USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot -160:sc= -0.823 USER MOD Set 1.2: A 109 MET CE :methyl -123:sc= -1.5 (180deg=-3.82!) USER MOD Set 2.1: A 100 MET CE :methyl 148:sc= -7.43! (180deg=-6.31!) USER MOD Set 2.2: A 105 ASN : amide:sc= -3.58 K(o=-11,f=-14!) USER MOD Set 3.1: A 54 HIS : no HD1:sc= -3.75 K(o=-4.8,f=-5.5!) USER MOD Set 3.2: A 58 SER OG : rot 140:sc=-0.00164 USER MOD Set 3.3: A 69 TYR OH : rot 30:sc= -1.06 USER MOD Set 4.1: A 33 SER OG : rot -149:sc= -0.0257 USER MOD Set 4.2: A 87 HIS : no HD1:sc= -2.55 K(o=-3.9,f=-7.9!) USER MOD Set 4.3: A 90 MET CE :methyl -119:sc= -1.36 (180deg=-2.56) USER MOD Single : A 30 ASN :FLIP amide:sc= -2.4 F(o=-3.2,f=-2.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.5 K(o=-3.5,f=-6.3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.0189 F(o=-2!,f=-0.019) USER MOD Single : A 42 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.69) USER MOD Single : A 46 SER OG : rot 180:sc= -0.228 USER MOD Single : A 53 GLN : amide:sc= -3.64 K(o=-3.6,f=-5) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.3!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -5.92 K(o=-5.9,f=-20!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.4!) USER MOD Single : A 73 TYR OH : rot 35:sc= 0.0142 USER MOD Single : A 74 SER OG : rot 71:sc= 1.24 USER MOD Single : A 75 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.19) USER MOD Single : A 76 THR OG1 : rot 69:sc= -2.46! USER MOD Single : A 77 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.41) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -130:sc= -1.39 (180deg=-5.05!) USER MOD Single : A 86 GLN : amide:sc= -2.12 X(o=-2.1,f=-1.7) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -172:sc= 0.472 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -2.08 F(o=-4.1!,f=-2.1) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -3.78! C(o=-7.1!,f=-3.8!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot -95:sc= 0.595 USER MOD Single : A 117 SER OG : rot -82:sc= 1.03 USER MOD Single : A 119 MET CE :methyl -147:sc= -0.688 (180deg=-1.37) USER MOD Single : A 124 GLN : amide:sc= -0.769 K(o=-0.77,f=-6!) USER MOD Single : A 125 HIS : no HE2:sc= -0.195 K(o=-0.2,f=-2) USER MOD Single : A 127 MET CE :methyl -163:sc= -0.403 (180deg=-1.19) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 29 -11.393 20.452 -8.530 1.00 0.00 N ATOM 2 CA ASP A 29 -12.174 19.196 -8.677 1.00 0.00 C ATOM 3 C ASP A 29 -11.361 17.987 -8.226 1.00 0.00 C ATOM 4 O ASP A 29 -10.131 18.002 -8.269 1.00 0.00 O ATOM 5 CB ASP A 29 -12.579 19.042 -10.144 1.00 0.00 C ATOM 6 CG ASP A 29 -13.606 20.072 -10.571 1.00 0.00 C ATOM 7 OD1 ASP A 29 -13.201 21.183 -10.972 1.00 0.00 O ATOM 8 OD2 ASP A 29 -14.816 19.768 -10.503 1.00 0.00 O ATOM 0 HA ASP A 29 -13.061 19.250 -8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.694 19.133 -10.774 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.983 18.042 -10.304 1.00 0.00 H new ATOM 13 N ASN A 30 -12.057 16.940 -7.793 1.00 0.00 N ATOM 14 CA ASN A 30 -11.397 15.723 -7.334 1.00 0.00 C ATOM 15 C ASN A 30 -12.281 14.502 -7.565 1.00 0.00 C ATOM 16 O ASN A 30 -13.442 14.627 -7.957 1.00 0.00 O ATOM 17 CB ASN A 30 -11.047 15.836 -5.849 1.00 0.00 C ATOM 18 CG ASN A 30 -9.732 16.554 -5.618 1.00 0.00 C ATOM 19 OD1 ASN A 30 -8.669 15.788 -5.402 1.00 0.00 O flip ATOM 20 ND2 ASN A 30 -9.672 17.784 -5.634 1.00 0.00 N flip ATOM 0 H ASN A 30 -13.076 16.910 -7.750 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.480 15.600 -7.910 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.844 16.368 -5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.994 14.838 -5.414 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.514 18.334 -5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.780 18.253 -5.477 1.00 0.00 H new ATOM 27 N VAL A 31 -11.723 13.322 -7.319 1.00 0.00 N ATOM 28 CA VAL A 31 -12.458 12.075 -7.499 1.00 0.00 C ATOM 29 C VAL A 31 -13.595 11.956 -6.488 1.00 0.00 C ATOM 30 O VAL A 31 -13.446 12.325 -5.323 1.00 0.00 O ATOM 31 CB VAL A 31 -11.535 10.847 -7.366 1.00 0.00 C ATOM 32 CG1 VAL A 31 -10.754 10.624 -8.652 1.00 0.00 C ATOM 33 CG2 VAL A 31 -10.591 11.005 -6.182 1.00 0.00 C ATOM 0 H VAL A 31 -10.764 13.202 -6.994 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.871 12.098 -8.507 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.157 9.970 -7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.108 9.753 -8.539 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.449 10.456 -9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.145 11.502 -8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.950 10.127 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.975 11.893 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.171 11.109 -5.265 1.00 0.00 H new ATOM 43 N THR A 32 -14.733 11.442 -6.947 1.00 0.00 N ATOM 44 CA THR A 32 -15.905 11.273 -6.090 1.00 0.00 C ATOM 45 C THR A 32 -15.547 10.564 -4.788 1.00 0.00 C ATOM 46 O THR A 32 -14.506 9.915 -4.688 1.00 0.00 O ATOM 47 CB THR A 32 -16.992 10.483 -6.821 1.00 0.00 C ATOM 48 OG1 THR A 32 -18.012 10.083 -5.924 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.474 9.238 -7.508 1.00 0.00 C ATOM 0 H THR A 32 -14.869 11.134 -7.910 1.00 0.00 H new ATOM 0 HA THR A 32 -16.280 12.268 -5.848 1.00 0.00 H new ATOM 0 HB THR A 32 -17.376 11.163 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.698 9.581 -6.412 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.298 8.727 -8.006 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.721 9.516 -8.245 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.029 8.573 -6.768 1.00 0.00 H new ATOM 57 N SER A 33 -16.423 10.689 -3.795 1.00 0.00 N ATOM 58 CA SER A 33 -16.206 10.059 -2.500 1.00 0.00 C ATOM 59 C SER A 33 -16.230 8.540 -2.630 1.00 0.00 C ATOM 60 O SER A 33 -15.531 7.833 -1.904 1.00 0.00 O ATOM 61 CB SER A 33 -17.272 10.516 -1.502 1.00 0.00 C ATOM 62 OG SER A 33 -18.553 10.032 -1.866 1.00 0.00 O ATOM 0 H SER A 33 -17.290 11.222 -3.864 1.00 0.00 H new ATOM 0 HA SER A 33 -15.225 10.361 -2.133 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.016 10.161 -0.504 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.290 11.605 -1.458 1.00 0.00 H new ATOM 0 HG SER A 33 -19.238 10.669 -1.575 1.00 0.00 H new ATOM 68 N SER A 34 -17.033 8.044 -3.567 1.00 0.00 N ATOM 69 CA SER A 34 -17.139 6.610 -3.797 1.00 0.00 C ATOM 70 C SER A 34 -15.839 6.069 -4.384 1.00 0.00 C ATOM 71 O SER A 34 -15.468 4.920 -4.146 1.00 0.00 O ATOM 72 CB SER A 34 -18.318 6.303 -4.729 1.00 0.00 C ATOM 73 OG SER A 34 -17.877 5.948 -6.029 1.00 0.00 O ATOM 0 H SER A 34 -17.618 8.614 -4.177 1.00 0.00 H new ATOM 0 HA SER A 34 -17.318 6.117 -2.841 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.911 5.490 -4.311 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.970 7.174 -4.791 1.00 0.00 H new ATOM 0 HG SER A 34 -18.653 5.757 -6.597 1.00 0.00 H new ATOM 79 N GLN A 35 -15.150 6.910 -5.149 1.00 0.00 N ATOM 80 CA GLN A 35 -13.887 6.519 -5.764 1.00 0.00 C ATOM 81 C GLN A 35 -12.743 6.656 -4.769 1.00 0.00 C ATOM 82 O GLN A 35 -11.780 5.890 -4.807 1.00 0.00 O ATOM 83 CB GLN A 35 -13.616 7.373 -6.998 1.00 0.00 C ATOM 84 CG GLN A 35 -12.840 6.651 -8.086 1.00 0.00 C ATOM 85 CD GLN A 35 -11.430 6.292 -7.662 1.00 0.00 C ATOM 86 OE1 GLN A 35 -11.106 5.120 -7.473 1.00 0.00 O ATOM 87 NE2 GLN A 35 -10.583 7.304 -7.512 1.00 0.00 N ATOM 0 H GLN A 35 -15.444 7.864 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.959 5.474 -6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.567 7.714 -7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.061 8.262 -6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.373 5.742 -8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.798 7.281 -8.975 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.896 8.260 -7.680 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.620 7.125 -7.229 1.00 0.00 H new ATOM 96 N LEU A 36 -12.859 7.629 -3.867 1.00 0.00 N ATOM 97 CA LEU A 36 -11.835 7.850 -2.851 1.00 0.00 C ATOM 98 C LEU A 36 -11.558 6.549 -2.109 1.00 0.00 C ATOM 99 O LEU A 36 -10.408 6.138 -1.948 1.00 0.00 O ATOM 100 CB LEU A 36 -12.283 8.934 -1.866 1.00 0.00 C ATOM 101 CG LEU A 36 -11.654 10.311 -2.084 1.00 0.00 C ATOM 102 CD1 LEU A 36 -10.137 10.228 -1.996 1.00 0.00 C ATOM 103 CD2 LEU A 36 -12.084 10.886 -3.426 1.00 0.00 C ATOM 0 H LEU A 36 -13.648 8.273 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.920 8.185 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.367 9.033 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.050 8.602 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.004 10.978 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.709 11.218 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.849 9.861 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.765 9.546 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.627 11.866 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.764 10.220 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.169 10.985 -3.449 1.00 0.00 H new ATOM 115 N LEU A 37 -12.631 5.893 -1.681 1.00 0.00 N ATOM 116 CA LEU A 37 -12.519 4.626 -0.979 1.00 0.00 C ATOM 117 C LEU A 37 -12.204 3.508 -1.967 1.00 0.00 C ATOM 118 O LEU A 37 -11.594 2.502 -1.605 1.00 0.00 O ATOM 119 CB LEU A 37 -13.813 4.313 -0.224 1.00 0.00 C ATOM 120 CG LEU A 37 -15.055 4.159 -1.103 1.00 0.00 C ATOM 121 CD1 LEU A 37 -15.261 2.702 -1.486 1.00 0.00 C ATOM 122 CD2 LEU A 37 -16.284 4.704 -0.391 1.00 0.00 C ATOM 0 H LEU A 37 -13.588 6.221 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.707 4.700 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.671 3.393 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.995 5.108 0.499 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.904 4.735 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -16.149 2.612 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.391 2.344 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.390 2.103 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.158 4.586 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.439 4.156 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.137 5.761 -0.169 1.00 0.00 H new ATOM 134 N SER A 38 -12.614 3.696 -3.223 1.00 0.00 N ATOM 135 CA SER A 38 -12.361 2.703 -4.259 1.00 0.00 C ATOM 136 C SER A 38 -10.862 2.492 -4.435 1.00 0.00 C ATOM 137 O SER A 38 -10.408 1.385 -4.727 1.00 0.00 O ATOM 138 CB SER A 38 -12.987 3.142 -5.584 1.00 0.00 C ATOM 139 OG SER A 38 -13.185 2.035 -6.446 1.00 0.00 O ATOM 0 H SER A 38 -13.119 4.523 -3.542 1.00 0.00 H new ATOM 0 HA SER A 38 -12.816 1.761 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.941 3.634 -5.394 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.342 3.874 -6.070 1.00 0.00 H new ATOM 0 HG SER A 38 -13.588 2.342 -7.285 1.00 0.00 H new ATOM 145 N VAL A 39 -10.098 3.563 -4.244 1.00 0.00 N ATOM 146 CA VAL A 39 -8.648 3.496 -4.372 1.00 0.00 C ATOM 147 C VAL A 39 -8.041 2.792 -3.166 1.00 0.00 C ATOM 148 O VAL A 39 -7.213 1.894 -3.311 1.00 0.00 O ATOM 149 CB VAL A 39 -8.009 4.895 -4.512 1.00 0.00 C ATOM 150 CG1 VAL A 39 -6.696 4.805 -5.275 1.00 0.00 C ATOM 151 CG2 VAL A 39 -8.960 5.865 -5.199 1.00 0.00 C ATOM 0 H VAL A 39 -10.459 4.485 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.438 2.932 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.805 5.276 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.259 5.799 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.007 4.153 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.880 4.398 -6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.484 6.842 -5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.204 5.492 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.874 5.956 -4.612 1.00 0.00 H new ATOM 161 N ARG A 40 -8.465 3.196 -1.972 1.00 0.00 N ATOM 162 CA ARG A 40 -7.967 2.589 -0.744 1.00 0.00 C ATOM 163 C ARG A 40 -8.298 1.097 -0.717 1.00 0.00 C ATOM 164 O ARG A 40 -7.607 0.309 -0.072 1.00 0.00 O ATOM 165 CB ARG A 40 -8.558 3.308 0.482 1.00 0.00 C ATOM 166 CG ARG A 40 -8.882 2.397 1.661 1.00 0.00 C ATOM 167 CD ARG A 40 -10.290 1.833 1.559 1.00 0.00 C ATOM 168 NE ARG A 40 -10.586 0.902 2.646 1.00 0.00 N ATOM 169 CZ ARG A 40 -10.842 1.281 3.896 1.00 0.00 C ATOM 170 NH1 ARG A 40 -10.840 2.568 4.221 1.00 0.00 N ATOM 171 NH2 ARG A 40 -11.100 0.370 4.825 1.00 0.00 N ATOM 0 H ARG A 40 -9.150 3.938 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.883 2.696 -0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.854 4.071 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.469 3.825 0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.163 1.579 1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.779 2.954 2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.010 2.651 1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.408 1.323 0.603 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.597 -0.096 2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.642 3.273 3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.037 2.852 5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.102 -0.620 4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.296 0.660 5.783 1.00 0.00 H new ATOM 185 N HIS A 41 -9.359 0.718 -1.424 1.00 0.00 N ATOM 186 CA HIS A 41 -9.780 -0.676 -1.484 1.00 0.00 C ATOM 187 C HIS A 41 -8.795 -1.511 -2.296 1.00 0.00 C ATOM 188 O HIS A 41 -8.527 -2.666 -1.966 1.00 0.00 O ATOM 189 CB HIS A 41 -11.179 -0.782 -2.096 1.00 0.00 C ATOM 190 CG HIS A 41 -12.282 -0.745 -1.084 1.00 0.00 C ATOM 191 ND1 HIS A 41 -13.214 0.202 -0.822 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.524 -1.772 -0.196 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.992 -0.265 0.208 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.556 -1.458 0.567 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.942 1.358 -1.963 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.804 -1.064 -0.466 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.319 0.035 -2.804 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.249 -1.710 -2.663 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.958 -2.690 -0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.825 0.259 0.652 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -13.949 -2.039 1.308 1.00 0.00 H new ATOM 203 N GLN A 42 -8.262 -0.923 -3.364 1.00 0.00 N ATOM 204 CA GLN A 42 -7.312 -1.622 -4.223 1.00 0.00 C ATOM 205 C GLN A 42 -5.965 -1.803 -3.525 1.00 0.00 C ATOM 206 O GLN A 42 -5.257 -2.780 -3.770 1.00 0.00 O ATOM 207 CB GLN A 42 -7.134 -0.871 -5.549 1.00 0.00 C ATOM 208 CG GLN A 42 -6.301 0.399 -5.441 1.00 0.00 C ATOM 209 CD GLN A 42 -5.103 0.393 -6.372 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.034 -0.108 -6.023 1.00 0.00 O ATOM 211 NE2 GLN A 42 -5.277 0.952 -7.564 1.00 0.00 N ATOM 0 H GLN A 42 -8.471 0.032 -3.654 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.716 -2.612 -4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.665 -1.539 -6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.117 -0.615 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.928 1.261 -5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.957 0.517 -4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.181 1.355 -7.811 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.507 0.978 -8.232 1.00 0.00 H new ATOM 220 N LEU A 43 -5.615 -0.859 -2.656 1.00 0.00 N ATOM 221 CA LEU A 43 -4.351 -0.925 -1.930 1.00 0.00 C ATOM 222 C LEU A 43 -4.493 -1.793 -0.682 1.00 0.00 C ATOM 223 O LEU A 43 -3.755 -2.761 -0.501 1.00 0.00 O ATOM 224 CB LEU A 43 -3.881 0.485 -1.536 1.00 0.00 C ATOM 225 CG LEU A 43 -2.583 0.994 -2.196 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.781 1.821 -1.204 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.733 -0.155 -2.727 1.00 0.00 C ATOM 0 H LEU A 43 -6.186 -0.043 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.606 -1.374 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.680 1.188 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.744 0.508 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.865 1.619 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.867 2.175 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.375 2.675 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.525 1.207 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.828 0.244 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.463 -0.818 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.300 -0.713 -3.472 1.00 0.00 H new ATOM 239 N ALA A 44 -5.445 -1.438 0.178 1.00 0.00 N ATOM 240 CA ALA A 44 -5.685 -2.182 1.414 1.00 0.00 C ATOM 241 C ALA A 44 -5.702 -3.689 1.168 1.00 0.00 C ATOM 242 O ALA A 44 -5.346 -4.475 2.045 1.00 0.00 O ATOM 243 CB ALA A 44 -6.996 -1.742 2.049 1.00 0.00 C ATOM 0 H ALA A 44 -6.064 -0.639 0.042 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.864 -1.963 2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.162 -2.304 2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.950 -0.677 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.817 -1.929 1.356 1.00 0.00 H new ATOM 249 N GLU A 45 -6.121 -4.085 -0.030 1.00 0.00 N ATOM 250 CA GLU A 45 -6.186 -5.497 -0.388 1.00 0.00 C ATOM 251 C GLU A 45 -4.804 -6.036 -0.748 1.00 0.00 C ATOM 252 O GLU A 45 -4.280 -6.925 -0.077 1.00 0.00 O ATOM 253 CB GLU A 45 -7.149 -5.704 -1.558 1.00 0.00 C ATOM 254 CG GLU A 45 -8.612 -5.724 -1.146 1.00 0.00 C ATOM 255 CD GLU A 45 -9.447 -6.660 -1.997 1.00 0.00 C ATOM 256 OE1 GLU A 45 -9.637 -6.361 -3.195 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.910 -7.691 -1.467 1.00 0.00 O ATOM 0 H GLU A 45 -6.420 -3.448 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.553 -6.047 0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.997 -4.909 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.907 -6.644 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.687 -6.026 -0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.019 -4.715 -1.217 1.00 0.00 H new ATOM 264 N SER A 46 -4.220 -5.493 -1.811 1.00 0.00 N ATOM 265 CA SER A 46 -2.899 -5.921 -2.261 1.00 0.00 C ATOM 266 C SER A 46 -1.855 -5.717 -1.167 1.00 0.00 C ATOM 267 O SER A 46 -0.987 -6.563 -0.957 1.00 0.00 O ATOM 268 CB SER A 46 -2.493 -5.154 -3.520 1.00 0.00 C ATOM 269 OG SER A 46 -1.252 -5.619 -4.023 1.00 0.00 O ATOM 0 H SER A 46 -4.640 -4.756 -2.377 1.00 0.00 H new ATOM 0 HA SER A 46 -2.950 -6.985 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.263 -5.267 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.422 -4.090 -3.294 1.00 0.00 H new ATOM 0 HG SER A 46 -1.016 -5.114 -4.829 1.00 0.00 H new ATOM 275 N ALA A 47 -1.946 -4.587 -0.473 1.00 0.00 N ATOM 276 CA ALA A 47 -1.011 -4.270 0.600 1.00 0.00 C ATOM 277 C ALA A 47 -1.147 -5.256 1.755 1.00 0.00 C ATOM 278 O ALA A 47 -1.789 -4.961 2.763 1.00 0.00 O ATOM 279 CB ALA A 47 -1.234 -2.847 1.089 1.00 0.00 C ATOM 0 H ALA A 47 -2.658 -3.875 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 47 0.001 -4.352 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.530 -2.623 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.080 -2.151 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.253 -2.746 1.463 1.00 0.00 H new ATOM 285 N GLY A 48 -0.538 -6.427 1.602 1.00 0.00 N ATOM 286 CA GLY A 48 -0.603 -7.438 2.641 1.00 0.00 C ATOM 287 C GLY A 48 0.290 -8.628 2.350 1.00 0.00 C ATOM 288 O GLY A 48 0.519 -8.972 1.191 1.00 0.00 O ATOM 0 H GLY A 48 -0.001 -6.694 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.313 -6.995 3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.633 -7.778 2.748 1.00 0.00 H new ATOM 292 N LEU A 49 0.795 -9.257 3.406 1.00 0.00 N ATOM 293 CA LEU A 49 1.668 -10.415 3.261 1.00 0.00 C ATOM 294 C LEU A 49 0.920 -11.704 3.606 1.00 0.00 C ATOM 295 O LEU A 49 0.324 -11.814 4.678 1.00 0.00 O ATOM 296 CB LEU A 49 2.899 -10.263 4.158 1.00 0.00 C ATOM 297 CG LEU A 49 4.184 -9.852 3.436 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.732 -11.013 2.621 1.00 0.00 C ATOM 299 CD2 LEU A 49 3.936 -8.644 2.544 1.00 0.00 C ATOM 0 H LEU A 49 0.614 -8.984 4.372 1.00 0.00 H new ATOM 0 HA LEU A 49 1.992 -10.473 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.680 -9.521 4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.075 -11.209 4.669 1.00 0.00 H new ATOM 0 HG LEU A 49 4.925 -9.577 4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.646 -10.703 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.951 -11.851 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.993 -11.319 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.862 -8.368 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.178 -8.890 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.591 -7.808 3.152 1.00 0.00 H new ATOM 311 N PRO A 50 0.937 -12.700 2.700 1.00 0.00 N ATOM 312 CA PRO A 50 0.251 -13.978 2.924 1.00 0.00 C ATOM 313 C PRO A 50 0.837 -14.756 4.103 1.00 0.00 C ATOM 314 O PRO A 50 0.340 -14.657 5.225 1.00 0.00 O ATOM 315 CB PRO A 50 0.453 -14.737 1.606 1.00 0.00 C ATOM 316 CG PRO A 50 1.641 -14.100 0.970 1.00 0.00 C ATOM 317 CD PRO A 50 1.616 -12.659 1.393 1.00 0.00 C ATOM 0 HA PRO A 50 -0.799 -13.836 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.623 -15.799 1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.426 -14.658 0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.563 -14.585 1.292 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.597 -14.189 -0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.622 -12.247 1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.075 -12.039 0.678 1.00 0.00 H new ATOM 325 N ARG A 51 1.892 -15.530 3.851 1.00 0.00 N ATOM 326 CA ARG A 51 2.527 -16.316 4.902 1.00 0.00 C ATOM 327 C ARG A 51 4.026 -16.466 4.653 1.00 0.00 C ATOM 328 O ARG A 51 4.839 -15.796 5.290 1.00 0.00 O ATOM 329 CB ARG A 51 1.869 -17.697 5.016 1.00 0.00 C ATOM 330 CG ARG A 51 1.397 -18.281 3.689 1.00 0.00 C ATOM 331 CD ARG A 51 0.010 -18.892 3.811 1.00 0.00 C ATOM 332 NE ARG A 51 -0.389 -19.591 2.592 1.00 0.00 N ATOM 333 CZ ARG A 51 -1.648 -19.912 2.301 1.00 0.00 C ATOM 334 NH1 ARG A 51 -2.631 -19.597 3.135 1.00 0.00 N ATOM 335 NH2 ARG A 51 -1.925 -20.550 1.172 1.00 0.00 N ATOM 0 H ARG A 51 2.322 -15.628 2.931 1.00 0.00 H new ATOM 0 HA ARG A 51 2.391 -15.782 5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.579 -18.388 5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.016 -17.625 5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.386 -17.499 2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.102 -19.041 3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.007 -19.588 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.714 -18.107 4.032 1.00 0.00 H new ATOM 0 HE ARG A 51 0.339 -19.848 1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.424 -19.106 4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.593 -19.846 2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.174 -20.795 0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.889 -20.796 0.949 1.00 0.00 H new ATOM 349 N ASP A 52 4.386 -17.350 3.728 1.00 0.00 N ATOM 350 CA ASP A 52 5.788 -17.589 3.400 1.00 0.00 C ATOM 351 C ASP A 52 6.472 -16.308 2.935 1.00 0.00 C ATOM 352 O ASP A 52 7.648 -16.082 3.222 1.00 0.00 O ATOM 353 CB ASP A 52 5.902 -18.663 2.316 1.00 0.00 C ATOM 354 CG ASP A 52 5.155 -19.931 2.677 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.915 -20.157 3.882 1.00 0.00 O ATOM 356 OD2 ASP A 52 4.808 -20.699 1.755 1.00 0.00 O ATOM 0 H ASP A 52 3.726 -17.913 3.192 1.00 0.00 H new ATOM 0 HA ASP A 52 6.289 -17.935 4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.512 -18.270 1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.953 -18.899 2.151 1.00 0.00 H new ATOM 361 N GLN A 53 5.731 -15.474 2.213 1.00 0.00 N ATOM 362 CA GLN A 53 6.269 -14.216 1.706 1.00 0.00 C ATOM 363 C GLN A 53 6.819 -13.357 2.842 1.00 0.00 C ATOM 364 O GLN A 53 7.762 -12.589 2.652 1.00 0.00 O ATOM 365 CB GLN A 53 5.189 -13.446 0.945 1.00 0.00 C ATOM 366 CG GLN A 53 4.803 -14.087 -0.378 1.00 0.00 C ATOM 367 CD GLN A 53 3.698 -13.332 -1.091 1.00 0.00 C ATOM 368 OE1 GLN A 53 3.485 -12.145 -0.848 1.00 0.00 O ATOM 369 NE2 GLN A 53 2.989 -14.020 -1.978 1.00 0.00 N ATOM 0 H GLN A 53 4.757 -15.646 1.966 1.00 0.00 H new ATOM 0 HA GLN A 53 7.088 -14.450 1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.302 -13.365 1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.541 -12.431 0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.680 -14.136 -1.024 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.481 -15.113 -0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.201 -15.003 -2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.233 -13.565 -2.490 1.00 0.00 H new ATOM 378 N HIS A 54 6.223 -13.491 4.022 1.00 0.00 N ATOM 379 CA HIS A 54 6.656 -12.727 5.187 1.00 0.00 C ATOM 380 C HIS A 54 7.732 -13.479 5.963 1.00 0.00 C ATOM 381 O HIS A 54 8.672 -12.877 6.482 1.00 0.00 O ATOM 382 CB HIS A 54 5.466 -12.432 6.102 1.00 0.00 C ATOM 383 CG HIS A 54 5.819 -11.588 7.287 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.703 -11.994 8.264 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.406 -10.349 7.647 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.819 -11.042 9.174 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.043 -10.034 8.822 1.00 0.00 N ATOM 0 H HIS A 54 5.440 -14.121 4.197 1.00 0.00 H new ATOM 0 HA HIS A 54 7.078 -11.786 4.835 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.690 -11.928 5.525 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.043 -13.374 6.450 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.706 -9.725 7.110 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.442 -11.082 10.055 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.934 -9.162 9.339 1.00 0.00 H new ATOM 396 N GLU A 55 7.587 -14.797 6.038 1.00 0.00 N ATOM 397 CA GLU A 55 8.545 -15.635 6.752 1.00 0.00 C ATOM 398 C GLU A 55 9.958 -15.455 6.201 1.00 0.00 C ATOM 399 O GLU A 55 10.940 -15.748 6.883 1.00 0.00 O ATOM 400 CB GLU A 55 8.135 -17.105 6.657 1.00 0.00 C ATOM 401 CG GLU A 55 6.876 -17.438 7.442 1.00 0.00 C ATOM 402 CD GLU A 55 6.366 -18.837 7.158 1.00 0.00 C ATOM 403 OE1 GLU A 55 6.582 -19.331 6.031 1.00 0.00 O ATOM 404 OE2 GLU A 55 5.750 -19.440 8.062 1.00 0.00 O ATOM 0 H GLU A 55 6.814 -15.310 5.613 1.00 0.00 H new ATOM 0 HA GLU A 55 8.544 -15.326 7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.979 -17.363 5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.954 -17.726 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.080 -17.339 8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.098 -16.715 7.198 1.00 0.00 H new ATOM 411 N PHE A 56 10.056 -14.975 4.965 1.00 0.00 N ATOM 412 CA PHE A 56 11.351 -14.764 4.330 1.00 0.00 C ATOM 413 C PHE A 56 11.806 -13.313 4.481 1.00 0.00 C ATOM 414 O PHE A 56 12.864 -13.040 5.044 1.00 0.00 O ATOM 415 CB PHE A 56 11.278 -15.154 2.845 1.00 0.00 C ATOM 416 CG PHE A 56 12.219 -14.388 1.952 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.588 -14.589 2.027 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.731 -13.464 1.041 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.452 -13.885 1.211 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.591 -12.757 0.222 1.00 0.00 C ATOM 421 CZ PHE A 56 13.953 -12.968 0.307 1.00 0.00 C ATOM 0 H PHE A 56 9.255 -14.725 4.385 1.00 0.00 H new ATOM 0 HA PHE A 56 12.085 -15.398 4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.493 -16.218 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.258 -15.003 2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.984 -15.305 2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.667 -13.295 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.517 -14.052 1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.198 -12.040 -0.484 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.627 -12.417 -0.332 1.00 0.00 H new ATOM 431 N VAL A 57 11.004 -12.391 3.962 1.00 0.00 N ATOM 432 CA VAL A 57 11.325 -10.969 4.019 1.00 0.00 C ATOM 433 C VAL A 57 11.469 -10.455 5.453 1.00 0.00 C ATOM 434 O VAL A 57 11.967 -9.350 5.669 1.00 0.00 O ATOM 435 CB VAL A 57 10.254 -10.130 3.294 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.900 -10.281 3.973 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.668 -8.666 3.232 1.00 0.00 C ATOM 0 H VAL A 57 10.123 -12.604 3.495 1.00 0.00 H new ATOM 0 HA VAL A 57 12.287 -10.858 3.518 1.00 0.00 H new ATOM 0 HB VAL A 57 10.164 -10.501 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.159 -9.681 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.598 -11.328 3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.972 -9.942 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.898 -8.092 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.792 -8.280 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.610 -8.577 2.691 1.00 0.00 H new ATOM 447 N SER A 58 11.023 -11.239 6.432 1.00 0.00 N ATOM 448 CA SER A 58 11.107 -10.817 7.829 1.00 0.00 C ATOM 449 C SER A 58 11.971 -11.759 8.665 1.00 0.00 C ATOM 450 O SER A 58 12.617 -11.329 9.621 1.00 0.00 O ATOM 451 CB SER A 58 9.706 -10.729 8.436 1.00 0.00 C ATOM 452 OG SER A 58 9.767 -10.435 9.820 1.00 0.00 O ATOM 0 H SER A 58 10.605 -12.158 6.288 1.00 0.00 H new ATOM 0 HA SER A 58 11.579 -9.835 7.842 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.132 -9.958 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.181 -11.672 8.284 1.00 0.00 H new ATOM 0 HG SER A 58 9.059 -9.798 10.051 1.00 0.00 H new ATOM 458 N SER A 59 11.968 -13.043 8.322 1.00 0.00 N ATOM 459 CA SER A 59 12.744 -14.028 9.072 1.00 0.00 C ATOM 460 C SER A 59 13.999 -14.475 8.321 1.00 0.00 C ATOM 461 O SER A 59 14.846 -15.168 8.885 1.00 0.00 O ATOM 462 CB SER A 59 11.874 -15.244 9.398 1.00 0.00 C ATOM 463 OG SER A 59 12.054 -15.655 10.742 1.00 0.00 O ATOM 0 H SER A 59 11.442 -13.425 7.536 1.00 0.00 H new ATOM 0 HA SER A 59 13.069 -13.547 9.994 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.825 -15.001 9.226 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.125 -16.065 8.727 1.00 0.00 H new ATOM 0 HG SER A 59 11.486 -16.432 10.925 1.00 0.00 H new ATOM 469 N GLN A 60 14.119 -14.094 7.053 1.00 0.00 N ATOM 470 CA GLN A 60 15.279 -14.484 6.255 1.00 0.00 C ATOM 471 C GLN A 60 16.002 -13.269 5.680 1.00 0.00 C ATOM 472 O GLN A 60 17.149 -12.995 6.031 1.00 0.00 O ATOM 473 CB GLN A 60 14.849 -15.414 5.121 1.00 0.00 C ATOM 474 CG GLN A 60 14.508 -16.821 5.585 1.00 0.00 C ATOM 475 CD GLN A 60 15.129 -17.891 4.709 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.683 -17.598 3.650 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.038 -19.142 5.147 1.00 0.00 N ATOM 0 H GLN A 60 13.435 -13.521 6.559 1.00 0.00 H new ATOM 0 HA GLN A 60 15.972 -15.007 6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.981 -14.985 4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.649 -15.468 4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.850 -16.954 6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.425 -16.945 5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.570 -19.340 6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.436 -19.904 4.599 1.00 0.00 H new ATOM 486 N ALA A 61 15.325 -12.553 4.786 1.00 0.00 N ATOM 487 CA ALA A 61 15.894 -11.370 4.141 1.00 0.00 C ATOM 488 C ALA A 61 16.676 -10.501 5.127 1.00 0.00 C ATOM 489 O ALA A 61 16.368 -10.465 6.319 1.00 0.00 O ATOM 490 CB ALA A 61 14.792 -10.557 3.480 1.00 0.00 C ATOM 0 H ALA A 61 14.374 -12.773 4.489 1.00 0.00 H new ATOM 0 HA ALA A 61 16.597 -11.713 3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.225 -9.678 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.290 -11.167 2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.070 -10.242 4.234 1.00 0.00 H new ATOM 496 N PRO A 62 17.705 -9.788 4.634 1.00 0.00 N ATOM 497 CA PRO A 62 18.540 -8.914 5.467 1.00 0.00 C ATOM 498 C PRO A 62 17.785 -7.683 5.955 1.00 0.00 C ATOM 499 O PRO A 62 16.758 -7.309 5.390 1.00 0.00 O ATOM 500 CB PRO A 62 19.675 -8.504 4.526 1.00 0.00 C ATOM 501 CG PRO A 62 19.093 -8.622 3.161 1.00 0.00 C ATOM 502 CD PRO A 62 18.135 -9.778 3.223 1.00 0.00 C ATOM 0 HA PRO A 62 18.879 -9.418 6.372 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.009 -7.486 4.728 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.542 -9.154 4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.580 -7.704 2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.871 -8.798 2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.292 -9.638 2.547 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.617 -10.715 2.943 1.00 0.00 H new ATOM 510 N GLN A 63 18.300 -7.059 7.012 1.00 0.00 N ATOM 511 CA GLN A 63 17.678 -5.867 7.584 1.00 0.00 C ATOM 512 C GLN A 63 17.276 -4.875 6.495 1.00 0.00 C ATOM 513 O GLN A 63 16.201 -4.279 6.553 1.00 0.00 O ATOM 514 CB GLN A 63 18.630 -5.195 8.574 1.00 0.00 C ATOM 515 CG GLN A 63 17.948 -4.186 9.484 1.00 0.00 C ATOM 516 CD GLN A 63 17.708 -4.728 10.879 1.00 0.00 C ATOM 517 OE1 GLN A 63 16.846 -5.583 11.086 1.00 0.00 O ATOM 518 NE2 GLN A 63 18.471 -4.232 11.846 1.00 0.00 N ATOM 0 H GLN A 63 19.149 -7.360 7.491 1.00 0.00 H new ATOM 0 HA GLN A 63 16.776 -6.181 8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.105 -5.962 9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.423 -4.694 8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.561 -3.287 9.548 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.995 -3.891 9.044 1.00 0.00 H new ATOM 0 HE21 GLN A 63 19.173 -3.525 11.629 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.355 -4.558 12.805 1.00 0.00 H new ATOM 527 N SER A 64 18.142 -4.707 5.499 1.00 0.00 N ATOM 528 CA SER A 64 17.870 -3.791 4.396 1.00 0.00 C ATOM 529 C SER A 64 16.550 -4.142 3.717 1.00 0.00 C ATOM 530 O SER A 64 15.832 -3.266 3.233 1.00 0.00 O ATOM 531 CB SER A 64 19.010 -3.832 3.377 1.00 0.00 C ATOM 532 OG SER A 64 19.271 -2.543 2.850 1.00 0.00 O ATOM 0 H SER A 64 19.037 -5.193 5.433 1.00 0.00 H new ATOM 0 HA SER A 64 17.794 -2.782 4.801 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.910 -4.224 3.850 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.753 -4.514 2.567 1.00 0.00 H new ATOM 0 HG SER A 64 20.005 -2.597 2.203 1.00 0.00 H new ATOM 538 N LEU A 65 16.235 -5.431 3.691 1.00 0.00 N ATOM 539 CA LEU A 65 15.001 -5.906 3.080 1.00 0.00 C ATOM 540 C LEU A 65 13.835 -5.778 4.056 1.00 0.00 C ATOM 541 O LEU A 65 12.692 -5.566 3.652 1.00 0.00 O ATOM 542 CB LEU A 65 15.158 -7.364 2.639 1.00 0.00 C ATOM 543 CG LEU A 65 14.589 -7.689 1.257 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.079 -7.505 1.241 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.249 -6.821 0.195 1.00 0.00 C ATOM 0 H LEU A 65 16.819 -6.167 4.087 1.00 0.00 H new ATOM 0 HA LEU A 65 14.790 -5.291 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.218 -7.618 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.671 -8.004 3.375 1.00 0.00 H new ATOM 0 HG LEU A 65 14.805 -8.733 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.694 -7.741 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.624 -8.170 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.836 -6.472 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.834 -7.064 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.064 -5.770 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.323 -7.007 0.189 1.00 0.00 H new ATOM 557 N ARG A 66 14.135 -5.913 5.345 1.00 0.00 N ATOM 558 CA ARG A 66 13.118 -5.819 6.386 1.00 0.00 C ATOM 559 C ARG A 66 12.729 -4.367 6.656 1.00 0.00 C ATOM 560 O ARG A 66 11.548 -4.025 6.660 1.00 0.00 O ATOM 561 CB ARG A 66 13.621 -6.473 7.674 1.00 0.00 C ATOM 562 CG ARG A 66 14.202 -7.862 7.462 1.00 0.00 C ATOM 563 CD ARG A 66 15.314 -8.162 8.455 1.00 0.00 C ATOM 564 NE ARG A 66 15.022 -9.345 9.262 1.00 0.00 N ATOM 565 CZ ARG A 66 15.939 -10.006 9.965 1.00 0.00 C ATOM 566 NH1 ARG A 66 17.204 -9.604 9.963 1.00 0.00 N ATOM 567 NH2 ARG A 66 15.589 -11.072 10.672 1.00 0.00 N ATOM 0 H ARG A 66 15.077 -6.088 5.693 1.00 0.00 H new ATOM 0 HA ARG A 66 12.231 -6.346 6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.382 -5.834 8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.798 -6.537 8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.412 -8.607 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.589 -7.944 6.446 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.250 -8.312 7.917 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.457 -7.302 9.110 1.00 0.00 H new ATOM 0 HE ARG A 66 14.060 -9.684 9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.478 -8.785 9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.902 -10.115 10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.618 -11.385 10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.291 -11.579 11.211 1.00 0.00 H new ATOM 581 N ASN A 67 13.724 -3.516 6.888 1.00 0.00 N ATOM 582 CA ASN A 67 13.464 -2.106 7.164 1.00 0.00 C ATOM 583 C ASN A 67 12.743 -1.446 5.992 1.00 0.00 C ATOM 584 O ASN A 67 11.893 -0.577 6.187 1.00 0.00 O ATOM 585 CB ASN A 67 14.767 -1.363 7.471 1.00 0.00 C ATOM 586 CG ASN A 67 15.830 -1.581 6.414 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.566 -2.162 5.364 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.042 -1.113 6.689 1.00 0.00 N ATOM 0 H ASN A 67 14.711 -3.775 6.891 1.00 0.00 H new ATOM 0 HA ASN A 67 12.819 -2.050 8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.560 -0.296 7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.149 -1.693 8.437 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.799 -1.230 6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.216 -0.637 7.574 1.00 0.00 H new ATOM 595 N ARG A 68 13.078 -1.867 4.775 1.00 0.00 N ATOM 596 CA ARG A 68 12.447 -1.313 3.582 1.00 0.00 C ATOM 597 C ARG A 68 11.022 -1.840 3.433 1.00 0.00 C ATOM 598 O ARG A 68 10.147 -1.155 2.903 1.00 0.00 O ATOM 599 CB ARG A 68 13.270 -1.650 2.334 1.00 0.00 C ATOM 600 CG ARG A 68 13.195 -3.112 1.921 1.00 0.00 C ATOM 601 CD ARG A 68 13.829 -3.341 0.558 1.00 0.00 C ATOM 602 NE ARG A 68 12.947 -4.082 -0.341 1.00 0.00 N ATOM 603 CZ ARG A 68 11.919 -3.536 -0.987 1.00 0.00 C ATOM 604 NH1 ARG A 68 11.638 -2.248 -0.835 1.00 0.00 N ATOM 605 NH2 ARG A 68 11.169 -4.281 -1.788 1.00 0.00 N ATOM 0 H ARG A 68 13.778 -2.585 4.590 1.00 0.00 H new ATOM 0 HA ARG A 68 12.406 -0.229 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.925 -1.031 1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.312 -1.387 2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.699 -3.728 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.153 -3.431 1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.079 -2.380 0.109 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.764 -3.888 0.681 1.00 0.00 H new ATOM 0 HE ARG A 68 13.130 -5.076 -0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.211 -1.670 -0.220 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.849 -1.836 -1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.380 -5.272 -1.909 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.381 -3.863 -2.283 1.00 0.00 H new ATOM 619 N TYR A 69 10.798 -3.062 3.912 1.00 0.00 N ATOM 620 CA TYR A 69 9.481 -3.687 3.842 1.00 0.00 C ATOM 621 C TYR A 69 8.426 -2.799 4.497 1.00 0.00 C ATOM 622 O TYR A 69 7.339 -2.601 3.952 1.00 0.00 O ATOM 623 CB TYR A 69 9.519 -5.061 4.522 1.00 0.00 C ATOM 624 CG TYR A 69 8.161 -5.702 4.712 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.299 -5.264 5.710 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.745 -6.748 3.899 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.061 -5.850 5.891 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.508 -7.339 4.073 1.00 0.00 C ATOM 629 CZ TYR A 69 5.670 -6.886 5.071 1.00 0.00 C ATOM 630 OH TYR A 69 4.439 -7.472 5.250 1.00 0.00 O ATOM 0 H TYR A 69 11.514 -3.639 4.353 1.00 0.00 H new ATOM 0 HA TYR A 69 9.212 -3.817 2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.143 -5.729 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.998 -4.958 5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.602 -4.452 6.355 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.399 -7.106 3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.403 -5.498 6.671 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.199 -8.151 3.431 1.00 0.00 H new ATOM 0 HH TYR A 69 3.811 -6.811 5.608 1.00 0.00 H new ATOM 640 N ASN A 70 8.756 -2.265 5.668 1.00 0.00 N ATOM 641 CA ASN A 70 7.841 -1.396 6.399 1.00 0.00 C ATOM 642 C ASN A 70 7.781 -0.009 5.766 1.00 0.00 C ATOM 643 O ASN A 70 6.788 0.705 5.909 1.00 0.00 O ATOM 644 CB ASN A 70 8.271 -1.287 7.864 1.00 0.00 C ATOM 645 CG ASN A 70 7.150 -1.637 8.823 1.00 0.00 C ATOM 646 OD1 ASN A 70 6.351 -0.781 9.202 1.00 0.00 O ATOM 647 ND2 ASN A 70 7.087 -2.903 9.221 1.00 0.00 N ATOM 0 H ASN A 70 9.651 -2.419 6.132 1.00 0.00 H new ATOM 0 HA ASN A 70 6.845 -1.836 6.352 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.118 -1.950 8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.614 -0.272 8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.355 -3.199 9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.771 -3.579 8.881 1.00 0.00 H new ATOM 654 N ASN A 71 8.847 0.369 5.066 1.00 0.00 N ATOM 655 CA ASN A 71 8.910 1.672 4.413 1.00 0.00 C ATOM 656 C ASN A 71 7.781 1.828 3.398 1.00 0.00 C ATOM 657 O ASN A 71 6.924 2.701 3.535 1.00 0.00 O ATOM 658 CB ASN A 71 10.262 1.854 3.721 1.00 0.00 C ATOM 659 CG ASN A 71 10.694 3.307 3.670 1.00 0.00 C ATOM 660 OD1 ASN A 71 10.162 4.150 4.392 1.00 0.00 O ATOM 661 ND2 ASN A 71 11.663 3.606 2.814 1.00 0.00 N ATOM 0 H ASN A 71 9.678 -0.208 4.937 1.00 0.00 H new ATOM 0 HA ASN A 71 8.795 2.440 5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.018 1.271 4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.204 1.459 2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.995 4.567 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.075 2.875 2.235 1.00 0.00 H new ATOM 668 N LEU A 72 7.786 0.974 2.378 1.00 0.00 N ATOM 669 CA LEU A 72 6.762 1.019 1.341 1.00 0.00 C ATOM 670 C LEU A 72 5.369 0.872 1.946 1.00 0.00 C ATOM 671 O LEU A 72 4.412 1.498 1.488 1.00 0.00 O ATOM 672 CB LEU A 72 7.003 -0.083 0.305 1.00 0.00 C ATOM 673 CG LEU A 72 6.882 -1.514 0.835 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.421 -1.929 0.931 1.00 0.00 C ATOM 675 CD2 LEU A 72 7.654 -2.479 -0.056 1.00 0.00 C ATOM 0 H LEU A 72 8.487 0.244 2.248 1.00 0.00 H new ATOM 0 HA LEU A 72 6.823 1.989 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.292 0.046 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.000 0.048 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 72 7.313 -1.547 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.357 -2.949 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.896 -1.256 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.963 -1.879 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.557 -3.492 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.251 -2.441 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.706 -2.196 -0.073 1.00 0.00 H new ATOM 687 N TYR A 73 5.261 0.041 2.979 1.00 0.00 N ATOM 688 CA TYR A 73 3.982 -0.182 3.640 1.00 0.00 C ATOM 689 C TYR A 73 3.581 1.028 4.474 1.00 0.00 C ATOM 690 O TYR A 73 2.398 1.351 4.583 1.00 0.00 O ATOM 691 CB TYR A 73 4.042 -1.430 4.522 1.00 0.00 C ATOM 692 CG TYR A 73 2.681 -2.013 4.831 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.692 -2.073 3.857 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.384 -2.501 6.098 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.447 -2.600 4.134 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.140 -3.031 6.384 1.00 0.00 C ATOM 697 CZ TYR A 73 0.175 -3.078 5.399 1.00 0.00 C ATOM 698 OH TYR A 73 -1.065 -3.604 5.680 1.00 0.00 O ATOM 0 H TYR A 73 6.040 -0.486 3.374 1.00 0.00 H new ATOM 0 HA TYR A 73 3.228 -0.333 2.867 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.649 -2.187 4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.543 -1.181 5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.901 -1.700 2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.137 -2.466 6.871 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.310 -2.638 3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.924 -3.406 7.373 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.412 -4.065 4.888 1.00 0.00 H new ATOM 708 N SER A 74 4.570 1.703 5.055 1.00 0.00 N ATOM 709 CA SER A 74 4.306 2.885 5.868 1.00 0.00 C ATOM 710 C SER A 74 3.473 3.891 5.081 1.00 0.00 C ATOM 711 O SER A 74 2.627 4.589 5.640 1.00 0.00 O ATOM 712 CB SER A 74 5.617 3.529 6.322 1.00 0.00 C ATOM 713 OG SER A 74 6.179 2.826 7.417 1.00 0.00 O ATOM 0 H SER A 74 5.556 1.453 4.978 1.00 0.00 H new ATOM 0 HA SER A 74 3.747 2.577 6.751 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.325 3.543 5.493 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.437 4.566 6.605 1.00 0.00 H new ATOM 0 HG SER A 74 6.515 1.958 7.111 1.00 0.00 H new ATOM 719 N HIS A 75 3.715 3.946 3.776 1.00 0.00 N ATOM 720 CA HIS A 75 2.983 4.851 2.899 1.00 0.00 C ATOM 721 C HIS A 75 1.596 4.293 2.598 1.00 0.00 C ATOM 722 O HIS A 75 0.640 5.045 2.410 1.00 0.00 O ATOM 723 CB HIS A 75 3.753 5.068 1.595 1.00 0.00 C ATOM 724 CG HIS A 75 4.709 6.219 1.646 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.044 6.103 1.319 1.00 0.00 N ATOM 726 CD2 HIS A 75 4.519 7.516 1.986 1.00 0.00 C ATOM 727 CE1 HIS A 75 6.633 7.278 1.457 1.00 0.00 C ATOM 728 NE2 HIS A 75 5.729 8.152 1.859 1.00 0.00 N ATOM 0 H HIS A 75 4.414 3.373 3.302 1.00 0.00 H new ATOM 0 HA HIS A 75 2.874 5.809 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.304 4.159 1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.041 5.234 0.786 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.589 7.966 2.299 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.676 7.488 1.272 1.00 0.00 H new ATOM 0 HE2 HIS A 75 5.902 9.140 2.045 1.00 0.00 H new ATOM 737 N THR A 76 1.496 2.967 2.557 1.00 0.00 N ATOM 738 CA THR A 76 0.228 2.302 2.280 1.00 0.00 C ATOM 739 C THR A 76 -0.717 2.396 3.475 1.00 0.00 C ATOM 740 O THR A 76 -1.929 2.538 3.312 1.00 0.00 O ATOM 741 CB THR A 76 0.462 0.832 1.933 1.00 0.00 C ATOM 742 OG1 THR A 76 1.390 0.707 0.871 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.804 0.110 1.529 1.00 0.00 C ATOM 0 H THR A 76 2.279 2.332 2.712 1.00 0.00 H new ATOM 0 HA THR A 76 -0.231 2.808 1.431 1.00 0.00 H new ATOM 0 HB THR A 76 0.848 0.375 2.844 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.279 0.979 1.180 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.572 -0.929 1.295 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.521 0.146 2.349 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.233 0.592 0.651 1.00 0.00 H new ATOM 751 N GLN A 77 -0.155 2.302 4.674 1.00 0.00 N ATOM 752 CA GLN A 77 -0.949 2.363 5.897 1.00 0.00 C ATOM 753 C GLN A 77 -1.405 3.789 6.199 1.00 0.00 C ATOM 754 O GLN A 77 -2.383 3.994 6.918 1.00 0.00 O ATOM 755 CB GLN A 77 -0.144 1.814 7.075 1.00 0.00 C ATOM 756 CG GLN A 77 0.246 0.353 6.918 1.00 0.00 C ATOM 757 CD GLN A 77 1.077 -0.158 8.079 1.00 0.00 C ATOM 758 OE1 GLN A 77 0.636 -1.019 8.840 1.00 0.00 O ATOM 759 NE2 GLN A 77 2.286 0.372 8.220 1.00 0.00 N ATOM 0 H GLN A 77 0.847 2.183 4.826 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.838 1.750 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.760 2.411 7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.728 1.929 7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.656 -0.252 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.807 0.228 5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.610 1.084 7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.890 0.068 8.983 1.00 0.00 H new ATOM 768 N ARG A 78 -0.692 4.773 5.657 1.00 0.00 N ATOM 769 CA ARG A 78 -1.034 6.173 5.885 1.00 0.00 C ATOM 770 C ARG A 78 -1.837 6.748 4.720 1.00 0.00 C ATOM 771 O ARG A 78 -2.660 7.644 4.907 1.00 0.00 O ATOM 772 CB ARG A 78 0.234 7.001 6.106 1.00 0.00 C ATOM 773 CG ARG A 78 1.113 7.115 4.869 1.00 0.00 C ATOM 774 CD ARG A 78 1.259 8.559 4.409 1.00 0.00 C ATOM 775 NE ARG A 78 2.657 8.931 4.211 1.00 0.00 N ATOM 776 CZ ARG A 78 3.054 10.134 3.803 1.00 0.00 C ATOM 777 NH1 ARG A 78 2.164 11.085 3.548 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.347 10.388 3.649 1.00 0.00 N ATOM 0 H ARG A 78 0.122 4.627 5.060 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.654 6.222 6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.048 8.001 6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.814 6.553 6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.098 6.701 5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.685 6.518 4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.711 8.700 3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.808 9.222 5.147 1.00 0.00 H new ATOM 0 HE ARG A 78 3.372 8.227 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.168 10.896 3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.476 12.005 3.236 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.036 9.662 3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.652 11.310 3.336 1.00 0.00 H new ATOM 792 N THR A 79 -1.591 6.233 3.520 1.00 0.00 N ATOM 793 CA THR A 79 -2.292 6.704 2.330 1.00 0.00 C ATOM 794 C THR A 79 -3.769 6.325 2.377 1.00 0.00 C ATOM 795 O THR A 79 -4.641 7.148 2.099 1.00 0.00 O ATOM 796 CB THR A 79 -1.647 6.130 1.068 1.00 0.00 C ATOM 797 OG1 THR A 79 -2.202 6.723 -0.093 1.00 0.00 O ATOM 798 CG2 THR A 79 -1.810 4.631 0.940 1.00 0.00 C ATOM 0 H THR A 79 -0.913 5.491 3.345 1.00 0.00 H new ATOM 0 HA THR A 79 -2.216 7.791 2.306 1.00 0.00 H new ATOM 0 HB THR A 79 -0.585 6.357 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.029 6.149 -0.868 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.329 4.290 0.023 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.348 4.140 1.796 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.871 4.382 0.908 1.00 0.00 H new ATOM 806 N LEU A 80 -4.043 5.072 2.727 1.00 0.00 N ATOM 807 CA LEU A 80 -5.415 4.581 2.806 1.00 0.00 C ATOM 808 C LEU A 80 -6.251 5.433 3.757 1.00 0.00 C ATOM 809 O LEU A 80 -7.400 5.762 3.463 1.00 0.00 O ATOM 810 CB LEU A 80 -5.434 3.123 3.268 1.00 0.00 C ATOM 811 CG LEU A 80 -4.664 2.143 2.379 1.00 0.00 C ATOM 812 CD1 LEU A 80 -4.168 0.960 3.197 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.543 1.670 1.232 1.00 0.00 C ATOM 0 H LEU A 80 -3.333 4.378 2.961 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.850 4.648 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.022 3.073 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.471 2.793 3.331 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.798 2.657 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.623 0.273 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.507 1.316 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.018 0.442 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.983 0.974 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.425 1.170 1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.852 2.527 0.633 1.00 0.00 H new ATOM 825 N ASP A 81 -5.667 5.787 4.899 1.00 0.00 N ATOM 826 CA ASP A 81 -6.361 6.599 5.894 1.00 0.00 C ATOM 827 C ASP A 81 -6.884 7.892 5.277 1.00 0.00 C ATOM 828 O ASP A 81 -8.063 8.223 5.410 1.00 0.00 O ATOM 829 CB ASP A 81 -5.425 6.918 7.062 1.00 0.00 C ATOM 830 CG ASP A 81 -5.570 5.932 8.205 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.090 4.821 7.968 1.00 0.00 O ATOM 832 OD2 ASP A 81 -5.164 6.271 9.336 1.00 0.00 O ATOM 0 H ASP A 81 -4.716 5.525 5.158 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.212 6.027 6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.394 6.912 6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.632 7.925 7.426 1.00 0.00 H new ATOM 837 N MET A 82 -6.001 8.619 4.600 1.00 0.00 N ATOM 838 CA MET A 82 -6.374 9.875 3.961 1.00 0.00 C ATOM 839 C MET A 82 -7.485 9.658 2.937 1.00 0.00 C ATOM 840 O MET A 82 -8.279 10.560 2.669 1.00 0.00 O ATOM 841 CB MET A 82 -5.155 10.506 3.285 1.00 0.00 C ATOM 842 CG MET A 82 -4.125 11.041 4.266 1.00 0.00 C ATOM 843 SD MET A 82 -3.064 12.305 3.539 1.00 0.00 S ATOM 844 CE MET A 82 -1.995 11.300 2.513 1.00 0.00 C ATOM 0 H MET A 82 -5.022 8.359 4.480 1.00 0.00 H new ATOM 0 HA MET A 82 -6.745 10.551 4.732 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.681 9.764 2.642 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.488 11.320 2.641 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.637 11.457 5.134 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.508 10.217 4.625 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.280 11.940 1.996 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.458 10.586 3.137 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.596 10.761 1.780 1.00 0.00 H new ATOM 854 N ALA A 83 -7.537 8.457 2.370 1.00 0.00 N ATOM 855 CA ALA A 83 -8.553 8.125 1.379 1.00 0.00 C ATOM 856 C ALA A 83 -9.929 8.008 2.026 1.00 0.00 C ATOM 857 O ALA A 83 -10.923 8.493 1.485 1.00 0.00 O ATOM 858 CB ALA A 83 -8.190 6.831 0.664 1.00 0.00 C ATOM 0 H ALA A 83 -6.888 7.699 2.580 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.591 8.932 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.957 6.595 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.229 6.949 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.123 6.021 1.390 1.00 0.00 H new ATOM 864 N ASP A 84 -9.980 7.362 3.187 1.00 0.00 N ATOM 865 CA ASP A 84 -11.234 7.181 3.910 1.00 0.00 C ATOM 866 C ASP A 84 -11.464 8.323 4.896 1.00 0.00 C ATOM 867 O ASP A 84 -11.772 8.096 6.066 1.00 0.00 O ATOM 868 CB ASP A 84 -11.230 5.841 4.650 1.00 0.00 C ATOM 869 CG ASP A 84 -12.559 5.120 4.548 1.00 0.00 C ATOM 870 OD1 ASP A 84 -13.180 5.171 3.465 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.980 4.504 5.550 1.00 0.00 O ATOM 0 H ASP A 84 -9.166 6.955 3.648 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.048 7.184 3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.443 5.206 4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.991 6.010 5.700 1.00 0.00 H new ATOM 876 N MET A 85 -11.311 9.553 4.415 1.00 0.00 N ATOM 877 CA MET A 85 -11.500 10.730 5.256 1.00 0.00 C ATOM 878 C MET A 85 -12.427 11.744 4.590 1.00 0.00 C ATOM 879 O MET A 85 -13.302 12.319 5.236 1.00 0.00 O ATOM 880 CB MET A 85 -10.150 11.381 5.561 1.00 0.00 C ATOM 881 CG MET A 85 -10.084 12.018 6.938 1.00 0.00 C ATOM 882 SD MET A 85 -10.311 10.823 8.269 1.00 0.00 S ATOM 883 CE MET A 85 -8.986 11.295 9.379 1.00 0.00 C ATOM 0 H MET A 85 -11.057 9.760 3.449 1.00 0.00 H new ATOM 0 HA MET A 85 -11.964 10.406 6.188 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.366 10.629 5.479 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.943 12.141 4.807 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.120 12.512 7.059 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.850 12.790 7.014 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.411 10.411 9.656 1.00 0.00 H new ATOM 0 HE2 MET A 85 -8.333 12.012 8.882 1.00 0.00 H new ATOM 0 HE3 MET A 85 -9.407 11.749 10.276 1.00 0.00 H new ATOM 893 N GLN A 86 -12.219 11.966 3.296 1.00 0.00 N ATOM 894 CA GLN A 86 -13.022 12.921 2.534 1.00 0.00 C ATOM 895 C GLN A 86 -14.521 12.690 2.728 1.00 0.00 C ATOM 896 O GLN A 86 -15.317 13.622 2.613 1.00 0.00 O ATOM 897 CB GLN A 86 -12.674 12.835 1.048 1.00 0.00 C ATOM 898 CG GLN A 86 -12.715 14.177 0.336 1.00 0.00 C ATOM 899 CD GLN A 86 -11.702 15.160 0.888 1.00 0.00 C ATOM 900 OE1 GLN A 86 -12.057 16.252 1.333 1.00 0.00 O ATOM 901 NE2 GLN A 86 -10.431 14.777 0.862 1.00 0.00 N ATOM 0 H GLN A 86 -11.498 11.496 2.749 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.787 13.917 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.678 12.406 0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.369 12.152 0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.528 14.026 -0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.715 14.602 0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.181 13.863 0.484 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.704 15.397 1.220 1.00 0.00 H new ATOM 910 N HIS A 87 -14.903 11.449 3.015 1.00 0.00 N ATOM 911 CA HIS A 87 -16.311 11.113 3.216 1.00 0.00 C ATOM 912 C HIS A 87 -16.850 11.755 4.491 1.00 0.00 C ATOM 913 O HIS A 87 -17.109 11.072 5.480 1.00 0.00 O ATOM 914 CB HIS A 87 -16.505 9.596 3.279 1.00 0.00 C ATOM 915 CG HIS A 87 -15.652 8.834 2.314 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.351 8.471 2.586 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.922 8.360 1.075 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.857 7.809 1.557 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.789 7.727 0.627 1.00 0.00 N ATOM 0 H HIS A 87 -14.262 10.662 3.113 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.868 11.505 2.365 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.287 9.254 4.290 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.552 9.365 3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.854 8.461 0.539 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.859 7.403 1.488 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.685 7.268 -0.278 1.00 0.00 H new ATOM 928 N ARG A 88 -17.017 13.071 4.461 1.00 0.00 N ATOM 929 CA ARG A 88 -17.523 13.807 5.616 1.00 0.00 C ATOM 930 C ARG A 88 -18.872 13.262 6.087 1.00 0.00 C ATOM 931 O ARG A 88 -19.287 13.513 7.218 1.00 0.00 O ATOM 932 CB ARG A 88 -17.657 15.295 5.283 1.00 0.00 C ATOM 933 CG ARG A 88 -16.488 15.854 4.487 1.00 0.00 C ATOM 934 CD ARG A 88 -16.387 17.364 4.630 1.00 0.00 C ATOM 935 NE ARG A 88 -17.570 18.043 4.107 1.00 0.00 N ATOM 936 CZ ARG A 88 -17.601 19.333 3.781 1.00 0.00 C ATOM 937 NH1 ARG A 88 -16.518 20.088 3.924 1.00 0.00 N ATOM 938 NH2 ARG A 88 -18.718 19.872 3.311 1.00 0.00 N ATOM 0 H ARG A 88 -16.810 13.653 3.649 1.00 0.00 H new ATOM 0 HA ARG A 88 -16.804 13.678 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -18.576 15.450 4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -17.755 15.858 6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.561 15.393 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.606 15.594 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -16.257 17.621 5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.502 17.720 4.103 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.422 17.496 3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.656 19.680 4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.548 21.076 3.672 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.554 19.298 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.741 20.861 3.061 1.00 0.00 H new ATOM 952 N TYR A 89 -19.560 12.529 5.215 1.00 0.00 N ATOM 953 CA TYR A 89 -20.866 11.972 5.554 1.00 0.00 C ATOM 954 C TYR A 89 -20.774 10.498 5.947 1.00 0.00 C ATOM 955 O TYR A 89 -21.584 10.009 6.734 1.00 0.00 O ATOM 956 CB TYR A 89 -21.828 12.132 4.376 1.00 0.00 C ATOM 957 CG TYR A 89 -22.184 13.570 4.073 1.00 0.00 C ATOM 958 CD1 TYR A 89 -23.186 14.221 4.781 1.00 0.00 C ATOM 959 CD2 TYR A 89 -21.518 14.277 3.079 1.00 0.00 C ATOM 960 CE1 TYR A 89 -23.515 15.535 4.508 1.00 0.00 C ATOM 961 CE2 TYR A 89 -21.841 15.591 2.800 1.00 0.00 C ATOM 962 CZ TYR A 89 -22.840 16.215 3.516 1.00 0.00 C ATOM 963 OH TYR A 89 -23.164 17.524 3.241 1.00 0.00 O ATOM 0 H TYR A 89 -19.237 12.308 4.273 1.00 0.00 H new ATOM 0 HA TYR A 89 -21.242 12.524 6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -21.380 11.683 3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -22.742 11.577 4.587 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -23.717 13.691 5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -20.735 13.791 2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -24.296 16.027 5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -21.313 16.127 2.025 1.00 0.00 H new ATOM 0 HH TYR A 89 -22.594 17.857 2.516 1.00 0.00 H new ATOM 973 N MET A 90 -19.800 9.787 5.385 1.00 0.00 N ATOM 974 CA MET A 90 -19.635 8.364 5.675 1.00 0.00 C ATOM 975 C MET A 90 -18.624 8.121 6.794 1.00 0.00 C ATOM 976 O MET A 90 -18.754 7.161 7.555 1.00 0.00 O ATOM 977 CB MET A 90 -19.204 7.612 4.416 1.00 0.00 C ATOM 978 CG MET A 90 -20.112 7.859 3.221 1.00 0.00 C ATOM 979 SD MET A 90 -19.220 7.849 1.654 1.00 0.00 S ATOM 980 CE MET A 90 -19.357 9.569 1.177 1.00 0.00 C ATOM 0 H MET A 90 -19.117 10.169 4.731 1.00 0.00 H new ATOM 0 HA MET A 90 -20.601 7.989 6.012 1.00 0.00 H new ATOM 0 HB2 MET A 90 -18.187 7.907 4.157 1.00 0.00 H new ATOM 0 HB3 MET A 90 -19.181 6.544 4.630 1.00 0.00 H new ATOM 0 HG2 MET A 90 -20.889 7.095 3.197 1.00 0.00 H new ATOM 0 HG3 MET A 90 -20.613 8.819 3.343 1.00 0.00 H new ATOM 0 HE1 MET A 90 -19.892 9.643 0.230 1.00 0.00 H new ATOM 0 HE2 MET A 90 -19.902 10.117 1.945 1.00 0.00 H new ATOM 0 HE3 MET A 90 -18.360 9.996 1.065 1.00 0.00 H new ATOM 990 N THR A 91 -17.614 8.981 6.893 1.00 0.00 N ATOM 991 CA THR A 91 -16.592 8.832 7.924 1.00 0.00 C ATOM 992 C THR A 91 -16.490 10.091 8.782 1.00 0.00 C ATOM 993 O THR A 91 -17.395 10.925 8.785 1.00 0.00 O ATOM 994 CB THR A 91 -15.238 8.503 7.289 1.00 0.00 C ATOM 995 OG1 THR A 91 -14.279 8.199 8.285 1.00 0.00 O ATOM 996 CG2 THR A 91 -14.677 9.623 6.440 1.00 0.00 C ATOM 0 H THR A 91 -17.482 9.783 6.277 1.00 0.00 H new ATOM 0 HA THR A 91 -16.883 8.006 8.573 1.00 0.00 H new ATOM 0 HB THR A 91 -15.428 7.645 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 91 -13.395 8.108 7.871 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.717 9.318 6.023 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.370 9.847 5.629 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.539 10.512 7.055 1.00 0.00 H new ATOM 1004 N GLY A 92 -15.388 10.218 9.517 1.00 0.00 N ATOM 1005 CA GLY A 92 -15.200 11.372 10.376 1.00 0.00 C ATOM 1006 C GLY A 92 -14.400 12.475 9.713 1.00 0.00 C ATOM 1007 O GLY A 92 -13.184 12.364 9.558 1.00 0.00 O ATOM 0 H GLY A 92 -14.624 9.543 9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.174 11.763 10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.693 11.060 11.289 1.00 0.00 H new ATOM 1011 N ALA A 93 -15.088 13.544 9.324 1.00 0.00 N ATOM 1012 CA ALA A 93 -14.443 14.679 8.675 1.00 0.00 C ATOM 1013 C ALA A 93 -14.057 15.755 9.687 1.00 0.00 C ATOM 1014 O ALA A 93 -14.103 16.948 9.385 1.00 0.00 O ATOM 1015 CB ALA A 93 -15.355 15.262 7.607 1.00 0.00 C ATOM 0 H ALA A 93 -16.095 13.647 9.448 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.528 14.320 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.862 16.109 7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.572 14.500 6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.286 15.596 8.066 1.00 0.00 H new ATOM 1021 N SER A 94 -13.678 15.330 10.889 1.00 0.00 N ATOM 1022 CA SER A 94 -13.287 16.261 11.941 1.00 0.00 C ATOM 1023 C SER A 94 -11.759 16.358 12.031 1.00 0.00 C ATOM 1024 O SER A 94 -11.116 16.831 11.094 1.00 0.00 O ATOM 1025 CB SER A 94 -13.893 15.829 13.280 1.00 0.00 C ATOM 1026 OG SER A 94 -15.308 15.803 13.214 1.00 0.00 O ATOM 0 H SER A 94 -13.634 14.347 11.158 1.00 0.00 H new ATOM 0 HA SER A 94 -13.671 17.251 11.697 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.520 14.841 13.550 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.575 16.515 14.065 1.00 0.00 H new ATOM 0 HG SER A 94 -15.671 15.523 14.080 1.00 0.00 H new ATOM 1032 N GLY A 95 -11.178 15.914 13.148 1.00 0.00 N ATOM 1033 CA GLY A 95 -9.735 15.970 13.302 1.00 0.00 C ATOM 1034 C GLY A 95 -9.018 15.090 12.296 1.00 0.00 C ATOM 1035 O GLY A 95 -8.540 14.007 12.636 1.00 0.00 O ATOM 0 H GLY A 95 -11.680 15.519 13.943 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.398 17.000 13.186 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.466 15.659 14.311 1.00 0.00 H new ATOM 1039 N ILE A 96 -8.954 15.553 11.053 1.00 0.00 N ATOM 1040 CA ILE A 96 -8.304 14.804 9.985 1.00 0.00 C ATOM 1041 C ILE A 96 -6.864 15.263 9.779 1.00 0.00 C ATOM 1042 O ILE A 96 -6.353 16.097 10.525 1.00 0.00 O ATOM 1043 CB ILE A 96 -9.074 14.952 8.658 1.00 0.00 C ATOM 1044 CG1 ILE A 96 -9.094 16.416 8.212 1.00 0.00 C ATOM 1045 CG2 ILE A 96 -10.492 14.423 8.810 1.00 0.00 C ATOM 1046 CD1 ILE A 96 -9.678 16.618 6.831 1.00 0.00 C ATOM 0 H ILE A 96 -9.346 16.448 10.759 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.302 13.757 10.288 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.565 14.366 7.893 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.671 16.999 8.930 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.076 16.807 8.228 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.025 14.534 7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.459 13.369 9.087 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -11.009 14.987 9.586 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.661 17.679 6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.088 16.063 6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -10.707 16.258 6.815 1.00 0.00 H new ATOM 1058 N ASN A 97 -6.217 14.712 8.755 1.00 0.00 N ATOM 1059 CA ASN A 97 -4.837 15.062 8.438 1.00 0.00 C ATOM 1060 C ASN A 97 -4.681 16.573 8.282 1.00 0.00 C ATOM 1061 O ASN A 97 -5.671 17.301 8.200 1.00 0.00 O ATOM 1062 CB ASN A 97 -4.401 14.361 7.151 1.00 0.00 C ATOM 1063 CG ASN A 97 -5.344 14.640 5.997 1.00 0.00 C ATOM 1064 OD1 ASN A 97 -5.275 15.850 5.453 1.00 0.00 O flip ATOM 1065 ND2 ASN A 97 -6.127 13.778 5.598 1.00 0.00 N flip ATOM 0 H ASN A 97 -6.629 14.019 8.130 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.204 14.732 9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.396 14.688 6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.350 13.286 7.324 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.147 12.861 6.045 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.756 13.981 4.821 1.00 0.00 H new ATOM 1072 N PRO A 98 -3.432 17.068 8.239 1.00 0.00 N ATOM 1073 CA PRO A 98 -3.150 18.500 8.092 1.00 0.00 C ATOM 1074 C PRO A 98 -3.522 19.031 6.707 1.00 0.00 C ATOM 1075 O PRO A 98 -2.688 19.608 6.009 1.00 0.00 O ATOM 1076 CB PRO A 98 -1.631 18.601 8.314 1.00 0.00 C ATOM 1077 CG PRO A 98 -1.217 17.279 8.872 1.00 0.00 C ATOM 1078 CD PRO A 98 -2.198 16.280 8.335 1.00 0.00 C ATOM 0 HA PRO A 98 -3.735 19.097 8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.112 18.812 7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.389 19.410 9.003 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -0.200 17.029 8.570 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.231 17.293 9.962 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.890 15.889 7.365 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.313 15.425 9.002 1.00 0.00 H new ATOM 1086 N GLY A 99 -4.781 18.840 6.317 1.00 0.00 N ATOM 1087 CA GLY A 99 -5.237 19.312 5.022 1.00 0.00 C ATOM 1088 C GLY A 99 -4.515 18.649 3.863 1.00 0.00 C ATOM 1089 O GLY A 99 -3.286 18.677 3.790 1.00 0.00 O ATOM 0 H GLY A 99 -5.492 18.367 6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.307 19.127 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.094 20.391 4.963 1.00 0.00 H new ATOM 1093 N MET A 100 -5.282 18.057 2.952 1.00 0.00 N ATOM 1094 CA MET A 100 -4.712 17.390 1.787 1.00 0.00 C ATOM 1095 C MET A 100 -5.768 17.204 0.699 1.00 0.00 C ATOM 1096 O MET A 100 -6.961 17.117 0.988 1.00 0.00 O ATOM 1097 CB MET A 100 -4.119 16.035 2.184 1.00 0.00 C ATOM 1098 CG MET A 100 -5.163 14.999 2.574 1.00 0.00 C ATOM 1099 SD MET A 100 -5.275 13.644 1.390 1.00 0.00 S ATOM 1100 CE MET A 100 -6.950 13.852 0.792 1.00 0.00 C ATOM 0 H MET A 100 -6.300 18.026 2.999 1.00 0.00 H new ATOM 0 HA MET A 100 -3.915 18.020 1.391 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.530 15.649 1.352 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.434 16.179 3.019 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.920 14.597 3.558 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.136 15.483 2.659 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.006 13.537 -0.250 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.628 13.245 1.392 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.236 14.901 0.870 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.321 17.149 -0.552 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.229 16.978 -1.681 1.00 0.00 C ATOM 1112 C LEU A 101 -6.679 15.522 -1.809 1.00 0.00 C ATOM 1113 O LEU A 101 -5.883 14.602 -1.629 1.00 0.00 O ATOM 1114 CB LEU A 101 -5.554 17.432 -2.977 1.00 0.00 C ATOM 1115 CG LEU A 101 -5.291 18.939 -3.076 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -3.836 19.208 -3.433 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -6.220 19.577 -4.098 1.00 0.00 C ATOM 0 H LEU A 101 -4.337 17.220 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.110 17.594 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.605 16.905 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.178 17.131 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.492 19.386 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.670 20.283 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.189 18.787 -2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.606 18.746 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.019 20.647 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.052 19.124 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.256 19.418 -3.798 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.970 15.295 -2.122 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.523 13.942 -2.272 1.00 0.00 C ATOM 1131 C PRO A 102 -7.720 13.081 -3.242 1.00 0.00 C ATOM 1132 O PRO A 102 -7.756 11.852 -3.169 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.928 14.191 -2.823 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.279 15.563 -2.364 1.00 0.00 C ATOM 1135 CD PRO A 102 -8.990 16.336 -2.354 1.00 0.00 C ATOM 0 HA PRO A 102 -8.506 13.395 -1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.944 14.122 -3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.637 13.454 -2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.006 16.024 -3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.728 15.540 -1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.826 16.856 -3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.980 17.091 -1.568 1.00 0.00 H new ATOM 1143 N HIS A 103 -7.003 13.728 -4.154 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.200 13.014 -5.141 1.00 0.00 C ATOM 1145 C HIS A 103 -4.888 12.516 -4.537 1.00 0.00 C ATOM 1146 O HIS A 103 -4.276 11.581 -5.052 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.916 13.913 -6.346 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.014 15.069 -6.036 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.746 15.101 -5.560 1.00 0.00 N flip ATOM 1150 CD2 HIS A 103 -5.390 16.384 -6.209 1.00 0.00 C flip ATOM 1151 CE1 HIS A 103 -3.385 16.422 -5.457 1.00 0.00 C flip ATOM 1152 NE2 HIS A 103 -4.393 17.175 -5.854 1.00 0.00 N flip ATOM 0 H HIS A 103 -6.961 14.744 -4.231 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.771 12.146 -5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.465 13.314 -7.137 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.860 14.294 -6.734 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -3.168 14.295 -5.323 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.350 16.716 -6.577 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.430 16.786 -5.107 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.460 13.145 -3.446 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.219 12.760 -2.779 1.00 0.00 C ATOM 1163 C GLU A 104 -3.216 11.271 -2.446 1.00 0.00 C ATOM 1164 O GLU A 104 -2.302 10.541 -2.829 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.026 13.579 -1.503 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.884 15.071 -1.754 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.455 15.478 -2.054 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.964 15.153 -3.155 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.826 16.121 -1.187 1.00 0.00 O ATOM 0 H GLU A 104 -4.953 13.922 -3.005 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.393 12.962 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.875 13.410 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.138 13.221 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.523 15.358 -2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.238 15.618 -0.880 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.247 10.826 -1.734 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.363 9.423 -1.353 1.00 0.00 C ATOM 1178 C ASN A 105 -4.411 8.529 -2.587 1.00 0.00 C ATOM 1179 O ASN A 105 -3.969 7.381 -2.553 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.616 9.206 -0.502 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.855 9.808 -1.135 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.504 9.184 -1.975 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.189 11.029 -0.734 1.00 0.00 N ATOM 0 H ASN A 105 -5.013 11.416 -1.410 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.484 9.156 -0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.770 8.137 -0.353 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.464 9.647 0.483 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.013 11.487 -1.125 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.622 11.509 -0.035 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.950 9.065 -3.678 1.00 0.00 N ATOM 1191 CA VAL A 106 -5.053 8.318 -4.925 1.00 0.00 C ATOM 1192 C VAL A 106 -3.673 8.050 -5.516 1.00 0.00 C ATOM 1193 O VAL A 106 -3.295 6.900 -5.738 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.907 9.071 -5.964 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -6.111 8.222 -7.209 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -7.245 9.477 -5.364 1.00 0.00 C ATOM 0 H VAL A 106 -5.322 10.014 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.537 7.370 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.374 9.976 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.716 8.772 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.143 7.988 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.620 7.297 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.834 10.007 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.785 8.586 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.077 10.129 -4.507 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.926 9.120 -5.767 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.586 9.002 -6.331 1.00 0.00 C ATOM 1208 C ASP A 107 -0.692 8.152 -5.434 1.00 0.00 C ATOM 1209 O ASP A 107 0.175 7.423 -5.915 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.968 10.388 -6.521 1.00 0.00 C ATOM 1211 CG ASP A 107 0.064 10.414 -7.632 1.00 0.00 C ATOM 1212 OD1 ASP A 107 0.811 9.423 -7.772 1.00 0.00 O ATOM 1213 OD2 ASP A 107 0.125 11.426 -8.362 1.00 0.00 O ATOM 0 H ASP A 107 -3.226 10.079 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.668 8.512 -7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.756 11.107 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.502 10.706 -5.588 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.913 8.249 -4.126 1.00 0.00 N ATOM 1219 CA ASP A 108 -0.131 7.487 -3.160 1.00 0.00 C ATOM 1220 C ASP A 108 -0.559 6.023 -3.149 1.00 0.00 C ATOM 1221 O ASP A 108 0.238 5.135 -2.844 1.00 0.00 O ATOM 1222 CB ASP A 108 -0.286 8.086 -1.761 1.00 0.00 C ATOM 1223 CG ASP A 108 0.646 9.259 -1.528 1.00 0.00 C ATOM 1224 OD1 ASP A 108 0.833 10.064 -2.464 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.190 9.371 -0.409 1.00 0.00 O ATOM 0 H ASP A 108 -1.627 8.848 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 108 0.917 7.539 -3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.317 8.411 -1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.090 7.316 -1.015 1.00 0.00 H new ATOM 1230 N MET A 109 -1.822 5.777 -3.484 1.00 0.00 N ATOM 1231 CA MET A 109 -2.354 4.419 -3.514 1.00 0.00 C ATOM 1232 C MET A 109 -1.567 3.554 -4.491 1.00 0.00 C ATOM 1233 O MET A 109 -0.996 2.530 -4.114 1.00 0.00 O ATOM 1234 CB MET A 109 -3.835 4.440 -3.903 1.00 0.00 C ATOM 1235 CG MET A 109 -4.707 3.516 -3.066 1.00 0.00 C ATOM 1236 SD MET A 109 -4.522 3.791 -1.294 1.00 0.00 S ATOM 1237 CE MET A 109 -5.632 5.173 -1.056 1.00 0.00 C ATOM 0 H MET A 109 -2.495 6.500 -3.738 1.00 0.00 H new ATOM 0 HA MET A 109 -2.256 3.989 -2.517 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.210 5.459 -3.811 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.929 4.160 -4.952 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.751 3.660 -3.344 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.456 2.481 -3.296 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.086 6.007 -0.615 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.045 5.478 -2.018 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.443 4.878 -0.391 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.534 3.981 -5.747 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.810 3.256 -6.783 1.00 0.00 C ATOM 1249 C ARG A 110 0.686 3.247 -6.487 1.00 0.00 C ATOM 1250 O ARG A 110 1.415 2.367 -6.946 1.00 0.00 O ATOM 1251 CB ARG A 110 -1.065 3.890 -8.151 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.694 5.364 -8.214 1.00 0.00 C ATOM 1253 CD ARG A 110 0.091 5.694 -9.475 1.00 0.00 C ATOM 1254 NE ARG A 110 -0.704 6.462 -10.429 1.00 0.00 N ATOM 1255 CZ ARG A 110 -0.401 6.585 -11.719 1.00 0.00 C ATOM 1256 NH1 ARG A 110 0.679 5.992 -12.214 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -1.179 7.302 -12.518 1.00 0.00 N ATOM 0 H ARG A 110 -2.001 4.827 -6.073 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.170 2.227 -6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.496 3.347 -8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.119 3.777 -8.404 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.600 5.969 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.102 5.628 -7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.984 6.260 -9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.428 4.770 -9.945 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.542 6.932 -10.086 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.281 5.439 -11.605 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.906 6.090 -13.204 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.010 7.760 -12.144 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.946 7.396 -13.507 1.00 0.00 H new ATOM 1271 N SER A 111 1.138 4.229 -5.714 1.00 0.00 N ATOM 1272 CA SER A 111 2.547 4.331 -5.354 1.00 0.00 C ATOM 1273 C SER A 111 2.991 3.094 -4.585 1.00 0.00 C ATOM 1274 O SER A 111 4.084 2.568 -4.803 1.00 0.00 O ATOM 1275 CB SER A 111 2.794 5.586 -4.516 1.00 0.00 C ATOM 1276 OG SER A 111 4.181 5.845 -4.380 1.00 0.00 O ATOM 0 H SER A 111 0.549 4.965 -5.325 1.00 0.00 H new ATOM 0 HA SER A 111 3.131 4.401 -6.271 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.306 6.441 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.346 5.463 -3.530 1.00 0.00 H new ATOM 0 HG SER A 111 4.312 6.653 -3.841 1.00 0.00 H new ATOM 1282 N ALA A 112 2.131 2.627 -3.687 1.00 0.00 N ATOM 1283 CA ALA A 112 2.431 1.446 -2.891 1.00 0.00 C ATOM 1284 C ALA A 112 2.495 0.207 -3.775 1.00 0.00 C ATOM 1285 O ALA A 112 3.308 -0.688 -3.548 1.00 0.00 O ATOM 1286 CB ALA A 112 1.392 1.270 -1.795 1.00 0.00 C ATOM 0 H ALA A 112 1.222 3.048 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 112 3.406 1.581 -2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.629 0.383 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.395 2.146 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.405 1.155 -2.244 1.00 0.00 H new ATOM 1292 N ILE A 113 1.637 0.166 -4.791 1.00 0.00 N ATOM 1293 CA ILE A 113 1.606 -0.962 -5.713 1.00 0.00 C ATOM 1294 C ILE A 113 2.923 -1.068 -6.474 1.00 0.00 C ATOM 1295 O ILE A 113 3.382 -2.163 -6.787 1.00 0.00 O ATOM 1296 CB ILE A 113 0.420 -0.856 -6.703 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.322 -2.191 -6.786 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.881 -0.417 -8.089 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.353 -2.377 -5.694 1.00 0.00 C ATOM 0 H ILE A 113 0.957 0.899 -4.995 1.00 0.00 H new ATOM 0 HA ILE A 113 1.467 -1.867 -5.121 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.261 -0.093 -6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.814 -2.265 -7.756 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.402 -3.004 -6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.021 -0.354 -8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.359 0.560 -8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.593 -1.143 -8.483 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.840 -3.345 -5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.864 -2.336 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.099 -1.585 -5.759 1.00 0.00 H new ATOM 1311 N THR A 114 3.535 0.079 -6.760 1.00 0.00 N ATOM 1312 CA THR A 114 4.808 0.100 -7.469 1.00 0.00 C ATOM 1313 C THR A 114 5.848 -0.684 -6.683 1.00 0.00 C ATOM 1314 O THR A 114 6.504 -1.580 -7.214 1.00 0.00 O ATOM 1315 CB THR A 114 5.286 1.538 -7.675 1.00 0.00 C ATOM 1316 OG1 THR A 114 5.808 2.070 -6.471 1.00 0.00 O ATOM 1317 CG2 THR A 114 4.196 2.470 -8.157 1.00 0.00 C ATOM 0 H THR A 114 3.171 0.999 -6.513 1.00 0.00 H new ATOM 0 HA THR A 114 4.670 -0.362 -8.447 1.00 0.00 H new ATOM 0 HB THR A 114 6.054 1.479 -8.446 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.110 2.578 -6.008 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.604 3.473 -8.282 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.809 2.114 -9.112 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.389 2.495 -7.425 1.00 0.00 H new ATOM 1325 N ASP A 115 5.976 -0.346 -5.405 1.00 0.00 N ATOM 1326 CA ASP A 115 6.919 -1.022 -4.526 1.00 0.00 C ATOM 1327 C ASP A 115 6.447 -2.442 -4.233 1.00 0.00 C ATOM 1328 O ASP A 115 7.215 -3.399 -4.340 1.00 0.00 O ATOM 1329 CB ASP A 115 7.076 -0.247 -3.217 1.00 0.00 C ATOM 1330 CG ASP A 115 8.492 -0.303 -2.678 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.167 -1.333 -2.888 1.00 0.00 O ATOM 1332 OD2 ASP A 115 8.926 0.683 -2.046 1.00 0.00 O ATOM 0 H ASP A 115 5.437 0.394 -4.955 1.00 0.00 H new ATOM 0 HA ASP A 115 7.885 -1.067 -5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.792 0.793 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.391 -0.653 -2.473 1.00 0.00 H new ATOM 1337 N TRP A 116 5.174 -2.571 -3.865 1.00 0.00 N ATOM 1338 CA TRP A 116 4.592 -3.872 -3.559 1.00 0.00 C ATOM 1339 C TRP A 116 4.702 -4.810 -4.755 1.00 0.00 C ATOM 1340 O TRP A 116 5.281 -5.892 -4.655 1.00 0.00 O ATOM 1341 CB TRP A 116 3.127 -3.716 -3.150 1.00 0.00 C ATOM 1342 CG TRP A 116 2.945 -3.532 -1.676 1.00 0.00 C ATOM 1343 CD1 TRP A 116 2.913 -2.350 -0.996 1.00 0.00 C ATOM 1344 CD2 TRP A 116 2.777 -4.565 -0.699 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.735 -2.584 0.345 1.00 0.00 N ATOM 1346 CE2 TRP A 116 2.649 -3.936 0.553 1.00 0.00 C ATOM 1347 CE3 TRP A 116 2.722 -5.960 -0.762 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.470 -4.654 1.732 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 2.544 -6.672 0.409 1.00 0.00 C ATOM 1350 CH2 TRP A 116 2.419 -6.018 1.641 1.00 0.00 C ATOM 0 H TRP A 116 4.527 -1.788 -3.772 1.00 0.00 H new ATOM 0 HA TRP A 116 5.148 -4.305 -2.728 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.699 -2.860 -3.672 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.571 -4.596 -3.472 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.013 -1.373 -1.446 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.676 -1.868 1.069 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.817 -6.472 -1.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.375 -4.153 2.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.501 -7.751 0.373 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.279 -6.603 2.538 1.00 0.00 H new ATOM 1361 N SER A 117 4.150 -4.387 -5.888 1.00 0.00 N ATOM 1362 CA SER A 117 4.197 -5.192 -7.105 1.00 0.00 C ATOM 1363 C SER A 117 5.633 -5.598 -7.421 1.00 0.00 C ATOM 1364 O SER A 117 5.912 -6.757 -7.730 1.00 0.00 O ATOM 1365 CB SER A 117 3.603 -4.416 -8.283 1.00 0.00 C ATOM 1366 OG SER A 117 4.466 -3.370 -8.692 1.00 0.00 O ATOM 0 H SER A 117 3.666 -3.495 -5.989 1.00 0.00 H new ATOM 0 HA SER A 117 3.605 -6.092 -6.942 1.00 0.00 H new ATOM 0 HB2 SER A 117 3.428 -5.094 -9.118 1.00 0.00 H new ATOM 0 HB3 SER A 117 2.635 -4.003 -7.999 1.00 0.00 H new ATOM 0 HG SER A 117 4.334 -2.591 -8.112 1.00 0.00 H new ATOM 1372 N ASP A 118 6.542 -4.633 -7.328 1.00 0.00 N ATOM 1373 CA ASP A 118 7.953 -4.884 -7.591 1.00 0.00 C ATOM 1374 C ASP A 118 8.507 -5.898 -6.597 1.00 0.00 C ATOM 1375 O ASP A 118 9.398 -6.683 -6.925 1.00 0.00 O ATOM 1376 CB ASP A 118 8.750 -3.581 -7.506 1.00 0.00 C ATOM 1377 CG ASP A 118 10.153 -3.725 -8.064 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.288 -4.189 -9.215 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.115 -3.374 -7.349 1.00 0.00 O ATOM 0 H ASP A 118 6.326 -3.670 -7.072 1.00 0.00 H new ATOM 0 HA ASP A 118 8.048 -5.291 -8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.223 -2.799 -8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.807 -3.260 -6.466 1.00 0.00 H new ATOM 1384 N MET A 119 7.969 -5.876 -5.382 1.00 0.00 N ATOM 1385 CA MET A 119 8.403 -6.794 -4.337 1.00 0.00 C ATOM 1386 C MET A 119 7.941 -8.214 -4.643 1.00 0.00 C ATOM 1387 O MET A 119 8.668 -9.178 -4.408 1.00 0.00 O ATOM 1388 CB MET A 119 7.856 -6.350 -2.979 1.00 0.00 C ATOM 1389 CG MET A 119 8.782 -6.668 -1.816 1.00 0.00 C ATOM 1390 SD MET A 119 8.430 -5.667 -0.359 1.00 0.00 S ATOM 1391 CE MET A 119 9.834 -6.071 0.676 1.00 0.00 C ATOM 0 H MET A 119 7.231 -5.232 -5.097 1.00 0.00 H new ATOM 0 HA MET A 119 9.492 -6.781 -4.303 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.674 -5.276 -3.004 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.894 -6.833 -2.809 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.688 -7.723 -1.559 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.815 -6.505 -2.123 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.531 -6.054 1.723 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.200 -7.065 0.420 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.626 -5.340 0.516 1.00 0.00 H new ATOM 1401 N ARG A 120 6.728 -8.336 -5.173 1.00 0.00 N ATOM 1402 CA ARG A 120 6.170 -9.640 -5.516 1.00 0.00 C ATOM 1403 C ARG A 120 7.130 -10.422 -6.408 1.00 0.00 C ATOM 1404 O ARG A 120 7.312 -11.628 -6.236 1.00 0.00 O ATOM 1405 CB ARG A 120 4.820 -9.471 -6.217 1.00 0.00 C ATOM 1406 CG ARG A 120 3.629 -9.793 -5.328 1.00 0.00 C ATOM 1407 CD ARG A 120 2.898 -8.533 -4.893 1.00 0.00 C ATOM 1408 NE ARG A 120 1.515 -8.807 -4.507 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.759 -7.963 -3.810 1.00 0.00 C ATOM 1410 NH1 ARG A 120 1.246 -6.792 -3.420 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.489 -8.291 -3.501 1.00 0.00 N ATOM 0 H ARG A 120 6.113 -7.548 -5.374 1.00 0.00 H new ATOM 0 HA ARG A 120 6.022 -10.202 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.731 -8.445 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.793 -10.116 -7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 120 2.941 -10.447 -5.864 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.968 -10.340 -4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.425 -8.080 -4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.910 -7.808 -5.707 1.00 0.00 H new ATOM 0 HE ARG A 120 1.106 -9.698 -4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.205 -6.535 -3.654 1.00 0.00 H new ATOM 0 HH12 ARG A 120 0.662 -6.149 -2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.868 -9.190 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.069 -7.644 -2.967 1.00 0.00 H new ATOM 1425 N GLU A 121 7.743 -9.726 -7.359 1.00 0.00 N ATOM 1426 CA GLU A 121 8.686 -10.353 -8.278 1.00 0.00 C ATOM 1427 C GLU A 121 10.064 -10.494 -7.636 1.00 0.00 C ATOM 1428 O GLU A 121 10.786 -11.455 -7.899 1.00 0.00 O ATOM 1429 CB GLU A 121 8.794 -9.536 -9.567 1.00 0.00 C ATOM 1430 CG GLU A 121 7.669 -9.806 -10.553 1.00 0.00 C ATOM 1431 CD GLU A 121 8.163 -9.932 -11.981 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.888 -9.024 -12.441 1.00 0.00 O ATOM 1433 OE2 GLU A 121 7.826 -10.938 -12.639 1.00 0.00 O ATOM 0 H GLU A 121 7.604 -8.727 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 121 8.313 -11.349 -8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.799 -8.475 -9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.748 -9.755 -10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.154 -10.723 -10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.939 -8.999 -10.495 1.00 0.00 H new ATOM 1440 N ALA A 122 10.422 -9.528 -6.796 1.00 0.00 N ATOM 1441 CA ALA A 122 11.715 -9.544 -6.119 1.00 0.00 C ATOM 1442 C ALA A 122 11.753 -10.601 -5.021 1.00 0.00 C ATOM 1443 O ALA A 122 12.584 -11.509 -5.049 1.00 0.00 O ATOM 1444 CB ALA A 122 12.022 -8.171 -5.541 1.00 0.00 C ATOM 0 H ALA A 122 9.836 -8.725 -6.568 1.00 0.00 H new ATOM 0 HA ALA A 122 12.477 -9.799 -6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.989 -8.196 -5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.050 -7.436 -6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.248 -7.896 -4.825 1.00 0.00 H new ATOM 1450 N LEU A 123 10.849 -10.476 -4.053 1.00 0.00 N ATOM 1451 CA LEU A 123 10.779 -11.418 -2.940 1.00 0.00 C ATOM 1452 C LEU A 123 10.724 -12.859 -3.443 1.00 0.00 C ATOM 1453 O LEU A 123 11.401 -13.738 -2.910 1.00 0.00 O ATOM 1454 CB LEU A 123 9.556 -11.117 -2.068 1.00 0.00 C ATOM 1455 CG LEU A 123 9.872 -10.696 -0.632 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.866 -9.544 -0.620 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.596 -10.308 0.101 1.00 0.00 C ATOM 0 H LEU A 123 10.154 -9.730 -4.017 1.00 0.00 H new ATOM 0 HA LEU A 123 11.682 -11.301 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.976 -10.326 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.922 -12.003 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 123 10.323 -11.543 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.079 -9.258 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.789 -9.855 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.443 -8.693 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.838 -10.011 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.119 -9.475 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.916 -11.159 0.123 1.00 0.00 H new ATOM 1469 N GLN A 124 9.916 -13.094 -4.472 1.00 0.00 N ATOM 1470 CA GLN A 124 9.778 -14.429 -5.044 1.00 0.00 C ATOM 1471 C GLN A 124 11.122 -14.944 -5.551 1.00 0.00 C ATOM 1472 O GLN A 124 11.527 -16.063 -5.239 1.00 0.00 O ATOM 1473 CB GLN A 124 8.758 -14.414 -6.185 1.00 0.00 C ATOM 1474 CG GLN A 124 7.378 -14.897 -5.772 1.00 0.00 C ATOM 1475 CD GLN A 124 6.613 -15.529 -6.919 1.00 0.00 C ATOM 1476 OE1 GLN A 124 6.807 -16.702 -7.238 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.738 -14.751 -7.546 1.00 0.00 N ATOM 0 H GLN A 124 9.348 -12.379 -4.926 1.00 0.00 H new ATOM 0 HA GLN A 124 9.425 -15.100 -4.261 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.677 -13.400 -6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 124 9.125 -15.041 -6.998 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.478 -15.622 -4.964 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.806 -14.057 -5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 124 5.610 -13.784 -7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.194 -15.120 -8.326 1.00 0.00 H new ATOM 1486 N HIS A 125 11.809 -14.118 -6.334 1.00 0.00 N ATOM 1487 CA HIS A 125 13.107 -14.488 -6.885 1.00 0.00 C ATOM 1488 C HIS A 125 14.143 -14.653 -5.776 1.00 0.00 C ATOM 1489 O HIS A 125 15.025 -15.507 -5.859 1.00 0.00 O ATOM 1490 CB HIS A 125 13.577 -13.431 -7.889 1.00 0.00 C ATOM 1491 CG HIS A 125 13.808 -13.975 -9.265 1.00 0.00 C ATOM 1492 ND1 HIS A 125 15.007 -14.526 -9.665 1.00 0.00 N ATOM 1493 CD2 HIS A 125 12.985 -14.050 -10.338 1.00 0.00 C ATOM 1494 CE1 HIS A 125 14.912 -14.915 -10.924 1.00 0.00 C ATOM 1495 NE2 HIS A 125 13.696 -14.638 -11.356 1.00 0.00 N ATOM 0 H HIS A 125 11.488 -13.187 -6.601 1.00 0.00 H new ATOM 0 HA HIS A 125 12.998 -15.443 -7.398 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.834 -12.635 -7.942 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.501 -12.981 -7.525 1.00 0.00 H new ATOM 0 HD1 HIS A 125 15.838 -14.619 -9.080 1.00 0.00 H new ATOM 0 HD2 HIS A 125 11.961 -13.711 -10.385 1.00 0.00 H new ATOM 0 HE1 HIS A 125 15.697 -15.381 -11.502 1.00 0.00 H new ATOM 1504 N ALA A 126 14.029 -13.830 -4.738 1.00 0.00 N ATOM 1505 CA ALA A 126 14.956 -13.884 -3.614 1.00 0.00 C ATOM 1506 C ALA A 126 14.680 -15.097 -2.731 1.00 0.00 C ATOM 1507 O ALA A 126 15.604 -15.781 -2.292 1.00 0.00 O ATOM 1508 CB ALA A 126 14.870 -12.604 -2.798 1.00 0.00 C ATOM 0 H ALA A 126 13.304 -13.118 -4.652 1.00 0.00 H new ATOM 0 HA ALA A 126 15.966 -13.981 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.567 -12.658 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.125 -11.752 -3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.856 -12.483 -2.417 1.00 0.00 H new ATOM 1514 N MET A 127 13.401 -15.359 -2.474 1.00 0.00 N ATOM 1515 CA MET A 127 13.002 -16.490 -1.642 1.00 0.00 C ATOM 1516 C MET A 127 13.628 -17.788 -2.144 1.00 0.00 C ATOM 1517 O MET A 127 13.923 -18.691 -1.361 1.00 0.00 O ATOM 1518 CB MET A 127 11.478 -16.622 -1.619 1.00 0.00 C ATOM 1519 CG MET A 127 10.925 -17.067 -0.275 1.00 0.00 C ATOM 1520 SD MET A 127 9.203 -17.594 -0.372 1.00 0.00 S ATOM 1521 CE MET A 127 8.388 -16.037 -0.714 1.00 0.00 C ATOM 0 H MET A 127 12.623 -14.803 -2.830 1.00 0.00 H new ATOM 0 HA MET A 127 13.360 -16.304 -0.629 1.00 0.00 H new ATOM 0 HB2 MET A 127 11.035 -15.662 -1.885 1.00 0.00 H new ATOM 0 HB3 MET A 127 11.172 -17.337 -2.383 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.531 -17.888 0.109 1.00 0.00 H new ATOM 0 HG3 MET A 127 11.010 -16.247 0.438 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.322 -16.131 -0.506 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.814 -15.257 -0.083 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.531 -15.774 -1.762 1.00 0.00 H new ATOM 1531 N GLY A 128 13.829 -17.873 -3.455 1.00 0.00 N ATOM 1532 CA GLY A 128 14.420 -19.064 -4.038 1.00 0.00 C ATOM 1533 C GLY A 128 13.696 -19.521 -5.289 1.00 0.00 C ATOM 1534 O GLY A 128 13.449 -20.713 -5.471 1.00 0.00 O ATOM 0 H GLY A 128 13.594 -17.140 -4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 128 15.465 -18.866 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 128 14.409 -19.868 -3.302 1.00 0.00 H new ATOM 1538 N ILE A 129 13.355 -18.572 -6.155 1.00 0.00 N ATOM 1539 CA ILE A 129 12.657 -18.885 -7.396 1.00 0.00 C ATOM 1540 C ILE A 129 13.406 -18.332 -8.603 1.00 0.00 C ATOM 1541 O ILE A 129 14.181 -17.383 -8.484 1.00 0.00 O ATOM 1542 CB ILE A 129 11.223 -18.323 -7.394 1.00 0.00 C ATOM 1543 CG1 ILE A 129 10.509 -18.691 -6.092 1.00 0.00 C ATOM 1544 CG2 ILE A 129 10.449 -18.844 -8.596 1.00 0.00 C ATOM 1545 CD1 ILE A 129 9.255 -17.883 -5.841 1.00 0.00 C ATOM 0 H ILE A 129 13.551 -17.580 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 129 12.612 -19.972 -7.466 1.00 0.00 H new ATOM 0 HB ILE A 129 11.274 -17.236 -7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 129 10.251 -19.750 -6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 129 11.196 -18.549 -5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 129 9.437 -18.438 -8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.950 -18.535 -9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.404 -19.932 -8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.802 -18.198 -4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.509 -16.825 -5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.549 -18.044 -6.656 1.00 0.00 H new ATOM 1557 N HIS A 130 13.169 -18.932 -9.765 1.00 0.00 N ATOM 1558 CA HIS A 130 13.821 -18.499 -10.995 1.00 0.00 C ATOM 1559 C HIS A 130 12.803 -18.325 -12.118 1.00 0.00 C ATOM 1560 O HIS A 130 11.904 -19.148 -12.287 1.00 0.00 O ATOM 1561 CB HIS A 130 14.892 -19.510 -11.412 1.00 0.00 C ATOM 1562 CG HIS A 130 16.199 -18.879 -11.779 1.00 0.00 C ATOM 1563 ND1 HIS A 130 16.494 -18.444 -13.055 1.00 0.00 N ATOM 1564 CD2 HIS A 130 17.295 -18.610 -11.030 1.00 0.00 C ATOM 1565 CE1 HIS A 130 17.714 -17.936 -13.074 1.00 0.00 C ATOM 1566 NE2 HIS A 130 18.220 -18.025 -11.858 1.00 0.00 N ATOM 0 H HIS A 130 12.531 -19.719 -9.880 1.00 0.00 H new ATOM 0 HA HIS A 130 14.295 -17.536 -10.807 1.00 0.00 H new ATOM 0 HB2 HIS A 130 15.054 -20.213 -10.595 1.00 0.00 H new ATOM 0 HB3 HIS A 130 14.525 -20.087 -12.261 1.00 0.00 H new ATOM 0 HD2 HIS A 130 17.418 -18.817 -9.977 1.00 0.00 H new ATOM 0 HE1 HIS A 130 18.212 -17.519 -13.937 1.00 0.00 H new ATOM 0 HE2 HIS A 130 19.149 -17.710 -11.579 1.00 0.00 H new ATOM 1575 N ALA A 131 12.951 -17.248 -12.882 1.00 0.00 N ATOM 1576 CA ALA A 131 12.044 -16.967 -13.988 1.00 0.00 C ATOM 1577 C ALA A 131 12.394 -17.806 -15.212 1.00 0.00 C ATOM 1578 O ALA A 131 13.558 -18.134 -15.439 1.00 0.00 O ATOM 1579 CB ALA A 131 12.077 -15.486 -14.333 1.00 0.00 C ATOM 0 H ALA A 131 13.690 -16.556 -12.756 1.00 0.00 H new ATOM 0 HA ALA A 131 11.035 -17.234 -13.675 1.00 0.00 H new ATOM 0 HB1 ALA A 131 11.395 -15.290 -15.161 1.00 0.00 H new ATOM 0 HB2 ALA A 131 11.771 -14.903 -13.464 1.00 0.00 H new ATOM 0 HB3 ALA A 131 13.089 -15.202 -14.622 1.00 0.00 H new ATOM 1585 N ASP A 132 11.379 -18.149 -15.998 1.00 0.00 N ATOM 1586 CA ASP A 132 11.580 -18.951 -17.200 1.00 0.00 C ATOM 1587 C ASP A 132 10.820 -18.360 -18.383 1.00 0.00 C ATOM 1588 O ASP A 132 9.736 -18.827 -18.734 1.00 0.00 O ATOM 1589 CB ASP A 132 11.129 -20.393 -16.958 1.00 0.00 C ATOM 1590 CG ASP A 132 11.997 -21.399 -17.687 1.00 0.00 C ATOM 1591 OD1 ASP A 132 12.256 -21.197 -18.892 1.00 0.00 O ATOM 1592 OD2 ASP A 132 12.418 -22.390 -17.054 1.00 0.00 O ATOM 0 H ASP A 132 10.409 -17.884 -15.825 1.00 0.00 H new ATOM 0 HA ASP A 132 12.644 -18.945 -17.436 1.00 0.00 H new ATOM 0 HB2 ASP A 132 11.153 -20.604 -15.889 1.00 0.00 H new ATOM 0 HB3 ASP A 132 10.095 -20.507 -17.282 1.00 0.00 H new ATOM 1597 N ILE A 133 11.397 -17.331 -18.996 1.00 0.00 N ATOM 1598 CA ILE A 133 10.774 -16.677 -20.141 1.00 0.00 C ATOM 1599 C ILE A 133 11.290 -17.256 -21.454 1.00 0.00 C ATOM 1600 O ILE A 133 10.610 -18.139 -22.018 1.00 0.00 O ATOM 1601 CB ILE A 133 11.030 -15.158 -20.130 1.00 0.00 C ATOM 1602 CG1 ILE A 133 10.719 -14.575 -18.750 1.00 0.00 C ATOM 1603 CG2 ILE A 133 10.195 -14.472 -21.202 1.00 0.00 C ATOM 1604 CD1 ILE A 133 11.932 -14.463 -17.853 1.00 0.00 C ATOM 0 H ILE A 133 12.294 -16.933 -18.719 1.00 0.00 H new ATOM 0 HA ILE A 133 9.702 -16.859 -20.062 1.00 0.00 H new ATOM 0 HB ILE A 133 12.083 -14.981 -20.349 1.00 0.00 H new ATOM 0 HG12 ILE A 133 10.276 -13.587 -18.874 1.00 0.00 H new ATOM 0 HG13 ILE A 133 9.972 -15.200 -18.261 1.00 0.00 H new ATOM 0 HG21 ILE A 133 10.387 -13.399 -21.182 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.462 -14.870 -22.181 1.00 0.00 H new ATOM 0 HG23 ILE A 133 9.137 -14.655 -21.012 1.00 0.00 H new ATOM 0 HD11 ILE A 133 11.636 -14.042 -16.892 1.00 0.00 H new ATOM 0 HD12 ILE A 133 12.363 -15.452 -17.699 1.00 0.00 H new ATOM 0 HD13 ILE A 133 12.672 -13.814 -18.321 1.00 0.00 H new TER 1616 ILE A 133