USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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 54 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-2.3!) USER MOD Set 1.2: A 69 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 32 THR OG1 : rot -112:sc= 0.00095 USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 0.00191 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 35 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.017) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.0988 F(o=-0.63,f=0.099) USER MOD Single : A 42 GLN : amide:sc= -0.26 K(o=-0.26,f=-0.98) USER MOD Single : A 46 SER OG : rot 83:sc= 1.13 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 174:sc= 0 USER MOD Single : A 59 SER OG : rot 71:sc= 0.322 USER MOD Single : A 60 GLN : amide:sc=-0.00946 X(o=-0.0095,f=-0.0095) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.428 F(o=-1.3,f=-0.43) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.61) USER MOD Single : A 76 THR OG1 : rot 69:sc= -1.3! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 79 THR OG1 : rot 14:sc= -2.95 USER MOD Single : A 82 MET CE :methyl 178:sc= -2.7! (180deg=-2.87!) USER MOD Single : A 85 MET CE :methyl 155:sc= -0.158 (180deg=-0.767) USER MOD Single : A 86 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.5!) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -2.15 F(o=-2.8,f=-2.1) USER MOD Single : A 103 HIS : no HE2:sc= -4.64! C(o=-4.6!,f=-8!) USER MOD Single : A 105 ASN : amide:sc= -6.89! C(o=-6.9!,f=-14!) USER MOD Single : A 109 MET CE :methyl -113:sc= -7.07! (180deg=-12.9!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 68:sc= 0.259 USER MOD Single : A 117 SER OG : rot 106:sc= -0.245 USER MOD Single : A 119 MET CE :methyl 156:sc= -0.91 (180deg=-3.09!) USER MOD Single : A 124 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.4!) USER MOD Single : A 125 HIS : no HD1:sc= -0.907 K(o=-0.91,f=-1.9!) USER MOD Single : A 127 MET CE :methyl -149:sc= -2 (180deg=-3.48!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.107 10.900 -7.176 1.00 0.00 N ATOM 44 CA THR A 32 -15.331 10.632 -6.427 1.00 0.00 C ATOM 45 C THR A 32 -15.023 9.932 -5.108 1.00 0.00 C ATOM 46 O THR A 32 -14.100 9.122 -5.024 1.00 0.00 O ATOM 47 CB THR A 32 -16.295 9.781 -7.258 1.00 0.00 C ATOM 48 OG1 THR A 32 -17.338 9.264 -6.447 1.00 0.00 O ATOM 49 CG2 THR A 32 -15.625 8.615 -7.955 1.00 0.00 C ATOM 0 HA THR A 32 -15.804 11.589 -6.207 1.00 0.00 H new ATOM 0 HB THR A 32 -16.687 10.455 -8.020 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.244 8.291 -6.373 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.367 8.056 -8.525 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.855 8.988 -8.630 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.170 7.960 -7.212 1.00 0.00 H new ATOM 57 N SER A 33 -15.807 10.248 -4.079 1.00 0.00 N ATOM 58 CA SER A 33 -15.623 9.648 -2.760 1.00 0.00 C ATOM 59 C SER A 33 -15.492 8.133 -2.868 1.00 0.00 C ATOM 60 O SER A 33 -14.673 7.518 -2.185 1.00 0.00 O ATOM 61 CB SER A 33 -16.796 10.007 -1.846 1.00 0.00 C ATOM 62 OG SER A 33 -17.978 10.228 -2.596 1.00 0.00 O ATOM 0 H SER A 33 -16.576 10.916 -4.134 1.00 0.00 H new ATOM 0 HA SER A 33 -14.703 10.045 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.962 9.203 -1.129 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.553 10.901 -1.272 1.00 0.00 H new ATOM 0 HG SER A 33 -18.713 10.454 -1.989 1.00 0.00 H new ATOM 68 N SER A 34 -16.299 7.540 -3.741 1.00 0.00 N ATOM 69 CA SER A 34 -16.269 6.098 -3.951 1.00 0.00 C ATOM 70 C SER A 34 -14.914 5.669 -4.499 1.00 0.00 C ATOM 71 O SER A 34 -14.445 4.564 -4.229 1.00 0.00 O ATOM 72 CB SER A 34 -17.381 5.677 -4.914 1.00 0.00 C ATOM 73 OG SER A 34 -17.009 5.921 -6.260 1.00 0.00 O ATOM 0 H SER A 34 -16.982 8.036 -4.314 1.00 0.00 H new ATOM 0 HA SER A 34 -16.430 5.607 -2.991 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.601 4.618 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.295 6.224 -4.681 1.00 0.00 H new ATOM 0 HG SER A 34 -17.735 5.642 -6.856 1.00 0.00 H new ATOM 79 N GLN A 35 -14.286 6.554 -5.270 1.00 0.00 N ATOM 80 CA GLN A 35 -12.981 6.267 -5.853 1.00 0.00 C ATOM 81 C GLN A 35 -11.886 6.343 -4.795 1.00 0.00 C ATOM 82 O GLN A 35 -10.925 5.575 -4.828 1.00 0.00 O ATOM 83 CB GLN A 35 -12.682 7.240 -6.994 1.00 0.00 C ATOM 84 CG GLN A 35 -11.277 7.110 -7.564 1.00 0.00 C ATOM 85 CD GLN A 35 -11.275 6.747 -9.036 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.592 5.813 -9.456 1.00 0.00 O ATOM 87 NE2 GLN A 35 -12.042 7.486 -9.828 1.00 0.00 N ATOM 0 H GLN A 35 -14.660 7.474 -5.504 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.002 5.253 -6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.404 7.079 -7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.825 8.259 -6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.744 8.051 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.731 6.349 -7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.592 8.251 -9.437 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.082 7.289 -10.828 1.00 0.00 H new ATOM 96 N LEU A 36 -12.040 7.266 -3.849 1.00 0.00 N ATOM 97 CA LEU A 36 -11.063 7.426 -2.778 1.00 0.00 C ATOM 98 C LEU A 36 -10.819 6.090 -2.088 1.00 0.00 C ATOM 99 O LEU A 36 -9.676 5.668 -1.903 1.00 0.00 O ATOM 100 CB LEU A 36 -11.551 8.459 -1.759 1.00 0.00 C ATOM 101 CG LEU A 36 -11.293 9.919 -2.136 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.800 10.206 -2.177 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.938 10.249 -3.473 1.00 0.00 C ATOM 0 H LEU A 36 -12.829 7.911 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.127 7.778 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.622 8.322 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.070 8.257 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.743 10.554 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.637 11.249 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.365 10.013 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.326 9.562 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.743 11.292 -3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.520 9.606 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.014 10.086 -3.408 1.00 0.00 H new ATOM 115 N LEU A 37 -11.907 5.422 -1.723 1.00 0.00 N ATOM 116 CA LEU A 37 -11.823 4.125 -1.067 1.00 0.00 C ATOM 117 C LEU A 37 -11.601 3.017 -2.094 1.00 0.00 C ATOM 118 O LEU A 37 -11.056 1.962 -1.771 1.00 0.00 O ATOM 119 CB LEU A 37 -13.095 3.851 -0.262 1.00 0.00 C ATOM 120 CG LEU A 37 -14.366 3.676 -1.097 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.769 2.210 -1.160 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.499 4.518 -0.530 1.00 0.00 C ATOM 0 H LEU A 37 -12.858 5.759 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.973 4.141 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.943 2.951 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.248 4.673 0.437 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.159 4.018 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.675 2.107 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.966 1.631 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.956 1.840 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.394 4.380 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.705 4.209 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.212 5.569 -0.541 1.00 0.00 H new ATOM 134 N SER A 38 -12.021 3.261 -3.336 1.00 0.00 N ATOM 135 CA SER A 38 -11.858 2.276 -4.400 1.00 0.00 C ATOM 136 C SER A 38 -10.386 1.926 -4.589 1.00 0.00 C ATOM 137 O SER A 38 -10.039 0.773 -4.847 1.00 0.00 O ATOM 138 CB SER A 38 -12.439 2.805 -5.712 1.00 0.00 C ATOM 139 OG SER A 38 -12.403 1.812 -6.723 1.00 0.00 O ATOM 0 H SER A 38 -12.474 4.128 -3.627 1.00 0.00 H new ATOM 0 HA SER A 38 -12.398 1.374 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.467 3.130 -5.553 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.875 3.680 -6.037 1.00 0.00 H new ATOM 0 HG SER A 38 -12.781 2.174 -7.551 1.00 0.00 H new ATOM 145 N VAL A 39 -9.525 2.929 -4.457 1.00 0.00 N ATOM 146 CA VAL A 39 -8.091 2.728 -4.612 1.00 0.00 C ATOM 147 C VAL A 39 -7.471 2.176 -3.333 1.00 0.00 C ATOM 148 O VAL A 39 -6.544 1.369 -3.382 1.00 0.00 O ATOM 149 CB VAL A 39 -7.377 4.037 -4.998 1.00 0.00 C ATOM 150 CG1 VAL A 39 -5.903 3.782 -5.278 1.00 0.00 C ATOM 151 CG2 VAL A 39 -8.051 4.678 -6.202 1.00 0.00 C ATOM 0 H VAL A 39 -9.796 3.889 -4.243 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.959 2.004 -5.416 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.449 4.728 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.417 4.719 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.429 3.372 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.806 3.072 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.533 5.602 -6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.013 3.992 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.091 4.900 -5.961 1.00 0.00 H new ATOM 161 N ARG A 40 -7.986 2.610 -2.185 1.00 0.00 N ATOM 162 CA ARG A 40 -7.470 2.141 -0.904 1.00 0.00 C ATOM 163 C ARG A 40 -7.787 0.659 -0.708 1.00 0.00 C ATOM 164 O ARG A 40 -7.088 -0.043 0.023 1.00 0.00 O ATOM 165 CB ARG A 40 -8.040 2.982 0.251 1.00 0.00 C ATOM 166 CG ARG A 40 -8.189 2.227 1.565 1.00 0.00 C ATOM 167 CD ARG A 40 -9.549 1.555 1.673 1.00 0.00 C ATOM 168 NE ARG A 40 -9.577 0.546 2.730 1.00 0.00 N ATOM 169 CZ ARG A 40 -9.593 0.833 4.029 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.586 2.096 4.437 1.00 0.00 N ATOM 171 NH2 ARG A 40 -9.617 -0.145 4.924 1.00 0.00 N ATOM 0 H ARG A 40 -8.753 3.279 -2.116 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.386 2.259 -0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.391 3.843 0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.015 3.369 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.404 1.475 1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.056 2.916 2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.311 2.309 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.800 1.089 0.720 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.585 -0.436 2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.568 2.853 3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.598 2.310 5.434 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.623 -1.118 4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.629 0.075 5.920 1.00 0.00 H new ATOM 185 N HIS A 41 -8.840 0.190 -1.369 1.00 0.00 N ATOM 186 CA HIS A 41 -9.242 -1.207 -1.270 1.00 0.00 C ATOM 187 C HIS A 41 -8.350 -2.088 -2.140 1.00 0.00 C ATOM 188 O HIS A 41 -8.003 -3.207 -1.759 1.00 0.00 O ATOM 189 CB HIS A 41 -10.705 -1.368 -1.690 1.00 0.00 C ATOM 190 CG HIS A 41 -11.675 -1.253 -0.554 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.132 -0.168 0.117 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.299 -2.343 0.016 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.015 -0.619 1.067 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.099 -1.933 0.985 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.430 0.757 -1.978 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.133 -1.521 -0.232 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.944 -0.612 -2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.832 -2.340 -2.167 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -11.869 0.803 -0.052 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.156 -3.371 -0.283 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.554 0.002 1.768 1.00 0.00 H new ATOM 203 N GLN A 42 -7.985 -1.576 -3.313 1.00 0.00 N ATOM 204 CA GLN A 42 -7.138 -2.317 -4.242 1.00 0.00 C ATOM 205 C GLN A 42 -5.668 -2.247 -3.828 1.00 0.00 C ATOM 206 O GLN A 42 -4.897 -3.172 -4.086 1.00 0.00 O ATOM 207 CB GLN A 42 -7.315 -1.776 -5.667 1.00 0.00 C ATOM 208 CG GLN A 42 -6.504 -0.521 -5.962 1.00 0.00 C ATOM 209 CD GLN A 42 -5.238 -0.817 -6.741 1.00 0.00 C ATOM 210 OE1 GLN A 42 -5.226 -1.667 -7.632 1.00 0.00 O ATOM 211 NE2 GLN A 42 -4.161 -0.114 -6.408 1.00 0.00 N ATOM 0 H GLN A 42 -8.263 -0.651 -3.642 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.445 -3.363 -4.217 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.032 -2.553 -6.377 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.370 -1.561 -5.834 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.118 0.180 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.243 -0.032 -5.023 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.216 0.581 -5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.279 -0.269 -6.897 1.00 0.00 H new ATOM 220 N LEU A 43 -5.286 -1.146 -3.189 1.00 0.00 N ATOM 221 CA LEU A 43 -3.909 -0.960 -2.747 1.00 0.00 C ATOM 222 C LEU A 43 -3.625 -1.788 -1.498 1.00 0.00 C ATOM 223 O LEU A 43 -2.847 -2.741 -1.539 1.00 0.00 O ATOM 224 CB LEU A 43 -3.639 0.524 -2.470 1.00 0.00 C ATOM 225 CG LEU A 43 -2.167 0.965 -2.485 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.612 1.010 -1.072 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.318 0.050 -3.360 1.00 0.00 C ATOM 0 H LEU A 43 -5.910 -0.370 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.245 -1.299 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.180 1.114 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.060 0.772 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.126 1.967 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.569 1.324 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.188 1.719 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.680 0.019 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.283 0.392 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.368 -0.969 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.695 0.072 -4.383 1.00 0.00 H new ATOM 239 N ALA A 44 -4.262 -1.418 -0.388 1.00 0.00 N ATOM 240 CA ALA A 44 -4.081 -2.127 0.877 1.00 0.00 C ATOM 241 C ALA A 44 -4.135 -3.640 0.685 1.00 0.00 C ATOM 242 O ALA A 44 -3.321 -4.376 1.243 1.00 0.00 O ATOM 243 CB ALA A 44 -5.138 -1.688 1.880 1.00 0.00 C ATOM 0 H ALA A 44 -4.909 -0.631 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.093 -1.875 1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.993 -2.223 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.050 -0.616 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.129 -1.910 1.485 1.00 0.00 H new ATOM 249 N GLU A 45 -5.098 -4.098 -0.109 1.00 0.00 N ATOM 250 CA GLU A 45 -5.257 -5.524 -0.375 1.00 0.00 C ATOM 251 C GLU A 45 -3.973 -6.118 -0.947 1.00 0.00 C ATOM 252 O GLU A 45 -3.533 -7.189 -0.531 1.00 0.00 O ATOM 253 CB GLU A 45 -6.414 -5.756 -1.348 1.00 0.00 C ATOM 254 CG GLU A 45 -7.766 -5.887 -0.666 1.00 0.00 C ATOM 255 CD GLU A 45 -8.895 -6.125 -1.650 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.974 -5.386 -2.653 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.700 -7.051 -1.417 1.00 0.00 O ATOM 0 H GLU A 45 -5.780 -3.503 -0.579 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.478 -6.021 0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.453 -4.929 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.218 -6.661 -1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.731 -6.711 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.971 -4.981 -0.096 1.00 0.00 H new ATOM 264 N SER A 46 -3.379 -5.413 -1.904 1.00 0.00 N ATOM 265 CA SER A 46 -2.146 -5.868 -2.536 1.00 0.00 C ATOM 266 C SER A 46 -0.950 -5.682 -1.606 1.00 0.00 C ATOM 267 O SER A 46 0.068 -6.361 -1.747 1.00 0.00 O ATOM 268 CB SER A 46 -1.911 -5.112 -3.844 1.00 0.00 C ATOM 269 OG SER A 46 -3.085 -5.089 -4.638 1.00 0.00 O ATOM 0 H SER A 46 -3.732 -4.524 -2.259 1.00 0.00 H new ATOM 0 HA SER A 46 -2.251 -6.932 -2.750 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.595 -4.092 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.101 -5.584 -4.400 1.00 0.00 H new ATOM 0 HG SER A 46 -3.671 -4.365 -4.334 1.00 0.00 H new ATOM 275 N ALA A 47 -1.076 -4.760 -0.656 1.00 0.00 N ATOM 276 CA ALA A 47 -0.003 -4.491 0.292 1.00 0.00 C ATOM 277 C ALA A 47 0.050 -5.560 1.378 1.00 0.00 C ATOM 278 O ALA A 47 -0.592 -6.604 1.265 1.00 0.00 O ATOM 279 CB ALA A 47 -0.181 -3.111 0.914 1.00 0.00 C ATOM 0 H ALA A 47 -1.910 -4.188 -0.523 1.00 0.00 H new ATOM 0 HA ALA A 47 0.942 -4.514 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.628 -2.923 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.162 -2.354 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.137 -3.068 1.437 1.00 0.00 H new ATOM 285 N GLY A 48 0.819 -5.279 2.429 1.00 0.00 N ATOM 286 CA GLY A 48 0.970 -6.201 3.551 1.00 0.00 C ATOM 287 C GLY A 48 0.925 -7.668 3.155 1.00 0.00 C ATOM 288 O GLY A 48 -0.151 -8.235 2.961 1.00 0.00 O ATOM 0 H GLY A 48 1.350 -4.414 2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.918 -5.999 4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.180 -6.007 4.277 1.00 0.00 H new ATOM 292 N LEU A 49 2.099 -8.285 3.047 1.00 0.00 N ATOM 293 CA LEU A 49 2.198 -9.696 2.681 1.00 0.00 C ATOM 294 C LEU A 49 1.277 -10.554 3.547 1.00 0.00 C ATOM 295 O LEU A 49 1.012 -10.222 4.703 1.00 0.00 O ATOM 296 CB LEU A 49 3.643 -10.181 2.822 1.00 0.00 C ATOM 297 CG LEU A 49 4.689 -9.337 2.090 1.00 0.00 C ATOM 298 CD1 LEU A 49 6.086 -9.886 2.335 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.388 -9.292 0.599 1.00 0.00 C ATOM 0 H LEU A 49 2.997 -7.829 3.208 1.00 0.00 H new ATOM 0 HA LEU A 49 1.885 -9.796 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.898 -10.208 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.703 -11.205 2.453 1.00 0.00 H new ATOM 0 HG LEU A 49 4.646 -8.321 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.816 -9.273 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.302 -9.867 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.143 -10.912 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.141 -8.688 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.403 -10.304 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.404 -8.852 0.440 1.00 0.00 H new ATOM 311 N PRO A 50 0.775 -11.674 2.998 1.00 0.00 N ATOM 312 CA PRO A 50 -0.121 -12.578 3.727 1.00 0.00 C ATOM 313 C PRO A 50 0.532 -13.162 4.979 1.00 0.00 C ATOM 314 O PRO A 50 0.279 -12.699 6.091 1.00 0.00 O ATOM 315 CB PRO A 50 -0.436 -13.683 2.710 1.00 0.00 C ATOM 316 CG PRO A 50 0.637 -13.589 1.679 1.00 0.00 C ATOM 317 CD PRO A 50 1.038 -12.143 1.627 1.00 0.00 C ATOM 0 HA PRO A 50 -1.009 -12.060 4.090 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.440 -14.664 3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.421 -13.539 2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.486 -14.220 1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.276 -13.929 0.708 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.087 -12.025 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.454 -11.589 0.892 1.00 0.00 H new ATOM 325 N ARG A 51 1.371 -14.180 4.797 1.00 0.00 N ATOM 326 CA ARG A 51 2.050 -14.817 5.920 1.00 0.00 C ATOM 327 C ARG A 51 3.425 -15.334 5.505 1.00 0.00 C ATOM 328 O ARG A 51 4.452 -14.808 5.932 1.00 0.00 O ATOM 329 CB ARG A 51 1.202 -15.966 6.470 1.00 0.00 C ATOM 330 CG ARG A 51 0.521 -15.640 7.790 1.00 0.00 C ATOM 331 CD ARG A 51 -0.986 -15.507 7.629 1.00 0.00 C ATOM 332 NE ARG A 51 -1.706 -16.568 8.329 1.00 0.00 N ATOM 333 CZ ARG A 51 -3.031 -16.612 8.446 1.00 0.00 C ATOM 334 NH1 ARG A 51 -3.784 -15.658 7.911 1.00 0.00 N ATOM 335 NH2 ARG A 51 -3.606 -17.613 9.099 1.00 0.00 N ATOM 0 H ARG A 51 1.595 -14.579 3.886 1.00 0.00 H new ATOM 0 HA ARG A 51 2.186 -14.069 6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.443 -16.231 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.836 -16.843 6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.742 -16.422 8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.928 -14.711 8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.307 -14.538 8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.241 -15.533 6.570 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.161 -17.319 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.347 -14.886 7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.799 -15.697 8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.033 -18.349 9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.621 -17.647 9.189 1.00 0.00 H new ATOM 349 N ASP A 52 3.435 -16.371 4.672 1.00 0.00 N ATOM 350 CA ASP A 52 4.682 -16.965 4.200 1.00 0.00 C ATOM 351 C ASP A 52 5.588 -15.910 3.572 1.00 0.00 C ATOM 352 O ASP A 52 6.804 -15.929 3.763 1.00 0.00 O ATOM 353 CB ASP A 52 4.392 -18.072 3.185 1.00 0.00 C ATOM 354 CG ASP A 52 3.588 -19.209 3.784 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.038 -19.786 4.796 1.00 0.00 O ATOM 356 OD2 ASP A 52 2.508 -19.523 3.241 1.00 0.00 O ATOM 0 H ASP A 52 2.593 -16.818 4.310 1.00 0.00 H new ATOM 0 HA ASP A 52 5.197 -17.394 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.848 -17.652 2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.333 -18.461 2.797 1.00 0.00 H new ATOM 361 N GLN A 53 4.987 -14.993 2.822 1.00 0.00 N ATOM 362 CA GLN A 53 5.740 -13.930 2.166 1.00 0.00 C ATOM 363 C GLN A 53 6.438 -13.044 3.194 1.00 0.00 C ATOM 364 O GLN A 53 7.481 -12.453 2.912 1.00 0.00 O ATOM 365 CB GLN A 53 4.813 -13.087 1.288 1.00 0.00 C ATOM 366 CG GLN A 53 4.818 -13.500 -0.175 1.00 0.00 C ATOM 367 CD GLN A 53 3.546 -14.218 -0.584 1.00 0.00 C ATOM 368 OE1 GLN A 53 3.315 -15.364 -0.199 1.00 0.00 O ATOM 369 NE2 GLN A 53 2.713 -13.545 -1.369 1.00 0.00 N ATOM 0 H GLN A 53 3.981 -14.964 2.653 1.00 0.00 H new ATOM 0 HA GLN A 53 6.501 -14.391 1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.796 -13.159 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.108 -12.040 1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.947 -12.615 -0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.673 -14.149 -0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.945 -12.597 -1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.841 -13.976 -1.677 1.00 0.00 H new ATOM 378 N HIS A 54 5.858 -12.956 4.388 1.00 0.00 N ATOM 379 CA HIS A 54 6.427 -12.141 5.455 1.00 0.00 C ATOM 380 C HIS A 54 7.529 -12.899 6.191 1.00 0.00 C ATOM 381 O HIS A 54 8.595 -12.350 6.468 1.00 0.00 O ATOM 382 CB HIS A 54 5.336 -11.716 6.442 1.00 0.00 C ATOM 383 CG HIS A 54 5.855 -10.927 7.606 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.711 -11.454 8.550 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.640 -9.641 7.973 1.00 0.00 C ATOM 386 CE1 HIS A 54 7.000 -10.528 9.446 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.363 -9.419 9.119 1.00 0.00 N ATOM 0 H HIS A 54 4.995 -13.439 4.640 1.00 0.00 H new ATOM 0 HA HIS A 54 6.863 -11.250 5.003 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.591 -11.121 5.913 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.828 -12.606 6.814 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.016 -8.924 7.460 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.647 -10.656 10.301 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.402 -8.540 9.634 1.00 0.00 H new ATOM 396 N GLU A 55 7.260 -14.162 6.508 1.00 0.00 N ATOM 397 CA GLU A 55 8.224 -15.000 7.217 1.00 0.00 C ATOM 398 C GLU A 55 9.589 -14.979 6.533 1.00 0.00 C ATOM 399 O GLU A 55 10.616 -15.203 7.173 1.00 0.00 O ATOM 400 CB GLU A 55 7.710 -16.437 7.307 1.00 0.00 C ATOM 401 CG GLU A 55 6.823 -16.692 8.515 1.00 0.00 C ATOM 402 CD GLU A 55 5.495 -15.965 8.427 1.00 0.00 C ATOM 403 OE1 GLU A 55 5.457 -14.757 8.741 1.00 0.00 O ATOM 404 OE2 GLU A 55 4.493 -16.604 8.043 1.00 0.00 O ATOM 0 H GLU A 55 6.381 -14.629 6.285 1.00 0.00 H new ATOM 0 HA GLU A 55 8.341 -14.595 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.152 -16.672 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.561 -17.117 7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.641 -17.763 8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.346 -16.378 9.418 1.00 0.00 H new ATOM 411 N PHE A 56 9.595 -14.713 5.231 1.00 0.00 N ATOM 412 CA PHE A 56 10.836 -14.668 4.467 1.00 0.00 C ATOM 413 C PHE A 56 11.489 -13.290 4.566 1.00 0.00 C ATOM 414 O PHE A 56 12.632 -13.163 5.000 1.00 0.00 O ATOM 415 CB PHE A 56 10.564 -15.028 2.998 1.00 0.00 C ATOM 416 CG PHE A 56 11.559 -14.456 2.022 1.00 0.00 C ATOM 417 CD1 PHE A 56 12.897 -14.812 2.082 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.153 -13.559 1.047 1.00 0.00 C ATOM 419 CE1 PHE A 56 13.810 -14.285 1.189 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.062 -13.029 0.151 1.00 0.00 C ATOM 421 CZ PHE A 56 13.392 -13.393 0.222 1.00 0.00 C ATOM 0 H PHE A 56 8.755 -14.526 4.683 1.00 0.00 H new ATOM 0 HA PHE A 56 11.526 -15.399 4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.558 -16.113 2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.567 -14.678 2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.230 -15.510 2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.114 -13.271 0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.850 -14.571 1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.732 -12.331 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.104 -12.981 -0.478 1.00 0.00 H new ATOM 431 N VAL A 57 10.757 -12.266 4.146 1.00 0.00 N ATOM 432 CA VAL A 57 11.261 -10.896 4.164 1.00 0.00 C ATOM 433 C VAL A 57 11.603 -10.410 5.575 1.00 0.00 C ATOM 434 O VAL A 57 12.233 -9.365 5.734 1.00 0.00 O ATOM 435 CB VAL A 57 10.240 -9.925 3.538 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.963 -9.884 4.364 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.837 -8.532 3.396 1.00 0.00 C ATOM 0 H VAL A 57 9.807 -12.358 3.787 1.00 0.00 H new ATOM 0 HA VAL A 57 12.178 -10.906 3.575 1.00 0.00 H new ATOM 0 HB VAL A 57 9.990 -10.289 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.255 -9.193 3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.523 -10.881 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.194 -9.549 5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.099 -7.863 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.122 -8.157 4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.718 -8.577 2.755 1.00 0.00 H new ATOM 447 N SER A 58 11.178 -11.149 6.597 1.00 0.00 N ATOM 448 CA SER A 58 11.444 -10.745 7.976 1.00 0.00 C ATOM 449 C SER A 58 12.313 -11.757 8.720 1.00 0.00 C ATOM 450 O SER A 58 13.156 -11.377 9.533 1.00 0.00 O ATOM 451 CB SER A 58 10.126 -10.546 8.727 1.00 0.00 C ATOM 452 OG SER A 58 10.282 -9.629 9.796 1.00 0.00 O ATOM 0 H SER A 58 10.655 -12.019 6.500 1.00 0.00 H new ATOM 0 HA SER A 58 11.995 -9.805 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.363 -10.181 8.039 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.776 -11.503 9.113 1.00 0.00 H new ATOM 0 HG SER A 58 9.409 -9.450 10.204 1.00 0.00 H new ATOM 458 N SER A 59 12.094 -13.042 8.463 1.00 0.00 N ATOM 459 CA SER A 59 12.854 -14.089 9.141 1.00 0.00 C ATOM 460 C SER A 59 13.978 -14.648 8.269 1.00 0.00 C ATOM 461 O SER A 59 14.814 -15.414 8.750 1.00 0.00 O ATOM 462 CB SER A 59 11.920 -15.223 9.567 1.00 0.00 C ATOM 463 OG SER A 59 10.587 -14.763 9.703 1.00 0.00 O ATOM 0 H SER A 59 11.402 -13.383 7.796 1.00 0.00 H new ATOM 0 HA SER A 59 13.313 -13.636 10.019 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.958 -16.025 8.830 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.261 -15.643 10.513 1.00 0.00 H new ATOM 0 HG SER A 59 10.216 -14.569 8.817 1.00 0.00 H new ATOM 469 N GLN A 60 13.998 -14.282 6.991 1.00 0.00 N ATOM 470 CA GLN A 60 15.027 -14.779 6.083 1.00 0.00 C ATOM 471 C GLN A 60 15.791 -13.641 5.412 1.00 0.00 C ATOM 472 O GLN A 60 16.981 -13.451 5.660 1.00 0.00 O ATOM 473 CB GLN A 60 14.396 -15.676 5.019 1.00 0.00 C ATOM 474 CG GLN A 60 14.136 -17.095 5.497 1.00 0.00 C ATOM 475 CD GLN A 60 15.398 -17.934 5.539 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.933 -18.219 6.610 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.881 -18.334 4.368 1.00 0.00 N ATOM 0 H GLN A 60 13.321 -13.650 6.564 1.00 0.00 H new ATOM 0 HA GLN A 60 15.739 -15.354 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.455 -15.233 4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.051 -15.709 4.148 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.691 -17.064 6.492 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.410 -17.570 4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.405 -18.074 3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.728 -18.901 4.333 1.00 0.00 H new ATOM 486 N ALA A 61 15.099 -12.899 4.550 1.00 0.00 N ATOM 487 CA ALA A 61 15.701 -11.783 3.820 1.00 0.00 C ATOM 488 C ALA A 61 16.669 -10.980 4.690 1.00 0.00 C ATOM 489 O ALA A 61 16.510 -10.907 5.909 1.00 0.00 O ATOM 490 CB ALA A 61 14.614 -10.877 3.265 1.00 0.00 C ATOM 0 H ALA A 61 14.113 -13.052 4.338 1.00 0.00 H new ATOM 0 HA ALA A 61 16.279 -12.203 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.072 -10.049 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.977 -11.446 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.013 -10.485 4.085 1.00 0.00 H new ATOM 496 N PRO A 62 17.691 -10.367 4.066 1.00 0.00 N ATOM 497 CA PRO A 62 18.694 -9.567 4.779 1.00 0.00 C ATOM 498 C PRO A 62 18.118 -8.269 5.334 1.00 0.00 C ATOM 499 O PRO A 62 17.072 -7.799 4.886 1.00 0.00 O ATOM 500 CB PRO A 62 19.742 -9.268 3.705 1.00 0.00 C ATOM 501 CG PRO A 62 18.997 -9.348 2.418 1.00 0.00 C ATOM 502 CD PRO A 62 17.950 -10.408 2.614 1.00 0.00 C ATOM 0 HA PRO A 62 19.090 -10.095 5.646 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.184 -8.282 3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.558 -9.990 3.736 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.541 -8.389 2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.664 -9.605 1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.049 -10.194 2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.306 -11.388 2.297 1.00 0.00 H new ATOM 510 N GLN A 63 18.811 -7.693 6.313 1.00 0.00 N ATOM 511 CA GLN A 63 18.375 -6.445 6.935 1.00 0.00 C ATOM 512 C GLN A 63 18.051 -5.389 5.882 1.00 0.00 C ATOM 513 O GLN A 63 17.090 -4.633 6.022 1.00 0.00 O ATOM 514 CB GLN A 63 19.455 -5.921 7.882 1.00 0.00 C ATOM 515 CG GLN A 63 18.939 -4.908 8.892 1.00 0.00 C ATOM 516 CD GLN A 63 19.286 -5.279 10.321 1.00 0.00 C ATOM 517 OE1 GLN A 63 18.480 -5.877 11.033 1.00 0.00 O ATOM 518 NE2 GLN A 63 20.493 -4.924 10.748 1.00 0.00 N ATOM 0 H GLN A 63 19.679 -8.071 6.694 1.00 0.00 H new ATOM 0 HA GLN A 63 17.468 -6.652 7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.897 -6.762 8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.251 -5.463 7.294 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.357 -3.928 8.664 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.857 -4.823 8.795 1.00 0.00 H new ATOM 0 HE21 GLN A 63 21.130 -4.429 10.123 1.00 0.00 H new ATOM 0 HE22 GLN A 63 20.783 -5.146 11.700 1.00 0.00 H new ATOM 527 N SER A 64 18.858 -5.345 4.826 1.00 0.00 N ATOM 528 CA SER A 64 18.655 -4.383 3.749 1.00 0.00 C ATOM 529 C SER A 64 17.266 -4.538 3.137 1.00 0.00 C ATOM 530 O SER A 64 16.608 -3.551 2.806 1.00 0.00 O ATOM 531 CB SER A 64 19.723 -4.561 2.669 1.00 0.00 C ATOM 532 OG SER A 64 20.958 -3.994 3.072 1.00 0.00 O ATOM 0 H SER A 64 19.658 -5.964 4.694 1.00 0.00 H new ATOM 0 HA SER A 64 18.738 -3.381 4.170 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.858 -5.622 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.389 -4.092 1.743 1.00 0.00 H new ATOM 0 HG SER A 64 21.624 -4.123 2.364 1.00 0.00 H new ATOM 538 N LEU A 65 16.826 -5.783 2.993 1.00 0.00 N ATOM 539 CA LEU A 65 15.515 -6.070 2.425 1.00 0.00 C ATOM 540 C LEU A 65 14.408 -5.737 3.420 1.00 0.00 C ATOM 541 O LEU A 65 13.332 -5.279 3.037 1.00 0.00 O ATOM 542 CB LEU A 65 15.424 -7.541 2.015 1.00 0.00 C ATOM 543 CG LEU A 65 14.591 -7.815 0.762 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.177 -7.281 0.935 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.250 -7.197 -0.462 1.00 0.00 C ATOM 0 H LEU A 65 17.359 -6.610 3.262 1.00 0.00 H new ATOM 0 HA LEU A 65 15.384 -5.446 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.433 -7.920 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.001 -8.108 2.845 1.00 0.00 H new ATOM 0 HG LEU A 65 14.535 -8.893 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.598 -7.485 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.705 -7.770 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.213 -6.205 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.644 -7.402 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.337 -6.119 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.243 -7.626 -0.596 1.00 0.00 H new ATOM 557 N ARG A 66 14.681 -5.970 4.700 1.00 0.00 N ATOM 558 CA ARG A 66 13.708 -5.694 5.751 1.00 0.00 C ATOM 559 C ARG A 66 13.514 -4.192 5.931 1.00 0.00 C ATOM 560 O ARG A 66 12.418 -3.730 6.246 1.00 0.00 O ATOM 561 CB ARG A 66 14.157 -6.322 7.072 1.00 0.00 C ATOM 562 CG ARG A 66 14.475 -7.806 6.965 1.00 0.00 C ATOM 563 CD ARG A 66 15.592 -8.208 7.915 1.00 0.00 C ATOM 564 NE ARG A 66 15.173 -9.258 8.841 1.00 0.00 N ATOM 565 CZ ARG A 66 16.017 -9.966 9.588 1.00 0.00 C ATOM 566 NH1 ARG A 66 17.324 -9.742 9.519 1.00 0.00 N ATOM 567 NH2 ARG A 66 15.554 -10.900 10.407 1.00 0.00 N ATOM 0 H ARG A 66 15.567 -6.349 5.034 1.00 0.00 H new ATOM 0 HA ARG A 66 12.756 -6.134 5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.040 -5.795 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.374 -6.180 7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.580 -8.388 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.764 -8.044 5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.450 -8.554 7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.918 -7.335 8.481 1.00 0.00 H new ATOM 0 HE ARG A 66 14.176 -9.460 8.919 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.686 -9.024 8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.966 -10.288 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.551 -11.076 10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.201 -11.443 10.979 1.00 0.00 H new ATOM 581 N ASN A 67 14.587 -3.434 5.728 1.00 0.00 N ATOM 582 CA ASN A 67 14.536 -1.984 5.867 1.00 0.00 C ATOM 583 C ASN A 67 13.569 -1.375 4.858 1.00 0.00 C ATOM 584 O ASN A 67 12.737 -0.537 5.208 1.00 0.00 O ATOM 585 CB ASN A 67 15.931 -1.383 5.681 1.00 0.00 C ATOM 586 CG ASN A 67 16.788 -1.515 6.925 1.00 0.00 C ATOM 587 OD1 ASN A 67 17.859 -2.293 6.826 1.00 0.00 O flip ATOM 588 ND2 ASN A 67 16.490 -0.925 7.964 1.00 0.00 N flip ATOM 0 H ASN A 67 15.502 -3.801 5.467 1.00 0.00 H new ATOM 0 HA ASN A 67 14.179 -1.753 6.871 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.428 -1.877 4.846 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.838 -0.329 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.657 -0.337 7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.076 -1.024 8.793 1.00 0.00 H new ATOM 595 N ARG A 68 13.682 -1.801 3.604 1.00 0.00 N ATOM 596 CA ARG A 68 12.816 -1.297 2.545 1.00 0.00 C ATOM 597 C ARG A 68 11.391 -1.819 2.710 1.00 0.00 C ATOM 598 O ARG A 68 10.432 -1.181 2.277 1.00 0.00 O ATOM 599 CB ARG A 68 13.364 -1.698 1.173 1.00 0.00 C ATOM 600 CG ARG A 68 13.332 -3.197 0.918 1.00 0.00 C ATOM 601 CD ARG A 68 13.769 -3.534 -0.500 1.00 0.00 C ATOM 602 NE ARG A 68 12.776 -4.345 -1.201 1.00 0.00 N ATOM 603 CZ ARG A 68 11.697 -3.845 -1.800 1.00 0.00 C ATOM 604 NH1 ARG A 68 11.466 -2.538 -1.785 1.00 0.00 N ATOM 605 NH2 ARG A 68 10.847 -4.655 -2.416 1.00 0.00 N ATOM 0 H ARG A 68 14.365 -2.494 3.297 1.00 0.00 H new ATOM 0 HA ARG A 68 12.795 -0.210 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.786 -1.194 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.391 -1.345 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.985 -3.702 1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.323 -3.574 1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.941 -2.612 -1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.718 -4.069 -0.469 1.00 0.00 H new ATOM 0 HE ARG A 68 12.918 -5.355 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.117 -1.910 -1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.638 -2.161 -2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.020 -5.660 -2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.020 -4.273 -2.875 1.00 0.00 H new ATOM 619 N TYR A 69 11.260 -2.984 3.338 1.00 0.00 N ATOM 620 CA TYR A 69 9.953 -3.594 3.561 1.00 0.00 C ATOM 621 C TYR A 69 9.011 -2.629 4.277 1.00 0.00 C ATOM 622 O TYR A 69 8.065 -2.113 3.682 1.00 0.00 O ATOM 623 CB TYR A 69 10.102 -4.881 4.376 1.00 0.00 C ATOM 624 CG TYR A 69 8.788 -5.566 4.679 1.00 0.00 C ATOM 625 CD1 TYR A 69 8.064 -6.195 3.675 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.273 -5.582 5.968 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.863 -6.822 3.948 1.00 0.00 C ATOM 628 CE2 TYR A 69 7.073 -6.206 6.249 1.00 0.00 C ATOM 629 CZ TYR A 69 6.372 -6.824 5.236 1.00 0.00 C ATOM 630 OH TYR A 69 5.176 -7.447 5.512 1.00 0.00 O ATOM 0 H TYR A 69 12.044 -3.525 3.702 1.00 0.00 H new ATOM 0 HA TYR A 69 9.522 -3.834 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.745 -5.573 3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.606 -4.650 5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.445 -6.194 2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.820 -5.099 6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.312 -7.308 3.156 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.686 -6.210 7.257 1.00 0.00 H new ATOM 0 HH TYR A 69 5.046 -8.195 4.892 1.00 0.00 H new ATOM 640 N ASN A 70 9.276 -2.392 5.557 1.00 0.00 N ATOM 641 CA ASN A 70 8.452 -1.490 6.354 1.00 0.00 C ATOM 642 C ASN A 70 8.431 -0.088 5.750 1.00 0.00 C ATOM 643 O ASN A 70 7.498 0.682 5.978 1.00 0.00 O ATOM 644 CB ASN A 70 8.972 -1.428 7.792 1.00 0.00 C ATOM 645 CG ASN A 70 7.852 -1.305 8.807 1.00 0.00 C ATOM 646 OD1 ASN A 70 6.991 -0.432 8.696 1.00 0.00 O ATOM 647 ND2 ASN A 70 7.859 -2.181 9.805 1.00 0.00 N ATOM 0 H ASN A 70 10.055 -2.812 6.065 1.00 0.00 H new ATOM 0 HA ASN A 70 7.434 -1.879 6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.554 -2.325 8.004 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.647 -0.578 7.895 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.131 -2.147 10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.592 -2.888 9.858 1.00 0.00 H new ATOM 654 N ASN A 71 9.466 0.239 4.981 1.00 0.00 N ATOM 655 CA ASN A 71 9.565 1.549 4.349 1.00 0.00 C ATOM 656 C ASN A 71 8.436 1.763 3.346 1.00 0.00 C ATOM 657 O ASN A 71 7.595 2.646 3.522 1.00 0.00 O ATOM 658 CB ASN A 71 10.916 1.699 3.649 1.00 0.00 C ATOM 659 CG ASN A 71 11.354 3.147 3.543 1.00 0.00 C ATOM 660 OD1 ASN A 71 12.169 3.620 4.336 1.00 0.00 O ATOM 661 ND2 ASN A 71 10.814 3.858 2.561 1.00 0.00 N ATOM 0 H ASN A 71 10.247 -0.386 4.781 1.00 0.00 H new ATOM 0 HA ASN A 71 9.479 2.305 5.130 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.670 1.133 4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.855 1.267 2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.070 4.838 2.440 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.143 3.425 1.927 1.00 0.00 H new ATOM 668 N LEU A 72 8.423 0.954 2.290 1.00 0.00 N ATOM 669 CA LEU A 72 7.398 1.063 1.258 1.00 0.00 C ATOM 670 C LEU A 72 5.999 0.962 1.860 1.00 0.00 C ATOM 671 O LEU A 72 5.050 1.555 1.347 1.00 0.00 O ATOM 672 CB LEU A 72 7.592 -0.018 0.190 1.00 0.00 C ATOM 673 CG LEU A 72 7.682 -1.451 0.717 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.315 -1.943 1.168 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.258 -2.373 -0.349 1.00 0.00 C ATOM 0 H LEU A 72 9.110 0.217 2.127 1.00 0.00 H new ATOM 0 HA LEU A 72 7.499 2.042 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.764 0.040 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.502 0.204 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 72 8.349 -1.460 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.400 -2.964 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.940 -1.298 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.624 -1.920 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.316 -3.389 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.615 -2.358 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.256 -2.033 -0.624 1.00 0.00 H new ATOM 687 N TYR A 73 5.876 0.217 2.955 1.00 0.00 N ATOM 688 CA TYR A 73 4.587 0.056 3.617 1.00 0.00 C ATOM 689 C TYR A 73 4.256 1.281 4.460 1.00 0.00 C ATOM 690 O TYR A 73 3.093 1.661 4.585 1.00 0.00 O ATOM 691 CB TYR A 73 4.574 -1.197 4.494 1.00 0.00 C ATOM 692 CG TYR A 73 3.184 -1.597 4.940 1.00 0.00 C ATOM 693 CD1 TYR A 73 2.109 -1.542 4.059 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.944 -2.025 6.240 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.838 -1.902 4.460 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.674 -2.388 6.648 1.00 0.00 C ATOM 697 CZ TYR A 73 0.625 -2.324 5.755 1.00 0.00 C ATOM 698 OH TYR A 73 -0.640 -2.684 6.158 1.00 0.00 O ATOM 0 H TYR A 73 6.647 -0.281 3.399 1.00 0.00 H new ATOM 0 HA TYR A 73 3.828 -0.054 2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.024 -2.023 3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.195 -1.024 5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.271 -1.212 3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.763 -2.075 6.943 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.015 -1.853 3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.504 -2.720 7.661 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.618 -2.958 7.099 1.00 0.00 H new ATOM 708 N SER A 74 5.285 1.901 5.032 1.00 0.00 N ATOM 709 CA SER A 74 5.093 3.089 5.857 1.00 0.00 C ATOM 710 C SER A 74 4.227 4.110 5.126 1.00 0.00 C ATOM 711 O SER A 74 3.303 4.686 5.701 1.00 0.00 O ATOM 712 CB SER A 74 6.444 3.710 6.220 1.00 0.00 C ATOM 713 OG SER A 74 6.497 4.052 7.594 1.00 0.00 O ATOM 0 H SER A 74 6.256 1.602 4.940 1.00 0.00 H new ATOM 0 HA SER A 74 4.585 2.792 6.775 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.245 3.008 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.613 4.600 5.614 1.00 0.00 H new ATOM 0 HG SER A 74 7.371 4.445 7.800 1.00 0.00 H new ATOM 719 N HIS A 75 4.529 4.315 3.849 1.00 0.00 N ATOM 720 CA HIS A 75 3.775 5.252 3.026 1.00 0.00 C ATOM 721 C HIS A 75 2.454 4.630 2.580 1.00 0.00 C ATOM 722 O HIS A 75 1.488 5.337 2.299 1.00 0.00 O ATOM 723 CB HIS A 75 4.595 5.668 1.804 1.00 0.00 C ATOM 724 CG HIS A 75 6.020 6.001 2.122 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.428 6.461 3.357 1.00 0.00 N ATOM 726 CD2 HIS A 75 7.137 5.938 1.358 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.733 6.667 3.338 1.00 0.00 C ATOM 728 NE2 HIS A 75 8.187 6.357 2.138 1.00 0.00 N ATOM 0 H HIS A 75 5.291 3.844 3.361 1.00 0.00 H new ATOM 0 HA HIS A 75 3.561 6.137 3.625 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.574 4.861 1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.124 6.534 1.338 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.192 5.618 0.328 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.327 7.028 4.164 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.160 6.419 1.838 1.00 0.00 H new ATOM 737 N THR A 76 2.422 3.302 2.515 1.00 0.00 N ATOM 738 CA THR A 76 1.220 2.586 2.102 1.00 0.00 C ATOM 739 C THR A 76 0.163 2.604 3.203 1.00 0.00 C ATOM 740 O THR A 76 -1.012 2.866 2.949 1.00 0.00 O ATOM 741 CB THR A 76 1.561 1.142 1.747 1.00 0.00 C ATOM 742 OG1 THR A 76 2.586 1.091 0.771 1.00 0.00 O ATOM 743 CG2 THR A 76 0.374 0.372 1.213 1.00 0.00 C ATOM 0 H THR A 76 3.214 2.701 2.743 1.00 0.00 H new ATOM 0 HA THR A 76 0.816 3.091 1.224 1.00 0.00 H new ATOM 0 HB THR A 76 1.889 0.680 2.678 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.430 1.391 1.168 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.678 -0.648 0.978 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.415 0.352 1.965 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.002 0.857 0.310 1.00 0.00 H new ATOM 751 N GLN A 77 0.589 2.310 4.424 1.00 0.00 N ATOM 752 CA GLN A 77 -0.319 2.282 5.563 1.00 0.00 C ATOM 753 C GLN A 77 -0.839 3.680 5.894 1.00 0.00 C ATOM 754 O GLN A 77 -1.911 3.827 6.481 1.00 0.00 O ATOM 755 CB GLN A 77 0.385 1.689 6.784 1.00 0.00 C ATOM 756 CG GLN A 77 1.571 2.512 7.261 1.00 0.00 C ATOM 757 CD GLN A 77 1.913 2.252 8.715 1.00 0.00 C ATOM 758 OE1 GLN A 77 1.889 1.111 9.176 1.00 0.00 O ATOM 759 NE2 GLN A 77 2.234 3.313 9.446 1.00 0.00 N ATOM 0 H GLN A 77 1.558 2.087 4.651 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.170 1.656 5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.334 1.597 7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.725 0.682 6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.439 2.286 6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.351 3.571 7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.241 4.241 9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.474 3.200 10.431 1.00 0.00 H new ATOM 768 N ARG A 78 -0.073 4.703 5.525 1.00 0.00 N ATOM 769 CA ARG A 78 -0.465 6.082 5.800 1.00 0.00 C ATOM 770 C ARG A 78 -1.203 6.708 4.616 1.00 0.00 C ATOM 771 O ARG A 78 -2.094 7.536 4.804 1.00 0.00 O ATOM 772 CB ARG A 78 0.763 6.924 6.157 1.00 0.00 C ATOM 773 CG ARG A 78 1.737 7.108 5.003 1.00 0.00 C ATOM 774 CD ARG A 78 1.748 8.543 4.500 1.00 0.00 C ATOM 775 NE ARG A 78 1.016 8.689 3.244 1.00 0.00 N ATOM 776 CZ ARG A 78 0.633 9.860 2.740 1.00 0.00 C ATOM 777 NH1 ARG A 78 0.908 10.988 3.384 1.00 0.00 N ATOM 778 NH2 ARG A 78 -0.026 9.904 1.591 1.00 0.00 N ATOM 0 H ARG A 78 0.818 4.604 5.038 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.149 6.065 6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.433 7.904 6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.285 6.453 6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.740 6.827 5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.465 6.438 4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.307 9.195 5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.778 8.870 4.359 1.00 0.00 H new ATOM 0 HE ARG A 78 0.785 7.844 2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.415 10.960 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.613 11.883 2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.240 9.040 1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.319 10.802 1.205 1.00 0.00 H new ATOM 792 N THR A 79 -0.833 6.315 3.400 1.00 0.00 N ATOM 793 CA THR A 79 -1.473 6.854 2.203 1.00 0.00 C ATOM 794 C THR A 79 -2.941 6.445 2.139 1.00 0.00 C ATOM 795 O THR A 79 -3.815 7.274 1.884 1.00 0.00 O ATOM 796 CB THR A 79 -0.747 6.384 0.940 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.281 7.016 -0.209 1.00 0.00 O ATOM 798 CG2 THR A 79 -0.831 4.892 0.721 1.00 0.00 C ATOM 0 H THR A 79 -0.099 5.631 3.218 1.00 0.00 H new ATOM 0 HA THR A 79 -1.415 7.941 2.258 1.00 0.00 H new ATOM 0 HB THR A 79 0.298 6.654 1.091 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.840 7.773 0.064 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.296 4.627 -0.191 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.382 4.374 1.569 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.876 4.596 0.627 1.00 0.00 H new ATOM 806 N LEU A 80 -3.208 5.164 2.372 1.00 0.00 N ATOM 807 CA LEU A 80 -4.573 4.652 2.341 1.00 0.00 C ATOM 808 C LEU A 80 -5.446 5.385 3.354 1.00 0.00 C ATOM 809 O LEU A 80 -6.601 5.704 3.075 1.00 0.00 O ATOM 810 CB LEU A 80 -4.589 3.150 2.626 1.00 0.00 C ATOM 811 CG LEU A 80 -3.761 2.297 1.664 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.633 0.876 2.187 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.388 2.305 0.283 1.00 0.00 C ATOM 0 H LEU A 80 -2.498 4.463 2.584 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.977 4.824 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.224 2.985 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.622 2.802 2.598 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.761 2.724 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.041 0.284 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.142 0.889 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.625 0.434 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.789 1.694 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.398 1.899 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.428 3.328 -0.092 1.00 0.00 H new ATOM 825 N ASP A 81 -4.883 5.656 4.528 1.00 0.00 N ATOM 826 CA ASP A 81 -5.610 6.360 5.577 1.00 0.00 C ATOM 827 C ASP A 81 -6.100 7.712 5.071 1.00 0.00 C ATOM 828 O ASP A 81 -7.246 8.096 5.301 1.00 0.00 O ATOM 829 CB ASP A 81 -4.719 6.549 6.808 1.00 0.00 C ATOM 830 CG ASP A 81 -5.417 6.149 8.093 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.139 5.130 8.084 1.00 0.00 O ATOM 832 OD2 ASP A 81 -5.240 6.854 9.109 1.00 0.00 O ATOM 0 H ASP A 81 -3.927 5.399 4.776 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.475 5.759 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.812 5.957 6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.412 7.593 6.874 1.00 0.00 H new ATOM 837 N MET A 82 -5.223 8.424 4.370 1.00 0.00 N ATOM 838 CA MET A 82 -5.563 9.730 3.817 1.00 0.00 C ATOM 839 C MET A 82 -6.756 9.622 2.875 1.00 0.00 C ATOM 840 O MET A 82 -7.504 10.582 2.690 1.00 0.00 O ATOM 841 CB MET A 82 -4.359 10.319 3.077 1.00 0.00 C ATOM 842 CG MET A 82 -3.166 10.592 3.979 1.00 0.00 C ATOM 843 SD MET A 82 -3.095 12.304 4.542 1.00 0.00 S ATOM 844 CE MET A 82 -4.822 12.618 4.900 1.00 0.00 C ATOM 0 H MET A 82 -4.271 8.118 4.171 1.00 0.00 H new ATOM 0 HA MET A 82 -5.833 10.392 4.640 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.057 9.632 2.287 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.659 11.249 2.594 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.212 9.931 4.845 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.248 10.352 3.443 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.934 13.628 5.293 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.407 12.517 3.986 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.177 11.900 5.639 1.00 0.00 H new ATOM 854 N ALA A 83 -6.932 8.444 2.285 1.00 0.00 N ATOM 855 CA ALA A 83 -8.037 8.207 1.368 1.00 0.00 C ATOM 856 C ALA A 83 -9.313 7.867 2.130 1.00 0.00 C ATOM 857 O ALA A 83 -10.416 8.140 1.660 1.00 0.00 O ATOM 858 CB ALA A 83 -7.686 7.092 0.395 1.00 0.00 C ATOM 0 H ALA A 83 -6.322 7.639 2.427 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.214 9.122 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.522 6.926 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.803 7.374 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.482 6.176 0.950 1.00 0.00 H new ATOM 864 N ASP A 84 -9.154 7.272 3.311 1.00 0.00 N ATOM 865 CA ASP A 84 -10.294 6.894 4.142 1.00 0.00 C ATOM 866 C ASP A 84 -10.671 8.015 5.108 1.00 0.00 C ATOM 867 O ASP A 84 -11.031 7.762 6.258 1.00 0.00 O ATOM 868 CB ASP A 84 -9.978 5.618 4.924 1.00 0.00 C ATOM 869 CG ASP A 84 -11.170 4.685 5.015 1.00 0.00 C ATOM 870 OD1 ASP A 84 -11.745 4.351 3.958 1.00 0.00 O ATOM 871 OD2 ASP A 84 -11.529 4.290 6.144 1.00 0.00 O ATOM 0 H ASP A 84 -8.246 7.041 3.714 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.143 6.712 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.149 5.098 4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.650 5.883 5.929 1.00 0.00 H new ATOM 876 N MET A 85 -10.591 9.254 4.633 1.00 0.00 N ATOM 877 CA MET A 85 -10.929 10.413 5.454 1.00 0.00 C ATOM 878 C MET A 85 -11.885 11.339 4.715 1.00 0.00 C ATOM 879 O MET A 85 -12.881 11.798 5.273 1.00 0.00 O ATOM 880 CB MET A 85 -9.665 11.183 5.841 1.00 0.00 C ATOM 881 CG MET A 85 -8.831 10.487 6.900 1.00 0.00 C ATOM 882 SD MET A 85 -7.603 11.578 7.645 1.00 0.00 S ATOM 883 CE MET A 85 -8.659 12.726 8.527 1.00 0.00 C ATOM 0 H MET A 85 -10.295 9.482 3.684 1.00 0.00 H new ATOM 0 HA MET A 85 -11.418 10.051 6.359 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.055 11.334 4.951 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.948 12.171 6.204 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.488 10.101 7.679 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.327 9.629 6.454 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.107 13.162 9.360 1.00 0.00 H new ATOM 0 HE2 MET A 85 -8.980 13.518 7.851 1.00 0.00 H new ATOM 0 HE3 MET A 85 -9.533 12.197 8.908 1.00 0.00 H new ATOM 893 N GLN A 86 -11.562 11.614 3.455 1.00 0.00 N ATOM 894 CA GLN A 86 -12.375 12.496 2.616 1.00 0.00 C ATOM 895 C GLN A 86 -13.870 12.232 2.794 1.00 0.00 C ATOM 896 O GLN A 86 -14.686 13.145 2.672 1.00 0.00 O ATOM 897 CB GLN A 86 -11.988 12.330 1.144 1.00 0.00 C ATOM 898 CG GLN A 86 -12.786 13.215 0.200 1.00 0.00 C ATOM 899 CD GLN A 86 -12.793 14.667 0.633 1.00 0.00 C ATOM 900 OE1 GLN A 86 -11.765 15.212 1.034 1.00 0.00 O ATOM 901 NE2 GLN A 86 -13.955 15.300 0.558 1.00 0.00 N ATOM 0 H GLN A 86 -10.738 11.237 2.988 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.178 13.521 2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.927 12.554 1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.127 11.288 0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.367 13.141 -0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.812 12.850 0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.782 14.809 0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.022 16.278 0.839 1.00 0.00 H new ATOM 910 N HIS A 87 -14.226 10.984 3.084 1.00 0.00 N ATOM 911 CA HIS A 87 -15.629 10.622 3.277 1.00 0.00 C ATOM 912 C HIS A 87 -16.151 11.174 4.601 1.00 0.00 C ATOM 913 O HIS A 87 -16.506 10.417 5.505 1.00 0.00 O ATOM 914 CB HIS A 87 -15.815 9.100 3.244 1.00 0.00 C ATOM 915 CG HIS A 87 -14.849 8.382 2.353 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.911 8.083 1.033 1.00 0.00 N flip ATOM 917 CD2 HIS A 87 -13.652 7.871 2.804 1.00 0.00 C flip ATOM 918 CE1 HIS A 87 -13.761 7.404 0.717 1.00 0.00 C flip ATOM 919 NE2 HIS A 87 -13.019 7.289 1.802 1.00 0.00 N flip ATOM 0 H HIS A 87 -13.569 10.211 3.190 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.199 11.061 2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.715 8.711 4.257 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.830 8.876 2.915 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -15.670 8.318 0.394 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -13.288 7.936 3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -13.505 7.025 -0.261 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.319 17.099 -0.018 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.382 17.011 -1.012 1.00 0.00 C ATOM 1112 C LEU A 101 -6.776 15.556 -1.261 1.00 0.00 C ATOM 1113 O LEU A 101 -5.951 14.651 -1.139 1.00 0.00 O ATOM 1114 CB LEU A 101 -5.940 17.664 -2.323 1.00 0.00 C ATOM 1115 CG LEU A 101 -6.054 19.189 -2.356 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -5.394 19.748 -3.607 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -7.513 19.617 -2.284 1.00 0.00 C ATOM 0 HA LEU A 101 -7.251 17.543 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.904 17.388 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.538 17.252 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.535 19.591 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.486 20.834 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.339 19.473 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -5.883 19.338 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.575 20.705 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.056 19.203 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.955 19.249 -1.358 1.00 0.00 H new ATOM 1129 N PRO A 102 -8.051 15.313 -1.609 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.559 13.961 -1.870 1.00 0.00 C ATOM 1131 C PRO A 102 -7.682 13.175 -2.841 1.00 0.00 C ATOM 1132 O PRO A 102 -7.686 11.944 -2.833 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.935 14.214 -2.485 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.359 15.532 -1.940 1.00 0.00 C ATOM 1135 CD PRO A 102 -9.100 16.339 -1.772 1.00 0.00 C ATOM 0 HA PRO A 102 -8.580 13.358 -0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.884 14.234 -3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.640 13.428 -2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.053 16.029 -2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.875 15.412 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.911 16.972 -2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.157 16.996 -0.904 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.939 13.886 -3.682 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.071 13.237 -4.658 1.00 0.00 C ATOM 1145 C HIS A 103 -4.678 12.971 -4.088 1.00 0.00 C ATOM 1146 O HIS A 103 -3.868 12.285 -4.711 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.970 14.081 -5.929 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.446 15.466 -5.699 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -4.236 15.727 -5.089 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -5.977 16.674 -6.005 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -4.049 17.033 -5.028 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -5.089 17.630 -5.579 1.00 0.00 N ATOM 0 H HIS A 103 -6.920 14.905 -3.708 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.518 12.274 -4.905 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.321 13.571 -6.641 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.956 14.148 -6.388 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -3.587 15.021 -4.740 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.924 16.852 -6.494 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.190 17.529 -4.600 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.399 13.509 -2.905 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.101 13.309 -2.271 1.00 0.00 C ATOM 1163 C GLU A 104 -2.957 11.870 -1.791 1.00 0.00 C ATOM 1164 O GLU A 104 -1.865 11.304 -1.803 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.928 14.266 -1.091 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.607 15.692 -1.506 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.354 15.785 -2.356 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.247 15.614 -1.802 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -1.480 16.029 -3.574 1.00 0.00 O ATOM 0 H GLU A 104 -5.050 14.083 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.327 13.515 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.842 14.266 -0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.130 13.895 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.450 16.103 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.483 16.307 -0.614 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.073 11.288 -1.366 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.084 9.916 -0.875 1.00 0.00 C ATOM 1178 C ASN A 105 -3.950 8.918 -2.023 1.00 0.00 C ATOM 1179 O ASN A 105 -3.222 7.931 -1.916 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.372 9.644 -0.094 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.611 10.070 -0.856 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.003 9.433 -1.834 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.236 11.154 -0.410 1.00 0.00 N ATOM 0 H ASN A 105 -4.984 11.747 -1.352 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.228 9.790 -0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.437 8.580 0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.335 10.173 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.076 11.489 -0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.876 11.651 0.405 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.656 9.178 -3.120 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.610 8.295 -4.281 1.00 0.00 C ATOM 1192 C VAL A 106 -3.221 8.286 -4.913 1.00 0.00 C ATOM 1193 O VAL A 106 -2.747 7.250 -5.378 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.656 8.697 -5.344 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.036 8.814 -4.717 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.272 10.001 -6.029 1.00 0.00 C ATOM 0 H VAL A 106 -5.264 9.989 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.845 7.293 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.681 7.913 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.760 9.098 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.322 7.855 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.017 9.573 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.027 10.258 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.208 10.797 -5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.306 9.883 -6.520 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.574 9.447 -4.925 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.239 9.572 -5.500 1.00 0.00 C ATOM 1208 C ASP A 107 -0.241 8.699 -4.747 1.00 0.00 C ATOM 1209 O ASP A 107 0.475 7.897 -5.346 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.784 11.032 -5.473 1.00 0.00 C ATOM 1211 CG ASP A 107 -1.125 11.767 -6.755 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -2.289 11.676 -7.200 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -0.229 12.434 -7.313 1.00 0.00 O ATOM 0 H ASP A 107 -2.952 10.314 -4.543 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.281 9.233 -6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.252 11.540 -4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.293 11.071 -5.310 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.200 8.858 -3.428 1.00 0.00 N ATOM 1219 CA ASP A 108 0.709 8.081 -2.594 1.00 0.00 C ATOM 1220 C ASP A 108 0.316 6.607 -2.589 1.00 0.00 C ATOM 1221 O ASP A 108 1.152 5.733 -2.360 1.00 0.00 O ATOM 1222 CB ASP A 108 0.715 8.626 -1.165 1.00 0.00 C ATOM 1223 CG ASP A 108 1.613 9.838 -1.012 1.00 0.00 C ATOM 1224 OD1 ASP A 108 1.199 10.940 -1.429 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.731 9.685 -0.476 1.00 0.00 O ATOM 0 H ASP A 108 -0.785 9.517 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 108 1.712 8.169 -3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.302 8.892 -0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.046 7.844 -0.482 1.00 0.00 H new ATOM 1230 N MET A 109 -0.962 6.336 -2.843 1.00 0.00 N ATOM 1231 CA MET A 109 -1.462 4.967 -2.868 1.00 0.00 C ATOM 1232 C MET A 109 -0.811 4.169 -3.993 1.00 0.00 C ATOM 1233 O MET A 109 -0.096 3.198 -3.745 1.00 0.00 O ATOM 1234 CB MET A 109 -2.984 4.960 -3.031 1.00 0.00 C ATOM 1235 CG MET A 109 -3.723 4.466 -1.798 1.00 0.00 C ATOM 1236 SD MET A 109 -4.913 5.667 -1.171 1.00 0.00 S ATOM 1237 CE MET A 109 -6.416 5.081 -1.946 1.00 0.00 C ATOM 0 H MET A 109 -1.668 7.047 -3.034 1.00 0.00 H new ATOM 0 HA MET A 109 -1.205 4.495 -1.920 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.321 5.969 -3.267 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.248 4.329 -3.880 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.242 3.538 -2.038 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.001 4.234 -1.015 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.759 5.815 -2.675 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.221 4.134 -2.449 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.185 4.937 -1.187 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.061 4.585 -5.232 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.496 3.907 -6.395 1.00 0.00 C ATOM 1249 C ARG A 110 1.009 3.715 -6.232 1.00 0.00 C ATOM 1250 O ARG A 110 1.582 2.752 -6.742 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.792 4.698 -7.674 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.022 6.006 -7.778 1.00 0.00 C ATOM 1253 CD ARG A 110 1.111 5.910 -8.789 1.00 0.00 C ATOM 1254 NE ARG A 110 0.760 6.527 -10.066 1.00 0.00 N ATOM 1255 CZ ARG A 110 1.654 6.896 -10.982 1.00 0.00 C ATOM 1256 NH1 ARG A 110 2.950 6.712 -10.766 1.00 0.00 N ATOM 1257 NH2 ARG A 110 1.249 7.449 -12.117 1.00 0.00 N ATOM 0 H ARG A 110 -1.650 5.387 -5.456 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.963 2.925 -6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.554 4.077 -8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.860 4.911 -7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.702 6.807 -8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.383 6.269 -6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.000 6.395 -8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.365 4.862 -8.950 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.227 6.684 -10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.266 6.286 -9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.630 6.997 -11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.254 7.592 -12.288 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.933 7.732 -12.819 1.00 0.00 H new ATOM 1271 N SER A 111 1.642 4.635 -5.511 1.00 0.00 N ATOM 1272 CA SER A 111 3.078 4.563 -5.273 1.00 0.00 C ATOM 1273 C SER A 111 3.428 3.295 -4.503 1.00 0.00 C ATOM 1274 O SER A 111 4.466 2.676 -4.742 1.00 0.00 O ATOM 1275 CB SER A 111 3.552 5.794 -4.498 1.00 0.00 C ATOM 1276 OG SER A 111 3.996 6.812 -5.379 1.00 0.00 O ATOM 0 H SER A 111 1.183 5.438 -5.082 1.00 0.00 H new ATOM 0 HA SER A 111 3.585 4.538 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.739 6.173 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.361 5.514 -3.824 1.00 0.00 H new ATOM 0 HG SER A 111 4.292 7.588 -4.859 1.00 0.00 H new ATOM 1282 N ALA A 112 2.551 2.909 -3.582 1.00 0.00 N ATOM 1283 CA ALA A 112 2.764 1.711 -2.781 1.00 0.00 C ATOM 1284 C ALA A 112 2.829 0.473 -3.666 1.00 0.00 C ATOM 1285 O ALA A 112 3.761 -0.325 -3.568 1.00 0.00 O ATOM 1286 CB ALA A 112 1.660 1.564 -1.743 1.00 0.00 C ATOM 0 H ALA A 112 1.687 3.409 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 112 3.718 1.811 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.833 0.664 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.659 2.434 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.696 1.488 -2.246 1.00 0.00 H new ATOM 1292 N ILE A 113 1.835 0.319 -4.536 1.00 0.00 N ATOM 1293 CA ILE A 113 1.785 -0.823 -5.439 1.00 0.00 C ATOM 1294 C ILE A 113 3.048 -0.899 -6.293 1.00 0.00 C ATOM 1295 O ILE A 113 3.474 -1.979 -6.690 1.00 0.00 O ATOM 1296 CB ILE A 113 0.532 -0.773 -6.349 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.046 -2.177 -6.530 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.853 -0.150 -7.703 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.175 -2.493 -5.573 1.00 0.00 C ATOM 0 H ILE A 113 1.056 0.970 -4.634 1.00 0.00 H new ATOM 0 HA ILE A 113 1.723 -1.720 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.213 -0.144 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.407 -2.284 -7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.750 -2.909 -6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.047 -0.130 -8.317 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.216 0.867 -7.558 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.620 -0.741 -8.203 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.537 -3.504 -5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.814 -2.419 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.989 -1.784 -5.723 1.00 0.00 H new ATOM 1311 N THR A 114 3.646 0.256 -6.567 1.00 0.00 N ATOM 1312 CA THR A 114 4.864 0.307 -7.367 1.00 0.00 C ATOM 1313 C THR A 114 5.973 -0.495 -6.696 1.00 0.00 C ATOM 1314 O THR A 114 6.736 -1.198 -7.359 1.00 0.00 O ATOM 1315 CB THR A 114 5.312 1.756 -7.567 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.268 2.531 -8.129 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.519 1.889 -8.470 1.00 0.00 C ATOM 0 H THR A 114 3.309 1.165 -6.249 1.00 0.00 H new ATOM 0 HA THR A 114 4.654 -0.132 -8.342 1.00 0.00 H new ATOM 0 HB THR A 114 5.580 2.116 -6.573 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.539 2.618 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.784 2.941 -8.570 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.358 1.342 -8.039 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.285 1.479 -9.453 1.00 0.00 H new ATOM 1325 N ASP A 115 6.046 -0.390 -5.373 1.00 0.00 N ATOM 1326 CA ASP A 115 7.053 -1.108 -4.603 1.00 0.00 C ATOM 1327 C ASP A 115 6.551 -2.499 -4.227 1.00 0.00 C ATOM 1328 O ASP A 115 7.301 -3.474 -4.273 1.00 0.00 O ATOM 1329 CB ASP A 115 7.415 -0.323 -3.340 1.00 0.00 C ATOM 1330 CG ASP A 115 8.906 -0.073 -3.223 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.474 0.569 -4.130 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.506 -0.520 -2.222 1.00 0.00 O ATOM 0 H ASP A 115 5.419 0.186 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 115 7.945 -1.215 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.889 0.631 -3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.071 -0.872 -2.463 1.00 0.00 H new ATOM 1337 N TRP A 116 5.276 -2.583 -3.857 1.00 0.00 N ATOM 1338 CA TRP A 116 4.675 -3.855 -3.476 1.00 0.00 C ATOM 1339 C TRP A 116 4.591 -4.793 -4.674 1.00 0.00 C ATOM 1340 O TRP A 116 4.910 -5.977 -4.569 1.00 0.00 O ATOM 1341 CB TRP A 116 3.286 -3.629 -2.875 1.00 0.00 C ATOM 1342 CG TRP A 116 3.336 -3.197 -1.441 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.268 -1.918 -0.966 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.477 -4.043 -0.295 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.359 -1.919 0.404 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.489 -3.212 0.840 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.593 -5.424 -0.118 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.616 -3.717 2.131 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.718 -5.924 1.164 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.728 -5.072 2.274 1.00 0.00 C ATOM 0 H TRP A 116 4.641 -1.786 -3.813 1.00 0.00 H new ATOM 0 HA TRP A 116 5.309 -4.321 -2.722 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.761 -2.873 -3.459 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.708 -4.550 -2.952 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.159 -1.035 -1.578 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.334 -1.092 1.000 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.585 -6.089 -0.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.626 -3.062 2.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.809 -6.990 1.312 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.826 -5.493 3.264 1.00 0.00 H new ATOM 1361 N SER A 117 4.177 -4.255 -5.817 1.00 0.00 N ATOM 1362 CA SER A 117 4.073 -5.049 -7.035 1.00 0.00 C ATOM 1363 C SER A 117 5.445 -5.585 -7.428 1.00 0.00 C ATOM 1364 O SER A 117 5.615 -6.782 -7.668 1.00 0.00 O ATOM 1365 CB SER A 117 3.492 -4.213 -8.177 1.00 0.00 C ATOM 1366 OG SER A 117 2.180 -3.773 -7.872 1.00 0.00 O ATOM 0 H SER A 117 3.909 -3.277 -5.925 1.00 0.00 H new ATOM 0 HA SER A 117 3.403 -5.887 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.133 -3.352 -8.364 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.477 -4.804 -9.093 1.00 0.00 H new ATOM 0 HG SER A 117 2.198 -2.818 -7.651 1.00 0.00 H new ATOM 1372 N ASP A 118 6.425 -4.687 -7.476 1.00 0.00 N ATOM 1373 CA ASP A 118 7.790 -5.062 -7.823 1.00 0.00 C ATOM 1374 C ASP A 118 8.325 -6.086 -6.830 1.00 0.00 C ATOM 1375 O ASP A 118 9.100 -6.973 -7.190 1.00 0.00 O ATOM 1376 CB ASP A 118 8.693 -3.827 -7.836 1.00 0.00 C ATOM 1377 CG ASP A 118 10.106 -4.149 -8.283 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.834 -4.813 -7.517 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.484 -3.736 -9.400 1.00 0.00 O ATOM 0 H ASP A 118 6.298 -3.694 -7.279 1.00 0.00 H new ATOM 0 HA ASP A 118 7.785 -5.505 -8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.267 -3.076 -8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.721 -3.390 -6.838 1.00 0.00 H new ATOM 1384 N MET A 119 7.899 -5.958 -5.578 1.00 0.00 N ATOM 1385 CA MET A 119 8.324 -6.872 -4.527 1.00 0.00 C ATOM 1386 C MET A 119 7.662 -8.233 -4.700 1.00 0.00 C ATOM 1387 O MET A 119 8.270 -9.268 -4.434 1.00 0.00 O ATOM 1388 CB MET A 119 7.984 -6.296 -3.152 1.00 0.00 C ATOM 1389 CG MET A 119 8.639 -7.043 -2.002 1.00 0.00 C ATOM 1390 SD MET A 119 8.392 -6.225 -0.415 1.00 0.00 S ATOM 1391 CE MET A 119 10.025 -6.384 0.302 1.00 0.00 C ATOM 0 H MET A 119 7.258 -5.228 -5.267 1.00 0.00 H new ATOM 0 HA MET A 119 9.404 -6.998 -4.600 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.292 -5.251 -3.118 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.903 -6.314 -3.017 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.234 -8.054 -1.953 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.707 -7.137 -2.196 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.173 -5.602 1.046 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.120 -7.360 0.777 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.777 -6.287 -0.481 1.00 0.00 H new ATOM 1401 N ARG A 120 6.412 -8.226 -5.151 1.00 0.00 N ATOM 1402 CA ARG A 120 5.670 -9.465 -5.363 1.00 0.00 C ATOM 1403 C ARG A 120 6.482 -10.446 -6.203 1.00 0.00 C ATOM 1404 O ARG A 120 6.546 -11.637 -5.898 1.00 0.00 O ATOM 1405 CB ARG A 120 4.333 -9.173 -6.048 1.00 0.00 C ATOM 1406 CG ARG A 120 3.312 -10.288 -5.889 1.00 0.00 C ATOM 1407 CD ARG A 120 1.979 -9.915 -6.518 1.00 0.00 C ATOM 1408 NE ARG A 120 0.848 -10.439 -5.755 1.00 0.00 N ATOM 1409 CZ ARG A 120 -0.398 -9.984 -5.869 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.677 -8.998 -6.712 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -1.368 -10.516 -5.138 1.00 0.00 N ATOM 0 H ARG A 120 5.892 -7.378 -5.377 1.00 0.00 H new ATOM 0 HA ARG A 120 5.480 -9.917 -4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.919 -8.251 -5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.508 -9.001 -7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.692 -11.199 -6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.169 -10.503 -4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 120 1.900 -8.830 -6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 120 1.939 -10.300 -7.537 1.00 0.00 H new ATOM 0 HE ARG A 120 1.024 -11.198 -5.096 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.065 -8.585 -7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.633 -8.653 -6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -1.160 -11.274 -4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -2.322 -10.167 -5.226 1.00 0.00 H new ATOM 1425 N GLU A 121 7.105 -9.934 -7.260 1.00 0.00 N ATOM 1426 CA GLU A 121 7.917 -10.762 -8.144 1.00 0.00 C ATOM 1427 C GLU A 121 9.316 -10.967 -7.568 1.00 0.00 C ATOM 1428 O GLU A 121 9.866 -12.067 -7.625 1.00 0.00 O ATOM 1429 CB GLU A 121 8.013 -10.123 -9.531 1.00 0.00 C ATOM 1430 CG GLU A 121 6.939 -10.601 -10.496 1.00 0.00 C ATOM 1431 CD GLU A 121 7.508 -11.045 -11.829 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.321 -11.993 -11.842 1.00 0.00 O ATOM 1433 OE2 GLU A 121 7.141 -10.445 -12.861 1.00 0.00 O ATOM 0 H GLU A 121 7.063 -8.950 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 121 7.434 -11.735 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.942 -9.040 -9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.993 -10.340 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.393 -11.429 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.221 -9.798 -10.661 1.00 0.00 H new ATOM 1440 N ALA A 122 9.887 -9.901 -7.016 1.00 0.00 N ATOM 1441 CA ALA A 122 11.222 -9.963 -6.433 1.00 0.00 C ATOM 1442 C ALA A 122 11.255 -10.893 -5.224 1.00 0.00 C ATOM 1443 O ALA A 122 12.010 -11.865 -5.195 1.00 0.00 O ATOM 1444 CB ALA A 122 11.691 -8.570 -6.040 1.00 0.00 C ATOM 0 H ALA A 122 9.445 -8.983 -6.960 1.00 0.00 H new ATOM 0 HA ALA A 122 11.899 -10.366 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.689 -8.631 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.718 -7.932 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.003 -8.147 -5.308 1.00 0.00 H new ATOM 1450 N LEU A 123 10.431 -10.586 -4.226 1.00 0.00 N ATOM 1451 CA LEU A 123 10.363 -11.390 -3.010 1.00 0.00 C ATOM 1452 C LEU A 123 10.135 -12.864 -3.337 1.00 0.00 C ATOM 1453 O LEU A 123 10.783 -13.742 -2.767 1.00 0.00 O ATOM 1454 CB LEU A 123 9.245 -10.877 -2.098 1.00 0.00 C ATOM 1455 CG LEU A 123 9.614 -10.766 -0.618 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.811 -9.846 -0.434 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.427 -10.265 0.189 1.00 0.00 C ATOM 0 H LEU A 123 9.800 -9.785 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 123 11.318 -11.299 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.930 -9.896 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.386 -11.541 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 123 9.884 -11.757 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.059 -9.779 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.664 -10.245 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.569 -8.853 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.706 -10.192 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.127 -9.283 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.595 -10.961 0.083 1.00 0.00 H new ATOM 1469 N GLN A 124 9.214 -13.128 -4.259 1.00 0.00 N ATOM 1470 CA GLN A 124 8.905 -14.497 -4.660 1.00 0.00 C ATOM 1471 C GLN A 124 10.155 -15.212 -5.165 1.00 0.00 C ATOM 1472 O GLN A 124 10.443 -16.339 -4.764 1.00 0.00 O ATOM 1473 CB GLN A 124 7.826 -14.501 -5.746 1.00 0.00 C ATOM 1474 CG GLN A 124 6.456 -14.922 -5.241 1.00 0.00 C ATOM 1475 CD GLN A 124 5.634 -15.625 -6.304 1.00 0.00 C ATOM 1476 OE1 GLN A 124 6.131 -15.933 -7.387 1.00 0.00 O ATOM 1477 NE2 GLN A 124 4.367 -15.880 -5.999 1.00 0.00 N ATOM 0 H GLN A 124 8.669 -12.413 -4.742 1.00 0.00 H new ATOM 0 HA GLN A 124 8.533 -15.030 -3.785 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.754 -13.503 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.131 -15.174 -6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.576 -15.584 -4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 124 5.915 -14.042 -4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 124 3.997 -15.607 -5.089 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.764 -16.349 -6.675 1.00 0.00 H new ATOM 1486 N HIS A 125 10.893 -14.547 -6.048 1.00 0.00 N ATOM 1487 CA HIS A 125 12.112 -15.116 -6.610 1.00 0.00 C ATOM 1488 C HIS A 125 13.143 -15.388 -5.519 1.00 0.00 C ATOM 1489 O HIS A 125 13.679 -16.492 -5.418 1.00 0.00 O ATOM 1490 CB HIS A 125 12.701 -14.174 -7.662 1.00 0.00 C ATOM 1491 CG HIS A 125 13.942 -14.701 -8.313 1.00 0.00 C ATOM 1492 ND1 HIS A 125 15.122 -14.905 -7.630 1.00 0.00 N ATOM 1493 CD2 HIS A 125 14.183 -15.067 -9.594 1.00 0.00 C ATOM 1494 CE1 HIS A 125 16.036 -15.372 -8.462 1.00 0.00 C ATOM 1495 NE2 HIS A 125 15.491 -15.480 -9.660 1.00 0.00 N ATOM 0 H HIS A 125 10.668 -13.613 -6.390 1.00 0.00 H new ATOM 0 HA HIS A 125 11.855 -16.064 -7.083 1.00 0.00 H new ATOM 0 HB2 HIS A 125 11.950 -13.986 -8.430 1.00 0.00 H new ATOM 0 HB3 HIS A 125 12.926 -13.216 -7.194 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.478 -15.039 -10.412 1.00 0.00 H new ATOM 0 HE1 HIS A 125 17.055 -15.623 -8.206 1.00 0.00 H new ATOM 0 HE2 HIS A 125 15.965 -15.816 -10.499 1.00 0.00 H new ATOM 1504 N ALA A 126 13.418 -14.374 -4.706 1.00 0.00 N ATOM 1505 CA ALA A 126 14.388 -14.503 -3.625 1.00 0.00 C ATOM 1506 C ALA A 126 13.978 -15.596 -2.643 1.00 0.00 C ATOM 1507 O ALA A 126 14.817 -16.359 -2.165 1.00 0.00 O ATOM 1508 CB ALA A 126 14.549 -13.174 -2.902 1.00 0.00 C ATOM 0 H ALA A 126 12.983 -13.454 -4.775 1.00 0.00 H new ATOM 0 HA ALA A 126 15.346 -14.787 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.276 -13.283 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.897 -12.417 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.589 -12.868 -2.485 1.00 0.00 H new ATOM 1514 N MET A 127 12.684 -15.666 -2.345 1.00 0.00 N ATOM 1515 CA MET A 127 12.165 -16.667 -1.418 1.00 0.00 C ATOM 1516 C MET A 127 12.553 -18.075 -1.861 1.00 0.00 C ATOM 1517 O MET A 127 13.011 -18.886 -1.056 1.00 0.00 O ATOM 1518 CB MET A 127 10.643 -16.556 -1.313 1.00 0.00 C ATOM 1519 CG MET A 127 10.099 -16.929 0.057 1.00 0.00 C ATOM 1520 SD MET A 127 8.401 -17.532 -0.010 1.00 0.00 S ATOM 1521 CE MET A 127 7.499 -15.992 -0.159 1.00 0.00 C ATOM 0 H MET A 127 11.976 -15.042 -2.732 1.00 0.00 H new ATOM 0 HA MET A 127 12.605 -16.479 -0.439 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.344 -15.534 -1.547 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.187 -17.201 -2.064 1.00 0.00 H new ATOM 0 HG2 MET A 127 10.735 -17.695 0.500 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.146 -16.059 0.711 1.00 0.00 H new ATOM 0 HE1 MET A 127 6.525 -16.093 0.319 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.060 -15.193 0.326 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.363 -15.751 -1.213 1.00 0.00 H new ATOM 1531 N GLY A 128 12.367 -18.357 -3.146 1.00 0.00 N ATOM 1532 CA GLY A 128 12.703 -19.666 -3.673 1.00 0.00 C ATOM 1533 C GLY A 128 11.873 -20.034 -4.887 1.00 0.00 C ATOM 1534 O GLY A 128 11.399 -21.165 -5.004 1.00 0.00 O ATOM 0 H GLY A 128 11.990 -17.703 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 128 13.760 -19.686 -3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 128 12.556 -20.416 -2.896 1.00 0.00 H new ATOM 1538 N ILE A 129 11.696 -19.078 -5.793 1.00 0.00 N ATOM 1539 CA ILE A 129 10.917 -19.308 -7.004 1.00 0.00 C ATOM 1540 C ILE A 129 11.639 -18.762 -8.232 1.00 0.00 C ATOM 1541 O ILE A 129 12.519 -17.908 -8.118 1.00 0.00 O ATOM 1542 CB ILE A 129 9.524 -18.656 -6.909 1.00 0.00 C ATOM 1543 CG1 ILE A 129 8.864 -19.001 -5.573 1.00 0.00 C ATOM 1544 CG2 ILE A 129 8.649 -19.103 -8.070 1.00 0.00 C ATOM 1545 CD1 ILE A 129 7.654 -18.147 -5.259 1.00 0.00 C ATOM 0 H ILE A 129 12.081 -18.137 -5.712 1.00 0.00 H new ATOM 0 HA ILE A 129 10.798 -20.387 -7.104 1.00 0.00 H new ATOM 0 HB ILE A 129 9.642 -17.574 -6.965 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.566 -20.049 -5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.597 -18.886 -4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.669 -18.634 -7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.115 -18.809 -9.011 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.536 -20.187 -8.044 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.237 -18.447 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 129 7.950 -17.099 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 129 6.903 -18.280 -6.038 1.00 0.00 H new