USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 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 Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0786 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.9 F(o=-2.4!,f=-1.9) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HE2:sc= -0.335 F(o=-2.1,f=-0.34) USER MOD Single : A 42 GLN : amide:sc= -1.02 K(o=-1,f=-3.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 54 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.5!) USER MOD Single : A 58 SER OG : rot 170:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc=-0.00945 X(o=-0.0094,f=0) USER MOD Single : A 63 GLN : amide:sc=-0.000487 X(o=-0.00049,f=-0.069) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 67 ASN : amide:sc= -4.69 K(o=-4.7,f=-18!) USER MOD Single : A 69 TYR OH : rot 30:sc= -0.157 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.39) 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 70:sc= 0.142 USER MOD Single : A 75 HIS : no HD1:sc= -0.0844 X(o=-0.084,f=0) USER MOD Single : A 76 THR OG1 : rot 78:sc= -2.31! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -4:sc= 0.0611 USER MOD Single : A 82 MET CE :methyl 152:sc= -0.276 (180deg=-1.33) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc=-0.00815 X(o=-0.0082,f=-0.0082) USER MOD Single : A 87 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.4) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -1.44 F(o=-3.7!,f=-1.4) USER MOD Single : A 105 ASN : amide:sc= -2.83 K(o=-2.8,f=-8.9!) USER MOD Single : A 109 MET CE :methyl 130:sc= -10.5! (180deg=-15.9!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 66:sc= 0.591 USER MOD Single : A 117 SER OG : rot 93:sc= 0.409 USER MOD Single : A 119 MET CE :methyl -113:sc= -2.52 (180deg=-5.08!) USER MOD Single : A 124 GLN : amide:sc= -3.29! C(o=-3.3!,f=-6.8!) USER MOD Single : A 125 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.91) USER MOD Single : A 127 MET CE :methyl -146:sc= -0.421 (180deg=-2.35!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.436 11.536 -6.707 1.00 0.00 N ATOM 44 CA THR A 32 -15.628 10.892 -6.168 1.00 0.00 C ATOM 45 C THR A 32 -15.290 10.080 -4.920 1.00 0.00 C ATOM 46 O THR A 32 -14.222 9.475 -4.830 1.00 0.00 O ATOM 47 CB THR A 32 -16.273 9.995 -7.229 1.00 0.00 C ATOM 48 OG1 THR A 32 -17.560 9.574 -6.817 1.00 0.00 O ATOM 49 CG2 THR A 32 -15.463 8.757 -7.549 1.00 0.00 C ATOM 0 HA THR A 32 -16.338 11.669 -5.886 1.00 0.00 H new ATOM 0 HB THR A 32 -16.328 10.611 -8.127 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.955 9.004 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.980 8.170 -8.308 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.482 9.051 -7.924 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.342 8.158 -6.646 1.00 0.00 H new ATOM 57 N SER A 33 -16.207 10.076 -3.957 1.00 0.00 N ATOM 58 CA SER A 33 -16.008 9.344 -2.709 1.00 0.00 C ATOM 59 C SER A 33 -15.674 7.879 -2.974 1.00 0.00 C ATOM 60 O SER A 33 -14.954 7.247 -2.200 1.00 0.00 O ATOM 61 CB SER A 33 -17.259 9.443 -1.833 1.00 0.00 C ATOM 62 OG SER A 33 -18.066 10.544 -2.215 1.00 0.00 O ATOM 0 H SER A 33 -17.096 10.572 -4.017 1.00 0.00 H new ATOM 0 HA SER A 33 -15.165 9.796 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.836 8.521 -1.912 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.967 9.548 -0.788 1.00 0.00 H new ATOM 0 HG SER A 33 -18.859 10.583 -1.641 1.00 0.00 H new ATOM 68 N SER A 34 -16.200 7.345 -4.070 1.00 0.00 N ATOM 69 CA SER A 34 -15.957 5.955 -4.436 1.00 0.00 C ATOM 70 C SER A 34 -14.504 5.747 -4.849 1.00 0.00 C ATOM 71 O SER A 34 -13.927 4.687 -4.610 1.00 0.00 O ATOM 72 CB SER A 34 -16.889 5.535 -5.574 1.00 0.00 C ATOM 73 OG SER A 34 -18.089 4.974 -5.070 1.00 0.00 O ATOM 0 H SER A 34 -16.798 7.854 -4.721 1.00 0.00 H new ATOM 0 HA SER A 34 -16.159 5.335 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.121 6.400 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.385 4.809 -6.212 1.00 0.00 H new ATOM 0 HG SER A 34 -18.668 4.715 -5.817 1.00 0.00 H new ATOM 79 N GLN A 35 -13.918 6.765 -5.470 1.00 0.00 N ATOM 80 CA GLN A 35 -12.532 6.691 -5.915 1.00 0.00 C ATOM 81 C GLN A 35 -11.582 6.682 -4.726 1.00 0.00 C ATOM 82 O GLN A 35 -10.617 5.919 -4.697 1.00 0.00 O ATOM 83 CB GLN A 35 -12.206 7.863 -6.840 1.00 0.00 C ATOM 84 CG GLN A 35 -10.763 7.884 -7.318 1.00 0.00 C ATOM 85 CD GLN A 35 -10.338 6.574 -7.954 1.00 0.00 C ATOM 86 OE1 GLN A 35 -9.812 5.665 -7.141 1.00 0.00 O flip ATOM 87 NE2 GLN A 35 -10.482 6.381 -9.161 1.00 0.00 N flip ATOM 0 H GLN A 35 -14.381 7.650 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.402 5.760 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.866 7.824 -7.707 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.420 8.796 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.635 8.692 -8.039 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.108 8.103 -6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.891 7.108 -9.748 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.192 5.494 -9.574 1.00 0.00 H new ATOM 96 N LEU A 36 -11.866 7.526 -3.738 1.00 0.00 N ATOM 97 CA LEU A 36 -11.036 7.599 -2.543 1.00 0.00 C ATOM 98 C LEU A 36 -10.869 6.212 -1.936 1.00 0.00 C ATOM 99 O LEU A 36 -9.755 5.776 -1.643 1.00 0.00 O ATOM 100 CB LEU A 36 -11.661 8.545 -1.514 1.00 0.00 C ATOM 101 CG LEU A 36 -11.248 10.012 -1.644 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.758 10.175 -1.384 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.614 10.547 -3.020 1.00 0.00 C ATOM 0 H LEU A 36 -12.661 8.165 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.057 7.986 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.746 8.481 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.396 8.197 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.789 10.590 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.484 11.226 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.525 9.831 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.196 9.585 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.313 11.592 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.100 9.965 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.691 10.468 -3.166 1.00 0.00 H new ATOM 115 N LEU A 37 -11.987 5.518 -1.763 1.00 0.00 N ATOM 116 CA LEU A 37 -11.970 4.176 -1.203 1.00 0.00 C ATOM 117 C LEU A 37 -11.607 3.141 -2.269 1.00 0.00 C ATOM 118 O LEU A 37 -11.238 2.013 -1.947 1.00 0.00 O ATOM 119 CB LEU A 37 -13.325 3.840 -0.574 1.00 0.00 C ATOM 120 CG LEU A 37 -14.442 3.509 -1.566 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.482 2.013 -1.841 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.784 3.994 -1.037 1.00 0.00 C ATOM 0 H LEU A 37 -12.916 5.864 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.207 4.145 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.195 2.992 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.643 4.685 0.037 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.237 4.025 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.282 1.794 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.528 1.695 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.665 1.477 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.567 3.751 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.998 3.506 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.749 5.074 -0.891 1.00 0.00 H new ATOM 134 N SER A 38 -11.708 3.528 -3.540 1.00 0.00 N ATOM 135 CA SER A 38 -11.380 2.619 -4.631 1.00 0.00 C ATOM 136 C SER A 38 -9.890 2.298 -4.636 1.00 0.00 C ATOM 137 O SER A 38 -9.477 1.227 -5.082 1.00 0.00 O ATOM 138 CB SER A 38 -11.782 3.230 -5.972 1.00 0.00 C ATOM 139 OG SER A 38 -11.386 2.401 -7.051 1.00 0.00 O ATOM 0 H SER A 38 -12.011 4.456 -3.835 1.00 0.00 H new ATOM 0 HA SER A 38 -11.937 1.694 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.862 3.376 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.325 4.214 -6.078 1.00 0.00 H new ATOM 0 HG SER A 38 -11.657 2.814 -7.897 1.00 0.00 H new ATOM 145 N VAL A 39 -9.086 3.233 -4.137 1.00 0.00 N ATOM 146 CA VAL A 39 -7.644 3.047 -4.087 1.00 0.00 C ATOM 147 C VAL A 39 -7.215 2.413 -2.770 1.00 0.00 C ATOM 148 O VAL A 39 -6.321 1.569 -2.742 1.00 0.00 O ATOM 149 CB VAL A 39 -6.897 4.379 -4.279 1.00 0.00 C ATOM 150 CG1 VAL A 39 -6.957 4.816 -5.733 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.469 5.451 -3.366 1.00 0.00 C ATOM 0 H VAL A 39 -9.411 4.125 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.384 2.377 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.851 4.231 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.424 5.759 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.493 4.056 -6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.997 4.947 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.927 6.385 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.523 5.602 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.367 5.137 -2.327 1.00 0.00 H new ATOM 161 N ARG A 40 -7.862 2.810 -1.678 1.00 0.00 N ATOM 162 CA ARG A 40 -7.534 2.251 -0.372 1.00 0.00 C ATOM 163 C ARG A 40 -7.875 0.765 -0.337 1.00 0.00 C ATOM 164 O ARG A 40 -7.277 -0.003 0.416 1.00 0.00 O ATOM 165 CB ARG A 40 -8.272 2.999 0.745 1.00 0.00 C ATOM 166 CG ARG A 40 -9.761 2.684 0.829 1.00 0.00 C ATOM 167 CD ARG A 40 -10.040 1.430 1.648 1.00 0.00 C ATOM 168 NE ARG A 40 -9.200 1.346 2.841 1.00 0.00 N ATOM 169 CZ ARG A 40 -9.544 1.834 4.032 1.00 0.00 C ATOM 170 NH1 ARG A 40 -10.708 2.453 4.196 1.00 0.00 N ATOM 171 NH2 ARG A 40 -8.720 1.707 5.063 1.00 0.00 N ATOM 0 H ARG A 40 -8.607 3.507 -1.671 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.463 2.370 -0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.806 2.755 1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.147 4.071 0.594 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.285 3.530 1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.160 2.555 -0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.089 1.418 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.874 0.549 1.027 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.294 0.885 2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.346 2.557 3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.964 2.824 5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.823 1.236 4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.983 2.080 5.975 1.00 0.00 H new ATOM 185 N HIS A 41 -8.836 0.367 -1.166 1.00 0.00 N ATOM 186 CA HIS A 41 -9.253 -1.026 -1.240 1.00 0.00 C ATOM 187 C HIS A 41 -8.342 -1.807 -2.182 1.00 0.00 C ATOM 188 O HIS A 41 -8.064 -2.985 -1.959 1.00 0.00 O ATOM 189 CB HIS A 41 -10.703 -1.122 -1.718 1.00 0.00 C ATOM 190 CG HIS A 41 -11.707 -1.068 -0.607 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.250 -0.014 0.047 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.272 -2.195 -0.048 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.124 -0.519 0.978 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.119 -1.837 0.900 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.340 0.992 -1.796 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.180 -1.459 -0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.901 -0.308 -2.415 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.834 -2.053 -2.269 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -12.048 0.972 -0.121 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.056 -3.212 -0.340 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.719 0.067 1.663 1.00 0.00 H new ATOM 203 N GLN A 42 -7.881 -1.142 -3.239 1.00 0.00 N ATOM 204 CA GLN A 42 -7.004 -1.776 -4.216 1.00 0.00 C ATOM 205 C GLN A 42 -5.562 -1.827 -3.712 1.00 0.00 C ATOM 206 O GLN A 42 -4.839 -2.788 -3.977 1.00 0.00 O ATOM 207 CB GLN A 42 -7.078 -1.041 -5.562 1.00 0.00 C ATOM 208 CG GLN A 42 -6.195 0.196 -5.650 1.00 0.00 C ATOM 209 CD GLN A 42 -4.849 -0.094 -6.285 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.322 -1.201 -6.172 1.00 0.00 O ATOM 211 NE2 GLN A 42 -4.284 0.902 -6.958 1.00 0.00 N ATOM 0 H GLN A 42 -8.101 -0.166 -3.439 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.346 -2.801 -4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.795 -1.732 -6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.112 -0.749 -5.747 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.708 0.964 -6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.041 0.600 -4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.756 1.804 -7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.378 0.765 -7.406 1.00 0.00 H new ATOM 220 N LEU A 43 -5.147 -0.790 -2.987 1.00 0.00 N ATOM 221 CA LEU A 43 -3.790 -0.732 -2.456 1.00 0.00 C ATOM 222 C LEU A 43 -3.613 -1.719 -1.307 1.00 0.00 C ATOM 223 O LEU A 43 -2.833 -2.666 -1.403 1.00 0.00 O ATOM 224 CB LEU A 43 -3.459 0.688 -1.976 1.00 0.00 C ATOM 225 CG LEU A 43 -2.011 1.165 -2.197 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.440 1.757 -0.918 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.116 0.037 -2.698 1.00 0.00 C ATOM 0 H LEU A 43 -5.728 0.016 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.105 -1.004 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.129 1.384 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.680 0.749 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.037 1.938 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.417 2.088 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.048 2.607 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.446 1.001 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.103 0.413 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.103 -0.770 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.501 -0.340 -3.646 1.00 0.00 H new ATOM 239 N ALA A 44 -4.342 -1.487 -0.219 1.00 0.00 N ATOM 240 CA ALA A 44 -4.268 -2.353 0.955 1.00 0.00 C ATOM 241 C ALA A 44 -4.399 -3.825 0.573 1.00 0.00 C ATOM 242 O ALA A 44 -3.744 -4.688 1.158 1.00 0.00 O ATOM 243 CB ALA A 44 -5.347 -1.972 1.959 1.00 0.00 C ATOM 0 H ALA A 44 -4.991 -0.706 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.288 -2.213 1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.281 -2.625 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.205 -0.937 2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.328 -2.081 1.497 1.00 0.00 H new ATOM 249 N GLU A 45 -5.249 -4.104 -0.411 1.00 0.00 N ATOM 250 CA GLU A 45 -5.463 -5.473 -0.868 1.00 0.00 C ATOM 251 C GLU A 45 -4.157 -6.101 -1.344 1.00 0.00 C ATOM 252 O GLU A 45 -3.824 -7.224 -0.968 1.00 0.00 O ATOM 253 CB GLU A 45 -6.495 -5.499 -1.997 1.00 0.00 C ATOM 254 CG GLU A 45 -7.923 -5.689 -1.511 1.00 0.00 C ATOM 255 CD GLU A 45 -8.934 -5.646 -2.640 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.932 -6.575 -3.475 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.728 -4.684 -2.689 1.00 0.00 O ATOM 0 H GLU A 45 -5.799 -3.402 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.838 -6.055 -0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.432 -4.566 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.245 -6.304 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.002 -6.645 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.162 -4.912 -0.785 1.00 0.00 H new ATOM 264 N SER A 46 -3.421 -5.368 -2.173 1.00 0.00 N ATOM 265 CA SER A 46 -2.150 -5.854 -2.699 1.00 0.00 C ATOM 266 C SER A 46 -1.039 -5.711 -1.663 1.00 0.00 C ATOM 267 O SER A 46 -0.072 -6.473 -1.669 1.00 0.00 O ATOM 268 CB SER A 46 -1.778 -5.093 -3.973 1.00 0.00 C ATOM 269 OG SER A 46 -1.208 -5.961 -4.937 1.00 0.00 O ATOM 0 H SER A 46 -3.682 -4.436 -2.495 1.00 0.00 H new ATOM 0 HA SER A 46 -2.265 -6.912 -2.936 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.666 -4.616 -4.388 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.072 -4.298 -3.733 1.00 0.00 H new ATOM 0 HG SER A 46 -0.981 -5.451 -5.742 1.00 0.00 H new ATOM 275 N ALA A 47 -1.184 -4.733 -0.775 1.00 0.00 N ATOM 276 CA ALA A 47 -0.193 -4.495 0.265 1.00 0.00 C ATOM 277 C ALA A 47 -0.126 -5.675 1.233 1.00 0.00 C ATOM 278 O ALA A 47 -0.617 -6.761 0.930 1.00 0.00 O ATOM 279 CB ALA A 47 -0.511 -3.201 1.009 1.00 0.00 C ATOM 0 H ALA A 47 -1.978 -4.093 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 47 0.785 -4.393 -0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.237 -3.034 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.500 -2.366 0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.497 -3.277 1.467 1.00 0.00 H new ATOM 285 N GLY A 48 0.484 -5.443 2.395 1.00 0.00 N ATOM 286 CA GLY A 48 0.624 -6.476 3.420 1.00 0.00 C ATOM 287 C GLY A 48 0.807 -7.883 2.868 1.00 0.00 C ATOM 288 O GLY A 48 -0.155 -8.524 2.445 1.00 0.00 O ATOM 0 H GLY A 48 0.891 -4.543 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.478 -6.232 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.259 -6.460 4.058 1.00 0.00 H new ATOM 292 N LEU A 49 2.048 -8.371 2.890 1.00 0.00 N ATOM 293 CA LEU A 49 2.359 -9.715 2.402 1.00 0.00 C ATOM 294 C LEU A 49 1.417 -10.746 3.027 1.00 0.00 C ATOM 295 O LEU A 49 0.758 -10.465 4.028 1.00 0.00 O ATOM 296 CB LEU A 49 3.815 -10.078 2.727 1.00 0.00 C ATOM 297 CG LEU A 49 4.861 -9.687 1.671 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.420 -10.110 0.276 1.00 0.00 C ATOM 299 CD2 LEU A 49 5.139 -8.191 1.712 1.00 0.00 C ATOM 0 H LEU A 49 2.855 -7.855 3.241 1.00 0.00 H new ATOM 0 HA LEU A 49 2.223 -9.724 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.085 -9.602 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.873 -11.155 2.885 1.00 0.00 H new ATOM 0 HG LEU A 49 5.784 -10.215 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.180 -9.820 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.286 -11.191 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.477 -9.622 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.882 -7.938 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.218 -7.644 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.517 -7.918 2.697 1.00 0.00 H new ATOM 311 N PRO A 50 1.338 -11.956 2.444 1.00 0.00 N ATOM 312 CA PRO A 50 0.468 -13.018 2.956 1.00 0.00 C ATOM 313 C PRO A 50 0.952 -13.578 4.296 1.00 0.00 C ATOM 314 O PRO A 50 0.527 -13.116 5.355 1.00 0.00 O ATOM 315 CB PRO A 50 0.513 -14.085 1.858 1.00 0.00 C ATOM 316 CG PRO A 50 1.797 -13.851 1.139 1.00 0.00 C ATOM 317 CD PRO A 50 2.086 -12.378 1.246 1.00 0.00 C ATOM 0 HA PRO A 50 -0.539 -12.656 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.476 -15.088 2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.338 -13.993 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.602 -14.437 1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.718 -14.156 0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.154 -12.187 1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.754 -11.840 0.358 1.00 0.00 H new ATOM 325 N ARG A 51 1.839 -14.573 4.253 1.00 0.00 N ATOM 326 CA ARG A 51 2.363 -15.177 5.474 1.00 0.00 C ATOM 327 C ARG A 51 3.798 -15.657 5.278 1.00 0.00 C ATOM 328 O ARG A 51 4.731 -15.114 5.869 1.00 0.00 O ATOM 329 CB ARG A 51 1.477 -16.346 5.910 1.00 0.00 C ATOM 330 CG ARG A 51 1.441 -16.551 7.416 1.00 0.00 C ATOM 331 CD ARG A 51 2.580 -17.443 7.883 1.00 0.00 C ATOM 332 NE ARG A 51 2.191 -18.278 9.017 1.00 0.00 N ATOM 333 CZ ARG A 51 1.463 -19.387 8.905 1.00 0.00 C ATOM 334 NH1 ARG A 51 1.044 -19.797 7.714 1.00 0.00 N ATOM 335 NH2 ARG A 51 1.154 -20.088 9.987 1.00 0.00 N ATOM 0 H ARG A 51 2.207 -14.974 3.390 1.00 0.00 H new ATOM 0 HA ARG A 51 2.360 -14.415 6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.462 -16.176 5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.835 -17.260 5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.504 -15.585 7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.488 -16.996 7.701 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.904 -18.079 7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.433 -16.825 8.163 1.00 0.00 H new ATOM 0 HE ARG A 51 2.495 -17.995 9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.280 -19.262 6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.487 -20.647 7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.474 -19.778 10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.596 -20.938 9.902 1.00 0.00 H new ATOM 349 N ASP A 52 3.967 -16.683 4.448 1.00 0.00 N ATOM 350 CA ASP A 52 5.287 -17.242 4.176 1.00 0.00 C ATOM 351 C ASP A 52 6.242 -16.170 3.661 1.00 0.00 C ATOM 352 O ASP A 52 7.426 -16.164 3.999 1.00 0.00 O ATOM 353 CB ASP A 52 5.181 -18.378 3.158 1.00 0.00 C ATOM 354 CG ASP A 52 4.359 -19.543 3.673 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.918 -20.386 4.405 1.00 0.00 O ATOM 356 OD2 ASP A 52 3.155 -19.612 3.345 1.00 0.00 O ATOM 0 H ASP A 52 3.205 -17.144 3.952 1.00 0.00 H new ATOM 0 HA ASP A 52 5.685 -17.635 5.111 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.732 -17.998 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.181 -18.728 2.903 1.00 0.00 H new ATOM 361 N GLN A 53 5.720 -15.264 2.840 1.00 0.00 N ATOM 362 CA GLN A 53 6.525 -14.186 2.276 1.00 0.00 C ATOM 363 C GLN A 53 7.219 -13.383 3.375 1.00 0.00 C ATOM 364 O GLN A 53 8.262 -12.772 3.143 1.00 0.00 O ATOM 365 CB GLN A 53 5.650 -13.264 1.424 1.00 0.00 C ATOM 366 CG GLN A 53 5.917 -13.382 -0.069 1.00 0.00 C ATOM 367 CD GLN A 53 4.744 -13.972 -0.827 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.210 -15.016 -0.453 1.00 0.00 O ATOM 369 NE2 GLN A 53 4.338 -13.304 -1.901 1.00 0.00 N ATOM 0 H GLN A 53 4.742 -15.255 2.550 1.00 0.00 H new ATOM 0 HA GLN A 53 7.294 -14.633 1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.602 -13.491 1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.814 -12.232 1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.146 -12.396 -0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.798 -14.004 -0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.810 -12.442 -2.174 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.554 -13.653 -2.452 1.00 0.00 H new ATOM 378 N HIS A 54 6.634 -13.387 4.569 1.00 0.00 N ATOM 379 CA HIS A 54 7.201 -12.657 5.697 1.00 0.00 C ATOM 380 C HIS A 54 8.307 -13.464 6.370 1.00 0.00 C ATOM 381 O HIS A 54 9.339 -12.918 6.761 1.00 0.00 O ATOM 382 CB HIS A 54 6.113 -12.318 6.717 1.00 0.00 C ATOM 383 CG HIS A 54 6.618 -11.531 7.887 1.00 0.00 C ATOM 384 ND1 HIS A 54 7.550 -12.022 8.778 1.00 0.00 N ATOM 385 CD2 HIS A 54 6.322 -10.278 8.307 1.00 0.00 C ATOM 386 CE1 HIS A 54 7.806 -11.106 9.694 1.00 0.00 C ATOM 387 NE2 HIS A 54 7.075 -10.039 9.431 1.00 0.00 N ATOM 0 H HIS A 54 5.770 -13.886 4.780 1.00 0.00 H new ATOM 0 HA HIS A 54 7.631 -11.732 5.314 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.324 -11.752 6.221 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.663 -13.243 7.078 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.625 -9.595 7.845 1.00 0.00 H new ATOM 0 HE1 HIS A 54 8.496 -11.212 10.518 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.070 -9.176 9.975 1.00 0.00 H new ATOM 396 N GLU A 55 8.081 -14.766 6.508 1.00 0.00 N ATOM 397 CA GLU A 55 9.054 -15.651 7.140 1.00 0.00 C ATOM 398 C GLU A 55 10.408 -15.588 6.436 1.00 0.00 C ATOM 399 O GLU A 55 11.433 -15.942 7.017 1.00 0.00 O ATOM 400 CB GLU A 55 8.536 -17.091 7.141 1.00 0.00 C ATOM 401 CG GLU A 55 7.177 -17.248 7.804 1.00 0.00 C ATOM 402 CD GLU A 55 6.932 -18.658 8.305 1.00 0.00 C ATOM 403 OE1 GLU A 55 7.684 -19.111 9.194 1.00 0.00 O ATOM 404 OE2 GLU A 55 5.989 -19.309 7.809 1.00 0.00 O ATOM 0 H GLU A 55 7.232 -15.233 6.190 1.00 0.00 H new ATOM 0 HA GLU A 55 9.191 -15.314 8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.472 -17.446 6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.257 -17.727 7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.102 -16.551 8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.396 -16.978 7.093 1.00 0.00 H new ATOM 411 N PHE A 56 10.407 -15.143 5.183 1.00 0.00 N ATOM 412 CA PHE A 56 11.640 -15.045 4.410 1.00 0.00 C ATOM 413 C PHE A 56 12.203 -13.624 4.440 1.00 0.00 C ATOM 414 O PHE A 56 13.385 -13.422 4.711 1.00 0.00 O ATOM 415 CB PHE A 56 11.387 -15.493 2.961 1.00 0.00 C ATOM 416 CG PHE A 56 12.183 -14.737 1.930 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.568 -14.801 1.919 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.545 -13.961 0.976 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.300 -14.106 0.976 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.272 -13.264 0.030 1.00 0.00 C ATOM 421 CZ PHE A 56 13.651 -13.336 0.031 1.00 0.00 C ATOM 0 H PHE A 56 9.569 -14.846 4.683 1.00 0.00 H new ATOM 0 HA PHE A 56 12.381 -15.704 4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.619 -16.555 2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.326 -15.380 2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 56 14.080 -15.401 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.467 -13.900 0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.378 -14.165 0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.762 -12.664 -0.709 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.221 -12.791 -0.706 1.00 0.00 H new ATOM 431 N VAL A 57 11.354 -12.647 4.142 1.00 0.00 N ATOM 432 CA VAL A 57 11.773 -11.248 4.114 1.00 0.00 C ATOM 433 C VAL A 57 12.175 -10.726 5.496 1.00 0.00 C ATOM 434 O VAL A 57 12.714 -9.626 5.610 1.00 0.00 O ATOM 435 CB VAL A 57 10.663 -10.344 3.540 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.441 -10.344 4.447 1.00 0.00 C ATOM 437 CG2 VAL A 57 11.181 -8.929 3.328 1.00 0.00 C ATOM 0 H VAL A 57 10.371 -12.797 3.916 1.00 0.00 H new ATOM 0 HA VAL A 57 12.649 -11.212 3.467 1.00 0.00 H new ATOM 0 HB VAL A 57 10.363 -10.745 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.672 -9.700 4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.055 -11.359 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.720 -9.973 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.383 -8.306 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.514 -8.517 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.017 -8.949 2.629 1.00 0.00 H new ATOM 447 N SER A 58 11.908 -11.502 6.544 1.00 0.00 N ATOM 448 CA SER A 58 12.246 -11.076 7.900 1.00 0.00 C ATOM 449 C SER A 58 13.174 -12.068 8.597 1.00 0.00 C ATOM 450 O SER A 58 14.065 -11.672 9.348 1.00 0.00 O ATOM 451 CB SER A 58 10.971 -10.894 8.726 1.00 0.00 C ATOM 452 OG SER A 58 11.265 -10.367 10.008 1.00 0.00 O ATOM 0 H SER A 58 11.464 -12.418 6.483 1.00 0.00 H new ATOM 0 HA SER A 58 12.774 -10.126 7.821 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.287 -10.226 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.462 -11.852 8.831 1.00 0.00 H new ATOM 0 HG SER A 58 10.432 -10.110 10.455 1.00 0.00 H new ATOM 458 N SER A 59 12.952 -13.357 8.362 1.00 0.00 N ATOM 459 CA SER A 59 13.764 -14.395 8.990 1.00 0.00 C ATOM 460 C SER A 59 14.954 -14.805 8.121 1.00 0.00 C ATOM 461 O SER A 59 15.828 -15.543 8.574 1.00 0.00 O ATOM 462 CB SER A 59 12.903 -15.622 9.297 1.00 0.00 C ATOM 463 OG SER A 59 13.260 -16.198 10.541 1.00 0.00 O ATOM 0 H SER A 59 12.220 -13.708 7.744 1.00 0.00 H new ATOM 0 HA SER A 59 14.160 -13.978 9.916 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.851 -15.337 9.313 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.021 -16.360 8.504 1.00 0.00 H new ATOM 0 HG SER A 59 12.694 -16.979 10.714 1.00 0.00 H new ATOM 469 N GLN A 60 14.986 -14.341 6.875 1.00 0.00 N ATOM 470 CA GLN A 60 16.079 -14.692 5.970 1.00 0.00 C ATOM 471 C GLN A 60 16.669 -13.461 5.287 1.00 0.00 C ATOM 472 O GLN A 60 17.844 -13.143 5.470 1.00 0.00 O ATOM 473 CB GLN A 60 15.587 -15.683 4.915 1.00 0.00 C ATOM 474 CG GLN A 60 15.388 -17.092 5.450 1.00 0.00 C ATOM 475 CD GLN A 60 15.777 -18.157 4.444 1.00 0.00 C ATOM 476 OE1 GLN A 60 16.528 -19.081 4.758 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.266 -18.033 3.224 1.00 0.00 N ATOM 0 H GLN A 60 14.277 -13.728 6.471 1.00 0.00 H new ATOM 0 HA GLN A 60 16.866 -15.151 6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.644 -15.323 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 60 16.304 -15.713 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.980 -17.220 6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.343 -17.226 5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.648 -17.251 3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.492 -18.719 2.504 1.00 0.00 H new ATOM 486 N ALA A 61 15.850 -12.783 4.486 1.00 0.00 N ATOM 487 CA ALA A 61 16.285 -11.594 3.754 1.00 0.00 C ATOM 488 C ALA A 61 17.164 -10.680 4.610 1.00 0.00 C ATOM 489 O ALA A 61 17.032 -10.642 5.833 1.00 0.00 O ATOM 490 CB ALA A 61 15.078 -10.827 3.237 1.00 0.00 C ATOM 0 H ALA A 61 14.875 -13.038 4.326 1.00 0.00 H new ATOM 0 HA ALA A 61 16.889 -11.932 2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.414 -9.944 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.500 -11.466 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.454 -10.521 4.077 1.00 0.00 H new ATOM 496 N PRO A 62 18.078 -9.931 3.966 1.00 0.00 N ATOM 497 CA PRO A 62 18.987 -9.014 4.662 1.00 0.00 C ATOM 498 C PRO A 62 18.277 -7.767 5.179 1.00 0.00 C ATOM 499 O PRO A 62 17.189 -7.423 4.716 1.00 0.00 O ATOM 500 CB PRO A 62 20.002 -8.639 3.582 1.00 0.00 C ATOM 501 CG PRO A 62 19.258 -8.784 2.301 1.00 0.00 C ATOM 502 CD PRO A 62 18.298 -9.923 2.506 1.00 0.00 C ATOM 0 HA PRO A 62 19.429 -9.474 5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.365 -7.620 3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.872 -9.294 3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.726 -7.866 2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.939 -8.991 1.476 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.367 -9.766 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.716 -10.868 2.158 1.00 0.00 H new ATOM 510 N GLN A 63 18.900 -7.095 6.144 1.00 0.00 N ATOM 511 CA GLN A 63 18.334 -5.883 6.733 1.00 0.00 C ATOM 512 C GLN A 63 17.817 -4.931 5.656 1.00 0.00 C ATOM 513 O GLN A 63 16.744 -4.346 5.798 1.00 0.00 O ATOM 514 CB GLN A 63 19.383 -5.175 7.593 1.00 0.00 C ATOM 515 CG GLN A 63 18.874 -3.904 8.253 1.00 0.00 C ATOM 516 CD GLN A 63 19.722 -3.484 9.438 1.00 0.00 C ATOM 517 OE1 GLN A 63 19.907 -4.248 10.385 1.00 0.00 O ATOM 518 NE2 GLN A 63 20.241 -2.263 9.390 1.00 0.00 N ATOM 0 H GLN A 63 19.800 -7.370 6.536 1.00 0.00 H new ATOM 0 HA GLN A 63 17.492 -6.177 7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.730 -5.861 8.365 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.245 -4.931 6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.858 -3.099 7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.846 -4.056 8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 63 20.061 -1.664 8.584 1.00 0.00 H new ATOM 0 HE22 GLN A 63 20.820 -1.924 10.159 1.00 0.00 H new ATOM 527 N SER A 64 18.586 -4.782 4.581 1.00 0.00 N ATOM 528 CA SER A 64 18.201 -3.901 3.481 1.00 0.00 C ATOM 529 C SER A 64 16.818 -4.265 2.952 1.00 0.00 C ATOM 530 O SER A 64 16.043 -3.395 2.551 1.00 0.00 O ATOM 531 CB SER A 64 19.229 -3.982 2.350 1.00 0.00 C ATOM 532 OG SER A 64 20.534 -4.191 2.859 1.00 0.00 O ATOM 0 H SER A 64 19.478 -5.259 4.448 1.00 0.00 H new ATOM 0 HA SER A 64 18.169 -2.880 3.861 1.00 0.00 H new ATOM 0 HB2 SER A 64 18.965 -4.794 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.206 -3.061 1.767 1.00 0.00 H new ATOM 0 HG SER A 64 21.171 -4.241 2.116 1.00 0.00 H new ATOM 538 N LEU A 65 16.513 -5.557 2.959 1.00 0.00 N ATOM 539 CA LEU A 65 15.223 -6.040 2.487 1.00 0.00 C ATOM 540 C LEU A 65 14.165 -5.914 3.579 1.00 0.00 C ATOM 541 O LEU A 65 12.980 -5.749 3.295 1.00 0.00 O ATOM 542 CB LEU A 65 15.337 -7.498 2.035 1.00 0.00 C ATOM 543 CG LEU A 65 14.538 -7.853 0.781 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.060 -7.566 0.993 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.067 -7.087 -0.422 1.00 0.00 C ATOM 0 H LEU A 65 17.143 -6.289 3.287 1.00 0.00 H new ATOM 0 HA LEU A 65 14.919 -5.427 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.388 -7.725 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.008 -8.142 2.851 1.00 0.00 H new ATOM 0 HG LEU A 65 14.655 -8.919 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.506 -7.824 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.690 -8.160 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.923 -6.507 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.487 -7.352 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.980 -6.016 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.114 -7.343 -0.585 1.00 0.00 H new ATOM 557 N ARG A 66 14.605 -5.999 4.831 1.00 0.00 N ATOM 558 CA ARG A 66 13.699 -5.900 5.970 1.00 0.00 C ATOM 559 C ARG A 66 13.290 -4.453 6.236 1.00 0.00 C ATOM 560 O ARG A 66 12.102 -4.143 6.323 1.00 0.00 O ATOM 561 CB ARG A 66 14.355 -6.494 7.217 1.00 0.00 C ATOM 562 CG ARG A 66 14.697 -7.968 7.078 1.00 0.00 C ATOM 563 CD ARG A 66 15.753 -8.393 8.086 1.00 0.00 C ATOM 564 NE ARG A 66 15.965 -9.838 8.081 1.00 0.00 N ATOM 565 CZ ARG A 66 16.889 -10.453 8.815 1.00 0.00 C ATOM 566 NH1 ARG A 66 17.686 -9.753 9.613 1.00 0.00 N ATOM 567 NH2 ARG A 66 17.017 -11.771 8.751 1.00 0.00 N ATOM 0 H ARG A 66 15.584 -6.136 5.082 1.00 0.00 H new ATOM 0 HA ARG A 66 12.799 -6.465 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.265 -5.937 7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.686 -6.363 8.067 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.797 -8.566 7.219 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.056 -8.165 6.068 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.693 -7.888 7.861 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.451 -8.075 9.084 1.00 0.00 H new ATOM 0 HE ARG A 66 15.370 -10.409 7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.592 -8.739 9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.393 -10.229 10.174 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.407 -12.313 8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.725 -12.243 9.314 1.00 0.00 H new ATOM 581 N ASN A 67 14.275 -3.571 6.372 1.00 0.00 N ATOM 582 CA ASN A 67 14.000 -2.163 6.637 1.00 0.00 C ATOM 583 C ASN A 67 13.160 -1.548 5.520 1.00 0.00 C ATOM 584 O ASN A 67 12.303 -0.701 5.773 1.00 0.00 O ATOM 585 CB ASN A 67 15.303 -1.378 6.811 1.00 0.00 C ATOM 586 CG ASN A 67 16.303 -1.653 5.707 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.947 -2.153 4.641 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.565 -1.326 5.958 1.00 0.00 N ATOM 0 H ASN A 67 15.266 -3.804 6.304 1.00 0.00 H new ATOM 0 HA ASN A 67 13.432 -2.105 7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.079 -0.311 6.836 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.750 -1.632 7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.284 -1.487 5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.816 -0.913 6.856 1.00 0.00 H new ATOM 595 N ARG A 68 13.404 -1.980 4.286 1.00 0.00 N ATOM 596 CA ARG A 68 12.659 -1.467 3.142 1.00 0.00 C ATOM 597 C ARG A 68 11.231 -2.008 3.139 1.00 0.00 C ATOM 598 O ARG A 68 10.314 -1.362 2.635 1.00 0.00 O ATOM 599 CB ARG A 68 13.365 -1.834 1.834 1.00 0.00 C ATOM 600 CG ARG A 68 13.297 -3.315 1.495 1.00 0.00 C ATOM 601 CD ARG A 68 13.830 -3.593 0.097 1.00 0.00 C ATOM 602 NE ARG A 68 12.923 -4.436 -0.676 1.00 0.00 N ATOM 603 CZ ARG A 68 13.045 -4.654 -1.984 1.00 0.00 C ATOM 604 NH1 ARG A 68 14.032 -4.090 -2.668 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.176 -5.437 -2.609 1.00 0.00 N ATOM 0 H ARG A 68 14.108 -2.680 4.054 1.00 0.00 H new ATOM 0 HA ARG A 68 12.617 -0.381 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.920 -1.263 1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.411 -1.533 1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.874 -3.883 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.265 -3.659 1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.983 -2.650 -0.427 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.803 -4.079 0.170 1.00 0.00 H new ATOM 0 HE ARG A 68 12.150 -4.885 -0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.702 -3.486 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.121 -4.260 -3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.415 -5.872 -2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.269 -5.604 -3.611 1.00 0.00 H new ATOM 619 N TYR A 69 11.052 -3.197 3.709 1.00 0.00 N ATOM 620 CA TYR A 69 9.737 -3.829 3.777 1.00 0.00 C ATOM 621 C TYR A 69 8.730 -2.918 4.474 1.00 0.00 C ATOM 622 O TYR A 69 7.716 -2.534 3.891 1.00 0.00 O ATOM 623 CB TYR A 69 9.837 -5.168 4.518 1.00 0.00 C ATOM 624 CG TYR A 69 8.514 -5.884 4.691 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.550 -5.404 5.569 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.234 -7.047 3.983 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.345 -6.059 5.734 1.00 0.00 C ATOM 628 CE2 TYR A 69 7.032 -7.708 4.144 1.00 0.00 C ATOM 629 CZ TYR A 69 6.091 -7.211 5.020 1.00 0.00 C ATOM 630 OH TYR A 69 4.892 -7.867 5.184 1.00 0.00 O ATOM 0 H TYR A 69 11.803 -3.743 4.131 1.00 0.00 H new ATOM 0 HA TYR A 69 9.389 -4.007 2.760 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.522 -5.820 3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.274 -4.994 5.501 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.746 -4.503 6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.968 -7.440 3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.606 -5.671 6.419 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.830 -8.610 3.586 1.00 0.00 H new ATOM 0 HH TYR A 69 4.194 -7.219 5.415 1.00 0.00 H new ATOM 640 N ASN A 70 9.018 -2.577 5.726 1.00 0.00 N ATOM 641 CA ASN A 70 8.138 -1.713 6.505 1.00 0.00 C ATOM 642 C ASN A 70 8.187 -0.275 5.997 1.00 0.00 C ATOM 643 O ASN A 70 7.217 0.471 6.125 1.00 0.00 O ATOM 644 CB ASN A 70 8.528 -1.756 7.983 1.00 0.00 C ATOM 645 CG ASN A 70 8.280 -3.115 8.607 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.229 -3.722 8.403 1.00 0.00 O ATOM 647 ND2 ASN A 70 9.251 -3.601 9.372 1.00 0.00 N ATOM 0 H ASN A 70 9.854 -2.886 6.223 1.00 0.00 H new ATOM 0 HA ASN A 70 7.119 -2.082 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.582 -1.499 8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.962 -1.000 8.528 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.142 -4.512 9.818 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.106 -3.063 9.514 1.00 0.00 H new ATOM 654 N ASN A 71 9.323 0.110 5.424 1.00 0.00 N ATOM 655 CA ASN A 71 9.496 1.461 4.901 1.00 0.00 C ATOM 656 C ASN A 71 8.447 1.775 3.839 1.00 0.00 C ATOM 657 O ASN A 71 7.612 2.663 4.018 1.00 0.00 O ATOM 658 CB ASN A 71 10.898 1.627 4.313 1.00 0.00 C ATOM 659 CG ASN A 71 11.200 3.065 3.937 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.512 3.891 4.795 1.00 0.00 O ATOM 661 ND2 ASN A 71 11.109 3.371 2.648 1.00 0.00 N ATOM 0 H ASN A 71 10.137 -0.494 5.310 1.00 0.00 H new ATOM 0 HA ASN A 71 9.370 2.161 5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.636 1.281 5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.996 0.995 3.430 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.301 4.323 2.335 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.847 2.654 1.971 1.00 0.00 H new ATOM 668 N LEU A 72 8.497 1.043 2.730 1.00 0.00 N ATOM 669 CA LEU A 72 7.553 1.247 1.638 1.00 0.00 C ATOM 670 C LEU A 72 6.113 1.121 2.127 1.00 0.00 C ATOM 671 O LEU A 72 5.207 1.755 1.587 1.00 0.00 O ATOM 672 CB LEU A 72 7.816 0.247 0.509 1.00 0.00 C ATOM 673 CG LEU A 72 7.756 -1.227 0.917 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.313 -1.678 1.077 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.478 -2.091 -0.108 1.00 0.00 C ATOM 0 H LEU A 72 9.181 0.304 2.565 1.00 0.00 H new ATOM 0 HA LEU A 72 7.696 2.257 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.087 0.418 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.800 0.451 0.087 1.00 0.00 H new ATOM 0 HG LEU A 72 8.258 -1.341 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.290 -2.728 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.828 -1.078 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.785 -1.551 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.426 -3.136 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.004 -1.973 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.522 -1.783 -0.173 1.00 0.00 H new ATOM 687 N TYR A 73 5.906 0.303 3.156 1.00 0.00 N ATOM 688 CA TYR A 73 4.571 0.107 3.709 1.00 0.00 C ATOM 689 C TYR A 73 4.178 1.272 4.609 1.00 0.00 C ATOM 690 O TYR A 73 3.015 1.672 4.646 1.00 0.00 O ATOM 691 CB TYR A 73 4.490 -1.204 4.493 1.00 0.00 C ATOM 692 CG TYR A 73 3.075 -1.596 4.861 1.00 0.00 C ATOM 693 CD1 TYR A 73 2.033 -1.434 3.955 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.781 -2.126 6.110 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.740 -1.788 4.282 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.488 -2.485 6.446 1.00 0.00 C ATOM 697 CZ TYR A 73 0.472 -2.313 5.529 1.00 0.00 C ATOM 698 OH TYR A 73 -0.816 -2.669 5.860 1.00 0.00 O ATOM 0 H TYR A 73 6.641 -0.231 3.620 1.00 0.00 H new ATOM 0 HA TYR A 73 3.873 0.059 2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.938 -2.002 3.900 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.082 -1.112 5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.239 -1.024 2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.574 -2.260 6.831 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.057 -1.655 3.566 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.275 -2.898 7.421 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.833 -3.023 6.774 1.00 0.00 H new ATOM 708 N SER A 74 5.153 1.818 5.332 1.00 0.00 N ATOM 709 CA SER A 74 4.898 2.943 6.227 1.00 0.00 C ATOM 710 C SER A 74 4.115 4.032 5.503 1.00 0.00 C ATOM 711 O SER A 74 3.156 4.586 6.042 1.00 0.00 O ATOM 712 CB SER A 74 6.212 3.512 6.759 1.00 0.00 C ATOM 713 OG SER A 74 6.615 2.847 7.944 1.00 0.00 O ATOM 0 H SER A 74 6.122 1.501 5.316 1.00 0.00 H new ATOM 0 HA SER A 74 4.305 2.583 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.988 3.412 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.096 4.577 6.958 1.00 0.00 H new ATOM 0 HG SER A 74 6.894 1.933 7.727 1.00 0.00 H new ATOM 719 N HIS A 75 4.523 4.320 4.272 1.00 0.00 N ATOM 720 CA HIS A 75 3.852 5.329 3.463 1.00 0.00 C ATOM 721 C HIS A 75 2.508 4.801 2.976 1.00 0.00 C ATOM 722 O HIS A 75 1.542 5.553 2.843 1.00 0.00 O ATOM 723 CB HIS A 75 4.725 5.724 2.270 1.00 0.00 C ATOM 724 CG HIS A 75 4.568 7.156 1.862 1.00 0.00 C ATOM 725 ND1 HIS A 75 5.532 7.851 1.163 1.00 0.00 N ATOM 726 CD2 HIS A 75 3.548 8.026 2.059 1.00 0.00 C ATOM 727 CE1 HIS A 75 5.114 9.085 0.948 1.00 0.00 C ATOM 728 NE2 HIS A 75 3.913 9.216 1.480 1.00 0.00 N ATOM 0 H HIS A 75 5.315 3.869 3.813 1.00 0.00 H new ATOM 0 HA HIS A 75 3.683 6.213 4.079 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.770 5.538 2.517 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.479 5.084 1.423 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.621 7.822 2.575 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.661 9.856 0.426 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.347 10.065 1.464 1.00 0.00 H new ATOM 737 N THR A 76 2.455 3.497 2.719 1.00 0.00 N ATOM 738 CA THR A 76 1.231 2.854 2.255 1.00 0.00 C ATOM 739 C THR A 76 0.162 2.886 3.342 1.00 0.00 C ATOM 740 O THR A 76 -0.948 3.370 3.123 1.00 0.00 O ATOM 741 CB THR A 76 1.517 1.406 1.853 1.00 0.00 C ATOM 742 OG1 THR A 76 2.449 1.355 0.789 1.00 0.00 O ATOM 743 CG2 THR A 76 0.280 0.647 1.419 1.00 0.00 C ATOM 0 H THR A 76 3.248 2.864 2.825 1.00 0.00 H new ATOM 0 HA THR A 76 0.864 3.402 1.387 1.00 0.00 H new ATOM 0 HB THR A 76 1.916 0.932 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.353 1.500 1.139 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.555 -0.372 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.438 0.623 2.238 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.168 1.143 0.558 1.00 0.00 H new ATOM 751 N GLN A 77 0.506 2.361 4.513 1.00 0.00 N ATOM 752 CA GLN A 77 -0.420 2.321 5.640 1.00 0.00 C ATOM 753 C GLN A 77 -1.048 3.691 5.889 1.00 0.00 C ATOM 754 O GLN A 77 -2.219 3.789 6.256 1.00 0.00 O ATOM 755 CB GLN A 77 0.302 1.845 6.901 1.00 0.00 C ATOM 756 CG GLN A 77 0.254 0.339 7.099 1.00 0.00 C ATOM 757 CD GLN A 77 -0.242 -0.054 8.477 1.00 0.00 C ATOM 758 OE1 GLN A 77 -1.406 0.161 8.815 1.00 0.00 O ATOM 759 NE2 GLN A 77 0.642 -0.633 9.281 1.00 0.00 N ATOM 0 H GLN A 77 1.422 1.956 4.707 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.217 1.619 5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.343 2.164 6.855 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.142 2.331 7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.396 -0.102 6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.250 -0.076 6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.597 -0.792 8.959 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.366 -0.919 10.220 1.00 0.00 H new ATOM 768 N ARG A 78 -0.262 4.744 5.689 1.00 0.00 N ATOM 769 CA ARG A 78 -0.740 6.104 5.894 1.00 0.00 C ATOM 770 C ARG A 78 -1.591 6.566 4.713 1.00 0.00 C ATOM 771 O ARG A 78 -2.654 7.158 4.896 1.00 0.00 O ATOM 772 CB ARG A 78 0.446 7.051 6.097 1.00 0.00 C ATOM 773 CG ARG A 78 0.063 8.523 6.126 1.00 0.00 C ATOM 774 CD ARG A 78 0.378 9.160 7.470 1.00 0.00 C ATOM 775 NE ARG A 78 -0.449 8.611 8.543 1.00 0.00 N ATOM 776 CZ ARG A 78 -0.655 9.221 9.708 1.00 0.00 C ATOM 777 NH1 ARG A 78 -0.093 10.398 9.958 1.00 0.00 N ATOM 778 NH2 ARG A 78 -1.424 8.653 10.627 1.00 0.00 N ATOM 0 H ARG A 78 0.710 4.680 5.385 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.364 6.119 6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.945 6.797 7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.168 6.889 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.597 9.054 5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.001 8.626 5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.430 9.004 7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.222 10.237 7.406 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.895 7.706 8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.500 10.839 9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.255 10.861 10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.858 7.749 10.441 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.582 9.120 11.520 1.00 0.00 H new ATOM 792 N THR A 79 -1.116 6.294 3.500 1.00 0.00 N ATOM 793 CA THR A 79 -1.837 6.686 2.293 1.00 0.00 C ATOM 794 C THR A 79 -3.260 6.133 2.303 1.00 0.00 C ATOM 795 O THR A 79 -4.167 6.719 1.712 1.00 0.00 O ATOM 796 CB THR A 79 -1.095 6.201 1.046 1.00 0.00 C ATOM 797 OG1 THR A 79 -0.852 4.808 1.114 1.00 0.00 O ATOM 798 CG2 THR A 79 0.237 6.890 0.838 1.00 0.00 C ATOM 0 H THR A 79 -0.238 5.805 3.328 1.00 0.00 H new ATOM 0 HA THR A 79 -1.891 7.774 2.272 1.00 0.00 H new ATOM 0 HB THR A 79 -1.749 6.445 0.209 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.157 4.465 1.979 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.711 6.500 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.079 7.963 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.881 6.703 1.697 1.00 0.00 H new ATOM 806 N LEU A 80 -3.450 5.004 2.981 1.00 0.00 N ATOM 807 CA LEU A 80 -4.766 4.381 3.069 1.00 0.00 C ATOM 808 C LEU A 80 -5.662 5.148 4.037 1.00 0.00 C ATOM 809 O LEU A 80 -6.877 5.213 3.854 1.00 0.00 O ATOM 810 CB LEU A 80 -4.640 2.923 3.516 1.00 0.00 C ATOM 811 CG LEU A 80 -3.882 2.010 2.549 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.328 0.798 3.281 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.789 1.578 1.410 1.00 0.00 C ATOM 0 H LEU A 80 -2.711 4.504 3.476 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.220 4.407 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.138 2.898 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.641 2.517 3.665 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.044 2.568 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.793 0.161 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.645 1.127 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.148 0.236 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.236 0.929 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.645 1.037 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.137 2.458 0.869 1.00 0.00 H new ATOM 825 N ASP A 81 -5.052 5.731 5.064 1.00 0.00 N ATOM 826 CA ASP A 81 -5.794 6.499 6.058 1.00 0.00 C ATOM 827 C ASP A 81 -6.436 7.725 5.418 1.00 0.00 C ATOM 828 O ASP A 81 -7.623 7.990 5.611 1.00 0.00 O ATOM 829 CB ASP A 81 -4.868 6.928 7.198 1.00 0.00 C ATOM 830 CG ASP A 81 -4.638 5.818 8.204 1.00 0.00 C ATOM 831 OD1 ASP A 81 -5.564 5.007 8.416 1.00 0.00 O ATOM 832 OD2 ASP A 81 -3.532 5.760 8.781 1.00 0.00 O ATOM 0 H ASP A 81 -4.047 5.686 5.230 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.582 5.864 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.910 7.245 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.297 7.792 7.706 1.00 0.00 H new ATOM 837 N MET A 82 -5.644 8.465 4.650 1.00 0.00 N ATOM 838 CA MET A 82 -6.134 9.660 3.972 1.00 0.00 C ATOM 839 C MET A 82 -7.258 9.311 2.998 1.00 0.00 C ATOM 840 O MET A 82 -8.031 10.179 2.593 1.00 0.00 O ATOM 841 CB MET A 82 -4.991 10.350 3.222 1.00 0.00 C ATOM 842 CG MET A 82 -3.928 10.936 4.139 1.00 0.00 C ATOM 843 SD MET A 82 -2.253 10.656 3.531 1.00 0.00 S ATOM 844 CE MET A 82 -2.433 11.124 1.811 1.00 0.00 C ATOM 0 H MET A 82 -4.659 8.258 4.481 1.00 0.00 H new ATOM 0 HA MET A 82 -6.529 10.340 4.727 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.523 9.631 2.549 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.403 11.146 2.602 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.097 12.008 4.246 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.028 10.497 5.132 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.477 11.484 1.430 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.752 10.259 1.230 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.179 11.914 1.725 1.00 0.00 H new ATOM 854 N ALA A 83 -7.340 8.036 2.624 1.00 0.00 N ATOM 855 CA ALA A 83 -8.365 7.576 1.696 1.00 0.00 C ATOM 856 C ALA A 83 -9.577 7.014 2.434 1.00 0.00 C ATOM 857 O ALA A 83 -10.324 6.204 1.885 1.00 0.00 O ATOM 858 CB ALA A 83 -7.787 6.525 0.761 1.00 0.00 C ATOM 0 H ALA A 83 -6.708 7.305 2.950 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.699 8.434 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.560 6.187 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.960 6.956 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.426 5.678 1.344 1.00 0.00 H new ATOM 864 N ASP A 84 -9.769 7.443 3.678 1.00 0.00 N ATOM 865 CA ASP A 84 -10.896 6.978 4.480 1.00 0.00 C ATOM 866 C ASP A 84 -11.461 8.104 5.344 1.00 0.00 C ATOM 867 O ASP A 84 -12.097 7.852 6.368 1.00 0.00 O ATOM 868 CB ASP A 84 -10.468 5.806 5.365 1.00 0.00 C ATOM 869 CG ASP A 84 -11.652 5.046 5.929 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.682 4.948 5.230 1.00 0.00 O ATOM 871 OD2 ASP A 84 -11.549 4.548 7.070 1.00 0.00 O ATOM 0 H ASP A 84 -9.160 8.110 4.152 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.679 6.646 3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.845 5.125 4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.855 6.179 6.185 1.00 0.00 H new ATOM 876 N MET A 85 -11.218 9.347 4.935 1.00 0.00 N ATOM 877 CA MET A 85 -11.698 10.504 5.688 1.00 0.00 C ATOM 878 C MET A 85 -12.421 11.508 4.791 1.00 0.00 C ATOM 879 O MET A 85 -13.370 12.164 5.219 1.00 0.00 O ATOM 880 CB MET A 85 -10.528 11.191 6.395 1.00 0.00 C ATOM 881 CG MET A 85 -10.950 12.023 7.593 1.00 0.00 C ATOM 882 SD MET A 85 -10.953 11.077 9.128 1.00 0.00 S ATOM 883 CE MET A 85 -12.373 11.783 9.960 1.00 0.00 C ATOM 0 H MET A 85 -10.694 9.579 4.091 1.00 0.00 H new ATOM 0 HA MET A 85 -12.413 10.141 6.426 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.815 10.434 6.721 1.00 0.00 H new ATOM 0 HB3 MET A 85 -10.008 11.832 5.682 1.00 0.00 H new ATOM 0 HG2 MET A 85 -10.276 12.873 7.696 1.00 0.00 H new ATOM 0 HG3 MET A 85 -11.947 12.427 7.417 1.00 0.00 H new ATOM 0 HE1 MET A 85 -12.506 11.299 10.928 1.00 0.00 H new ATOM 0 HE2 MET A 85 -12.214 12.851 10.107 1.00 0.00 H new ATOM 0 HE3 MET A 85 -13.265 11.629 9.352 1.00 0.00 H new ATOM 893 N GLN A 86 -11.961 11.637 3.552 1.00 0.00 N ATOM 894 CA GLN A 86 -12.559 12.575 2.603 1.00 0.00 C ATOM 895 C GLN A 86 -14.070 12.371 2.479 1.00 0.00 C ATOM 896 O GLN A 86 -14.794 13.284 2.082 1.00 0.00 O ATOM 897 CB GLN A 86 -11.901 12.424 1.231 1.00 0.00 C ATOM 898 CG GLN A 86 -10.399 12.653 1.248 1.00 0.00 C ATOM 899 CD GLN A 86 -10.033 14.096 1.533 1.00 0.00 C ATOM 900 OE1 GLN A 86 -10.333 14.993 0.745 1.00 0.00 O ATOM 901 NE2 GLN A 86 -9.379 14.328 2.666 1.00 0.00 N ATOM 0 H GLN A 86 -11.175 11.104 3.179 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.388 13.582 2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.103 11.424 0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.360 13.129 0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -9.946 12.011 2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.979 12.359 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.150 13.555 3.290 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.106 15.280 2.911 1.00 0.00 H new ATOM 910 N HIS A 87 -14.539 11.172 2.810 1.00 0.00 N ATOM 911 CA HIS A 87 -15.963 10.857 2.723 1.00 0.00 C ATOM 912 C HIS A 87 -16.762 11.585 3.800 1.00 0.00 C ATOM 913 O HIS A 87 -17.251 10.969 4.747 1.00 0.00 O ATOM 914 CB HIS A 87 -16.183 9.348 2.844 1.00 0.00 C ATOM 915 CG HIS A 87 -15.159 8.535 2.119 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.965 8.154 2.690 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.149 8.036 0.860 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.264 7.457 1.816 1.00 0.00 C ATOM 919 NE2 HIS A 87 -13.960 7.369 0.698 1.00 0.00 N ATOM 0 H HIS A 87 -13.956 10.403 3.140 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.317 11.196 1.749 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.175 9.071 3.898 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.172 9.101 2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -15.930 8.143 0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.286 7.031 1.987 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -13.663 6.884 -0.149 1.00 0.00 H new ATOM 1110 N LEU A 101 -4.794 17.475 -0.153 1.00 0.00 N ATOM 1111 CA LEU A 101 -5.288 17.256 -1.509 1.00 0.00 C ATOM 1112 C LEU A 101 -6.090 15.959 -1.590 1.00 0.00 C ATOM 1113 O LEU A 101 -5.794 14.995 -0.888 1.00 0.00 O ATOM 1114 CB LEU A 101 -4.126 17.216 -2.505 1.00 0.00 C ATOM 1115 CG LEU A 101 -2.972 18.173 -2.196 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -1.709 17.744 -2.925 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -3.349 19.598 -2.573 1.00 0.00 C ATOM 0 HA LEU A 101 -5.944 18.087 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.734 16.199 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.511 17.445 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.775 18.139 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.901 18.437 -2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.429 16.740 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.891 17.747 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.518 20.266 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.573 19.645 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.226 19.905 -2.004 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.123 15.921 -2.448 1.00 0.00 N ATOM 1130 CA PRO A 102 -7.970 14.734 -2.610 1.00 0.00 C ATOM 1131 C PRO A 102 -7.251 13.589 -3.314 1.00 0.00 C ATOM 1132 O PRO A 102 -7.412 12.425 -2.949 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.129 15.243 -3.470 1.00 0.00 C ATOM 1134 CG PRO A 102 -8.558 16.386 -4.234 1.00 0.00 C ATOM 1135 CD PRO A 102 -7.549 17.029 -3.324 1.00 0.00 C ATOM 0 HA PRO A 102 -8.277 14.323 -1.648 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.498 14.465 -4.138 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.970 15.559 -2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.089 16.043 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.337 17.095 -4.516 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.711 17.444 -3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.987 17.847 -2.753 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.462 13.924 -4.329 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.726 12.919 -5.086 1.00 0.00 C ATOM 1145 C HIS A 103 -4.475 12.452 -4.339 1.00 0.00 C ATOM 1146 O HIS A 103 -3.821 11.495 -4.755 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.354 13.462 -6.471 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.191 14.408 -6.466 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.226 14.629 -7.391 1.00 0.00 N flip ATOM 1150 CD2 HIS A 103 -3.921 15.266 -5.421 1.00 0.00 C flip ATOM 1151 CE1 HIS A 103 -2.401 15.606 -6.892 1.00 0.00 C flip ATOM 1152 NE2 HIS A 103 -2.842 15.973 -5.704 1.00 0.00 N flip ATOM 0 H HIS A 103 -6.316 14.882 -4.646 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.377 12.053 -5.208 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.124 12.623 -7.128 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.220 13.970 -6.895 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -3.130 14.157 -8.290 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.501 15.347 -4.513 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.532 16.009 -7.391 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.144 13.129 -3.237 1.00 0.00 N ATOM 1162 CA GLU A 104 -2.969 12.776 -2.439 1.00 0.00 C ATOM 1163 C GLU A 104 -2.871 11.266 -2.238 1.00 0.00 C ATOM 1164 O GLU A 104 -1.919 10.630 -2.689 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.021 13.470 -1.075 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.333 14.825 -1.055 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.098 14.841 -0.177 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -1.074 14.098 0.827 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.154 15.596 -0.492 1.00 0.00 O ATOM 0 H GLU A 104 -4.673 13.924 -2.878 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.087 13.113 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.063 13.597 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.555 12.824 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.054 15.101 -2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.035 15.579 -0.701 1.00 0.00 H new ATOM 1176 N ASN A 105 -3.863 10.702 -1.558 1.00 0.00 N ATOM 1177 CA ASN A 105 -3.890 9.269 -1.296 1.00 0.00 C ATOM 1178 C ASN A 105 -3.892 8.477 -2.600 1.00 0.00 C ATOM 1179 O ASN A 105 -3.060 7.594 -2.799 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.118 8.903 -0.459 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.388 9.555 -0.972 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.045 9.036 -1.873 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -6.739 10.700 -0.397 1.00 0.00 N ATOM 0 H ASN A 105 -4.658 11.216 -1.179 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.990 9.011 -0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.244 7.820 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.951 9.204 0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.584 11.185 -0.700 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.164 11.094 0.347 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.831 8.799 -3.485 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.945 8.116 -4.773 1.00 0.00 C ATOM 1192 C VAL A 106 -3.587 7.978 -5.458 1.00 0.00 C ATOM 1193 O VAL A 106 -3.120 6.868 -5.714 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.907 8.860 -5.718 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -6.167 8.039 -6.973 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -7.211 9.185 -5.007 1.00 0.00 C ATOM 0 H VAL A 106 -5.526 9.530 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.341 7.122 -4.563 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.439 9.798 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.849 8.581 -7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.226 7.863 -7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.613 7.083 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.877 9.710 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.685 8.261 -4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.006 9.817 -4.143 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.961 9.111 -5.756 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.659 9.115 -6.415 1.00 0.00 C ATOM 1208 C ASP A 107 -0.624 8.352 -5.591 1.00 0.00 C ATOM 1209 O ASP A 107 0.007 7.417 -6.082 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.187 10.552 -6.647 1.00 0.00 C ATOM 1211 CG ASP A 107 -1.516 11.051 -8.040 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -1.184 10.346 -9.016 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -2.106 12.146 -8.155 1.00 0.00 O ATOM 0 H ASP A 107 -3.333 10.038 -5.552 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.767 8.614 -7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.651 11.207 -5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.110 10.608 -6.489 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.454 8.759 -4.339 1.00 0.00 N ATOM 1219 CA ASP A 108 0.506 8.115 -3.449 1.00 0.00 C ATOM 1220 C ASP A 108 0.209 6.625 -3.295 1.00 0.00 C ATOM 1221 O ASP A 108 1.086 5.844 -2.922 1.00 0.00 O ATOM 1222 CB ASP A 108 0.492 8.793 -2.078 1.00 0.00 C ATOM 1223 CG ASP A 108 0.821 10.270 -2.159 1.00 0.00 C ATOM 1224 OD1 ASP A 108 0.520 10.889 -3.202 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.379 10.810 -1.180 1.00 0.00 O ATOM 0 H ASP A 108 -0.968 9.532 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 108 1.496 8.220 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.491 8.667 -1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.211 8.299 -1.424 1.00 0.00 H new ATOM 1230 N MET A 109 -1.029 6.235 -3.580 1.00 0.00 N ATOM 1231 CA MET A 109 -1.433 4.838 -3.467 1.00 0.00 C ATOM 1232 C MET A 109 -0.723 3.982 -4.507 1.00 0.00 C ATOM 1233 O MET A 109 0.011 3.055 -4.166 1.00 0.00 O ATOM 1234 CB MET A 109 -2.948 4.706 -3.626 1.00 0.00 C ATOM 1235 CG MET A 109 -3.635 4.152 -2.391 1.00 0.00 C ATOM 1236 SD MET A 109 -3.845 5.388 -1.100 1.00 0.00 S ATOM 1237 CE MET A 109 -5.545 5.083 -0.645 1.00 0.00 C ATOM 0 H MET A 109 -1.769 6.865 -3.890 1.00 0.00 H new ATOM 0 HA MET A 109 -1.149 4.484 -2.476 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.369 5.684 -3.859 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.162 4.056 -4.475 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.611 3.755 -2.670 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.052 3.319 -1.999 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.619 4.980 0.438 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.165 5.917 -0.973 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.890 4.165 -1.121 1.00 0.00 H new ATOM 1247 N ARG A 110 -0.942 4.301 -5.779 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.317 3.561 -6.868 1.00 0.00 C ATOM 1249 C ARG A 110 1.192 3.471 -6.664 1.00 0.00 C ATOM 1250 O ARG A 110 1.840 2.546 -7.151 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.627 4.224 -8.211 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.253 5.696 -8.261 1.00 0.00 C ATOM 1253 CD ARG A 110 0.225 6.102 -9.646 1.00 0.00 C ATOM 1254 NE ARG A 110 -0.787 5.851 -10.670 1.00 0.00 N ATOM 1255 CZ ARG A 110 -1.841 6.638 -10.877 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -2.020 7.726 -10.140 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -2.717 6.336 -11.826 1.00 0.00 N ATOM 0 H ARG A 110 -1.546 5.066 -6.080 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.727 2.551 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.093 3.695 -9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.692 4.120 -8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.115 6.301 -7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.530 5.899 -7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.484 7.161 -9.644 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.133 5.552 -9.892 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.680 5.026 -11.260 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.348 7.964 -9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.829 8.325 -10.303 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.583 5.501 -12.397 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.525 6.938 -11.985 1.00 0.00 H new ATOM 1271 N SER A 111 1.744 4.435 -5.932 1.00 0.00 N ATOM 1272 CA SER A 111 3.174 4.453 -5.656 1.00 0.00 C ATOM 1273 C SER A 111 3.555 3.262 -4.786 1.00 0.00 C ATOM 1274 O SER A 111 4.592 2.632 -4.994 1.00 0.00 O ATOM 1275 CB SER A 111 3.566 5.758 -4.960 1.00 0.00 C ATOM 1276 OG SER A 111 4.955 6.009 -5.090 1.00 0.00 O ATOM 0 H SER A 111 1.224 5.210 -5.522 1.00 0.00 H new ATOM 0 HA SER A 111 3.712 4.387 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.002 6.586 -5.389 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.300 5.705 -3.904 1.00 0.00 H new ATOM 0 HG SER A 111 5.179 6.849 -4.638 1.00 0.00 H new ATOM 1282 N ALA A 112 2.699 2.953 -3.817 1.00 0.00 N ATOM 1283 CA ALA A 112 2.934 1.830 -2.920 1.00 0.00 C ATOM 1284 C ALA A 112 2.947 0.517 -3.694 1.00 0.00 C ATOM 1285 O ALA A 112 3.800 -0.340 -3.468 1.00 0.00 O ATOM 1286 CB ALA A 112 1.873 1.794 -1.829 1.00 0.00 C ATOM 0 H ALA A 112 1.836 3.466 -3.634 1.00 0.00 H new ATOM 0 HA ALA A 112 3.910 1.961 -2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.061 0.950 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.909 2.720 -1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.888 1.686 -2.283 1.00 0.00 H new ATOM 1292 N ILE A 113 1.998 0.369 -4.615 1.00 0.00 N ATOM 1293 CA ILE A 113 1.907 -0.837 -5.425 1.00 0.00 C ATOM 1294 C ILE A 113 3.159 -1.007 -6.283 1.00 0.00 C ATOM 1295 O ILE A 113 3.549 -2.124 -6.614 1.00 0.00 O ATOM 1296 CB ILE A 113 0.642 -0.824 -6.320 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.012 -2.207 -6.328 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.967 -0.380 -7.742 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.154 -2.338 -5.344 1.00 0.00 C ATOM 0 H ILE A 113 1.284 1.069 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 113 1.830 -1.685 -4.744 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.058 -0.101 -5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.381 -2.421 -7.331 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.743 -2.959 -6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.056 -0.383 -8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.385 0.626 -7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.692 -1.066 -8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.571 -3.343 -5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.787 -2.156 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.928 -1.609 -5.585 1.00 0.00 H new ATOM 1311 N THR A 114 3.788 0.110 -6.633 1.00 0.00 N ATOM 1312 CA THR A 114 5.000 0.077 -7.441 1.00 0.00 C ATOM 1313 C THR A 114 6.098 -0.682 -6.708 1.00 0.00 C ATOM 1314 O THR A 114 6.854 -1.444 -7.310 1.00 0.00 O ATOM 1315 CB THR A 114 5.468 1.498 -7.760 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.447 2.226 -8.419 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.701 1.542 -8.636 1.00 0.00 C ATOM 0 H THR A 114 3.479 1.046 -6.371 1.00 0.00 H new ATOM 0 HA THR A 114 4.779 -0.436 -8.377 1.00 0.00 H new ATOM 0 HB THR A 114 5.712 1.943 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.694 2.360 -7.807 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.978 2.580 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.523 1.032 -8.133 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.492 1.046 -9.584 1.00 0.00 H new ATOM 1325 N ASP A 115 6.170 -0.472 -5.398 1.00 0.00 N ATOM 1326 CA ASP A 115 7.164 -1.137 -4.567 1.00 0.00 C ATOM 1327 C ASP A 115 6.651 -2.497 -4.105 1.00 0.00 C ATOM 1328 O ASP A 115 7.404 -3.469 -4.045 1.00 0.00 O ATOM 1329 CB ASP A 115 7.508 -0.270 -3.354 1.00 0.00 C ATOM 1330 CG ASP A 115 8.987 -0.296 -3.023 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.624 -1.350 -3.233 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.508 0.737 -2.553 1.00 0.00 O ATOM 0 H ASP A 115 5.549 0.156 -4.888 1.00 0.00 H new ATOM 0 HA ASP A 115 8.065 -1.286 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.200 0.758 -3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.940 -0.616 -2.491 1.00 0.00 H new ATOM 1337 N TRP A 116 5.363 -2.556 -3.778 1.00 0.00 N ATOM 1338 CA TRP A 116 4.747 -3.794 -3.320 1.00 0.00 C ATOM 1339 C TRP A 116 4.661 -4.813 -4.451 1.00 0.00 C ATOM 1340 O TRP A 116 5.002 -5.982 -4.270 1.00 0.00 O ATOM 1341 CB TRP A 116 3.359 -3.512 -2.745 1.00 0.00 C ATOM 1342 CG TRP A 116 3.404 -3.147 -1.295 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.548 -1.897 -0.767 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.326 -4.046 -0.186 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.565 -1.965 0.604 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.431 -3.275 0.985 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.175 -5.429 -0.069 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.394 -3.843 2.255 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.137 -5.991 1.191 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.248 -5.199 2.339 1.00 0.00 C ATOM 0 H TRP A 116 4.727 -1.760 -3.822 1.00 0.00 H new ATOM 0 HA TRP A 116 5.373 -4.217 -2.534 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.894 -2.701 -3.306 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.729 -4.392 -2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.636 -0.988 -1.343 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.662 -1.170 1.236 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.089 -6.049 -0.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.478 -3.234 3.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.020 -7.060 1.292 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.218 -5.669 3.311 1.00 0.00 H new ATOM 1361 N SER A 117 4.216 -4.364 -5.619 1.00 0.00 N ATOM 1362 CA SER A 117 4.104 -5.243 -6.776 1.00 0.00 C ATOM 1363 C SER A 117 5.477 -5.775 -7.167 1.00 0.00 C ATOM 1364 O SER A 117 5.640 -6.962 -7.455 1.00 0.00 O ATOM 1365 CB SER A 117 3.473 -4.500 -7.955 1.00 0.00 C ATOM 1366 OG SER A 117 2.173 -4.038 -7.632 1.00 0.00 O ATOM 0 H SER A 117 3.928 -3.400 -5.789 1.00 0.00 H new ATOM 0 HA SER A 117 3.462 -6.083 -6.511 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.103 -3.656 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.422 -5.161 -8.820 1.00 0.00 H new ATOM 0 HG SER A 117 2.226 -3.119 -7.297 1.00 0.00 H new ATOM 1372 N ASP A 118 6.466 -4.886 -7.164 1.00 0.00 N ATOM 1373 CA ASP A 118 7.832 -5.261 -7.506 1.00 0.00 C ATOM 1374 C ASP A 118 8.361 -6.296 -6.522 1.00 0.00 C ATOM 1375 O ASP A 118 9.133 -7.183 -6.889 1.00 0.00 O ATOM 1376 CB ASP A 118 8.737 -4.028 -7.504 1.00 0.00 C ATOM 1377 CG ASP A 118 10.107 -4.316 -8.087 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.177 -5.001 -9.129 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.110 -3.856 -7.501 1.00 0.00 O ATOM 0 H ASP A 118 6.346 -3.901 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 118 7.830 -5.696 -8.505 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.262 -3.231 -8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.849 -3.664 -6.483 1.00 0.00 H new ATOM 1384 N MET A 119 7.937 -6.177 -5.267 1.00 0.00 N ATOM 1385 CA MET A 119 8.362 -7.102 -4.225 1.00 0.00 C ATOM 1386 C MET A 119 7.702 -8.463 -4.411 1.00 0.00 C ATOM 1387 O MET A 119 8.313 -9.499 -4.159 1.00 0.00 O ATOM 1388 CB MET A 119 8.020 -6.544 -2.843 1.00 0.00 C ATOM 1389 CG MET A 119 8.765 -7.230 -1.709 1.00 0.00 C ATOM 1390 SD MET A 119 8.510 -6.419 -0.119 1.00 0.00 S ATOM 1391 CE MET A 119 10.202 -6.237 0.438 1.00 0.00 C ATOM 0 H MET A 119 7.299 -5.448 -4.948 1.00 0.00 H new ATOM 0 HA MET A 119 9.443 -7.224 -4.301 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.248 -5.478 -2.824 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.948 -6.644 -2.675 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.438 -8.267 -1.640 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.831 -7.246 -1.937 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.368 -6.869 1.311 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.882 -6.535 -0.360 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.388 -5.196 0.703 1.00 0.00 H new ATOM 1401 N ARG A 120 6.450 -8.454 -4.857 1.00 0.00 N ATOM 1402 CA ARG A 120 5.710 -9.692 -5.079 1.00 0.00 C ATOM 1403 C ARG A 120 6.513 -10.654 -5.950 1.00 0.00 C ATOM 1404 O ARG A 120 6.593 -11.849 -5.665 1.00 0.00 O ATOM 1405 CB ARG A 120 4.361 -9.394 -5.737 1.00 0.00 C ATOM 1406 CG ARG A 120 3.252 -9.092 -4.742 1.00 0.00 C ATOM 1407 CD ARG A 120 2.298 -8.035 -5.275 1.00 0.00 C ATOM 1408 NE ARG A 120 0.939 -8.220 -4.772 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.085 -9.119 -5.256 1.00 0.00 C ATOM 1410 NH1 ARG A 120 0.446 -9.919 -6.252 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -1.133 -9.220 -4.742 1.00 0.00 N ATOM 0 H ARG A 120 5.927 -7.605 -5.072 1.00 0.00 H new ATOM 0 HA ARG A 120 5.537 -10.163 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.475 -8.545 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.067 -10.248 -6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 120 2.699 -10.006 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.687 -8.750 -3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.658 -7.046 -4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.289 -8.071 -6.364 1.00 0.00 H new ATOM 0 HE ARG A 120 0.626 -7.625 -4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 120 1.382 -9.847 -6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -0.213 -10.606 -6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -1.415 -8.609 -3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.788 -9.909 -5.113 1.00 0.00 H new ATOM 1425 N GLU A 121 7.110 -10.121 -7.012 1.00 0.00 N ATOM 1426 CA GLU A 121 7.911 -10.928 -7.925 1.00 0.00 C ATOM 1427 C GLU A 121 9.322 -11.133 -7.380 1.00 0.00 C ATOM 1428 O GLU A 121 9.892 -12.218 -7.497 1.00 0.00 O ATOM 1429 CB GLU A 121 7.975 -10.264 -9.301 1.00 0.00 C ATOM 1430 CG GLU A 121 6.680 -10.376 -10.090 1.00 0.00 C ATOM 1431 CD GLU A 121 6.651 -9.457 -11.295 1.00 0.00 C ATOM 1432 OE1 GLU A 121 6.866 -8.239 -11.119 1.00 0.00 O ATOM 1433 OE2 GLU A 121 6.413 -9.955 -12.416 1.00 0.00 O ATOM 0 H GLU A 121 7.054 -9.133 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 121 7.434 -11.904 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.225 -9.210 -9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.782 -10.717 -9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.548 -11.406 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.839 -10.140 -9.437 1.00 0.00 H new ATOM 1440 N ALA A 122 9.881 -10.083 -6.785 1.00 0.00 N ATOM 1441 CA ALA A 122 11.226 -10.147 -6.222 1.00 0.00 C ATOM 1442 C ALA A 122 11.281 -11.100 -5.033 1.00 0.00 C ATOM 1443 O ALA A 122 12.032 -12.075 -5.038 1.00 0.00 O ATOM 1444 CB ALA A 122 11.690 -8.758 -5.809 1.00 0.00 C ATOM 0 H ALA A 122 9.423 -9.178 -6.680 1.00 0.00 H new ATOM 0 HA ALA A 122 11.897 -10.530 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.695 -8.819 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.699 -8.103 -6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.009 -8.355 -5.060 1.00 0.00 H new ATOM 1450 N LEU A 123 10.482 -10.806 -4.012 1.00 0.00 N ATOM 1451 CA LEU A 123 10.435 -11.629 -2.808 1.00 0.00 C ATOM 1452 C LEU A 123 10.195 -13.097 -3.151 1.00 0.00 C ATOM 1453 O LEU A 123 10.823 -13.988 -2.579 1.00 0.00 O ATOM 1454 CB LEU A 123 9.335 -11.125 -1.869 1.00 0.00 C ATOM 1455 CG LEU A 123 9.717 -11.072 -0.390 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.924 -10.171 -0.182 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.540 -10.591 0.445 1.00 0.00 C ATOM 0 H LEU A 123 9.856 -10.001 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 123 11.400 -11.550 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.037 -10.126 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.462 -11.768 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 123 9.982 -12.078 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.181 -10.146 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.769 -10.558 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.688 -9.163 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.828 -10.559 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.246 -9.593 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.701 -11.276 0.320 1.00 0.00 H new ATOM 1469 N GLN A 124 9.285 -13.343 -4.088 1.00 0.00 N ATOM 1470 CA GLN A 124 8.965 -14.704 -4.504 1.00 0.00 C ATOM 1471 C GLN A 124 10.196 -15.400 -5.076 1.00 0.00 C ATOM 1472 O GLN A 124 10.570 -16.486 -4.634 1.00 0.00 O ATOM 1473 CB GLN A 124 7.842 -14.691 -5.543 1.00 0.00 C ATOM 1474 CG GLN A 124 6.476 -15.032 -4.968 1.00 0.00 C ATOM 1475 CD GLN A 124 5.760 -16.105 -5.764 1.00 0.00 C ATOM 1476 OE1 GLN A 124 6.389 -17.002 -6.326 1.00 0.00 O ATOM 1477 NE2 GLN A 124 4.436 -16.020 -5.816 1.00 0.00 N ATOM 0 H GLN A 124 8.756 -12.618 -4.573 1.00 0.00 H new ATOM 0 HA GLN A 124 8.631 -15.258 -3.626 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.797 -13.704 -6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.082 -15.402 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.593 -15.367 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 124 5.861 -14.132 -4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 124 3.954 -15.260 -5.335 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.900 -16.715 -6.336 1.00 0.00 H new ATOM 1486 N HIS A 125 10.818 -14.766 -6.063 1.00 0.00 N ATOM 1487 CA HIS A 125 12.006 -15.321 -6.701 1.00 0.00 C ATOM 1488 C HIS A 125 13.128 -15.521 -5.688 1.00 0.00 C ATOM 1489 O HIS A 125 13.780 -16.565 -5.667 1.00 0.00 O ATOM 1490 CB HIS A 125 12.481 -14.404 -7.829 1.00 0.00 C ATOM 1491 CG HIS A 125 11.437 -14.145 -8.870 1.00 0.00 C ATOM 1492 ND1 HIS A 125 11.555 -13.158 -9.827 1.00 0.00 N ATOM 1493 CD2 HIS A 125 10.248 -14.752 -9.104 1.00 0.00 C ATOM 1494 CE1 HIS A 125 10.485 -13.169 -10.602 1.00 0.00 C ATOM 1495 NE2 HIS A 125 9.678 -14.126 -10.186 1.00 0.00 N ATOM 0 H HIS A 125 10.519 -13.866 -6.439 1.00 0.00 H new ATOM 0 HA HIS A 125 11.741 -16.293 -7.118 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.801 -13.453 -7.403 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.354 -14.850 -8.305 1.00 0.00 H new ATOM 0 HD2 HIS A 125 9.827 -15.574 -8.544 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.302 -12.507 -11.435 1.00 0.00 H new ATOM 0 HE2 HIS A 125 8.777 -14.363 -10.601 1.00 0.00 H new ATOM 1504 N ALA A 126 13.349 -14.513 -4.850 1.00 0.00 N ATOM 1505 CA ALA A 126 14.394 -14.577 -3.836 1.00 0.00 C ATOM 1506 C ALA A 126 14.126 -15.697 -2.835 1.00 0.00 C ATOM 1507 O ALA A 126 15.052 -16.360 -2.369 1.00 0.00 O ATOM 1508 CB ALA A 126 14.512 -13.242 -3.118 1.00 0.00 C ATOM 0 H ALA A 126 12.818 -13.642 -4.854 1.00 0.00 H new ATOM 0 HA ALA A 126 15.337 -14.795 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.296 -13.303 -2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.761 -12.462 -3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.563 -13.002 -2.637 1.00 0.00 H new ATOM 1514 N MET A 127 12.854 -15.902 -2.507 1.00 0.00 N ATOM 1515 CA MET A 127 12.468 -16.942 -1.559 1.00 0.00 C ATOM 1516 C MET A 127 12.931 -18.315 -2.038 1.00 0.00 C ATOM 1517 O MET A 127 13.227 -19.197 -1.232 1.00 0.00 O ATOM 1518 CB MET A 127 10.951 -16.945 -1.360 1.00 0.00 C ATOM 1519 CG MET A 127 10.524 -17.271 0.062 1.00 0.00 C ATOM 1520 SD MET A 127 8.833 -17.887 0.156 1.00 0.00 S ATOM 1521 CE MET A 127 7.914 -16.444 -0.373 1.00 0.00 C ATOM 0 H MET A 127 12.074 -15.363 -2.883 1.00 0.00 H new ATOM 0 HA MET A 127 12.952 -16.726 -0.607 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.555 -15.967 -1.634 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.505 -17.671 -2.040 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.202 -18.016 0.479 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.615 -16.377 0.679 1.00 0.00 H new ATOM 0 HE1 MET A 127 6.964 -16.403 0.159 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.491 -15.545 -0.155 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.727 -16.504 -1.445 1.00 0.00 H new ATOM 1531 N GLY A 128 12.990 -18.487 -3.354 1.00 0.00 N ATOM 1532 CA GLY A 128 13.418 -19.754 -3.918 1.00 0.00 C ATOM 1533 C GLY A 128 12.550 -20.197 -5.079 1.00 0.00 C ATOM 1534 O GLY A 128 12.208 -21.374 -5.193 1.00 0.00 O ATOM 0 H GLY A 128 12.749 -17.772 -4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.451 -19.668 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.398 -20.519 -3.141 1.00 0.00 H new ATOM 1538 N ILE A 129 12.192 -19.252 -5.942 1.00 0.00 N ATOM 1539 CA ILE A 129 11.359 -19.549 -7.100 1.00 0.00 C ATOM 1540 C ILE A 129 11.944 -18.933 -8.366 1.00 0.00 C ATOM 1541 O ILE A 129 12.730 -17.987 -8.301 1.00 0.00 O ATOM 1542 CB ILE A 129 9.919 -19.031 -6.907 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.354 -19.508 -5.567 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.032 -19.491 -8.054 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.303 -18.584 -4.992 1.00 0.00 C ATOM 0 H ILE A 129 12.466 -18.273 -5.861 1.00 0.00 H new ATOM 0 HA ILE A 129 11.334 -20.634 -7.203 1.00 0.00 H new ATOM 0 HB ILE A 129 9.940 -17.941 -6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.922 -20.500 -5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.171 -19.606 -4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.019 -19.117 -7.903 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.425 -19.105 -8.995 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.016 -20.580 -8.087 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.947 -18.984 -4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.736 -17.597 -4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.468 -18.505 -5.688 1.00 0.00 H new