 F(o=-2.7!,f=-0.45) USER MOD Single : A 67 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.00028) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0337 F(o=-0.85,f=-0.034) USER MOD Single : A 74 SER OG : rot 160:sc= -3.04! USER MOD Single : A 75 SER OG : rot 180:sc= 0.332 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 79 SER OG : rot 84:sc= 0.848 USER MOD Single : A 82 ASN :FLIP amide:sc=-0.00724 F(o=-0.59,f=-0.0072) USER MOD Single : A 86 GLN : amide:sc= 0.0862 K(o=0.086,f=-0.47) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -2.97! C(o=-3!,f=-4.4!) USER MOD Single : A 106 GLN : amide:sc= -2.86! C(o=-2.9!,f=-3.8!) USER MOD Single : A 108 GLN : amide:sc= -0.224 K(o=-0.22,f=-0.86) USER MOD Single : A 111 ASN : amide:sc= -0.0388 K(o=-0.039,f=-0.8) USER MOD Single : A 113 MET CE :methyl -173:sc= -3.3! (180deg=-3.33!) USER MOD Single : A 114 LYS NZ :NH3+ -172:sc=-0.00293 (180deg=-0.0635) USER MOD Single : A 117 SER OG : rot -88:sc= 0.856 USER MOD Single : A 118 TYR OH : rot 20:sc= 0.139 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -29:sc= 0.73 USER MOD Single : A 127 TYR OH : rot 79:sc= -0.0932 USER MOD Single : A 130 CYS SG : rot 53:sc= 0.3 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.589 -9.638 2.943 1.00 0.00 N ATOM 2 CA SER A 1 -16.257 -9.038 4.252 1.00 0.00 C ATOM 3 C SER A 1 -15.148 -9.847 4.922 1.00 0.00 C ATOM 4 O SER A 1 -15.335 -11.031 5.210 1.00 0.00 O ATOM 5 CB SER A 1 -17.510 -9.005 5.133 1.00 0.00 C ATOM 6 OG SER A 1 -18.572 -8.325 4.478 1.00 0.00 O ATOM 0 H1 SER A 1 -17.332 -9.075 2.482 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.741 -9.650 2.342 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.928 -10.611 3.083 1.00 0.00 H new ATOM 0 HA SER A 1 -15.903 -8.017 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.818 -10.023 5.373 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.283 -8.510 6.077 1.00 0.00 H new ATOM 0 HG SER A 1 -19.362 -8.317 5.058 1.00 0.00 H new ATOM 14 N MET A 2 -13.996 -9.203 5.155 1.00 0.00 N ATOM 15 CA MET A 2 -12.803 -9.880 5.681 1.00 0.00 C ATOM 16 C MET A 2 -12.345 -10.960 4.683 1.00 0.00 C ATOM 17 O MET A 2 -13.000 -11.161 3.661 1.00 0.00 O ATOM 18 CB MET A 2 -13.096 -10.469 7.080 1.00 0.00 C ATOM 19 CG MET A 2 -11.856 -10.862 7.880 1.00 0.00 C ATOM 20 SD MET A 2 -12.239 -11.338 9.580 1.00 0.00 S ATOM 21 CE MET A 2 -12.942 -9.817 10.221 1.00 0.00 C ATOM 0 H MET A 2 -13.865 -8.206 4.986 1.00 0.00 H new ATOM 0 HA MET A 2 -11.990 -9.163 5.798 1.00 0.00 H new ATOM 0 HB2 MET A 2 -13.666 -9.739 7.655 1.00 0.00 H new ATOM 0 HB3 MET A 2 -13.730 -11.348 6.964 1.00 0.00 H new ATOM 0 HG2 MET A 2 -11.355 -11.691 7.380 1.00 0.00 H new ATOM 0 HG3 MET A 2 -11.157 -10.026 7.891 1.00 0.00 H new ATOM 0 HE1 MET A 2 -12.578 -9.647 11.234 1.00 0.00 H new ATOM 0 HE2 MET A 2 -12.646 -8.983 9.584 1.00 0.00 H new ATOM 0 HE3 MET A 2 -14.029 -9.896 10.234 1.00 0.00 H new ATOM 31 N THR A 3 -11.211 -11.624 4.963 1.00 0.00 N ATOM 32 CA THR A 3 -10.646 -12.658 4.078 1.00 0.00 C ATOM 33 C THR A 3 -10.665 -12.193 2.613 1.00 0.00 C ATOM 34 O THR A 3 -10.955 -12.965 1.690 1.00 0.00 O ATOM 35 CB THR A 3 -11.352 -14.044 4.250 1.00 0.00 C ATOM 36 OG1 THR A 3 -10.649 -15.050 3.507 1.00 0.00 O ATOM 37 CG2 THR A 3 -12.815 -14.031 3.804 1.00 0.00 C ATOM 0 H THR A 3 -10.661 -11.460 5.806 1.00 0.00 H new ATOM 0 HA THR A 3 -9.608 -12.803 4.375 1.00 0.00 H new ATOM 0 HB THR A 3 -11.334 -14.268 5.317 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.608 -14.791 2.563 1.00 0.00 H new ATOM 0 HG21 THR A 3 -13.248 -15.021 3.948 1.00 0.00 H new ATOM 0 HG22 THR A 3 -13.369 -13.303 4.396 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.872 -13.760 2.750 1.00 0.00 H new ATOM 45 N GLU A 4 -10.295 -10.921 2.431 1.00 0.00 N ATOM 46 CA GLU A 4 -10.362 -10.240 1.140 1.00 0.00 C ATOM 47 C GLU A 4 -11.819 -10.098 0.682 1.00 0.00 C ATOM 48 O GLU A 4 -12.591 -9.367 1.313 1.00 0.00 O ATOM 49 CB GLU A 4 -9.497 -10.949 0.081 1.00 0.00 C ATOM 50 CG GLU A 4 -8.007 -10.957 0.410 1.00 0.00 C ATOM 51 CD GLU A 4 -7.171 -11.642 -0.662 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.855 -10.998 -1.682 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.814 -12.828 -0.481 1.00 0.00 O ATOM 0 H GLU A 4 -9.938 -10.333 3.184 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.951 -9.238 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.842 -11.977 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.645 -10.460 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.661 -9.931 0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.853 -11.463 1.363 1.00 0.00 H new ATOM 60 N GLU A 5 -12.201 -10.810 -0.385 1.00 0.00 N ATOM 61 CA GLU A 5 -13.551 -10.710 -0.943 1.00 0.00 C ATOM 62 C GLU A 5 -13.923 -9.252 -1.237 1.00 0.00 C ATOM 63 O GLU A 5 -13.044 -8.390 -1.331 1.00 0.00 O ATOM 64 CB GLU A 5 -14.567 -11.359 0.011 1.00 0.00 C ATOM 65 CG GLU A 5 -14.507 -12.883 0.018 1.00 0.00 C ATOM 66 CD GLU A 5 -14.912 -13.481 -1.323 1.00 0.00 C ATOM 67 OE1 GLU A 5 -14.044 -13.621 -2.212 1.00 0.00 O ATOM 68 OE2 GLU A 5 -16.109 -13.797 -1.499 1.00 0.00 O ATOM 0 H GLU A 5 -11.592 -11.462 -0.879 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.573 -11.249 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.390 -10.992 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.572 -11.044 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.495 -13.204 0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.164 -13.267 0.798 1.00 0.00 H new ATOM 75 N GLN A 6 -15.227 -8.994 -1.400 1.00 0.00 N ATOM 76 CA GLN A 6 -15.741 -7.649 -1.677 1.00 0.00 C ATOM 77 C GLN A 6 -15.338 -7.194 -3.086 1.00 0.00 C ATOM 78 O GLN A 6 -14.352 -7.677 -3.645 1.00 0.00 O ATOM 79 CB GLN A 6 -15.229 -6.626 -0.639 1.00 0.00 C ATOM 80 CG GLN A 6 -15.525 -6.982 0.816 1.00 0.00 C ATOM 81 CD GLN A 6 -17.009 -7.043 1.125 1.00 0.00 C ATOM 82 OE1 GLN A 6 -17.634 -8.098 1.021 1.00 0.00 O ATOM 83 NE2 GLN A 6 -17.578 -5.916 1.520 1.00 0.00 N ATOM 0 H GLN A 6 -15.952 -9.709 -1.344 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.828 -7.697 -1.611 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.151 -6.517 -0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.674 -5.655 -0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.072 -7.946 1.047 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.055 -6.245 1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.024 -5.063 1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.571 -5.900 1.752 1.00 0.00 H new ATOM 92 N PRO A 7 -16.112 -6.270 -3.692 1.00 0.00 N ATOM 93 CA PRO A 7 -15.718 -5.617 -4.946 1.00 0.00 C ATOM 94 C PRO A 7 -14.603 -4.597 -4.686 1.00 0.00 C ATOM 95 O PRO A 7 -13.767 -4.802 -3.806 1.00 0.00 O ATOM 96 CB PRO A 7 -17.016 -4.930 -5.400 1.00 0.00 C ATOM 97 CG PRO A 7 -17.757 -4.658 -4.136 1.00 0.00 C ATOM 98 CD PRO A 7 -17.436 -5.808 -3.217 1.00 0.00 C ATOM 0 HA PRO A 7 -15.322 -6.303 -5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.808 -4.009 -5.944 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.592 -5.571 -6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.448 -3.709 -3.698 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.830 -4.590 -4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.400 -5.491 -2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -18.185 -6.597 -3.285 1.00 0.00 H new ATOM 106 N VAL A 8 -14.599 -3.489 -5.427 1.00 0.00 N ATOM 107 CA VAL A 8 -13.630 -2.408 -5.199 1.00 0.00 C ATOM 108 C VAL A 8 -13.714 -1.872 -3.758 1.00 0.00 C ATOM 109 O VAL A 8 -12.841 -1.134 -3.302 1.00 0.00 O ATOM 110 CB VAL A 8 -13.835 -1.243 -6.198 1.00 0.00 C ATOM 111 CG1 VAL A 8 -13.546 -1.699 -7.628 1.00 0.00 C ATOM 112 CG2 VAL A 8 -15.249 -0.676 -6.087 1.00 0.00 C ATOM 0 H VAL A 8 -15.253 -3.313 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.640 -2.835 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.131 -0.451 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.696 -0.865 -8.313 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.515 -2.045 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.221 -2.513 -7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.370 0.141 -6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.974 -1.460 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.414 -0.304 -5.076 1.00 0.00 H new ATOM 122 N ALA A 9 -14.772 -2.257 -3.045 1.00 0.00 N ATOM 123 CA ALA A 9 -14.948 -1.895 -1.637 1.00 0.00 C ATOM 124 C ALA A 9 -13.932 -2.625 -0.748 1.00 0.00 C ATOM 125 O ALA A 9 -13.843 -2.362 0.454 1.00 0.00 O ATOM 126 CB ALA A 9 -16.373 -2.205 -1.189 1.00 0.00 C ATOM 0 H ALA A 9 -15.529 -2.826 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.772 -0.824 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.492 -1.932 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.077 -1.635 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.569 -3.270 -1.311 1.00 0.00 H new ATOM 132 N SER A 10 -13.180 -3.549 -1.346 1.00 0.00 N ATOM 133 CA SER A 10 -12.183 -4.334 -0.624 1.00 0.00 C ATOM 134 C SER A 10 -11.032 -3.461 -0.116 1.00 0.00 C ATOM 135 O SER A 10 -10.371 -3.812 0.861 1.00 0.00 O ATOM 136 CB SER A 10 -11.645 -5.450 -1.529 1.00 0.00 C ATOM 137 OG SER A 10 -11.257 -4.939 -2.794 1.00 0.00 O ATOM 0 H SER A 10 -13.245 -3.772 -2.339 1.00 0.00 H new ATOM 0 HA SER A 10 -12.668 -4.774 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.792 -5.931 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.410 -6.215 -1.661 1.00 0.00 H new ATOM 0 HG SER A 10 -12.041 -4.883 -3.379 1.00 0.00 H new ATOM 143 N TRP A 11 -10.795 -2.324 -0.775 1.00 0.00 N ATOM 144 CA TRP A 11 -9.710 -1.424 -0.376 1.00 0.00 C ATOM 145 C TRP A 11 -9.888 -0.983 1.076 1.00 0.00 C ATOM 146 O TRP A 11 -8.928 -0.934 1.846 1.00 0.00 O ATOM 147 CB TRP A 11 -9.663 -0.173 -1.260 1.00 0.00 C ATOM 148 CG TRP A 11 -9.689 -0.428 -2.738 1.00 0.00 C ATOM 149 CD1 TRP A 11 -9.253 -1.534 -3.414 1.00 0.00 C ATOM 150 CD2 TRP A 11 -10.169 0.483 -3.725 1.00 0.00 C ATOM 151 NE1 TRP A 11 -9.450 -1.362 -4.765 1.00 0.00 N ATOM 152 CE2 TRP A 11 -10.012 -0.127 -4.978 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.723 1.760 -3.659 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -10.393 0.502 -6.162 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -11.102 2.387 -4.823 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.937 1.758 -6.066 1.00 0.00 C ATOM 0 H TRP A 11 -11.335 -2.007 -1.580 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.778 -1.977 -0.490 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.509 0.464 -1.004 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.759 0.386 -1.021 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.819 -2.411 -2.956 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -9.217 -2.041 -5.490 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.853 2.251 -2.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.265 0.019 -7.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.532 3.377 -4.779 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -11.244 2.272 -6.965 1.00 0.00 H new ATOM 167 N ALA A 12 -11.137 -0.691 1.436 1.00 0.00 N ATOM 168 CA ALA A 12 -11.472 -0.137 2.749 1.00 0.00 C ATOM 169 C ALA A 12 -11.159 -1.115 3.881 1.00 0.00 C ATOM 170 O ALA A 12 -11.190 -0.744 5.057 1.00 0.00 O ATOM 171 CB ALA A 12 -12.943 0.261 2.783 1.00 0.00 C ATOM 0 H ALA A 12 -11.944 -0.831 0.828 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.852 0.746 2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.186 0.673 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.135 1.012 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.562 -0.616 2.594 1.00 0.00 H new ATOM 177 N LEU A 13 -10.860 -2.362 3.527 1.00 0.00 N ATOM 178 CA LEU A 13 -10.511 -3.372 4.518 1.00 0.00 C ATOM 179 C LEU A 13 -9.163 -3.041 5.155 1.00 0.00 C ATOM 180 O LEU A 13 -8.998 -3.145 6.371 1.00 0.00 O ATOM 181 CB LEU A 13 -10.465 -4.768 3.879 1.00 0.00 C ATOM 182 CG LEU A 13 -11.779 -5.235 3.225 1.00 0.00 C ATOM 183 CD1 LEU A 13 -11.603 -6.609 2.578 1.00 0.00 C ATOM 184 CD2 LEU A 13 -12.917 -5.257 4.244 1.00 0.00 C ATOM 0 H LEU A 13 -10.853 -2.695 2.563 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.278 -3.373 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.679 -4.779 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.182 -5.491 4.644 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.040 -4.522 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.543 -6.920 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.829 -6.554 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.311 -7.334 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.834 -5.590 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.667 -5.942 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.063 -4.255 4.648 1.00 0.00 H new ATOM 196 N SER A 14 -8.204 -2.633 4.324 1.00 0.00 N ATOM 197 CA SER A 14 -6.852 -2.313 4.783 1.00 0.00 C ATOM 198 C SER A 14 -6.104 -1.499 3.728 1.00 0.00 C ATOM 199 O SER A 14 -6.264 -1.730 2.526 1.00 0.00 O ATOM 200 CB SER A 14 -6.059 -3.595 5.097 1.00 0.00 C ATOM 201 OG SER A 14 -6.612 -4.301 6.201 1.00 0.00 O ATOM 0 H SER A 14 -8.341 -2.515 3.320 1.00 0.00 H new ATOM 0 HA SER A 14 -6.944 -1.722 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.051 -4.241 4.219 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.022 -3.337 5.313 1.00 0.00 H new ATOM 0 HG SER A 14 -7.307 -3.754 6.624 1.00 0.00 H new ATOM 207 N PHE A 15 -5.271 -0.566 4.187 1.00 0.00 N ATOM 208 CA PHE A 15 -4.452 0.255 3.297 1.00 0.00 C ATOM 209 C PHE A 15 -3.587 -0.638 2.411 1.00 0.00 C ATOM 210 O PHE A 15 -3.387 -0.354 1.237 1.00 0.00 O ATOM 211 CB PHE A 15 -3.575 1.216 4.114 1.00 0.00 C ATOM 212 CG PHE A 15 -2.713 2.136 3.279 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.222 2.744 2.138 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.396 2.389 3.635 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.436 3.584 1.375 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.608 3.228 2.872 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.128 3.827 1.742 1.00 0.00 C ATOM 0 H PHE A 15 -5.145 -0.359 5.178 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.108 0.848 2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.218 1.821 4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.931 0.632 4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.244 2.557 1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.983 1.925 4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.845 4.051 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.416 3.416 3.159 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.512 4.485 1.146 1.00 0.00 H new ATOM 227 N GLU A 16 -3.083 -1.713 3.003 1.00 0.00 N ATOM 228 CA GLU A 16 -2.357 -2.756 2.285 1.00 0.00 C ATOM 229 C GLU A 16 -3.116 -3.190 1.019 1.00 0.00 C ATOM 230 O GLU A 16 -2.525 -3.331 -0.051 1.00 0.00 O ATOM 231 CB GLU A 16 -2.156 -3.957 3.221 1.00 0.00 C ATOM 232 CG GLU A 16 -1.475 -5.163 2.579 1.00 0.00 C ATOM 233 CD GLU A 16 -1.379 -6.348 3.531 1.00 0.00 C ATOM 234 OE1 GLU A 16 -2.360 -7.116 3.640 1.00 0.00 O ATOM 235 OE2 GLU A 16 -0.328 -6.518 4.181 1.00 0.00 O ATOM 0 H GLU A 16 -3.167 -1.888 4.004 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.390 -2.363 1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.563 -3.637 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.128 -4.268 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.030 -5.459 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.474 -4.881 2.252 1.00 0.00 H new ATOM 242 N ARG A 17 -4.431 -3.376 1.156 1.00 0.00 N ATOM 243 CA ARG A 17 -5.275 -3.847 0.054 1.00 0.00 C ATOM 244 C ARG A 17 -5.356 -2.786 -1.044 1.00 0.00 C ATOM 245 O ARG A 17 -5.141 -3.078 -2.222 1.00 0.00 O ATOM 246 CB ARG A 17 -6.687 -4.175 0.571 1.00 0.00 C ATOM 247 CG ARG A 17 -7.592 -4.864 -0.454 1.00 0.00 C ATOM 248 CD ARG A 17 -7.345 -6.371 -0.528 1.00 0.00 C ATOM 249 NE ARG A 17 -5.970 -6.702 -0.918 1.00 0.00 N ATOM 250 CZ ARG A 17 -5.128 -7.421 -0.166 1.00 0.00 C ATOM 251 NH1 ARG A 17 -5.498 -7.863 1.031 1.00 0.00 N ATOM 252 NH2 ARG A 17 -3.909 -7.687 -0.611 1.00 0.00 N ATOM 0 H ARG A 17 -4.937 -3.206 2.025 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.830 -4.751 -0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.600 -4.815 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.165 -3.251 0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.635 -4.682 -0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.426 -4.422 -1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.560 -6.818 0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.038 -6.814 -1.244 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.634 -6.363 -1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.432 -7.655 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.848 -8.410 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.614 -7.344 -1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.266 -8.235 -0.040 1.00 0.00 H new ATOM 266 N LEU A 18 -5.672 -1.558 -0.635 1.00 0.00 N ATOM 267 CA LEU A 18 -5.767 -0.415 -1.547 1.00 0.00 C ATOM 268 C LEU A 18 -4.437 -0.171 -2.258 1.00 0.00 C ATOM 269 O LEU A 18 -4.381 0.000 -3.476 1.00 0.00 O ATOM 270 CB LEU A 18 -6.152 0.842 -0.751 1.00 0.00 C ATOM 271 CG LEU A 18 -6.084 2.174 -1.524 1.00 0.00 C ATOM 272 CD1 LEU A 18 -7.278 2.329 -2.460 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.987 3.354 -0.559 1.00 0.00 C ATOM 0 H LEU A 18 -5.870 -1.326 0.338 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.527 -0.634 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.167 0.714 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.497 0.914 0.117 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.183 2.162 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.203 3.278 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.286 1.510 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.200 2.311 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.940 4.284 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.864 3.367 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.088 3.254 0.049 1.00 0.00 H new ATOM 285 N LEU A 19 -3.375 -0.174 -1.470 1.00 0.00 N ATOM 286 CA LEU A 19 -2.048 0.210 -1.929 1.00 0.00 C ATOM 287 C LEU A 19 -1.451 -0.850 -2.854 1.00 0.00 C ATOM 288 O LEU A 19 -0.634 -0.542 -3.721 1.00 0.00 O ATOM 289 CB LEU A 19 -1.140 0.445 -0.712 1.00 0.00 C ATOM 290 CG LEU A 19 0.236 1.039 -1.029 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.093 2.353 -1.792 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.045 1.245 0.247 1.00 0.00 C ATOM 0 H LEU A 19 -3.408 -0.445 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.128 1.132 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.654 1.110 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.998 -0.505 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 19 0.773 0.332 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.082 2.758 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.438 2.175 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.467 3.066 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.018 1.668 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.512 1.928 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.184 0.287 0.749 1.00 0.00 H new ATOM 304 N GLN A 20 -1.869 -2.096 -2.668 1.00 0.00 N ATOM 305 CA GLN A 20 -1.389 -3.197 -3.498 1.00 0.00 C ATOM 306 C GLN A 20 -2.345 -3.425 -4.676 1.00 0.00 C ATOM 307 O GLN A 20 -2.212 -4.392 -5.430 1.00 0.00 O ATOM 308 CB GLN A 20 -1.249 -4.477 -2.653 1.00 0.00 C ATOM 309 CG GLN A 20 -0.471 -5.600 -3.339 1.00 0.00 C ATOM 310 CD GLN A 20 0.963 -5.216 -3.689 1.00 0.00 C ATOM 311 OE1 GLN A 20 1.575 -4.365 -2.873 1.00 0.00 O flip ATOM 312 NE2 GLN A 20 1.521 -5.693 -4.679 1.00 0.00 N flip ATOM 0 H GLN A 20 -2.539 -2.371 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.407 -2.940 -3.896 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.753 -4.227 -1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.244 -4.842 -2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.457 -6.473 -2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.994 -5.891 -4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.019 -6.344 -5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.485 -5.437 -4.894 1.00 0.00 H new ATOM 321 N ASP A 21 -3.310 -2.520 -4.830 1.00 0.00 N ATOM 322 CA ASP A 21 -4.297 -2.612 -5.904 1.00 0.00 C ATOM 323 C ASP A 21 -4.020 -1.543 -6.959 1.00 0.00 C ATOM 324 O ASP A 21 -3.895 -0.365 -6.627 1.00 0.00 O ATOM 325 CB ASP A 21 -5.715 -2.440 -5.345 1.00 0.00 C ATOM 326 CG ASP A 21 -6.784 -2.835 -6.350 1.00 0.00 C ATOM 327 OD1 ASP A 21 -7.183 -1.987 -7.174 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.231 -4.004 -6.317 1.00 0.00 O ATOM 0 H ASP A 21 -3.429 -1.711 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.221 -3.597 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.824 -3.046 -4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.863 -1.401 -5.050 1.00 0.00 H new ATOM 333 N PRO A 22 -3.913 -1.932 -8.245 1.00 0.00 N ATOM 334 CA PRO A 22 -3.617 -0.989 -9.333 1.00 0.00 C ATOM 335 C PRO A 22 -4.675 0.110 -9.461 1.00 0.00 C ATOM 336 O PRO A 22 -4.346 1.290 -9.612 1.00 0.00 O ATOM 337 CB PRO A 22 -3.594 -1.876 -10.592 1.00 0.00 C ATOM 338 CG PRO A 22 -3.384 -3.263 -10.084 1.00 0.00 C ATOM 339 CD PRO A 22 -4.061 -3.313 -8.742 1.00 0.00 C ATOM 0 HA PRO A 22 -2.682 -0.456 -9.162 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.528 -1.797 -11.148 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.794 -1.579 -11.270 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.812 -3.998 -10.766 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.322 -3.491 -9.995 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.109 -3.601 -8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.586 -4.034 -8.077 1.00 0.00 H new ATOM 347 N LEU A 23 -5.944 -0.283 -9.379 1.00 0.00 N ATOM 348 CA LEU A 23 -7.050 0.658 -9.536 1.00 0.00 C ATOM 349 C LEU A 23 -7.130 1.545 -8.294 1.00 0.00 C ATOM 350 O LEU A 23 -7.327 2.762 -8.389 1.00 0.00 O ATOM 351 CB LEU A 23 -8.369 -0.114 -9.761 1.00 0.00 C ATOM 352 CG LEU A 23 -9.506 0.652 -10.479 1.00 0.00 C ATOM 353 CD1 LEU A 23 -10.642 -0.300 -10.851 1.00 0.00 C ATOM 354 CD2 LEU A 23 -10.042 1.797 -9.622 1.00 0.00 C ATOM 0 H LEU A 23 -6.232 -1.246 -9.205 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.883 1.292 -10.407 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.145 -1.011 -10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.740 -0.444 -8.791 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.087 1.081 -11.389 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.432 0.256 -11.355 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.263 -1.076 -11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.042 -0.760 -9.947 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.839 2.311 -10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.434 1.398 -8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.236 2.499 -9.408 1.00 0.00 H new ATOM 366 N GLY A 24 -6.948 0.921 -7.135 1.00 0.00 N ATOM 367 CA GLY A 24 -6.971 1.640 -5.878 1.00 0.00 C ATOM 368 C GLY A 24 -5.899 2.710 -5.807 1.00 0.00 C ATOM 369 O GLY A 24 -6.194 3.882 -5.565 1.00 0.00 O ATOM 0 H GLY A 24 -6.783 -0.082 -7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.950 2.100 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.834 0.936 -5.057 1.00 0.00 H new ATOM 373 N LEU A 25 -4.653 2.300 -6.034 1.00 0.00 N ATOM 374 CA LEU A 25 -3.512 3.213 -6.002 1.00 0.00 C ATOM 375 C LEU A 25 -3.699 4.343 -7.024 1.00 0.00 C ATOM 376 O LEU A 25 -3.235 5.466 -6.814 1.00 0.00 O ATOM 377 CB LEU A 25 -2.203 2.441 -6.281 1.00 0.00 C ATOM 378 CG LEU A 25 -0.977 2.865 -5.440 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.240 2.016 -5.798 1.00 0.00 C ATOM 380 CD2 LEU A 25 -0.664 4.351 -5.617 1.00 0.00 C ATOM 0 H LEU A 25 -4.406 1.333 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.449 3.657 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.386 1.380 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.953 2.557 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.222 2.699 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.092 2.330 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.022 0.966 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.475 2.145 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.203 4.615 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.450 4.555 -6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.522 4.944 -5.300 1.00 0.00 H new ATOM 392 N ALA A 26 -4.385 4.039 -8.128 1.00 0.00 N ATOM 393 CA ALA A 26 -4.650 5.029 -9.173 1.00 0.00 C ATOM 394 C ALA A 26 -5.427 6.223 -8.611 1.00 0.00 C ATOM 395 O ALA A 26 -4.945 7.358 -8.629 1.00 0.00 O ATOM 396 CB ALA A 26 -5.409 4.391 -10.332 1.00 0.00 C ATOM 0 H ALA A 26 -4.767 3.113 -8.321 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.693 5.395 -9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.598 5.141 -11.100 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.814 3.581 -10.754 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.358 3.994 -9.971 1.00 0.00 H new ATOM 402 N TYR A 27 -6.621 5.962 -8.091 1.00 0.00 N ATOM 403 CA TYR A 27 -7.439 7.021 -7.500 1.00 0.00 C ATOM 404 C TYR A 27 -6.786 7.561 -6.230 1.00 0.00 C ATOM 405 O TYR A 27 -6.955 8.733 -5.884 1.00 0.00 O ATOM 406 CB TYR A 27 -8.859 6.516 -7.202 1.00 0.00 C ATOM 407 CG TYR A 27 -9.767 6.516 -8.416 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.839 5.416 -9.264 1.00 0.00 C ATOM 409 CD2 TYR A 27 -10.552 7.626 -8.714 1.00 0.00 C ATOM 410 CE1 TYR A 27 -10.665 5.424 -10.374 1.00 0.00 C ATOM 411 CE2 TYR A 27 -11.381 7.640 -9.818 1.00 0.00 C ATOM 412 CZ TYR A 27 -11.435 6.538 -10.645 1.00 0.00 C ATOM 413 OH TYR A 27 -12.257 6.553 -11.751 1.00 0.00 O ATOM 0 H TYR A 27 -7.044 5.034 -8.065 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.512 7.834 -8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.800 5.504 -6.802 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.303 7.140 -6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.241 4.542 -9.053 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.512 8.492 -8.070 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.707 4.563 -11.025 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.984 8.510 -10.033 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.730 7.410 -11.795 1.00 0.00 H new ATOM 423 N PHE A 28 -6.029 6.707 -5.547 1.00 0.00 N ATOM 424 CA PHE A 28 -5.344 7.106 -4.325 1.00 0.00 C ATOM 425 C PHE A 28 -4.321 8.202 -4.613 1.00 0.00 C ATOM 426 O PHE A 28 -4.237 9.183 -3.876 1.00 0.00 O ATOM 427 CB PHE A 28 -4.662 5.904 -3.657 1.00 0.00 C ATOM 428 CG PHE A 28 -3.975 6.247 -2.357 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.719 6.587 -1.236 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.590 6.239 -2.257 1.00 0.00 C ATOM 431 CE1 PHE A 28 -4.099 6.910 -0.046 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.967 6.562 -1.068 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.722 6.897 0.039 1.00 0.00 C ATOM 0 H PHE A 28 -5.876 5.736 -5.820 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.092 7.500 -3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.407 5.130 -3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.930 5.483 -4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.797 6.599 -1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.994 5.977 -3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.691 7.173 0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.889 6.553 -1.003 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.235 7.148 0.970 1.00 0.00 H new ATOM 443 N THR A 29 -3.556 8.046 -5.696 1.00 0.00 N ATOM 444 CA THR A 29 -2.532 9.025 -6.042 1.00 0.00 C ATOM 445 C THR A 29 -3.179 10.319 -6.543 1.00 0.00 C ATOM 446 O THR A 29 -2.623 11.405 -6.364 1.00 0.00 O ATOM 447 CB THR A 29 -1.519 8.485 -7.091 1.00 0.00 C ATOM 448 OG1 THR A 29 -0.398 9.375 -7.195 1.00 0.00 O ATOM 449 CG2 THR A 29 -2.153 8.315 -8.467 1.00 0.00 C ATOM 0 H THR A 29 -3.627 7.258 -6.340 1.00 0.00 H new ATOM 0 HA THR A 29 -1.969 9.231 -5.132 1.00 0.00 H new ATOM 0 HB THR A 29 -1.191 7.504 -6.747 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.236 9.027 -7.856 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.408 7.936 -9.167 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.981 7.610 -8.401 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.524 9.278 -8.818 1.00 0.00 H new ATOM 457 N GLU A 30 -4.363 10.200 -7.153 1.00 0.00 N ATOM 458 CA GLU A 30 -5.136 11.373 -7.565 1.00 0.00 C ATOM 459 C GLU A 30 -5.457 12.248 -6.353 1.00 0.00 C ATOM 460 O GLU A 30 -5.353 13.477 -6.407 1.00 0.00 O ATOM 461 CB GLU A 30 -6.440 10.954 -8.264 1.00 0.00 C ATOM 462 CG GLU A 30 -6.242 10.339 -9.646 1.00 0.00 C ATOM 463 CD GLU A 30 -7.562 10.051 -10.351 1.00 0.00 C ATOM 464 OE1 GLU A 30 -8.327 11.009 -10.603 1.00 0.00 O ATOM 465 OE2 GLU A 30 -7.837 8.871 -10.656 1.00 0.00 O ATOM 0 H GLU A 30 -4.804 9.307 -7.371 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.533 11.944 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.963 10.237 -7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.086 11.827 -8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.646 11.015 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.675 9.413 -9.550 1.00 0.00 H new ATOM 472 N PHE A 31 -5.842 11.597 -5.258 1.00 0.00 N ATOM 473 CA PHE A 31 -6.172 12.288 -4.016 1.00 0.00 C ATOM 474 C PHE A 31 -4.890 12.647 -3.255 1.00 0.00 C ATOM 475 O PHE A 31 -4.822 13.661 -2.559 1.00 0.00 O ATOM 476 CB PHE A 31 -7.081 11.396 -3.154 1.00 0.00 C ATOM 477 CG PHE A 31 -7.770 12.124 -2.022 1.00 0.00 C ATOM 478 CD1 PHE A 31 -7.135 12.314 -0.803 1.00 0.00 C ATOM 479 CD2 PHE A 31 -9.060 12.615 -2.183 1.00 0.00 C ATOM 480 CE1 PHE A 31 -7.769 12.979 0.229 1.00 0.00 C ATOM 481 CE2 PHE A 31 -9.697 13.280 -1.152 1.00 0.00 C ATOM 482 CZ PHE A 31 -9.051 13.462 0.054 1.00 0.00 C ATOM 0 H PHE A 31 -5.933 10.582 -5.207 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.703 13.211 -4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.838 10.942 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.485 10.583 -2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.133 11.938 -0.659 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.571 12.475 -3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.262 13.121 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.700 13.657 -1.290 1.00 0.00 H new ATOM 0 HZ PHE A 31 -9.548 13.982 0.860 1.00 0.00 H new ATOM 492 N LEU A 32 -3.872 11.809 -3.418 1.00 0.00 N ATOM 493 CA LEU A 32 -2.580 11.988 -2.752 1.00 0.00 C ATOM 494 C LEU A 32 -1.903 13.278 -3.219 1.00 0.00 C ATOM 495 O LEU A 32 -1.126 13.891 -2.484 1.00 0.00 O ATOM 496 CB LEU A 32 -1.689 10.762 -3.031 1.00 0.00 C ATOM 497 CG LEU A 32 -0.261 10.791 -2.457 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.262 11.175 -0.986 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.413 9.432 -2.648 1.00 0.00 C ATOM 0 H LEU A 32 -3.916 10.984 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.738 12.073 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.194 9.880 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.617 10.634 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 32 0.303 11.549 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.762 11.186 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.702 12.165 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.847 10.449 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.422 9.466 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.163 8.664 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.461 9.196 -3.711 1.00 0.00 H new ATOM 511 N LYS A 33 -2.224 13.704 -4.437 1.00 0.00 N ATOM 512 CA LYS A 33 -1.630 14.914 -4.996 1.00 0.00 C ATOM 513 C LYS A 33 -2.285 16.168 -4.413 1.00 0.00 C ATOM 514 O LYS A 33 -1.853 17.292 -4.682 1.00 0.00 O ATOM 515 CB LYS A 33 -1.716 14.898 -6.531 1.00 0.00 C ATOM 516 CG LYS A 33 -0.835 15.953 -7.198 1.00 0.00 C ATOM 517 CD LYS A 33 -0.586 15.650 -8.673 1.00 0.00 C ATOM 518 CE LYS A 33 0.405 16.634 -9.287 1.00 0.00 C ATOM 519 NZ LYS A 33 0.802 16.241 -10.663 1.00 0.00 N ATOM 0 H LYS A 33 -2.887 13.233 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.576 14.938 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.427 13.912 -6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.752 15.057 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.308 16.930 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.119 16.010 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.204 14.635 -8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.529 15.693 -9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.039 17.629 -9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.293 16.694 -8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.476 16.937 -11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.249 15.302 -10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.041 16.208 -11.271 1.00 0.00 H new ATOM 533 N LYS A 34 -3.315 15.968 -3.596 1.00 0.00 N ATOM 534 CA LYS A 34 -3.987 17.075 -2.925 1.00 0.00 C ATOM 535 C LYS A 34 -3.299 17.384 -1.596 1.00 0.00 C ATOM 536 O LYS A 34 -3.192 18.547 -1.195 1.00 0.00 O ATOM 537 CB LYS A 34 -5.470 16.747 -2.698 1.00 0.00 C ATOM 538 CG LYS A 34 -6.205 16.346 -3.975 1.00 0.00 C ATOM 539 CD LYS A 34 -7.711 16.227 -3.755 1.00 0.00 C ATOM 540 CE LYS A 34 -8.429 15.755 -5.014 1.00 0.00 C ATOM 541 NZ LYS A 34 -9.903 15.909 -4.904 1.00 0.00 N ATOM 0 H LYS A 34 -3.702 15.049 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.924 17.957 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.548 15.937 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.964 17.615 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.010 17.084 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.815 15.394 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.906 15.528 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.111 17.193 -3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.068 16.323 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.186 14.709 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.353 15.577 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.252 15.347 -4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.137 16.911 -4.753 1.00 0.00 H new ATOM 555 N GLU A 35 -2.824 16.341 -0.913 1.00 0.00 N ATOM 556 CA GLU A 35 -2.125 16.521 0.357 1.00 0.00 C ATOM 557 C GLU A 35 -0.647 16.824 0.112 1.00 0.00 C ATOM 558 O GLU A 35 -0.061 17.677 0.787 1.00 0.00 O ATOM 559 CB GLU A 35 -2.290 15.289 1.264 1.00 0.00 C ATOM 560 CG GLU A 35 -1.709 13.993 0.695 1.00 0.00 C ATOM 561 CD GLU A 35 -0.656 13.370 1.604 1.00 0.00 C ATOM 562 OE1 GLU A 35 -1.035 12.823 2.660 1.00 0.00 O ATOM 563 OE2 GLU A 35 0.546 13.433 1.268 1.00 0.00 O ATOM 0 H GLU A 35 -2.910 15.371 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.572 17.371 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.814 15.494 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.352 15.139 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.516 13.277 0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.267 14.196 -0.280 1.00 0.00 H new ATOM 570 N PHE A 36 -0.052 16.153 -0.876 1.00 0.00 N ATOM 571 CA PHE A 36 1.334 16.399 -1.245 1.00 0.00 C ATOM 572 C PHE A 36 1.504 16.211 -2.747 1.00 0.00 C ATOM 573 O PHE A 36 1.480 17.187 -3.502 1.00 0.00 O ATOM 574 CB PHE A 36 2.286 15.474 -0.466 1.00 0.00 C ATOM 575 CG PHE A 36 3.748 15.724 -0.749 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.366 16.882 -0.297 1.00 0.00 C ATOM 577 CD2 PHE A 36 4.503 14.805 -1.468 1.00 0.00 C ATOM 578 CE1 PHE A 36 5.704 17.118 -0.555 1.00 0.00 C ATOM 579 CE2 PHE A 36 5.841 15.039 -1.728 1.00 0.00 C ATOM 580 CZ PHE A 36 6.441 16.195 -1.271 1.00 0.00 C ATOM 0 H PHE A 36 -0.514 15.434 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 36 1.590 17.426 -0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.106 15.599 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.051 14.438 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.795 17.608 0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.040 13.898 -1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.172 18.023 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.416 14.317 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.486 16.378 -1.473 1.00 0.00 H new ATOM 590 N SER A 37 1.627 14.957 -3.183 1.00 0.00 N ATOM 591 CA SER A 37 1.837 14.652 -4.596 1.00 0.00 C ATOM 592 C SER A 37 1.597 13.171 -4.896 1.00 0.00 C ATOM 593 O SER A 37 0.597 12.804 -5.509 1.00 0.00 O ATOM 594 CB SER A 37 3.263 15.023 -5.028 1.00 0.00 C ATOM 595 OG SER A 37 3.535 16.402 -4.851 1.00 0.00 O ATOM 0 H SER A 37 1.585 14.137 -2.577 1.00 0.00 H new ATOM 0 HA SER A 37 1.116 15.246 -5.158 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.979 14.437 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.404 14.758 -6.076 1.00 0.00 H new ATOM 0 HG SER A 37 2.695 16.885 -4.703 1.00 0.00 H new ATOM 601 N ALA A 38 2.513 12.330 -4.421 1.00 0.00 N ATOM 602 CA ALA A 38 2.577 10.921 -4.814 1.00 0.00 C ATOM 603 C ALA A 38 3.861 10.293 -4.288 1.00 0.00 C ATOM 604 O ALA A 38 3.918 9.092 -4.020 1.00 0.00 O ATOM 605 CB ALA A 38 2.517 10.769 -6.336 1.00 0.00 C ATOM 0 H ALA A 38 3.233 12.605 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 38 1.716 10.410 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.566 9.712 -6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.583 11.192 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.358 11.295 -6.788 1.00 0.00 H new ATOM 611 N GLU A 39 4.881 11.136 -4.118 1.00 0.00 N ATOM 612 CA GLU A 39 6.225 10.700 -3.733 1.00 0.00 C ATOM 613 C GLU A 39 6.203 9.761 -2.527 1.00 0.00 C ATOM 614 O GLU A 39 7.097 8.932 -2.370 1.00 0.00 O ATOM 615 CB GLU A 39 7.112 11.917 -3.436 1.00 0.00 C ATOM 616 CG GLU A 39 7.120 12.959 -4.551 1.00 0.00 C ATOM 617 CD GLU A 39 7.387 12.353 -5.921 1.00 0.00 C ATOM 618 OE1 GLU A 39 8.544 11.966 -6.194 1.00 0.00 O ATOM 619 OE2 GLU A 39 6.437 12.260 -6.729 1.00 0.00 O ATOM 0 H GLU A 39 4.798 12.145 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 39 6.639 10.143 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.771 12.388 -2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.133 11.577 -3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.160 13.475 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.881 13.709 -4.336 1.00 0.00 H new ATOM 626 N ASN A 40 5.179 9.892 -1.685 1.00 0.00 N ATOM 627 CA ASN A 40 5.019 9.012 -0.528 1.00 0.00 C ATOM 628 C ASN A 40 4.978 7.551 -0.984 1.00 0.00 C ATOM 629 O ASN A 40 5.811 6.735 -0.580 1.00 0.00 O ATOM 630 CB ASN A 40 3.735 9.352 0.254 1.00 0.00 C ATOM 631 CG ASN A 40 3.657 10.813 0.677 1.00 0.00 C ATOM 632 OD1 ASN A 40 2.449 11.290 0.937 1.00 0.00 O flip ATOM 633 ND2 ASN A 40 4.675 11.497 0.789 1.00 0.00 N flip ATOM 0 H ASN A 40 4.449 10.598 -1.782 1.00 0.00 H new ATOM 0 HA ASN A 40 5.872 9.162 0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.868 9.112 -0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.680 8.721 1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.587 11.092 0.579 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.606 12.469 1.092 1.00 0.00 H new ATOM 640 N VAL A 41 4.024 7.236 -1.859 1.00 0.00 N ATOM 641 CA VAL A 41 3.878 5.876 -2.368 1.00 0.00 C ATOM 642 C VAL A 41 5.004 5.546 -3.342 1.00 0.00 C ATOM 643 O VAL A 41 5.407 4.393 -3.458 1.00 0.00 O ATOM 644 CB VAL A 41 2.506 5.644 -3.055 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.365 5.886 -2.071 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.345 6.519 -4.298 1.00 0.00 C ATOM 0 H VAL A 41 3.345 7.901 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 41 3.932 5.210 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 41 2.469 4.604 -3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.411 5.718 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.459 5.200 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.409 6.913 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.373 6.330 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.415 7.569 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.132 6.283 -5.014 1.00 0.00 H new ATOM 656 N THR A 42 5.516 6.565 -4.029 1.00 0.00 N ATOM 657 CA THR A 42 6.621 6.384 -4.963 1.00 0.00 C ATOM 658 C THR A 42 7.873 5.895 -4.228 1.00 0.00 C ATOM 659 O THR A 42 8.622 5.058 -4.740 1.00 0.00 O ATOM 660 CB THR A 42 6.931 7.696 -5.718 1.00 0.00 C ATOM 661 OG1 THR A 42 5.716 8.238 -6.259 1.00 0.00 O ATOM 662 CG2 THR A 42 7.933 7.467 -6.847 1.00 0.00 C ATOM 0 H THR A 42 5.181 7.526 -3.955 1.00 0.00 H new ATOM 0 HA THR A 42 6.321 5.630 -5.691 1.00 0.00 H new ATOM 0 HB THR A 42 7.372 8.398 -5.010 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.154 8.574 -5.530 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.128 8.410 -7.357 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.864 7.078 -6.434 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.523 6.749 -7.557 1.00 0.00 H new ATOM 670 N PHE A 43 8.083 6.407 -3.013 1.00 0.00 N ATOM 671 CA PHE A 43 9.186 5.955 -2.170 1.00 0.00 C ATOM 672 C PHE A 43 8.950 4.506 -1.752 1.00 0.00 C ATOM 673 O PHE A 43 9.866 3.685 -1.770 1.00 0.00 O ATOM 674 CB PHE A 43 9.327 6.853 -0.932 1.00 0.00 C ATOM 675 CG PHE A 43 10.423 6.419 0.015 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.754 6.485 -0.368 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.121 5.948 1.285 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.760 6.090 0.493 1.00 0.00 C ATOM 679 CE2 PHE A 43 11.125 5.553 2.150 1.00 0.00 C ATOM 680 CZ PHE A 43 12.445 5.622 1.754 1.00 0.00 C ATOM 0 H PHE A 43 7.503 7.134 -2.594 1.00 0.00 H new ATOM 0 HA PHE A 43 10.113 6.017 -2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.524 7.875 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.379 6.866 -0.394 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.008 6.850 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.090 5.889 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.792 6.147 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.876 5.190 3.136 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.230 5.311 2.428 1.00 0.00 H new ATOM 690 N TRP A 44 7.703 4.204 -1.399 1.00 0.00 N ATOM 691 CA TRP A 44 7.306 2.846 -1.040 1.00 0.00 C ATOM 692 C TRP A 44 7.524 1.910 -2.235 1.00 0.00 C ATOM 693 O TRP A 44 7.883 0.740 -2.075 1.00 0.00 O ATOM 694 CB TRP A 44 5.836 2.838 -0.592 1.00 0.00 C ATOM 695 CG TRP A 44 5.397 1.551 0.049 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.616 1.163 1.341 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.652 0.492 -0.567 1.00 0.00 C ATOM 698 NE1 TRP A 44 5.055 -0.071 1.567 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.458 -0.504 0.410 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.130 0.291 -1.848 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.761 -1.682 0.143 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.442 -0.878 -2.112 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.263 -1.852 -1.121 1.00 0.00 C ATOM 0 H TRP A 44 6.946 4.886 -1.354 1.00 0.00 H new ATOM 0 HA TRP A 44 7.919 2.491 -0.211 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.677 3.655 0.112 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.203 3.035 -1.457 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.152 1.742 2.078 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.079 -0.581 2.450 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.262 1.036 -2.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.619 -2.433 0.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.035 -1.044 -3.099 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.721 -2.755 -1.359 1.00 0.00 H new ATOM 714 N LYS A 45 7.324 2.450 -3.440 1.00 0.00 N ATOM 715 CA LYS A 45 7.561 1.706 -4.676 1.00 0.00 C ATOM 716 C LYS A 45 9.048 1.417 -4.851 1.00 0.00 C ATOM 717 O LYS A 45 9.428 0.390 -5.407 1.00 0.00 O ATOM 718 CB LYS A 45 7.036 2.473 -5.898 1.00 0.00 C ATOM 719 CG LYS A 45 5.517 2.602 -5.950 1.00 0.00 C ATOM 720 CD LYS A 45 5.072 3.367 -7.193 1.00 0.00 C ATOM 721 CE LYS A 45 3.557 3.507 -7.268 1.00 0.00 C ATOM 722 NZ LYS A 45 3.134 4.198 -8.515 1.00 0.00 N ATOM 0 H LYS A 45 6.997 3.405 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 45 7.019 0.763 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.475 3.471 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.378 1.970 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.065 1.610 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.162 3.116 -5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.527 4.357 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.433 2.852 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.097 2.520 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.199 4.065 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.097 4.277 -8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.554 5.149 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.455 3.652 -9.340 1.00 0.00 H new ATOM 736 N ALA A 46 9.890 2.326 -4.372 1.00 0.00 N ATOM 737 CA ALA A 46 11.334 2.130 -4.434 1.00 0.00 C ATOM 738 C ALA A 46 11.719 0.827 -3.732 1.00 0.00 C ATOM 739 O ALA A 46 12.693 0.171 -4.102 1.00 0.00 O ATOM 740 CB ALA A 46 12.066 3.318 -3.816 1.00 0.00 C ATOM 0 H ALA A 46 9.599 3.202 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 46 11.632 2.060 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.142 3.152 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.810 4.227 -4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.770 3.425 -2.773 1.00 0.00 H new ATOM 746 N CYS A 47 10.925 0.451 -2.731 1.00 0.00 N ATOM 747 CA CYS A 47 11.138 -0.787 -1.996 1.00 0.00 C ATOM 748 C CYS A 47 10.793 -1.998 -2.862 1.00 0.00 C ATOM 749 O CYS A 47 11.599 -2.923 -3.000 1.00 0.00 O ATOM 750 CB CYS A 47 10.293 -0.798 -0.717 1.00 0.00 C ATOM 751 SG CYS A 47 10.552 -2.244 0.338 1.00 0.00 S ATOM 0 H CYS A 47 10.123 0.994 -2.411 1.00 0.00 H new ATOM 0 HA CYS A 47 12.192 -0.845 -1.725 1.00 0.00 H new ATOM 0 HB2 CYS A 47 10.515 0.101 -0.142 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.239 -0.748 -0.992 1.00 0.00 H new ATOM 0 HG CYS A 47 9.794 -2.155 1.390 1.00 0.00 H new ATOM 757 N GLU A 48 9.598 -1.987 -3.459 1.00 0.00 N ATOM 758 CA GLU A 48 9.134 -3.125 -4.251 1.00 0.00 C ATOM 759 C GLU A 48 9.983 -3.297 -5.509 1.00 0.00 C ATOM 760 O GLU A 48 10.274 -4.419 -5.916 1.00 0.00 O ATOM 761 CB GLU A 48 7.628 -3.011 -4.580 1.00 0.00 C ATOM 762 CG GLU A 48 7.198 -1.741 -5.323 1.00 0.00 C ATOM 763 CD GLU A 48 7.384 -1.812 -6.836 1.00 0.00 C ATOM 764 OE1 GLU A 48 6.923 -2.797 -7.450 1.00 0.00 O ATOM 765 OE2 GLU A 48 7.960 -0.868 -7.426 1.00 0.00 O ATOM 0 H GLU A 48 8.940 -1.209 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 48 9.257 -4.025 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.341 -3.874 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.067 -3.070 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.148 -1.543 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.768 -0.896 -4.937 1.00 0.00 H new ATOM 772 N ARG A 49 10.407 -2.181 -6.096 1.00 0.00 N ATOM 773 CA ARG A 49 11.278 -2.211 -7.271 1.00 0.00 C ATOM 774 C ARG A 49 12.629 -2.824 -6.911 1.00 0.00 C ATOM 775 O ARG A 49 13.229 -3.560 -7.700 1.00 0.00 O ATOM 776 CB ARG A 49 11.502 -0.791 -7.814 1.00 0.00 C ATOM 777 CG ARG A 49 12.215 -0.759 -9.167 1.00 0.00 C ATOM 778 CD ARG A 49 12.976 0.544 -9.389 1.00 0.00 C ATOM 779 NE ARG A 49 12.129 1.733 -9.264 1.00 0.00 N ATOM 780 CZ ARG A 49 12.610 2.978 -9.199 1.00 0.00 C ATOM 781 NH1 ARG A 49 13.926 3.188 -9.204 1.00 0.00 N ATOM 782 NH2 ARG A 49 11.779 4.010 -9.113 1.00 0.00 N ATOM 0 H ARG A 49 10.162 -1.243 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 49 10.792 -2.817 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.538 -0.291 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.087 -0.222 -7.091 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.909 -1.598 -9.230 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.483 -0.890 -9.964 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.791 0.609 -8.669 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.428 0.530 -10.381 1.00 0.00 H new ATOM 0 HE ARG A 49 11.118 1.603 -9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.568 2.398 -9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.291 4.139 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.771 3.853 -9.096 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.148 4.959 -9.063 1.00 0.00 H new ATOM 796 N PHE A 50 13.103 -2.505 -5.711 1.00 0.00 N ATOM 797 CA PHE A 50 14.414 -2.948 -5.250 1.00 0.00 C ATOM 798 C PHE A 50 14.419 -4.454 -4.984 1.00 0.00 C ATOM 799 O PHE A 50 15.340 -5.161 -5.393 1.00 0.00 O ATOM 800 CB PHE A 50 14.804 -2.181 -3.978 1.00 0.00 C ATOM 801 CG PHE A 50 16.245 -2.362 -3.559 1.00 0.00 C ATOM 802 CD1 PHE A 50 16.631 -3.441 -2.776 1.00 0.00 C ATOM 803 CD2 PHE A 50 17.212 -1.441 -3.940 1.00 0.00 C ATOM 804 CE1 PHE A 50 17.946 -3.596 -2.383 1.00 0.00 C ATOM 805 CE2 PHE A 50 18.528 -1.596 -3.550 1.00 0.00 C ATOM 806 CZ PHE A 50 18.896 -2.673 -2.771 1.00 0.00 C ATOM 0 H PHE A 50 12.593 -1.936 -5.035 1.00 0.00 H new ATOM 0 HA PHE A 50 15.145 -2.741 -6.032 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.614 -1.119 -4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 50 14.157 -2.502 -3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 50 15.894 -4.169 -2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.932 -0.594 -4.548 1.00 0.00 H new ATOM 0 HE1 PHE A 50 18.231 -4.440 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 50 19.270 -0.873 -3.855 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.925 -2.794 -2.465 1.00 0.00 H new ATOM 816 N GLN A 51 13.381 -4.945 -4.309 1.00 0.00 N ATOM 817 CA GLN A 51 13.314 -6.359 -3.928 1.00 0.00 C ATOM 818 C GLN A 51 12.985 -7.255 -5.128 1.00 0.00 C ATOM 819 O GLN A 51 12.972 -8.482 -5.007 1.00 0.00 O ATOM 820 CB GLN A 51 12.306 -6.570 -2.790 1.00 0.00 C ATOM 821 CG GLN A 51 10.881 -6.142 -3.118 1.00 0.00 C ATOM 822 CD GLN A 51 9.923 -6.312 -1.945 1.00 0.00 C ATOM 823 OE1 GLN A 51 10.426 -6.162 -0.725 1.00 0.00 O flip ATOM 824 NE2 GLN A 51 8.735 -6.572 -2.134 1.00 0.00 N flip ATOM 0 H GLN A 51 12.578 -4.390 -4.015 1.00 0.00 H new ATOM 0 HA GLN A 51 14.301 -6.649 -3.568 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.301 -7.625 -2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.645 -6.017 -1.914 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.884 -5.097 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.518 -6.726 -3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.382 -6.681 -3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.104 -6.679 -1.340 1.00 0.00 H new ATOM 833 N GLN A 52 12.726 -6.637 -6.282 1.00 0.00 N ATOM 834 CA GLN A 52 12.576 -7.376 -7.538 1.00 0.00 C ATOM 835 C GLN A 52 13.926 -7.949 -7.967 1.00 0.00 C ATOM 836 O GLN A 52 13.996 -8.903 -8.745 1.00 0.00 O ATOM 837 CB GLN A 52 12.025 -6.463 -8.648 1.00 0.00 C ATOM 838 CG GLN A 52 10.566 -6.063 -8.463 1.00 0.00 C ATOM 839 CD GLN A 52 9.610 -7.232 -8.632 1.00 0.00 C ATOM 840 OE1 GLN A 52 9.287 -7.935 -7.674 1.00 0.00 O ATOM 841 NE2 GLN A 52 9.146 -7.443 -9.853 1.00 0.00 N ATOM 0 H GLN A 52 12.616 -5.627 -6.373 1.00 0.00 H new ATOM 0 HA GLN A 52 11.869 -8.190 -7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 52 12.634 -5.560 -8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.132 -6.971 -9.607 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.435 -5.633 -7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.313 -5.285 -9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.437 -6.838 -10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.497 -8.210 -10.026 1.00 0.00 H new ATOM 850 N ILE A 53 14.993 -7.354 -7.444 1.00 0.00 N ATOM 851 CA ILE A 53 16.358 -7.762 -7.760 1.00 0.00 C ATOM 852 C ILE A 53 16.754 -9.001 -6.948 1.00 0.00 C ATOM 853 O ILE A 53 16.425 -9.096 -5.763 1.00 0.00 O ATOM 854 CB ILE A 53 17.352 -6.615 -7.445 1.00 0.00 C ATOM 855 CG1 ILE A 53 16.971 -5.345 -8.223 1.00 0.00 C ATOM 856 CG2 ILE A 53 18.788 -7.033 -7.762 1.00 0.00 C ATOM 857 CD1 ILE A 53 17.800 -4.132 -7.853 1.00 0.00 C ATOM 0 H ILE A 53 14.936 -6.575 -6.788 1.00 0.00 H new ATOM 0 HA ILE A 53 16.398 -7.999 -8.823 1.00 0.00 H new ATOM 0 HB ILE A 53 17.294 -6.397 -6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 53 17.081 -5.537 -9.290 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.919 -5.123 -8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 53 19.465 -6.211 -7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 53 19.055 -7.902 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 53 18.869 -7.285 -8.819 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.474 -3.275 -8.442 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.672 -3.913 -6.793 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.851 -4.334 -8.057 1.00 0.00 H new ATOM 869 N PRO A 54 17.438 -9.981 -7.578 1.00 0.00 N ATOM 870 CA PRO A 54 18.002 -11.131 -6.860 1.00 0.00 C ATOM 871 C PRO A 54 18.887 -10.678 -5.694 1.00 0.00 C ATOM 872 O PRO A 54 19.801 -9.871 -5.873 1.00 0.00 O ATOM 873 CB PRO A 54 18.827 -11.874 -7.933 1.00 0.00 C ATOM 874 CG PRO A 54 18.919 -10.933 -9.094 1.00 0.00 C ATOM 875 CD PRO A 54 17.695 -10.066 -9.026 1.00 0.00 C ATOM 0 HA PRO A 54 17.234 -11.762 -6.413 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.817 -12.131 -7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.344 -12.807 -8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.826 -10.331 -9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 54 18.958 -11.479 -10.036 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.870 -9.084 -9.464 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.855 -10.509 -9.561 1.00 0.00 H new ATOM 883 N ALA A 55 18.614 -11.211 -4.506 1.00 0.00 N ATOM 884 CA ALA A 55 19.268 -10.764 -3.273 1.00 0.00 C ATOM 885 C ALA A 55 20.781 -10.991 -3.295 1.00 0.00 C ATOM 886 O ALA A 55 21.512 -10.434 -2.469 1.00 0.00 O ATOM 887 CB ALA A 55 18.650 -11.467 -2.072 1.00 0.00 C ATOM 0 H ALA A 55 17.937 -11.961 -4.368 1.00 0.00 H new ATOM 0 HA ALA A 55 19.107 -9.689 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 55 19.142 -11.129 -1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.587 -11.231 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.778 -12.544 -2.175 1.00 0.00 H new ATOM 893 N SER A 56 21.251 -11.811 -4.230 1.00 0.00 N ATOM 894 CA SER A 56 22.672 -12.137 -4.321 1.00 0.00 C ATOM 895 C SER A 56 23.385 -11.229 -5.328 1.00 0.00 C ATOM 896 O SER A 56 24.617 -11.190 -5.371 1.00 0.00 O ATOM 897 CB SER A 56 22.845 -13.614 -4.715 1.00 0.00 C ATOM 898 OG SER A 56 24.195 -14.040 -4.581 1.00 0.00 O ATOM 0 H SER A 56 20.669 -12.262 -4.936 1.00 0.00 H new ATOM 0 HA SER A 56 23.125 -11.971 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.204 -14.235 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.519 -13.756 -5.745 1.00 0.00 H new ATOM 0 HG SER A 56 24.794 -13.277 -4.722 1.00 0.00 H new ATOM 904 N ASP A 57 22.620 -10.484 -6.125 1.00 0.00 N ATOM 905 CA ASP A 57 23.197 -9.635 -7.161 1.00 0.00 C ATOM 906 C ASP A 57 23.617 -8.295 -6.561 1.00 0.00 C ATOM 907 O ASP A 57 22.884 -7.305 -6.636 1.00 0.00 O ATOM 908 CB ASP A 57 22.191 -9.427 -8.303 1.00 0.00 C ATOM 909 CG ASP A 57 22.803 -8.811 -9.557 1.00 0.00 C ATOM 910 OD1 ASP A 57 23.948 -8.305 -9.505 1.00 0.00 O ATOM 911 OD2 ASP A 57 22.131 -8.838 -10.611 1.00 0.00 O ATOM 0 H ASP A 57 21.602 -10.452 -6.072 1.00 0.00 H new ATOM 0 HA ASP A 57 24.080 -10.125 -7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 57 21.745 -10.387 -8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.383 -8.785 -7.951 1.00 0.00 H new ATOM 916 N THR A 58 24.793 -8.290 -5.942 1.00 0.00 N ATOM 917 CA THR A 58 25.323 -7.111 -5.267 1.00 0.00 C ATOM 918 C THR A 58 25.347 -5.896 -6.194 1.00 0.00 C ATOM 919 O THR A 58 24.944 -4.796 -5.804 1.00 0.00 O ATOM 920 CB THR A 58 26.754 -7.381 -4.746 1.00 0.00 C ATOM 921 OG1 THR A 58 26.763 -8.580 -3.955 1.00 0.00 O ATOM 922 CG2 THR A 58 27.273 -6.214 -3.912 1.00 0.00 C ATOM 0 H THR A 58 25.406 -9.104 -5.894 1.00 0.00 H new ATOM 0 HA THR A 58 24.661 -6.895 -4.428 1.00 0.00 H new ATOM 0 HB THR A 58 27.410 -7.500 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 58 27.671 -8.749 -3.628 1.00 0.00 H new ATOM 0 HG21 THR A 58 28.281 -6.437 -3.562 1.00 0.00 H new ATOM 0 HG22 THR A 58 27.292 -5.311 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 58 26.617 -6.059 -3.055 1.00 0.00 H new ATOM 930 N GLN A 59 25.801 -6.110 -7.425 1.00 0.00 N ATOM 931 CA GLN A 59 25.962 -5.025 -8.385 1.00 0.00 C ATOM 932 C GLN A 59 24.620 -4.362 -8.695 1.00 0.00 C ATOM 933 O GLN A 59 24.500 -3.136 -8.657 1.00 0.00 O ATOM 934 CB GLN A 59 26.615 -5.543 -9.674 1.00 0.00 C ATOM 935 CG GLN A 59 26.878 -4.456 -10.714 1.00 0.00 C ATOM 936 CD GLN A 59 27.630 -4.958 -11.938 1.00 0.00 C ATOM 937 OE1 GLN A 59 28.507 -5.934 -11.749 1.00 0.00 O flip ATOM 938 NE2 GLN A 59 27.439 -4.453 -13.048 1.00 0.00 N flip ATOM 0 H GLN A 59 26.065 -7.029 -7.781 1.00 0.00 H new ATOM 0 HA GLN A 59 26.615 -4.274 -7.940 1.00 0.00 H new ATOM 0 HB2 GLN A 59 27.558 -6.027 -9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 59 25.972 -6.306 -10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 59 25.926 -4.030 -11.031 1.00 0.00 H new ATOM 0 HG3 GLN A 59 27.449 -3.651 -10.251 1.00 0.00 H new ATOM 0 HE21 GLN A 59 26.756 -3.703 -13.157 1.00 0.00 H new ATOM 0 HE22 GLN A 59 27.964 -4.785 -13.857 1.00 0.00 H new ATOM 947 N GLN A 60 23.607 -5.172 -8.993 1.00 0.00 N ATOM 948 CA GLN A 60 22.293 -4.642 -9.349 1.00 0.00 C ATOM 949 C GLN A 60 21.654 -3.941 -8.146 1.00 0.00 C ATOM 950 O GLN A 60 21.096 -2.847 -8.275 1.00 0.00 O ATOM 951 CB GLN A 60 21.383 -5.762 -9.870 1.00 0.00 C ATOM 952 CG GLN A 60 20.124 -5.252 -10.572 1.00 0.00 C ATOM 953 CD GLN A 60 19.397 -6.315 -11.385 1.00 0.00 C ATOM 954 OE1 GLN A 60 19.547 -7.577 -11.009 1.00 0.00 O flip ATOM 955 NE2 GLN A 60 18.714 -6.000 -12.364 1.00 0.00 N flip ATOM 0 H GLN A 60 23.669 -6.190 -8.995 1.00 0.00 H new ATOM 0 HA GLN A 60 22.421 -3.908 -10.145 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.948 -6.385 -10.563 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.091 -6.399 -9.035 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.440 -4.850 -9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.396 -4.428 -11.231 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.620 -5.019 -12.626 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.244 -6.721 -12.911 1.00 0.00 H new ATOM 964 N LEU A 61 21.767 -4.571 -6.976 1.00 0.00 N ATOM 965 CA LEU A 61 21.235 -4.006 -5.735 1.00 0.00 C ATOM 966 C LEU A 61 21.853 -2.632 -5.456 1.00 0.00 C ATOM 967 O LEU A 61 21.146 -1.671 -5.151 1.00 0.00 O ATOM 968 CB LEU A 61 21.513 -4.950 -4.552 1.00 0.00 C ATOM 969 CG LEU A 61 20.774 -6.298 -4.574 1.00 0.00 C ATOM 970 CD1 LEU A 61 21.294 -7.214 -3.467 1.00 0.00 C ATOM 971 CD2 LEU A 61 19.268 -6.091 -4.430 1.00 0.00 C ATOM 0 H LEU A 61 22.224 -5.476 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 61 20.158 -3.889 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 61 22.584 -5.147 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.252 -4.431 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 61 20.965 -6.775 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 61 20.759 -8.163 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 61 22.359 -7.393 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.135 -6.740 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.765 -7.058 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.058 -5.590 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.905 -5.477 -5.254 1.00 0.00 H new ATOM 983 N ALA A 62 23.177 -2.551 -5.579 1.00 0.00 N ATOM 984 CA ALA A 62 23.915 -1.324 -5.286 1.00 0.00 C ATOM 985 C ALA A 62 23.501 -0.186 -6.218 1.00 0.00 C ATOM 986 O ALA A 62 23.431 0.974 -5.807 1.00 0.00 O ATOM 987 CB ALA A 62 25.416 -1.576 -5.388 1.00 0.00 C ATOM 0 H ALA A 62 23.764 -3.328 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 62 23.673 -1.022 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.955 -0.655 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.705 -2.346 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.662 -1.908 -6.397 1.00 0.00 H new ATOM 993 N GLN A 63 23.219 -0.528 -7.473 1.00 0.00 N ATOM 994 CA GLN A 63 22.828 0.466 -8.472 1.00 0.00 C ATOM 995 C GLN A 63 21.518 1.150 -8.081 1.00 0.00 C ATOM 996 O GLN A 63 21.444 2.383 -8.040 1.00 0.00 O ATOM 997 CB GLN A 63 22.715 -0.188 -9.856 1.00 0.00 C ATOM 998 CG GLN A 63 24.061 -0.623 -10.428 1.00 0.00 C ATOM 999 CD GLN A 63 23.934 -1.416 -11.716 1.00 0.00 C ATOM 1000 OE1 GLN A 63 23.851 -2.727 -11.592 1.00 0.00 O flip ATOM 1001 NE2 GLN A 63 23.922 -0.854 -12.811 1.00 0.00 N flip ATOM 0 H GLN A 63 23.254 -1.485 -7.823 1.00 0.00 H new ATOM 0 HA GLN A 63 23.601 1.233 -8.515 1.00 0.00 H new ATOM 0 HB2 GLN A 63 22.059 -1.056 -9.788 1.00 0.00 H new ATOM 0 HB3 GLN A 63 22.245 0.514 -10.545 1.00 0.00 H new ATOM 0 HG2 GLN A 63 24.673 0.260 -10.611 1.00 0.00 H new ATOM 0 HG3 GLN A 63 24.586 -1.227 -9.687 1.00 0.00 H new ATOM 0 HE21 GLN A 63 23.988 0.162 -12.863 1.00 0.00 H new ATOM 0 HE22 GLN A 63 23.846 -1.405 -13.666 1.00 0.00 H new ATOM 1010 N GLU A 64 20.491 0.358 -7.772 1.00 0.00 N ATOM 1011 CA GLU A 64 19.208 0.915 -7.340 1.00 0.00 C ATOM 1012 C GLU A 64 19.333 1.567 -5.965 1.00 0.00 C ATOM 1013 O GLU A 64 18.641 2.544 -5.672 1.00 0.00 O ATOM 1014 CB GLU A 64 18.105 -0.153 -7.332 1.00 0.00 C ATOM 1015 CG GLU A 64 17.589 -0.510 -8.724 1.00 0.00 C ATOM 1016 CD GLU A 64 17.066 0.705 -9.485 1.00 0.00 C ATOM 1017 OE1 GLU A 64 16.019 1.262 -9.087 1.00 0.00 O ATOM 1018 OE2 GLU A 64 17.702 1.105 -10.486 1.00 0.00 O ATOM 0 H GLU A 64 20.520 -0.661 -7.812 1.00 0.00 H new ATOM 0 HA GLU A 64 18.925 1.682 -8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.487 -1.054 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.272 0.202 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.391 -0.975 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.792 -1.248 -8.634 1.00 0.00 H new ATOM 1025 N ALA A 65 20.224 1.033 -5.129 1.00 0.00 N ATOM 1026 CA ALA A 65 20.501 1.631 -3.826 1.00 0.00 C ATOM 1027 C ALA A 65 21.001 3.060 -4.007 1.00 0.00 C ATOM 1028 O ALA A 65 20.600 3.968 -3.278 1.00 0.00 O ATOM 1029 CB ALA A 65 21.519 0.798 -3.053 1.00 0.00 C ATOM 0 H ALA A 65 20.763 0.191 -5.331 1.00 0.00 H new ATOM 0 HA ALA A 65 19.577 1.652 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 65 21.710 1.263 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 65 21.126 -0.208 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 65 22.449 0.743 -3.619 1.00 0.00 H new ATOM 1035 N ARG A 66 21.869 3.247 -5.003 1.00 0.00 N ATOM 1036 CA ARG A 66 22.388 4.568 -5.344 1.00 0.00 C ATOM 1037 C ARG A 66 21.266 5.468 -5.857 1.00 0.00 C ATOM 1038 O ARG A 66 21.173 6.636 -5.471 1.00 0.00 O ATOM 1039 CB ARG A 66 23.494 4.455 -6.404 1.00 0.00 C ATOM 1040 CG ARG A 66 23.966 5.802 -6.950 1.00 0.00 C ATOM 1041 CD ARG A 66 24.993 5.639 -8.065 1.00 0.00 C ATOM 1042 NE ARG A 66 24.523 4.736 -9.121 1.00 0.00 N ATOM 1043 CZ ARG A 66 23.676 5.078 -10.096 1.00 0.00 C ATOM 1044 NH1 ARG A 66 23.172 6.303 -10.159 1.00 0.00 N ATOM 1045 NH2 ARG A 66 23.333 4.188 -11.016 1.00 0.00 N ATOM 0 H ARG A 66 22.228 2.493 -5.589 1.00 0.00 H new ATOM 0 HA ARG A 66 22.810 5.011 -4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 66 24.346 3.930 -5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 66 23.130 3.846 -7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.109 6.361 -7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 66 24.400 6.389 -6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 66 25.217 6.615 -8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 66 25.923 5.254 -7.647 1.00 0.00 H new ATOM 0 HE ARG A 66 24.868 3.776 -9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 66 23.430 6.997 -9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 66 22.526 6.551 -10.909 1.00 0.00 H new ATOM 0 HH21 ARG A 66 23.716 3.243 -10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 66 22.686 4.448 -11.761 1.00 0.00 H new ATOM 1059 N ASN A 67 20.420 4.917 -6.733 1.00 0.00 N ATOM 1060 CA ASN A 67 19.284 5.663 -7.276 1.00 0.00 C ATOM 1061 C ASN A 67 18.426 6.210 -6.143 1.00 0.00 C ATOM 1062 O ASN A 67 18.305 7.421 -5.972 1.00 0.00 O ATOM 1063 CB ASN A 67 18.420 4.775 -8.190 1.00 0.00 C ATOM 1064 CG ASN A 67 17.195 5.514 -8.720 1.00 0.00 C ATOM 1065 OD1 ASN A 67 17.234 6.114 -9.796 1.00 0.00 O ATOM 1066 ND2 ASN A 67 16.100 5.481 -7.968 1.00 0.00 N ATOM 0 H ASN A 67 20.501 3.961 -7.079 1.00 0.00 H new ATOM 0 HA ASN A 67 19.679 6.489 -7.868 1.00 0.00 H new ATOM 0 HB2 ASN A 67 19.022 4.425 -9.028 1.00 0.00 H new ATOM 0 HB3 ASN A 67 18.099 3.892 -7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.255 5.962 -8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.104 4.974 -7.083 1.00 0.00 H new ATOM 1073 N ILE A 68 17.864 5.297 -5.353 1.00 0.00 N ATOM 1074 CA ILE A 68 16.975 5.659 -4.253 1.00 0.00 C ATOM 1075 C ILE A 68 17.678 6.613 -3.288 1.00 0.00 C ATOM 1076 O ILE A 68 17.070 7.561 -2.779 1.00 0.00 O ATOM 1077 CB ILE A 68 16.492 4.395 -3.492 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.867 3.387 -4.477 1.00 0.00 C ATOM 1079 CG2 ILE A 68 15.488 4.772 -2.400 1.00 0.00 C ATOM 1080 CD1 ILE A 68 15.506 2.051 -3.853 1.00 0.00 C ATOM 0 H ILE A 68 18.011 4.293 -5.457 1.00 0.00 H new ATOM 0 HA ILE A 68 16.105 6.162 -4.676 1.00 0.00 H new ATOM 0 HB ILE A 68 17.354 3.928 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.969 3.828 -4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.565 3.216 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.162 3.872 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.960 5.451 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.626 5.262 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 68 15.073 1.400 -4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 68 16.403 1.586 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.783 2.207 -3.053 1.00 0.00 H new ATOM 1092 N TYR A 69 18.969 6.364 -3.064 1.00 0.00 N ATOM 1093 CA TYR A 69 19.792 7.220 -2.213 1.00 0.00 C ATOM 1094 C TYR A 69 19.713 8.668 -2.690 1.00 0.00 C ATOM 1095 O TYR A 69 19.255 9.546 -1.966 1.00 0.00 O ATOM 1096 CB TYR A 69 21.255 6.741 -2.225 1.00 0.00 C ATOM 1097 CG TYR A 69 22.189 7.536 -1.320 1.00 0.00 C ATOM 1098 CD1 TYR A 69 22.377 7.180 0.011 1.00 0.00 C ATOM 1099 CD2 TYR A 69 22.885 8.643 -1.803 1.00 0.00 C ATOM 1100 CE1 TYR A 69 23.228 7.902 0.832 1.00 0.00 C ATOM 1101 CE2 TYR A 69 23.736 9.366 -0.988 1.00 0.00 C ATOM 1102 CZ TYR A 69 23.904 8.992 0.328 1.00 0.00 C ATOM 1103 OH TYR A 69 24.751 9.713 1.143 1.00 0.00 O ATOM 0 H TYR A 69 19.469 5.570 -3.464 1.00 0.00 H new ATOM 0 HA TYR A 69 19.413 7.162 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 69 21.283 5.694 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 69 21.631 6.790 -3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.851 6.326 0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 69 22.757 8.941 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 69 23.361 7.612 1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 69 24.267 10.220 -1.381 1.00 0.00 H new ATOM 0 HH TYR A 69 25.149 10.448 0.632 1.00 0.00 H new ATOM 1113 N GLN A 70 20.115 8.894 -3.935 1.00 0.00 N ATOM 1114 CA GLN A 70 20.224 10.246 -4.481 1.00 0.00 C ATOM 1115 C GLN A 70 18.881 10.758 -5.002 1.00 0.00 C ATOM 1116 O GLN A 70 18.820 11.820 -5.623 1.00 0.00 O ATOM 1117 CB GLN A 70 21.273 10.276 -5.603 1.00 0.00 C ATOM 1118 CG GLN A 70 22.663 9.842 -5.150 1.00 0.00 C ATOM 1119 CD GLN A 70 23.704 9.890 -6.257 1.00 0.00 C ATOM 1120 OE1 GLN A 70 23.561 10.831 -7.182 1.00 0.00 O flip ATOM 1121 NE2 GLN A 70 24.643 9.093 -6.273 1.00 0.00 N flip ATOM 0 H GLN A 70 20.373 8.156 -4.590 1.00 0.00 H new ATOM 0 HA GLN A 70 20.537 10.907 -3.673 1.00 0.00 H new ATOM 0 HB2 GLN A 70 20.945 9.626 -6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 70 21.331 11.286 -6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.986 10.484 -4.330 1.00 0.00 H new ATOM 0 HG3 GLN A 70 22.608 8.827 -4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 70 24.721 8.382 -5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 70 25.342 9.144 -7.014 1.00 0.00 H new ATOM 1130 N GLU A 71 17.806 10.017 -4.744 1.00 0.00 N ATOM 1131 CA GLU A 71 16.494 10.378 -5.273 1.00 0.00 C ATOM 1132 C GLU A 71 15.526 10.790 -4.163 1.00 0.00 C ATOM 1133 O GLU A 71 14.864 11.826 -4.267 1.00 0.00 O ATOM 1134 CB GLU A 71 15.929 9.213 -6.102 1.00 0.00 C ATOM 1135 CG GLU A 71 14.647 9.535 -6.864 1.00 0.00 C ATOM 1136 CD GLU A 71 14.334 8.495 -7.934 1.00 0.00 C ATOM 1137 OE1 GLU A 71 13.755 7.438 -7.605 1.00 0.00 O ATOM 1138 OE2 GLU A 71 14.669 8.729 -9.113 1.00 0.00 O ATOM 0 H GLU A 71 17.817 9.170 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 71 16.614 11.246 -5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 71 16.688 8.891 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.738 8.371 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.815 9.593 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.740 10.516 -7.330 1.00 0.00 H new ATOM 1145 N PHE A 72 15.458 9.999 -3.094 1.00 0.00 N ATOM 1146 CA PHE A 72 14.534 10.284 -1.988 1.00 0.00 C ATOM 1147 C PHE A 72 15.277 10.530 -0.676 1.00 0.00 C ATOM 1148 O PHE A 72 14.685 10.992 0.299 1.00 0.00 O ATOM 1149 CB PHE A 72 13.566 9.109 -1.775 1.00 0.00 C ATOM 1150 CG PHE A 72 12.699 8.774 -2.962 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.552 9.507 -3.231 1.00 0.00 C ATOM 1152 CD2 PHE A 72 13.019 7.711 -3.795 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.745 9.188 -4.306 1.00 0.00 C ATOM 1154 CE2 PHE A 72 12.216 7.391 -4.872 1.00 0.00 C ATOM 1155 CZ PHE A 72 11.079 8.130 -5.127 1.00 0.00 C ATOM 0 H PHE A 72 16.025 9.161 -2.966 1.00 0.00 H new ATOM 0 HA PHE A 72 13.986 11.185 -2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.145 8.225 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.921 9.338 -0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.287 10.337 -2.592 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.906 7.127 -3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.854 9.766 -4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.478 6.563 -5.514 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.450 7.881 -5.969 1.00 0.00 H new ATOM 1165 N LEU A 73 16.569 10.219 -0.643 1.00 0.00 N ATOM 1166 CA LEU A 73 17.277 10.103 0.631 1.00 0.00 C ATOM 1167 C LEU A 73 18.421 11.111 0.785 1.00 0.00 C ATOM 1168 O LEU A 73 18.708 11.552 1.904 1.00 0.00 O ATOM 1169 CB LEU A 73 17.798 8.665 0.766 1.00 0.00 C ATOM 1170 CG LEU A 73 16.702 7.584 0.686 1.00 0.00 C ATOM 1171 CD1 LEU A 73 17.299 6.207 0.424 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.864 7.576 1.964 1.00 0.00 C ATOM 0 H LEU A 73 17.141 10.045 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 73 16.573 10.336 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.531 8.481 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.319 8.568 1.718 1.00 0.00 H new ATOM 0 HG LEU A 73 16.052 7.828 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.500 5.468 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.842 6.220 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.983 5.947 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 73 15.095 6.807 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.507 7.366 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.392 8.550 2.096 1.00 0.00 H new ATOM 1184 N SER A 74 19.061 11.493 -0.320 1.00 0.00 N ATOM 1185 CA SER A 74 20.260 12.329 -0.251 1.00 0.00 C ATOM 1186 C SER A 74 19.918 13.767 0.147 1.00 0.00 C ATOM 1187 O SER A 74 19.731 14.624 -0.716 1.00 0.00 O ATOM 1188 CB SER A 74 21.007 12.305 -1.589 1.00 0.00 C ATOM 1189 OG SER A 74 20.160 12.708 -2.649 1.00 0.00 O ATOM 0 H SER A 74 18.773 11.240 -1.265 1.00 0.00 H new ATOM 0 HA SER A 74 20.910 11.917 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.872 12.966 -1.539 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.384 11.300 -1.781 1.00 0.00 H new ATOM 0 HG SER A 74 20.704 12.993 -3.412 1.00 0.00 H new ATOM 1195 N SER A 75 19.807 13.991 1.460 1.00 0.00 N ATOM 1196 CA SER A 75 19.567 15.317 2.046 1.00 0.00 C ATOM 1197 C SER A 75 18.489 16.108 1.288 1.00 0.00 C ATOM 1198 O SER A 75 17.305 16.035 1.629 1.00 0.00 O ATOM 1199 CB SER A 75 20.883 16.110 2.131 1.00 0.00 C ATOM 1200 OG SER A 75 21.525 16.193 0.868 1.00 0.00 O ATOM 0 H SER A 75 19.882 13.249 2.156 1.00 0.00 H new ATOM 0 HA SER A 75 19.185 15.163 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.680 17.114 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.550 15.633 2.849 1.00 0.00 H new ATOM 0 HG SER A 75 22.356 16.704 0.957 1.00 0.00 H new ATOM 1206 N GLN A 76 18.906 16.827 0.248 1.00 0.00 N ATOM 1207 CA GLN A 76 18.015 17.669 -0.548 1.00 0.00 C ATOM 1208 C GLN A 76 17.836 17.055 -1.936 1.00 0.00 C ATOM 1209 O GLN A 76 18.014 17.722 -2.963 1.00 0.00 O ATOM 1210 CB GLN A 76 18.593 19.089 -0.653 1.00 0.00 C ATOM 1211 CG GLN A 76 18.832 19.761 0.701 1.00 0.00 C ATOM 1212 CD GLN A 76 19.441 21.152 0.586 1.00 0.00 C ATOM 1213 OE1 GLN A 76 19.108 21.868 -0.477 1.00 0.00 O flip ATOM 1214 NE2 GLN A 76 20.196 21.589 1.457 1.00 0.00 N flip ATOM 0 H GLN A 76 19.876 16.842 -0.068 1.00 0.00 H new ATOM 0 HA GLN A 76 17.041 17.729 -0.063 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.536 19.048 -1.199 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.912 19.706 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.885 19.830 1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 76 19.491 19.132 1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 76 20.432 21.011 2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 76 20.584 22.528 1.371 1.00 0.00 H new ATOM 1223 N ALA A 77 17.507 15.768 -1.944 1.00 0.00 N ATOM 1224 CA ALA A 77 17.310 15.004 -3.176 1.00 0.00 C ATOM 1225 C ALA A 77 16.092 15.494 -3.967 1.00 0.00 C ATOM 1226 O ALA A 77 15.523 16.545 -3.664 1.00 0.00 O ATOM 1227 CB ALA A 77 17.162 13.528 -2.835 1.00 0.00 C ATOM 0 H ALA A 77 17.368 15.221 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 77 18.184 15.151 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 77 17.015 12.956 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 77 18.063 13.179 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.302 13.390 -2.179 1.00 0.00 H new ATOM 1233 N LEU A 78 15.700 14.717 -4.981 1.00 0.00 N ATOM 1234 CA LEU A 78 14.561 15.062 -5.835 1.00 0.00 C ATOM 1235 C LEU A 78 13.288 15.200 -5.002 1.00 0.00 C ATOM 1236 O LEU A 78 12.570 16.197 -5.107 1.00 0.00 O ATOM 1237 CB LEU A 78 14.358 14.004 -6.940 1.00 0.00 C ATOM 1238 CG LEU A 78 15.415 13.986 -8.064 1.00 0.00 C ATOM 1239 CD1 LEU A 78 15.501 15.346 -8.754 1.00 0.00 C ATOM 1240 CD2 LEU A 78 16.783 13.557 -7.535 1.00 0.00 C ATOM 0 H LEU A 78 16.158 13.840 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 78 14.777 16.019 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 78 14.337 13.019 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.379 14.163 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 78 15.099 13.249 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 78 16.253 15.307 -9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.533 15.596 -9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 78 15.779 16.107 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 78 17.505 13.555 -8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 78 17.110 14.254 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 78 16.711 12.555 -7.111 1.00 0.00 H new ATOM 1252 N SER A 79 13.015 14.201 -4.175 1.00 0.00 N ATOM 1253 CA SER A 79 11.870 14.240 -3.275 1.00 0.00 C ATOM 1254 C SER A 79 12.215 13.581 -1.935 1.00 0.00 C ATOM 1255 O SER A 79 11.882 12.421 -1.687 1.00 0.00 O ATOM 1256 CB SER A 79 10.652 13.575 -3.935 1.00 0.00 C ATOM 1257 OG SER A 79 11.008 12.367 -4.585 1.00 0.00 O ATOM 0 H SER A 79 13.573 13.350 -4.108 1.00 0.00 H new ATOM 0 HA SER A 79 11.615 15.280 -3.073 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.893 13.373 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.209 14.261 -4.657 1.00 0.00 H new ATOM 0 HG SER A 79 11.018 11.635 -3.933 1.00 0.00 H new ATOM 1263 N PRO A 80 12.922 14.320 -1.056 1.00 0.00 N ATOM 1264 CA PRO A 80 13.323 13.811 0.255 1.00 0.00 C ATOM 1265 C PRO A 80 12.147 13.763 1.233 1.00 0.00 C ATOM 1266 O PRO A 80 11.794 14.771 1.857 1.00 0.00 O ATOM 1267 CB PRO A 80 14.395 14.810 0.708 1.00 0.00 C ATOM 1268 CG PRO A 80 14.032 16.089 0.031 1.00 0.00 C ATOM 1269 CD PRO A 80 13.386 15.705 -1.279 1.00 0.00 C ATOM 0 HA PRO A 80 13.687 12.785 0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.398 14.923 1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 80 15.392 14.478 0.419 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.348 16.674 0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 80 14.916 16.705 -0.137 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.557 16.369 -1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.095 15.760 -2.105 1.00 0.00 H new ATOM 1277 N VAL A 81 11.530 12.589 1.335 1.00 0.00 N ATOM 1278 CA VAL A 81 10.388 12.375 2.223 1.00 0.00 C ATOM 1279 C VAL A 81 10.776 12.584 3.691 1.00 0.00 C ATOM 1280 O VAL A 81 11.961 12.567 4.040 1.00 0.00 O ATOM 1281 CB VAL A 81 9.790 10.956 2.036 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.210 10.793 0.631 1.00 0.00 C ATOM 1283 CG2 VAL A 81 10.844 9.885 2.313 1.00 0.00 C ATOM 0 H VAL A 81 11.805 11.761 0.807 1.00 0.00 H new ATOM 0 HA VAL A 81 9.631 13.112 1.955 1.00 0.00 H new ATOM 0 HB VAL A 81 8.980 10.831 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.796 9.790 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.422 11.530 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.998 10.942 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.404 8.897 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.679 10.009 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.202 9.984 3.338 1.00 0.00 H new ATOM 1293 N ASN A 82 9.772 12.773 4.549 1.00 0.00 N ATOM 1294 CA ASN A 82 10.008 13.083 5.960 1.00 0.00 C ATOM 1295 C ASN A 82 10.481 11.850 6.733 1.00 0.00 C ATOM 1296 O ASN A 82 9.696 11.177 7.403 1.00 0.00 O ATOM 1297 CB ASN A 82 8.745 13.666 6.618 1.00 0.00 C ATOM 1298 CG ASN A 82 8.963 14.059 8.079 1.00 0.00 C ATOM 1299 OD1 ASN A 82 10.153 14.557 8.404 1.00 0.00 O flip ATOM 1300 ND2 ASN A 82 8.058 13.946 8.905 1.00 0.00 N flip ATOM 0 H ASN A 82 8.787 12.717 4.291 1.00 0.00 H new ATOM 0 HA ASN A 82 10.798 13.833 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.420 14.542 6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.940 12.933 6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.156 13.560 8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.209 14.238 9.870 1.00 0.00 H new ATOM 1307 N ILE A 83 11.762 11.542 6.589 1.00 0.00 N ATOM 1308 CA ILE A 83 12.419 10.491 7.362 1.00 0.00 C ATOM 1309 C ILE A 83 13.814 10.979 7.757 1.00 0.00 C ATOM 1310 O ILE A 83 14.320 11.937 7.166 1.00 0.00 O ATOM 1311 CB ILE A 83 12.497 9.151 6.572 1.00 0.00 C ATOM 1312 CG1 ILE A 83 13.272 9.347 5.258 1.00 0.00 C ATOM 1313 CG2 ILE A 83 11.098 8.614 6.299 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.269 8.137 4.348 1.00 0.00 C ATOM 0 H ILE A 83 12.380 12.015 5.930 1.00 0.00 H new ATOM 0 HA ILE A 83 11.830 10.286 8.256 1.00 0.00 H new ATOM 0 HB ILE A 83 13.032 8.420 7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.844 10.193 4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 83 14.304 9.608 5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.169 7.677 5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.584 8.439 7.244 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.538 9.341 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 83 13.837 8.360 3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 83 13.725 7.292 4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.243 7.887 4.079 1.00 0.00 H new ATOM 1326 N ASP A 84 14.430 10.325 8.736 1.00 0.00 N ATOM 1327 CA ASP A 84 15.613 10.870 9.413 1.00 0.00 C ATOM 1328 C ASP A 84 16.818 11.056 8.472 1.00 0.00 C ATOM 1329 O ASP A 84 17.251 12.186 8.235 1.00 0.00 O ATOM 1330 CB ASP A 84 15.999 9.980 10.613 1.00 0.00 C ATOM 1331 CG ASP A 84 16.570 8.630 10.202 1.00 0.00 C ATOM 1332 OD1 ASP A 84 15.860 7.858 9.522 1.00 0.00 O ATOM 1333 OD2 ASP A 84 17.748 8.355 10.523 1.00 0.00 O ATOM 0 H ASP A 84 14.132 9.413 9.083 1.00 0.00 H new ATOM 0 HA ASP A 84 15.341 11.864 9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.732 10.505 11.225 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.119 9.820 11.236 1.00 0.00 H new ATOM 1338 N ARG A 85 17.341 9.952 7.931 1.00 0.00 N ATOM 1339 CA ARG A 85 18.622 9.952 7.208 1.00 0.00 C ATOM 1340 C ARG A 85 19.752 10.488 8.098 1.00 0.00 C ATOM 1341 O ARG A 85 20.783 10.951 7.603 1.00 0.00 O ATOM 1342 CB ARG A 85 18.540 10.768 5.904 1.00 0.00 C ATOM 1343 CG ARG A 85 17.550 10.213 4.875 1.00 0.00 C ATOM 1344 CD ARG A 85 16.306 11.087 4.744 1.00 0.00 C ATOM 1345 NE ARG A 85 16.584 12.359 4.066 1.00 0.00 N ATOM 1346 CZ ARG A 85 15.806 13.446 4.161 1.00 0.00 C ATOM 1347 NH1 ARG A 85 14.778 13.465 4.998 1.00 0.00 N ATOM 1348 NH2 ARG A 85 16.073 14.531 3.443 1.00 0.00 N ATOM 0 H ARG A 85 16.894 9.037 7.980 1.00 0.00 H new ATOM 0 HA ARG A 85 18.843 8.918 6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 85 18.257 11.792 6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 85 19.531 10.809 5.452 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.042 10.135 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.255 9.204 5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.540 10.543 4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.901 11.288 5.736 1.00 0.00 H new ATOM 0 HE ARG A 85 17.421 12.419 3.487 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.575 12.649 5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.190 14.296 5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.875 14.541 2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.476 15.354 3.521 1.00 0.00 H new ATOM 1362 N GLN A 86 19.563 10.391 9.417 1.00 0.00 N ATOM 1363 CA GLN A 86 20.537 10.897 10.390 1.00 0.00 C ATOM 1364 C GLN A 86 21.176 9.733 11.142 1.00 0.00 C ATOM 1365 O GLN A 86 22.401 9.603 11.193 1.00 0.00 O ATOM 1366 CB GLN A 86 19.859 11.855 11.382 1.00 0.00 C ATOM 1367 CG GLN A 86 19.061 12.970 10.715 1.00 0.00 C ATOM 1368 CD GLN A 86 19.895 13.810 9.761 1.00 0.00 C ATOM 1369 OE1 GLN A 86 21.093 14.005 9.966 1.00 0.00 O ATOM 1370 NE2 GLN A 86 19.270 14.297 8.700 1.00 0.00 N ATOM 0 H GLN A 86 18.738 9.964 9.838 1.00 0.00 H new ATOM 0 HA GLN A 86 21.312 11.444 9.854 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.194 11.282 12.029 1.00 0.00 H new ATOM 0 HB3 GLN A 86 20.621 12.300 12.022 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.224 12.534 10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.638 13.616 11.484 1.00 0.00 H new ATOM 0 HE21 GLN A 86 18.276 14.114 8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 86 19.783 14.856 8.018 1.00 0.00 H new ATOM 1379 N ALA A 87 20.327 8.879 11.709 1.00 0.00 N ATOM 1380 CA ALA A 87 20.770 7.660 12.389 1.00 0.00 C ATOM 1381 C ALA A 87 20.766 6.503 11.395 1.00 0.00 C ATOM 1382 O ALA A 87 20.807 5.329 11.767 1.00 0.00 O ATOM 1383 CB ALA A 87 19.854 7.358 13.570 1.00 0.00 C ATOM 0 H ALA A 87 19.315 9.010 11.711 1.00 0.00 H new ATOM 0 HA ALA A 87 21.782 7.799 12.770 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.191 6.450 14.069 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.881 8.190 14.273 1.00 0.00 H new ATOM 0 HB3 ALA A 87 18.834 7.218 13.213 1.00 0.00 H new ATOM 1389 N TRP A 88 20.745 6.880 10.124 1.00 0.00 N ATOM 1390 CA TRP A 88 20.579 5.964 9.008 1.00 0.00 C ATOM 1391 C TRP A 88 21.812 5.073 8.811 1.00 0.00 C ATOM 1392 O TRP A 88 22.811 5.210 9.519 1.00 0.00 O ATOM 1393 CB TRP A 88 20.313 6.808 7.760 1.00 0.00 C ATOM 1394 CG TRP A 88 19.623 6.086 6.652 1.00 0.00 C ATOM 1395 CD1 TRP A 88 18.574 5.224 6.761 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.916 6.194 5.260 1.00 0.00 C ATOM 1397 NE1 TRP A 88 18.195 4.788 5.518 1.00 0.00 N ATOM 1398 CE2 TRP A 88 19.008 5.369 4.580 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.861 6.910 4.524 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 19.017 5.242 3.200 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.868 6.783 3.152 1.00 0.00 C ATOM 1402 CH2 TRP A 88 19.951 5.954 2.502 1.00 0.00 C ATOM 0 H TRP A 88 20.845 7.853 9.836 1.00 0.00 H new ATOM 0 HA TRP A 88 19.745 5.290 9.206 1.00 0.00 H new ATOM 0 HB2 TRP A 88 19.710 7.671 8.044 1.00 0.00 H new ATOM 0 HB3 TRP A 88 21.263 7.192 7.389 1.00 0.00 H new ATOM 0 HD1 TRP A 88 18.109 4.928 7.690 1.00 0.00 H new ATOM 0 HE1 TRP A 88 17.433 4.138 5.323 1.00 0.00 H new ATOM 0 HE3 TRP A 88 21.574 7.552 5.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.310 4.602 2.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 21.593 7.333 2.571 1.00 0.00 H new ATOM 0 HH2 TRP A 88 19.981 5.874 1.425 1.00 0.00 H new ATOM 1413 N LEU A 89 21.733 4.169 7.832 1.00 0.00 N ATOM 1414 CA LEU A 89 22.812 3.222 7.546 1.00 0.00 C ATOM 1415 C LEU A 89 23.196 3.259 6.063 1.00 0.00 C ATOM 1416 O LEU A 89 23.675 2.274 5.507 1.00 0.00 O ATOM 1417 CB LEU A 89 22.421 1.782 7.986 1.00 0.00 C ATOM 1418 CG LEU A 89 21.004 1.257 7.613 1.00 0.00 C ATOM 1419 CD1 LEU A 89 19.907 1.998 8.377 1.00 0.00 C ATOM 1420 CD2 LEU A 89 20.748 1.323 6.106 1.00 0.00 C ATOM 0 H LEU A 89 20.924 4.073 7.218 1.00 0.00 H new ATOM 0 HA LEU A 89 23.685 3.523 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 89 23.153 1.094 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 89 22.522 1.726 9.070 1.00 0.00 H new ATOM 0 HG LEU A 89 20.973 0.209 7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 89 18.933 1.603 8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 89 20.053 1.860 9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.952 3.061 8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.748 0.947 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 89 20.828 2.356 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 89 21.485 0.713 5.585 1.00 0.00 H new ATOM 1432 N GLY A 90 23.018 4.415 5.437 1.00 0.00 N ATOM 1433 CA GLY A 90 23.270 4.547 4.010 1.00 0.00 C ATOM 1434 C GLY A 90 24.697 4.205 3.620 1.00 0.00 C ATOM 1435 O GLY A 90 24.936 3.617 2.567 1.00 0.00 O ATOM 0 H GLY A 90 22.702 5.271 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.586 3.897 3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.051 5.569 3.702 1.00 0.00 H new ATOM 1439 N GLU A 91 25.642 4.546 4.486 1.00 0.00 N ATOM 1440 CA GLU A 91 27.061 4.358 4.194 1.00 0.00 C ATOM 1441 C GLU A 91 27.401 2.893 3.892 1.00 0.00 C ATOM 1442 O GLU A 91 28.397 2.610 3.217 1.00 0.00 O ATOM 1443 CB GLU A 91 27.914 4.871 5.357 1.00 0.00 C ATOM 1444 CG GLU A 91 27.654 6.333 5.702 1.00 0.00 C ATOM 1445 CD GLU A 91 28.644 6.880 6.714 1.00 0.00 C ATOM 1446 OE1 GLU A 91 28.524 6.552 7.914 1.00 0.00 O ATOM 1447 OE2 GLU A 91 29.554 7.637 6.313 1.00 0.00 O ATOM 0 H GLU A 91 25.453 4.956 5.401 1.00 0.00 H new ATOM 0 HA GLU A 91 27.287 4.935 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.721 4.258 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.968 4.747 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 91 27.703 6.931 4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 91 26.643 6.435 6.097 1.00 0.00 H new ATOM 1454 N GLU A 92 26.580 1.964 4.386 1.00 0.00 N ATOM 1455 CA GLU A 92 26.812 0.540 4.139 1.00 0.00 C ATOM 1456 C GLU A 92 26.016 0.050 2.930 1.00 0.00 C ATOM 1457 O GLU A 92 26.448 -0.867 2.242 1.00 0.00 O ATOM 1458 CB GLU A 92 26.463 -0.315 5.372 1.00 0.00 C ATOM 1459 CG GLU A 92 24.986 -0.292 5.756 1.00 0.00 C ATOM 1460 CD GLU A 92 24.620 -1.342 6.795 1.00 0.00 C ATOM 1461 OE1 GLU A 92 25.120 -1.260 7.938 1.00 0.00 O ATOM 1462 OE2 GLU A 92 23.821 -2.252 6.477 1.00 0.00 O ATOM 0 H GLU A 92 25.757 2.169 4.953 1.00 0.00 H new ATOM 0 HA GLU A 92 27.876 0.426 3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 92 26.760 -1.346 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 92 27.052 0.034 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 92 24.733 0.695 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.382 -0.449 4.862 1.00 0.00 H new ATOM 1469 N VAL A 93 24.870 0.678 2.654 1.00 0.00 N ATOM 1470 CA VAL A 93 23.971 0.182 1.607 1.00 0.00 C ATOM 1471 C VAL A 93 24.586 0.359 0.214 1.00 0.00 C ATOM 1472 O VAL A 93 24.245 -0.368 -0.719 1.00 0.00 O ATOM 1473 CB VAL A 93 22.566 0.852 1.658 1.00 0.00 C ATOM 1474 CG1 VAL A 93 22.594 2.282 1.123 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.542 0.005 0.900 1.00 0.00 C ATOM 0 H VAL A 93 24.545 1.518 3.132 1.00 0.00 H new ATOM 0 HA VAL A 93 23.836 -0.882 1.802 1.00 0.00 H new ATOM 0 HB VAL A 93 22.267 0.908 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 93 21.593 2.710 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 93 23.279 2.882 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.930 2.276 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.566 0.487 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.850 -0.093 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 93 21.480 -0.984 1.355 1.00 0.00 H new ATOM 1485 N LEU A 94 25.492 1.330 0.079 1.00 0.00 N ATOM 1486 CA LEU A 94 26.221 1.532 -1.177 1.00 0.00 C ATOM 1487 C LEU A 94 27.289 0.449 -1.354 1.00 0.00 C ATOM 1488 O LEU A 94 27.668 0.108 -2.479 1.00 0.00 O ATOM 1489 CB LEU A 94 26.884 2.925 -1.222 1.00 0.00 C ATOM 1490 CG LEU A 94 25.954 4.124 -1.502 1.00 0.00 C ATOM 1491 CD1 LEU A 94 25.194 3.931 -2.811 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.988 4.360 -0.347 1.00 0.00 C ATOM 0 H LEU A 94 25.738 1.986 0.820 1.00 0.00 H new ATOM 0 HA LEU A 94 25.500 1.466 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 94 27.382 3.096 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 94 27.659 2.909 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 94 26.581 5.011 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 94 24.546 4.790 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 94 25.903 3.839 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 94 24.589 3.026 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 94 24.347 5.212 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 94 24.373 3.472 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 94 25.552 4.565 0.563 1.00 0.00 H new ATOM 1504 N ALA A 95 27.773 -0.082 -0.234 1.00 0.00 N ATOM 1505 CA ALA A 95 28.818 -1.102 -0.248 1.00 0.00 C ATOM 1506 C ALA A 95 28.203 -2.498 -0.258 1.00 0.00 C ATOM 1507 O ALA A 95 28.327 -3.236 -1.238 1.00 0.00 O ATOM 1508 CB ALA A 95 29.738 -0.927 0.956 1.00 0.00 C ATOM 0 H ALA A 95 27.456 0.179 0.700 1.00 0.00 H new ATOM 0 HA ALA A 95 29.409 -0.985 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.513 -1.693 0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 95 30.201 0.059 0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.158 -1.022 1.874 1.00 0.00 H new ATOM 1514 N GLU A 96 27.536 -2.848 0.837 1.00 0.00 N ATOM 1515 CA GLU A 96 26.870 -4.139 0.977 1.00 0.00 C ATOM 1516 C GLU A 96 25.352 -3.945 1.036 1.00 0.00 C ATOM 1517 O GLU A 96 24.788 -3.734 2.112 1.00 0.00 O ATOM 1518 CB GLU A 96 27.357 -4.852 2.246 1.00 0.00 C ATOM 1519 CG GLU A 96 28.855 -5.131 2.261 1.00 0.00 C ATOM 1520 CD GLU A 96 29.288 -6.062 1.139 1.00 0.00 C ATOM 1521 OE1 GLU A 96 29.027 -7.282 1.238 1.00 0.00 O ATOM 1522 OE2 GLU A 96 29.893 -5.586 0.158 1.00 0.00 O ATOM 0 H GLU A 96 27.442 -2.244 1.654 1.00 0.00 H new ATOM 0 HA GLU A 96 27.115 -4.754 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 96 27.102 -4.243 3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 96 26.821 -5.795 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 96 29.397 -4.189 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 96 29.129 -5.571 3.220 1.00 0.00 H new ATOM 1529 N PRO A 97 24.676 -3.982 -0.125 1.00 0.00 N ATOM 1530 CA PRO A 97 23.221 -3.829 -0.196 1.00 0.00 C ATOM 1531 C PRO A 97 22.481 -5.131 0.130 1.00 0.00 C ATOM 1532 O PRO A 97 23.077 -6.214 0.147 1.00 0.00 O ATOM 1533 CB PRO A 97 22.998 -3.418 -1.653 1.00 0.00 C ATOM 1534 CG PRO A 97 24.100 -4.089 -2.404 1.00 0.00 C ATOM 1535 CD PRO A 97 25.278 -4.156 -1.463 1.00 0.00 C ATOM 0 HA PRO A 97 22.838 -3.110 0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.020 -3.740 -2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.040 -2.335 -1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 97 23.801 -5.087 -2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.353 -3.529 -3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 97 25.801 -5.109 -1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.006 -3.374 -1.678 1.00 0.00 H new ATOM 1543 N ARG A 98 21.181 -5.010 0.387 1.00 0.00 N ATOM 1544 CA ARG A 98 20.332 -6.151 0.726 1.00 0.00 C ATOM 1545 C ARG A 98 18.873 -5.799 0.425 1.00 0.00 C ATOM 1546 O ARG A 98 18.520 -4.620 0.435 1.00 0.00 O ATOM 1547 CB ARG A 98 20.495 -6.519 2.214 1.00 0.00 C ATOM 1548 CG ARG A 98 19.968 -5.458 3.179 1.00 0.00 C ATOM 1549 CD ARG A 98 20.174 -5.855 4.638 1.00 0.00 C ATOM 1550 NE ARG A 98 19.515 -4.923 5.563 1.00 0.00 N ATOM 1551 CZ ARG A 98 20.150 -3.979 6.265 1.00 0.00 C ATOM 1552 NH1 ARG A 98 21.457 -3.787 6.106 1.00 0.00 N ATOM 1553 NH2 ARG A 98 19.469 -3.218 7.111 1.00 0.00 N ATOM 0 H ARG A 98 20.686 -4.119 0.366 1.00 0.00 H new ATOM 0 HA ARG A 98 20.630 -7.012 0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 98 19.976 -7.458 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 98 21.551 -6.691 2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.473 -4.511 2.987 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.906 -5.296 2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 98 19.784 -6.860 4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.241 -5.888 4.857 1.00 0.00 H new ATOM 0 HE ARG A 98 18.504 -5.002 5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.980 -4.362 5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.936 -3.065 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.464 -3.354 7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 98 19.950 -2.497 7.649 1.00 0.00 H new ATOM 1567 N PRO A 99 18.010 -6.802 0.154 1.00 0.00 N ATOM 1568 CA PRO A 99 16.585 -6.570 -0.164 1.00 0.00 C ATOM 1569 C PRO A 99 15.758 -6.231 1.084 1.00 0.00 C ATOM 1570 O PRO A 99 14.688 -6.800 1.317 1.00 0.00 O ATOM 1571 CB PRO A 99 16.155 -7.915 -0.762 1.00 0.00 C ATOM 1572 CG PRO A 99 17.012 -8.916 -0.069 1.00 0.00 C ATOM 1573 CD PRO A 99 18.348 -8.243 0.130 1.00 0.00 C ATOM 0 HA PRO A 99 16.434 -5.721 -0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.097 -8.108 -0.587 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.309 -7.938 -1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.576 -9.210 0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.115 -9.823 -0.665 1.00 0.00 H new ATOM 0 HD2 PRO A 99 18.822 -8.559 1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.041 -8.479 -0.678 1.00 0.00 H new ATOM 1581 N ASP A 100 16.245 -5.266 1.853 1.00 0.00 N ATOM 1582 CA ASP A 100 15.644 -4.886 3.129 1.00 0.00 C ATOM 1583 C ASP A 100 16.057 -3.458 3.469 1.00 0.00 C ATOM 1584 O ASP A 100 15.217 -2.573 3.599 1.00 0.00 O ATOM 1585 CB ASP A 100 16.100 -5.859 4.229 1.00 0.00 C ATOM 1586 CG ASP A 100 15.716 -5.405 5.628 1.00 0.00 C ATOM 1587 OD1 ASP A 100 14.550 -5.608 6.028 1.00 0.00 O ATOM 1588 OD2 ASP A 100 16.590 -4.859 6.338 1.00 0.00 O ATOM 0 H ASP A 100 17.072 -4.721 1.610 1.00 0.00 H new ATOM 0 HA ASP A 100 14.557 -4.934 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 100 15.664 -6.840 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.183 -5.975 4.176 1.00 0.00 H new ATOM 1593 N MET A 101 17.375 -3.281 3.592 1.00 0.00 N ATOM 1594 CA MET A 101 18.061 -1.983 3.752 1.00 0.00 C ATOM 1595 C MET A 101 17.225 -0.875 4.435 1.00 0.00 C ATOM 1596 O MET A 101 17.503 -0.509 5.578 1.00 0.00 O ATOM 1597 CB MET A 101 18.638 -1.503 2.395 1.00 0.00 C ATOM 1598 CG MET A 101 17.610 -1.123 1.328 1.00 0.00 C ATOM 1599 SD MET A 101 16.576 -2.499 0.797 1.00 0.00 S ATOM 1600 CE MET A 101 15.314 -1.637 -0.139 1.00 0.00 C ATOM 0 H MET A 101 18.026 -4.066 3.583 1.00 0.00 H new ATOM 0 HA MET A 101 18.876 -2.172 4.450 1.00 0.00 H new ATOM 0 HB2 MET A 101 19.278 -0.640 2.579 1.00 0.00 H new ATOM 0 HB3 MET A 101 19.275 -2.292 1.994 1.00 0.00 H new ATOM 0 HG2 MET A 101 16.972 -0.329 1.717 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.132 -0.717 0.462 1.00 0.00 H new ATOM 0 HE1 MET A 101 14.598 -2.358 -0.533 1.00 0.00 H new ATOM 0 HE2 MET A 101 14.798 -0.931 0.511 1.00 0.00 H new ATOM 0 HE3 MET A 101 15.778 -1.098 -0.965 1.00 0.00 H new ATOM 1610 N PHE A 102 16.209 -0.345 3.748 1.00 0.00 N ATOM 1611 CA PHE A 102 15.488 0.847 4.212 1.00 0.00 C ATOM 1612 C PHE A 102 14.125 0.469 4.787 1.00 0.00 C ATOM 1613 O PHE A 102 13.225 1.307 4.856 1.00 0.00 O ATOM 1614 CB PHE A 102 15.295 1.845 3.053 1.00 0.00 C ATOM 1615 CG PHE A 102 16.534 2.095 2.223 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.797 2.088 2.801 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.432 2.326 0.856 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.927 2.303 2.034 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.561 2.546 0.088 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.808 2.532 0.679 1.00 0.00 C ATOM 0 H PHE A 102 15.865 -0.723 2.865 1.00 0.00 H new ATOM 0 HA PHE A 102 16.085 1.314 4.995 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.505 1.474 2.400 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.951 2.795 3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.897 1.913 3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.459 2.334 0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.903 2.292 2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.467 2.728 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.691 2.700 0.080 1.00 0.00 H new ATOM 1630 N ARG A 103 13.996 -0.788 5.211 1.00 0.00 N ATOM 1631 CA ARG A 103 12.728 -1.342 5.698 1.00 0.00 C ATOM 1632 C ARG A 103 12.013 -0.375 6.648 1.00 0.00 C ATOM 1633 O ARG A 103 10.836 -0.057 6.458 1.00 0.00 O ATOM 1634 CB ARG A 103 12.985 -2.678 6.412 1.00 0.00 C ATOM 1635 CG ARG A 103 11.718 -3.461 6.756 1.00 0.00 C ATOM 1636 CD ARG A 103 11.022 -3.994 5.506 1.00 0.00 C ATOM 1637 NE ARG A 103 9.804 -4.744 5.832 1.00 0.00 N ATOM 1638 CZ ARG A 103 9.375 -5.819 5.161 1.00 0.00 C ATOM 1639 NH1 ARG A 103 10.071 -6.297 4.133 1.00 0.00 N ATOM 1640 NH2 ARG A 103 8.249 -6.414 5.529 1.00 0.00 N ATOM 0 H ARG A 103 14.768 -1.454 5.227 1.00 0.00 H new ATOM 0 HA ARG A 103 12.081 -1.501 4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.621 -3.298 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.539 -2.485 7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.972 -4.293 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.032 -2.818 7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.770 -3.162 4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.708 -4.638 4.956 1.00 0.00 H new ATOM 0 HE ARG A 103 9.246 -4.424 6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.940 -5.843 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.736 -7.117 3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.715 -6.052 6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.916 -7.234 5.022 1.00 0.00 H new ATOM 1654 N ALA A 104 12.739 0.107 7.655 1.00 0.00 N ATOM 1655 CA ALA A 104 12.169 0.991 8.669 1.00 0.00 C ATOM 1656 C ALA A 104 11.624 2.277 8.047 1.00 0.00 C ATOM 1657 O ALA A 104 10.537 2.740 8.401 1.00 0.00 O ATOM 1658 CB ALA A 104 13.211 1.319 9.733 1.00 0.00 C ATOM 0 H ALA A 104 13.728 -0.101 7.790 1.00 0.00 H new ATOM 0 HA ALA A 104 11.336 0.467 9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.772 1.978 10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.545 0.398 10.212 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.063 1.815 9.268 1.00 0.00 H new ATOM 1664 N GLN A 105 12.379 2.841 7.109 1.00 0.00 N ATOM 1665 CA GLN A 105 12.002 4.102 6.476 1.00 0.00 C ATOM 1666 C GLN A 105 10.830 3.903 5.515 1.00 0.00 C ATOM 1667 O GLN A 105 9.958 4.766 5.399 1.00 0.00 O ATOM 1668 CB GLN A 105 13.198 4.724 5.754 1.00 0.00 C ATOM 1669 CG GLN A 105 14.311 5.159 6.703 1.00 0.00 C ATOM 1670 CD GLN A 105 15.411 5.940 6.011 1.00 0.00 C ATOM 1671 OE1 GLN A 105 15.692 5.726 4.834 1.00 0.00 O ATOM 1672 NE2 GLN A 105 16.045 6.850 6.738 1.00 0.00 N ATOM 0 H GLN A 105 13.256 2.445 6.770 1.00 0.00 H new ATOM 0 HA GLN A 105 11.681 4.790 7.258 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.598 4.004 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.860 5.587 5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 105 13.884 5.771 7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 105 14.742 4.277 7.176 1.00 0.00 H new ATOM 0 HE21 GLN A 105 15.782 6.998 7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 105 16.796 7.402 6.323 1.00 0.00 H new ATOM 1681 N GLN A 106 10.805 2.753 4.848 1.00 0.00 N ATOM 1682 CA GLN A 106 9.712 2.411 3.940 1.00 0.00 C ATOM 1683 C GLN A 106 8.395 2.358 4.705 1.00 0.00 C ATOM 1684 O GLN A 106 7.391 2.948 4.294 1.00 0.00 O ATOM 1685 CB GLN A 106 9.986 1.061 3.261 1.00 0.00 C ATOM 1686 CG GLN A 106 11.212 1.068 2.353 1.00 0.00 C ATOM 1687 CD GLN A 106 11.078 2.048 1.200 1.00 0.00 C ATOM 1688 OE1 GLN A 106 9.979 2.319 0.725 1.00 0.00 O ATOM 1689 NE2 GLN A 106 12.199 2.582 0.737 1.00 0.00 N ATOM 0 H GLN A 106 11.531 2.040 4.919 1.00 0.00 H new ATOM 0 HA GLN A 106 9.642 3.179 3.170 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.118 0.299 4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.113 0.775 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 106 12.094 1.323 2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.372 0.065 1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.094 2.333 1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.167 3.242 -0.040 1.00 0.00 H new ATOM 1698 N LEU A 107 8.414 1.660 5.837 1.00 0.00 N ATOM 1699 CA LEU A 107 7.238 1.553 6.690 1.00 0.00 C ATOM 1700 C LEU A 107 6.964 2.873 7.408 1.00 0.00 C ATOM 1701 O LEU A 107 5.855 3.096 7.895 1.00 0.00 O ATOM 1702 CB LEU A 107 7.394 0.403 7.702 1.00 0.00 C ATOM 1703 CG LEU A 107 7.067 -1.004 7.163 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.615 -1.079 6.699 1.00 0.00 C ATOM 1705 CD2 LEU A 107 8.014 -1.397 6.031 1.00 0.00 C ATOM 0 H LEU A 107 9.233 1.160 6.184 1.00 0.00 H new ATOM 0 HA LEU A 107 6.382 1.329 6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.420 0.403 8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 107 6.749 0.605 8.557 1.00 0.00 H new ATOM 0 HG LEU A 107 7.207 -1.714 7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.405 -2.080 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.953 -0.860 7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.448 -0.350 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.758 -2.394 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.921 -0.682 5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 107 9.040 -1.396 6.398 1.00 0.00 H new ATOM 1717 N GLN A 108 7.967 3.751 7.466 1.00 0.00 N ATOM 1718 CA GLN A 108 7.777 5.067 8.067 1.00 0.00 C ATOM 1719 C GLN A 108 6.752 5.850 7.250 1.00 0.00 C ATOM 1720 O GLN A 108 5.799 6.397 7.800 1.00 0.00 O ATOM 1721 CB GLN A 108 9.107 5.841 8.184 1.00 0.00 C ATOM 1722 CG GLN A 108 8.991 7.133 8.988 1.00 0.00 C ATOM 1723 CD GLN A 108 8.543 6.896 10.422 1.00 0.00 C ATOM 1724 OE1 GLN A 108 8.827 5.850 11.013 1.00 0.00 O ATOM 1725 NE2 GLN A 108 7.845 7.863 10.994 1.00 0.00 N ATOM 0 H GLN A 108 8.906 3.576 7.109 1.00 0.00 H new ATOM 0 HA GLN A 108 7.403 4.936 9.082 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.853 5.198 8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.470 6.076 7.184 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.956 7.641 8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.282 7.799 8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.630 8.713 10.473 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.522 7.758 11.956 1.00 0.00 H new ATOM 1734 N ILE A 109 6.929 5.862 5.929 1.00 0.00 N ATOM 1735 CA ILE A 109 5.966 6.504 5.036 1.00 0.00 C ATOM 1736 C ILE A 109 4.640 5.745 5.053 1.00 0.00 C ATOM 1737 O ILE A 109 3.576 6.341 5.254 1.00 0.00 O ATOM 1738 CB ILE A 109 6.489 6.595 3.570 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.559 7.693 3.427 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.339 6.851 2.595 1.00 0.00 C ATOM 1741 CD1 ILE A 109 8.816 7.444 4.228 1.00 0.00 C ATOM 0 H ILE A 109 7.726 5.437 5.456 1.00 0.00 H new ATOM 0 HA ILE A 109 5.820 7.519 5.404 1.00 0.00 H new ATOM 0 HB ILE A 109 6.947 5.636 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.826 7.789 2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.129 8.646 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.730 6.910 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.619 6.035 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.848 7.790 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.516 8.264 4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.566 7.379 5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.274 6.509 3.905 1.00 0.00 H new ATOM 1753 N PHE A 110 4.719 4.426 4.860 1.00 0.00 N ATOM 1754 CA PHE A 110 3.530 3.574 4.792 1.00 0.00 C ATOM 1755 C PHE A 110 2.607 3.830 5.981 1.00 0.00 C ATOM 1756 O PHE A 110 1.406 4.044 5.810 1.00 0.00 O ATOM 1757 CB PHE A 110 3.931 2.086 4.740 1.00 0.00 C ATOM 1758 CG PHE A 110 2.755 1.137 4.654 1.00 0.00 C ATOM 1759 CD1 PHE A 110 2.141 0.648 5.803 1.00 0.00 C ATOM 1760 CD2 PHE A 110 2.258 0.742 3.421 1.00 0.00 C ATOM 1761 CE1 PHE A 110 1.058 -0.208 5.719 1.00 0.00 C ATOM 1762 CE2 PHE A 110 1.178 -0.117 3.335 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.576 -0.591 4.482 1.00 0.00 C ATOM 0 H PHE A 110 5.599 3.923 4.748 1.00 0.00 H new ATOM 0 HA PHE A 110 2.990 3.823 3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.580 1.924 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.515 1.846 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.515 0.941 6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.720 1.110 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.589 -0.577 6.619 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.805 -0.418 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.270 -1.259 4.413 1.00 0.00 H new ATOM 1773 N ASN A 111 3.181 3.830 7.178 1.00 0.00 N ATOM 1774 CA ASN A 111 2.405 3.982 8.405 1.00 0.00 C ATOM 1775 C ASN A 111 1.831 5.393 8.534 1.00 0.00 C ATOM 1776 O ASN A 111 0.687 5.560 8.952 1.00 0.00 O ATOM 1777 CB ASN A 111 3.263 3.629 9.632 1.00 0.00 C ATOM 1778 CG ASN A 111 3.501 2.130 9.761 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.626 1.319 9.451 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.689 1.746 10.207 1.00 0.00 N ATOM 0 H ASN A 111 4.185 3.726 7.326 1.00 0.00 H new ATOM 0 HA ASN A 111 1.565 3.289 8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.222 4.142 9.561 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.772 3.995 10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.901 0.753 10.302 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.391 2.444 10.455 1.00 0.00 H new ATOM 1787 N LEU A 112 2.615 6.403 8.154 1.00 0.00 N ATOM 1788 CA LEU A 112 2.164 7.796 8.242 1.00 0.00 C ATOM 1789 C LEU A 112 0.931 8.033 7.365 1.00 0.00 C ATOM 1790 O LEU A 112 -0.072 8.582 7.823 1.00 0.00 O ATOM 1791 CB LEU A 112 3.289 8.769 7.852 1.00 0.00 C ATOM 1792 CG LEU A 112 4.458 8.859 8.849 1.00 0.00 C ATOM 1793 CD1 LEU A 112 5.541 9.802 8.332 1.00 0.00 C ATOM 1794 CD2 LEU A 112 3.966 9.307 10.226 1.00 0.00 C ATOM 0 H LEU A 112 3.559 6.286 7.785 1.00 0.00 H new ATOM 0 HA LEU A 112 1.890 7.986 9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.684 8.471 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.860 9.764 7.730 1.00 0.00 H new ATOM 0 HG LEU A 112 4.892 7.864 8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.357 9.850 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.920 9.433 7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.120 10.798 8.194 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.810 9.363 10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.499 10.288 10.144 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.238 8.589 10.603 1.00 0.00 H new ATOM 1806 N MET A 113 1.002 7.598 6.109 1.00 0.00 N ATOM 1807 CA MET A 113 -0.100 7.797 5.168 1.00 0.00 C ATOM 1808 C MET A 113 -1.210 6.768 5.396 1.00 0.00 C ATOM 1809 O MET A 113 -2.295 6.869 4.818 1.00 0.00 O ATOM 1810 CB MET A 113 0.409 7.741 3.715 1.00 0.00 C ATOM 1811 CG MET A 113 1.056 6.421 3.313 1.00 0.00 C ATOM 1812 SD MET A 113 1.639 6.433 1.603 1.00 0.00 S ATOM 1813 CE MET A 113 2.404 4.818 1.476 1.00 0.00 C ATOM 0 H MET A 113 1.807 7.107 5.720 1.00 0.00 H new ATOM 0 HA MET A 113 -0.520 8.787 5.345 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.427 7.938 3.044 1.00 0.00 H new ATOM 0 HB3 MET A 113 1.132 8.543 3.567 1.00 0.00 H new ATOM 0 HG2 MET A 113 1.894 6.213 3.978 1.00 0.00 H new ATOM 0 HG3 MET A 113 0.337 5.612 3.443 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.916 4.732 0.518 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.124 4.692 2.285 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.638 4.046 1.549 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.939 5.794 6.260 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.903 4.745 6.583 1.00 0.00 C ATOM 1825 C LYS A 114 -3.090 5.311 7.368 1.00 0.00 C ATOM 1826 O LYS A 114 -4.246 5.060 7.028 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.217 3.633 7.391 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.124 2.460 7.755 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.361 1.392 8.536 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.243 0.202 8.894 1.00 0.00 C ATOM 1831 NZ LYS A 114 -3.349 0.576 9.818 1.00 0.00 N ATOM 0 H LYS A 114 -0.051 5.709 6.754 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.282 4.329 5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.370 3.256 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.816 4.063 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.964 2.818 8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.539 2.023 6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.512 1.048 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.957 1.830 9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.662 -0.224 7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.633 -0.574 9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.838 -0.284 10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.959 1.081 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.023 1.192 9.321 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.801 6.099 8.403 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.844 6.593 9.306 1.00 0.00 C ATOM 1847 C PHE A 115 -4.342 7.985 8.908 1.00 0.00 C ATOM 1848 O PHE A 115 -5.071 8.630 9.668 1.00 0.00 O ATOM 1849 CB PHE A 115 -3.344 6.601 10.765 1.00 0.00 C ATOM 1850 CG PHE A 115 -2.116 7.450 11.014 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -2.215 8.830 11.146 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -0.863 6.864 11.129 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -1.094 9.603 11.385 1.00 0.00 C ATOM 1854 CE2 PHE A 115 0.260 7.633 11.367 1.00 0.00 C ATOM 1855 CZ PHE A 115 0.145 9.004 11.495 1.00 0.00 C ATOM 0 H PHE A 115 -1.858 6.409 8.638 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.688 5.908 9.223 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.150 6.956 11.408 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -3.126 5.576 11.064 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.181 9.305 11.061 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.765 5.793 11.031 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.187 10.674 11.486 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.228 7.162 11.453 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.022 9.606 11.681 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.982 8.444 7.712 1.00 0.00 N ATOM 1866 CA ASP A 116 -4.390 9.778 7.267 1.00 0.00 C ATOM 1867 C ASP A 116 -4.771 9.762 5.795 1.00 0.00 C ATOM 1868 O ASP A 116 -5.951 9.800 5.463 1.00 0.00 O ATOM 1869 CB ASP A 116 -3.292 10.823 7.522 1.00 0.00 C ATOM 1870 CG ASP A 116 -3.817 12.247 7.371 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -4.446 12.753 8.329 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -3.627 12.861 6.298 1.00 0.00 O ATOM 0 H ASP A 116 -3.417 7.923 7.041 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.264 10.062 7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.889 10.689 8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.470 10.663 6.825 1.00 0.00 H new ATOM 1877 N SER A 117 -3.771 9.683 4.920 1.00 0.00 N ATOM 1878 CA SER A 117 -3.999 9.677 3.476 1.00 0.00 C ATOM 1879 C SER A 117 -5.036 8.615 3.103 1.00 0.00 C ATOM 1880 O SER A 117 -6.008 8.894 2.399 1.00 0.00 O ATOM 1881 CB SER A 117 -2.675 9.417 2.754 1.00 0.00 C ATOM 1882 OG SER A 117 -1.624 10.136 3.374 1.00 0.00 O ATOM 0 H SER A 117 -2.789 9.622 5.188 1.00 0.00 H new ATOM 0 HA SER A 117 -4.387 10.648 3.168 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.451 8.350 2.766 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.759 9.713 1.708 1.00 0.00 H new ATOM 0 HG SER A 117 -1.567 11.033 2.984 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.827 7.406 3.606 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.773 6.307 3.418 1.00 0.00 C ATOM 1890 C TYR A 118 -7.107 6.615 4.101 1.00 0.00 C ATOM 1891 O TYR A 118 -8.174 6.496 3.491 1.00 0.00 O ATOM 1892 CB TYR A 118 -5.171 5.012 3.980 1.00 0.00 C ATOM 1893 CG TYR A 118 -6.153 3.859 4.122 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.676 3.214 3.004 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.550 3.409 5.381 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.560 2.160 3.137 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.430 2.356 5.518 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.932 1.735 4.395 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.801 0.679 4.532 1.00 0.00 O ATOM 0 H TYR A 118 -4.003 7.157 4.153 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.963 6.183 2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.354 4.697 3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.738 5.224 4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.386 3.543 2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.161 3.894 6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.958 1.671 2.260 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.724 2.020 6.501 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.804 0.149 3.708 1.00 0.00 H new ATOM 1909 N ALA A 119 -7.031 7.032 5.363 1.00 0.00 N ATOM 1910 CA ALA A 119 -8.221 7.256 6.182 1.00 0.00 C ATOM 1911 C ALA A 119 -9.132 8.336 5.591 1.00 0.00 C ATOM 1912 O ALA A 119 -10.351 8.289 5.757 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.817 7.625 7.606 1.00 0.00 C ATOM 0 H ALA A 119 -6.152 7.223 5.844 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.788 6.325 6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.711 7.790 8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.232 6.814 8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.218 8.536 7.590 1.00 0.00 H new ATOM 1919 N ARG A 120 -8.537 9.303 4.902 1.00 0.00 N ATOM 1920 CA ARG A 120 -9.286 10.425 4.338 1.00 0.00 C ATOM 1921 C ARG A 120 -9.764 10.100 2.922 1.00 0.00 C ATOM 1922 O ARG A 120 -10.781 10.631 2.463 1.00 0.00 O ATOM 1923 CB ARG A 120 -8.419 11.694 4.343 1.00 0.00 C ATOM 1924 CG ARG A 120 -7.207 11.624 3.419 1.00 0.00 C ATOM 1925 CD ARG A 120 -6.163 12.679 3.764 1.00 0.00 C ATOM 1926 NE ARG A 120 -6.711 14.035 3.746 1.00 0.00 N ATOM 1927 CZ ARG A 120 -6.123 15.084 4.320 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -4.984 14.931 4.992 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -6.691 16.278 4.239 1.00 0.00 N ATOM 0 H ARG A 120 -7.534 9.334 4.719 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.166 10.603 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.036 12.544 4.051 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.076 11.883 5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.757 10.633 3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.530 11.758 2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -5.752 12.470 4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -5.338 12.615 3.055 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.597 14.187 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -4.558 14.008 5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.538 15.737 5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.573 16.390 3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.246 17.085 4.676 1.00 0.00 H new ATOM 1943 N PHE A 121 -9.033 9.216 2.241 1.00 0.00 N ATOM 1944 CA PHE A 121 -9.389 8.788 0.890 1.00 0.00 C ATOM 1945 C PHE A 121 -10.709 8.017 0.902 1.00 0.00 C ATOM 1946 O PHE A 121 -11.670 8.397 0.230 1.00 0.00 O ATOM 1947 CB PHE A 121 -8.270 7.920 0.292 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.608 7.332 -1.058 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.647 8.135 -2.188 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.895 5.979 -1.193 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.965 7.602 -3.423 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -9.215 5.443 -2.427 1.00 0.00 C ATOM 1953 CZ PHE A 121 -9.249 6.254 -3.542 1.00 0.00 C ATOM 0 H PHE A 121 -8.186 8.781 2.607 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.513 9.675 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.366 8.522 0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.043 7.109 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.426 9.189 -2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.868 5.338 -0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.992 8.238 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.438 4.390 -2.517 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.497 5.837 -4.507 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.754 6.944 1.687 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.953 6.110 1.788 1.00 0.00 C ATOM 1965 C VAL A 122 -13.113 6.902 2.402 1.00 0.00 C ATOM 1966 O VAL A 122 -14.285 6.574 2.201 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.686 4.838 2.634 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.571 4.000 2.010 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.347 5.200 4.081 1.00 0.00 C ATOM 0 H VAL A 122 -9.974 6.629 2.264 1.00 0.00 H new ATOM 0 HA VAL A 122 -12.223 5.803 0.777 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.599 4.242 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.399 3.112 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.862 3.699 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.656 4.590 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -11.165 4.289 4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.454 5.825 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -12.180 5.745 4.525 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.760 7.952 3.143 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.733 8.800 3.830 1.00 0.00 C ATOM 1981 C LYS A 123 -14.537 9.636 2.834 1.00 0.00 C ATOM 1982 O LYS A 123 -15.746 9.822 2.997 1.00 0.00 O ATOM 1983 CB LYS A 123 -13.007 9.730 4.811 1.00 0.00 C ATOM 1984 CG LYS A 123 -13.930 10.633 5.627 1.00 0.00 C ATOM 1985 CD LYS A 123 -13.148 11.702 6.389 1.00 0.00 C ATOM 1986 CE LYS A 123 -12.092 11.099 7.311 1.00 0.00 C ATOM 1987 NZ LYS A 123 -11.303 12.145 8.015 1.00 0.00 N ATOM 0 H LYS A 123 -11.791 8.238 3.284 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.423 8.154 4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.414 9.124 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -12.310 10.354 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.649 11.113 4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -14.501 10.028 6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -12.666 12.373 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -13.840 12.305 6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -12.577 10.455 8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.420 10.469 6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -10.597 11.692 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -10.819 12.744 7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -11.940 12.731 8.591 1.00 0.00 H new ATOM 2001 N SER A 124 -13.852 10.154 1.817 1.00 0.00 N ATOM 2002 CA SER A 124 -14.487 11.011 0.819 1.00 0.00 C ATOM 2003 C SER A 124 -15.406 10.197 -0.103 1.00 0.00 C ATOM 2004 O SER A 124 -15.155 9.012 -0.346 1.00 0.00 O ATOM 2005 CB SER A 124 -13.413 11.740 -0.001 1.00 0.00 C ATOM 2006 OG SER A 124 -12.541 10.826 -0.645 1.00 0.00 O ATOM 0 H SER A 124 -12.856 9.995 1.662 1.00 0.00 H new ATOM 0 HA SER A 124 -15.101 11.748 1.337 1.00 0.00 H new ATOM 0 HB2 SER A 124 -13.892 12.375 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 124 -12.837 12.395 0.653 1.00 0.00 H new ATOM 0 HG SER A 124 -12.478 10.004 -0.114 1.00 0.00 H new ATOM 2012 N PRO A 125 -16.478 10.823 -0.641 1.00 0.00 N ATOM 2013 CA PRO A 125 -17.436 10.143 -1.534 1.00 0.00 C ATOM 2014 C PRO A 125 -16.776 9.637 -2.819 1.00 0.00 C ATOM 2015 O PRO A 125 -17.359 8.837 -3.554 1.00 0.00 O ATOM 2016 CB PRO A 125 -18.479 11.230 -1.847 1.00 0.00 C ATOM 2017 CG PRO A 125 -17.783 12.521 -1.568 1.00 0.00 C ATOM 2018 CD PRO A 125 -16.845 12.238 -0.426 1.00 0.00 C ATOM 0 HA PRO A 125 -17.863 9.255 -1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -18.808 11.175 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.367 11.117 -1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -17.238 12.870 -2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -18.497 13.302 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -15.972 12.890 -0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.328 12.388 0.540 1.00 0.00 H new ATOM 2026 N LEU A 126 -15.554 10.111 -3.072 1.00 0.00 N ATOM 2027 CA LEU A 126 -14.763 9.680 -4.226 1.00 0.00 C ATOM 2028 C LEU A 126 -14.694 8.153 -4.267 1.00 0.00 C ATOM 2029 O LEU A 126 -14.762 7.544 -5.336 1.00 0.00 O ATOM 2030 CB LEU A 126 -13.351 10.306 -4.146 1.00 0.00 C ATOM 2031 CG LEU A 126 -12.447 10.154 -5.395 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -11.321 11.189 -5.367 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -11.852 8.748 -5.495 1.00 0.00 C ATOM 0 H LEU A 126 -15.087 10.802 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 126 -15.236 10.019 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.463 11.370 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.832 9.865 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.073 10.321 -6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.695 11.069 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.749 12.192 -5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.716 11.045 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.224 8.681 -6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.250 8.544 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.657 8.016 -5.563 1.00 0.00 H new ATOM 2045 N TYR A 127 -14.590 7.544 -3.087 1.00 0.00 N ATOM 2046 CA TYR A 127 -14.540 6.090 -2.967 1.00 0.00 C ATOM 2047 C TYR A 127 -15.803 5.475 -3.579 1.00 0.00 C ATOM 2048 O TYR A 127 -15.730 4.641 -4.483 1.00 0.00 O ATOM 2049 CB TYR A 127 -14.407 5.691 -1.487 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.975 4.252 -1.273 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -14.899 3.213 -1.261 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -12.634 3.936 -1.090 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -14.497 1.902 -1.075 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -12.227 2.632 -0.902 1.00 0.00 C ATOM 2055 CZ TYR A 127 -13.159 1.618 -0.898 1.00 0.00 C ATOM 2056 OH TYR A 127 -12.749 0.317 -0.718 1.00 0.00 O ATOM 0 H TYR A 127 -14.539 8.039 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 127 -13.672 5.713 -3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -13.685 6.352 -1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -15.364 5.850 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -15.947 3.433 -1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -11.898 4.726 -1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -15.227 1.106 -1.068 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -11.181 2.407 -0.758 1.00 0.00 H new ATOM 0 HH TYR A 127 -12.721 -0.140 -1.584 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.960 5.923 -3.097 1.00 0.00 N ATOM 2067 CA ARG A 128 -18.251 5.452 -3.602 1.00 0.00 C ATOM 2068 C ARG A 128 -18.379 5.732 -5.100 1.00 0.00 C ATOM 2069 O ARG A 128 -18.976 4.951 -5.846 1.00 0.00 O ATOM 2070 CB ARG A 128 -19.395 6.130 -2.833 1.00 0.00 C ATOM 2071 CG ARG A 128 -20.788 5.745 -3.325 1.00 0.00 C ATOM 2072 CD ARG A 128 -21.884 6.392 -2.485 1.00 0.00 C ATOM 2073 NE ARG A 128 -23.222 6.038 -2.968 1.00 0.00 N ATOM 2074 CZ ARG A 128 -24.146 5.411 -2.236 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -23.895 5.075 -0.978 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -25.328 5.128 -2.764 1.00 0.00 N ATOM 0 H ARG A 128 -17.031 6.616 -2.352 1.00 0.00 H new ATOM 0 HA ARG A 128 -18.312 4.374 -3.449 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -19.311 5.874 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -19.280 7.211 -2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.902 6.047 -4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -20.898 4.661 -3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -21.778 6.079 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.765 7.475 -2.505 1.00 0.00 H new ATOM 0 HE ARG A 128 -23.463 6.287 -3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -22.990 5.295 -0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -24.607 4.596 -0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -25.531 5.389 -3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -26.035 4.649 -2.206 1.00 0.00 H new ATOM 2090 N GLU A 129 -17.795 6.844 -5.530 1.00 0.00 N ATOM 2091 CA GLU A 129 -17.809 7.237 -6.935 1.00 0.00 C ATOM 2092 C GLU A 129 -17.048 6.209 -7.781 1.00 0.00 C ATOM 2093 O GLU A 129 -17.318 6.046 -8.972 1.00 0.00 O ATOM 2094 CB GLU A 129 -17.199 8.642 -7.086 1.00 0.00 C ATOM 2095 CG GLU A 129 -17.300 9.233 -8.490 1.00 0.00 C ATOM 2096 CD GLU A 129 -18.729 9.282 -9.016 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -19.591 9.920 -8.369 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -19.000 8.677 -10.074 1.00 0.00 O ATOM 0 H GLU A 129 -17.301 7.495 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.838 7.268 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -17.694 9.315 -6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.148 8.600 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -16.887 10.242 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -16.688 8.642 -9.172 1.00 0.00 H new ATOM 2105 N CYS A 130 -16.106 5.509 -7.147 1.00 0.00 N ATOM 2106 CA CYS A 130 -15.365 4.433 -7.806 1.00 0.00 C ATOM 2107 C CYS A 130 -16.191 3.143 -7.819 1.00 0.00 C ATOM 2108 O CYS A 130 -16.020 2.295 -8.693 1.00 0.00 O ATOM 2109 CB CYS A 130 -14.023 4.198 -7.100 1.00 0.00 C ATOM 2110 SG CYS A 130 -12.963 5.662 -7.032 1.00 0.00 S ATOM 0 H CYS A 130 -15.838 5.669 -6.176 1.00 0.00 H new ATOM 0 HA CYS A 130 -15.170 4.730 -8.836 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -14.214 3.853 -6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -13.489 3.399 -7.613 1.00 0.00 H new ATOM 0 HG CYS A 130 -13.625 6.654 -6.515 1.00 0.00 H new ATOM 2116 N LEU A 131 -17.085 3.001 -6.837 1.00 0.00 N ATOM 2117 CA LEU A 131 -18.003 1.857 -6.787 1.00 0.00 C ATOM 2118 C LEU A 131 -19.011 1.925 -7.933 1.00 0.00 C ATOM 2119 O LEU A 131 -19.505 0.892 -8.396 1.00 0.00 O ATOM 2120 CB LEU A 131 -18.743 1.791 -5.435 1.00 0.00 C ATOM 2121 CG LEU A 131 -17.982 1.105 -4.285 1.00 0.00 C ATOM 2122 CD1 LEU A 131 -16.684 1.837 -3.964 1.00 0.00 C ATOM 2123 CD2 LEU A 131 -18.865 1.003 -3.042 1.00 0.00 C ATOM 0 H LEU A 131 -17.194 3.661 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 131 -17.407 0.951 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -18.989 2.807 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -19.687 1.266 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 131 -17.723 0.097 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -16.171 1.328 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -16.044 1.846 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -16.908 2.862 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -18.310 0.516 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -19.161 2.002 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -19.755 0.418 -3.275 1.00 0.00 H new ATOM 2135 N LEU A 132 -19.314 3.149 -8.375 1.00 0.00 N ATOM 2136 CA LEU A 132 -20.238 3.387 -9.489 1.00 0.00 C ATOM 2137 C LEU A 132 -21.630 2.820 -9.189 1.00 0.00 C ATOM 2138 O LEU A 132 -22.511 3.529 -8.692 1.00 0.00 O ATOM 2139 CB LEU A 132 -19.690 2.781 -10.796 1.00 0.00 C ATOM 2140 CG LEU A 132 -18.380 3.393 -11.319 1.00 0.00 C ATOM 2141 CD1 LEU A 132 -17.841 2.588 -12.498 1.00 0.00 C ATOM 2142 CD2 LEU A 132 -18.593 4.851 -11.720 1.00 0.00 C ATOM 0 H LEU A 132 -18.927 4.002 -7.972 1.00 0.00 H new ATOM 0 HA LEU A 132 -20.328 4.466 -9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -19.534 1.713 -10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -20.451 2.884 -11.569 1.00 0.00 H new ATOM 0 HG LEU A 132 -17.643 3.359 -10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -16.914 3.038 -12.853 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -17.649 1.563 -12.181 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -18.575 2.587 -13.304 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -17.655 5.268 -12.088 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -19.347 4.906 -12.505 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -18.929 5.421 -10.854 1.00 0.00 H new ATOM 2154 N ALA A 133 -21.806 1.536 -9.484 1.00 0.00 N ATOM 2155 CA ALA A 133 -23.072 0.842 -9.288 1.00 0.00 C ATOM 2156 C ALA A 133 -22.849 -0.659 -9.439 1.00 0.00 C ATOM 2157 O ALA A 133 -22.740 -1.166 -10.557 1.00 0.00 O ATOM 2158 CB ALA A 133 -24.122 1.338 -10.282 1.00 0.00 C ATOM 0 H ALA A 133 -21.069 0.945 -9.868 1.00 0.00 H new ATOM 0 HA ALA A 133 -23.444 1.050 -8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -25.059 0.806 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -24.282 2.407 -10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -23.775 1.155 -11.299 1.00 0.00 H new ATOM 2164 N GLU A 134 -22.747 -1.353 -8.304 1.00 0.00 N ATOM 2165 CA GLU A 134 -22.453 -2.790 -8.273 1.00 0.00 C ATOM 2166 C GLU A 134 -21.029 -3.073 -8.769 1.00 0.00 C ATOM 2167 O GLU A 134 -20.688 -4.220 -9.069 1.00 0.00 O ATOM 2168 CB GLU A 134 -23.484 -3.588 -9.098 1.00 0.00 C ATOM 2169 CG GLU A 134 -24.922 -3.447 -8.600 1.00 0.00 C ATOM 2170 CD GLU A 134 -25.085 -3.857 -7.144 1.00 0.00 C ATOM 2171 OE1 GLU A 134 -24.975 -5.068 -6.842 1.00 0.00 O ATOM 2172 OE2 GLU A 134 -25.316 -2.972 -6.292 1.00 0.00 O ATOM 0 H GLU A 134 -22.865 -0.937 -7.380 1.00 0.00 H new ATOM 0 HA GLU A 134 -22.523 -3.118 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -23.436 -3.259 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -23.207 -4.642 -9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -25.243 -2.412 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -25.578 -4.058 -9.220 1.00 0.00 H new ATOM 2179 N ALA A 135 -20.207 -2.016 -8.835 1.00 0.00 N ATOM 2180 CA ALA A 135 -18.795 -2.104 -9.239 1.00 0.00 C ATOM 2181 C ALA A 135 -18.633 -2.317 -10.748 1.00 0.00 C ATOM 2182 O ALA A 135 -17.845 -1.619 -11.388 1.00 0.00 O ATOM 2183 CB ALA A 135 -18.063 -3.192 -8.455 1.00 0.00 C ATOM 0 H ALA A 135 -20.505 -1.067 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 135 -18.340 -1.143 -9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -17.022 -3.233 -8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -18.106 -2.964 -7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -18.538 -4.156 -8.640 1.00 0.00 H new ATOM 2189 N GLU A 136 -19.373 -3.281 -11.303 1.00 0.00 N ATOM 2190 CA GLU A 136 -19.309 -3.606 -12.731 1.00 0.00 C ATOM 2191 C GLU A 136 -17.936 -4.167 -13.118 1.00 0.00 C ATOM 2192 O GLU A 136 -17.147 -4.576 -12.259 1.00 0.00 O ATOM 2193 CB GLU A 136 -19.642 -2.373 -13.594 1.00 0.00 C ATOM 2194 CG GLU A 136 -21.109 -1.964 -13.559 1.00 0.00 C ATOM 2195 CD GLU A 136 -21.415 -0.801 -14.490 1.00 0.00 C ATOM 2196 OE1 GLU A 136 -20.985 -0.841 -15.664 1.00 0.00 O ATOM 2197 OE2 GLU A 136 -22.105 0.148 -14.059 1.00 0.00 O ATOM 0 H GLU A 136 -20.031 -3.856 -10.777 1.00 0.00 H new ATOM 0 HA GLU A 136 -20.056 -4.376 -12.921 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -19.034 -1.533 -13.258 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -19.358 -2.579 -14.626 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -21.727 -2.818 -13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -21.382 -1.690 -12.540 1.00 0.00 H new TER 2204 GLU A 136