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 Set 1.1: A 54 HIS : no HD1:sc= -1.19 K(o=-2.2,f=-3.1!) USER MOD Set 1.2: A 69 TYR OH : rot 60:sc= -1.01 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 33 SER OG : rot 180:sc= 0.067 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.331 X(o=-0.33,f=0.085) USER MOD Single : A 42 GLN : amide:sc= -1.07 K(o=-1.1,f=-2) USER MOD Single : A 46 SER OG : rot 140:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.02 X(o=-2,f=-1.6) USER MOD Single : A 58 SER OG : rot 172:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) 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 : amide:sc= -0.358 X(o=-0.36,f=-0.016) USER MOD Single : A 70 ASN : amide:sc= -0.0837 K(o=-0.084,f=-1.6!) USER MOD Single : A 71 ASN : amide:sc= -0.0985 X(o=-0.098,f=-0.3) 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 HE2:sc= 0.26 K(o=0.26,f=-1.1) USER MOD Single : A 76 THR OG1 : rot 72:sc= -2.8! USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -79:sc= -0.472 USER MOD Single : A 82 MET CE :methyl -137:sc= -2.44 (180deg=-6.47!) USER MOD Single : A 85 MET CE :methyl -139:sc= -1.1 (180deg=-3.09!) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.0294 F(o=-1.1,f=-0.029) USER MOD Single : A 87 HIS : no HD1:sc= -1.13! C(o=-1.1!,f=-8.5!) USER MOD Single : A 103 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-3.5) USER MOD Single : A 105 ASN : amide:sc= -5.3 K(o=-5.3,f=-12!) USER MOD Single : A 109 MET CE :methyl -111:sc= -12.8! (180deg=-23.8!) USER MOD Single : A 111 SER OG : rot -160:sc= -0.453 USER MOD Single : A 114 THR OG1 : rot 66:sc= 0.287 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -150:sc= -0.612 (180deg=-2.58) USER MOD Single : A 124 GLN : amide:sc= -1.45! C(o=-1.5!,f=-6.5!) USER MOD Single : A 125 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.014) USER MOD Single : A 127 MET CE :methyl -130:sc= -1.11 (180deg=-3.81!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.154 12.103 -6.818 1.00 0.00 N ATOM 44 CA THR A 32 -15.381 11.482 -6.332 1.00 0.00 C ATOM 45 C THR A 32 -15.109 10.626 -5.100 1.00 0.00 C ATOM 46 O THR A 32 -14.095 9.933 -5.026 1.00 0.00 O ATOM 47 CB THR A 32 -16.014 10.625 -7.429 1.00 0.00 C ATOM 48 OG1 THR A 32 -15.309 9.406 -7.583 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.050 11.308 -8.779 1.00 0.00 C ATOM 0 HA THR A 32 -16.073 12.277 -6.055 1.00 0.00 H new ATOM 0 HB THR A 32 -17.039 10.450 -7.102 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.730 8.871 -8.288 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.511 10.644 -9.510 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.631 12.228 -8.706 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.034 11.545 -9.094 1.00 0.00 H new ATOM 57 N SER A 33 -16.022 10.679 -4.135 1.00 0.00 N ATOM 58 CA SER A 33 -15.880 9.906 -2.907 1.00 0.00 C ATOM 59 C SER A 33 -15.707 8.422 -3.218 1.00 0.00 C ATOM 60 O SER A 33 -15.012 7.704 -2.500 1.00 0.00 O ATOM 61 CB SER A 33 -17.099 10.112 -2.006 1.00 0.00 C ATOM 62 OG SER A 33 -18.242 10.462 -2.767 1.00 0.00 O ATOM 0 H SER A 33 -16.867 11.249 -4.180 1.00 0.00 H new ATOM 0 HA SER A 33 -14.989 10.257 -2.386 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.298 9.200 -1.444 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.889 10.896 -1.278 1.00 0.00 H new ATOM 0 HG SER A 33 -19.008 10.586 -2.168 1.00 0.00 H new ATOM 68 N SER A 34 -16.339 7.972 -4.296 1.00 0.00 N ATOM 69 CA SER A 34 -16.250 6.575 -4.703 1.00 0.00 C ATOM 70 C SER A 34 -14.859 6.256 -5.240 1.00 0.00 C ATOM 71 O SER A 34 -14.377 5.131 -5.112 1.00 0.00 O ATOM 72 CB SER A 34 -17.304 6.264 -5.768 1.00 0.00 C ATOM 73 OG SER A 34 -18.519 5.841 -5.175 1.00 0.00 O ATOM 0 H SER A 34 -16.917 8.553 -4.903 1.00 0.00 H new ATOM 0 HA SER A 34 -16.435 5.953 -3.827 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.482 7.150 -6.377 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.932 5.487 -6.436 1.00 0.00 H new ATOM 0 HG SER A 34 -19.176 5.650 -5.876 1.00 0.00 H new ATOM 79 N GLN A 35 -14.220 7.253 -5.843 1.00 0.00 N ATOM 80 CA GLN A 35 -12.885 7.079 -6.403 1.00 0.00 C ATOM 81 C GLN A 35 -11.837 6.981 -5.303 1.00 0.00 C ATOM 82 O GLN A 35 -10.958 6.120 -5.347 1.00 0.00 O ATOM 83 CB GLN A 35 -12.552 8.234 -7.342 1.00 0.00 C ATOM 84 CG GLN A 35 -11.210 8.085 -8.040 1.00 0.00 C ATOM 85 CD GLN A 35 -11.083 6.770 -8.785 1.00 0.00 C ATOM 86 OE1 GLN A 35 -11.926 6.430 -9.615 1.00 0.00 O ATOM 87 NE2 GLN A 35 -10.026 6.022 -8.490 1.00 0.00 N ATOM 0 H GLN A 35 -14.606 8.190 -5.956 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.875 6.146 -6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.336 8.317 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.555 9.165 -6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.075 8.909 -8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.411 8.159 -7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.352 6.343 -7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.888 5.126 -8.958 1.00 0.00 H new ATOM 96 N LEU A 36 -11.934 7.863 -4.313 1.00 0.00 N ATOM 97 CA LEU A 36 -10.990 7.863 -3.201 1.00 0.00 C ATOM 98 C LEU A 36 -10.910 6.474 -2.581 1.00 0.00 C ATOM 99 O LEU A 36 -9.823 5.948 -2.338 1.00 0.00 O ATOM 100 CB LEU A 36 -11.409 8.886 -2.144 1.00 0.00 C ATOM 101 CG LEU A 36 -11.086 10.341 -2.487 1.00 0.00 C ATOM 102 CD1 LEU A 36 -11.474 11.260 -1.339 1.00 0.00 C ATOM 103 CD2 LEU A 36 -9.609 10.494 -2.819 1.00 0.00 C ATOM 0 H LEU A 36 -12.653 8.584 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.006 8.138 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.483 8.797 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.921 8.634 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.667 10.625 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.237 12.291 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.543 11.171 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.921 10.977 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.396 11.535 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.010 10.191 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.361 9.865 -3.674 1.00 0.00 H new ATOM 115 N LEU A 37 -12.073 5.880 -2.342 1.00 0.00 N ATOM 116 CA LEU A 37 -12.142 4.546 -1.766 1.00 0.00 C ATOM 117 C LEU A 37 -11.929 3.482 -2.840 1.00 0.00 C ATOM 118 O LEU A 37 -11.504 2.367 -2.541 1.00 0.00 O ATOM 119 CB LEU A 37 -13.488 4.332 -1.066 1.00 0.00 C ATOM 120 CG LEU A 37 -14.686 4.144 -1.998 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.860 2.675 -2.355 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.951 4.691 -1.354 1.00 0.00 C ATOM 0 H LEU A 37 -12.980 6.302 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.346 4.453 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.409 3.456 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.683 5.187 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.499 4.700 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.717 2.561 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.962 2.314 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.026 2.097 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.794 4.549 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.142 4.162 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.825 5.754 -1.149 1.00 0.00 H new ATOM 134 N SER A 38 -12.220 3.831 -4.094 1.00 0.00 N ATOM 135 CA SER A 38 -12.049 2.892 -5.198 1.00 0.00 C ATOM 136 C SER A 38 -10.607 2.405 -5.274 1.00 0.00 C ATOM 137 O SER A 38 -10.349 1.204 -5.370 1.00 0.00 O ATOM 138 CB SER A 38 -12.445 3.545 -6.523 1.00 0.00 C ATOM 139 OG SER A 38 -12.073 2.733 -7.623 1.00 0.00 O ATOM 0 H SER A 38 -12.572 4.749 -4.367 1.00 0.00 H new ATOM 0 HA SER A 38 -12.699 2.036 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.521 3.716 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.966 4.520 -6.609 1.00 0.00 H new ATOM 0 HG SER A 38 -12.338 3.172 -8.458 1.00 0.00 H new ATOM 145 N VAL A 39 -9.669 3.345 -5.230 1.00 0.00 N ATOM 146 CA VAL A 39 -8.255 3.011 -5.295 1.00 0.00 C ATOM 147 C VAL A 39 -7.758 2.444 -3.969 1.00 0.00 C ATOM 148 O VAL A 39 -6.830 1.636 -3.941 1.00 0.00 O ATOM 149 CB VAL A 39 -7.400 4.234 -5.680 1.00 0.00 C ATOM 150 CG1 VAL A 39 -7.495 5.322 -4.618 1.00 0.00 C ATOM 151 CG2 VAL A 39 -5.954 3.819 -5.906 1.00 0.00 C ATOM 0 H VAL A 39 -9.864 4.343 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.148 2.251 -6.069 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.789 4.645 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.883 6.174 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.533 5.640 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.138 4.932 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.363 4.694 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.554 3.380 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.908 3.086 -6.711 1.00 0.00 H new ATOM 161 N ARG A 40 -8.380 2.863 -2.870 1.00 0.00 N ATOM 162 CA ARG A 40 -7.987 2.377 -1.554 1.00 0.00 C ATOM 163 C ARG A 40 -8.373 0.909 -1.392 1.00 0.00 C ATOM 164 O ARG A 40 -7.730 0.165 -0.652 1.00 0.00 O ATOM 165 CB ARG A 40 -8.620 3.236 -0.446 1.00 0.00 C ATOM 166 CG ARG A 40 -8.859 2.498 0.865 1.00 0.00 C ATOM 167 CD ARG A 40 -10.272 1.942 0.943 1.00 0.00 C ATOM 168 NE ARG A 40 -10.724 1.791 2.324 1.00 0.00 N ATOM 169 CZ ARG A 40 -10.241 0.880 3.167 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.296 0.036 2.772 1.00 0.00 N ATOM 171 NH2 ARG A 40 -10.706 0.813 4.407 1.00 0.00 N ATOM 0 H ARG A 40 -9.151 3.531 -2.865 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.904 2.458 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.974 4.093 -0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.571 3.628 -0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.141 1.684 0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.687 3.175 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.953 2.605 0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.310 0.975 0.441 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.452 2.420 2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.936 0.083 1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.930 -0.660 3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.433 1.459 4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.337 0.116 5.053 1.00 0.00 H new ATOM 185 N HIS A 41 -9.422 0.498 -2.096 1.00 0.00 N ATOM 186 CA HIS A 41 -9.886 -0.881 -2.036 1.00 0.00 C ATOM 187 C HIS A 41 -8.925 -1.803 -2.781 1.00 0.00 C ATOM 188 O HIS A 41 -8.654 -2.921 -2.341 1.00 0.00 O ATOM 189 CB HIS A 41 -11.290 -0.993 -2.635 1.00 0.00 C ATOM 190 CG HIS A 41 -12.386 -0.915 -1.617 1.00 0.00 C ATOM 191 ND1 HIS A 41 -13.084 -2.021 -1.177 1.00 0.00 N ATOM 192 CD2 HIS A 41 -12.908 0.145 -0.954 1.00 0.00 C ATOM 193 CE1 HIS A 41 -13.987 -1.644 -0.289 1.00 0.00 C ATOM 194 NE2 HIS A 41 -13.900 -0.336 -0.136 1.00 0.00 N ATOM 0 H HIS A 41 -9.966 1.100 -2.714 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.921 -1.187 -0.990 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.428 -0.197 -3.367 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.372 -1.938 -3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.601 1.176 -1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.679 -2.296 0.224 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.477 0.227 0.489 1.00 0.00 H new ATOM 203 N GLN A 42 -8.415 -1.327 -3.914 1.00 0.00 N ATOM 204 CA GLN A 42 -7.487 -2.109 -4.725 1.00 0.00 C ATOM 205 C GLN A 42 -6.074 -2.070 -4.143 1.00 0.00 C ATOM 206 O GLN A 42 -5.325 -3.041 -4.245 1.00 0.00 O ATOM 207 CB GLN A 42 -7.486 -1.596 -6.172 1.00 0.00 C ATOM 208 CG GLN A 42 -6.530 -0.438 -6.424 1.00 0.00 C ATOM 209 CD GLN A 42 -5.139 -0.904 -6.809 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.978 -1.892 -7.525 1.00 0.00 O ATOM 211 NE2 GLN A 42 -4.124 -0.191 -6.333 1.00 0.00 N ATOM 0 H GLN A 42 -8.629 -0.404 -4.291 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.822 -3.146 -4.718 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.225 -2.419 -6.837 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.496 -1.282 -6.435 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.930 0.193 -7.217 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.468 0.179 -5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.304 0.621 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.165 -0.456 -6.558 1.00 0.00 H new ATOM 220 N LEU A 43 -5.715 -0.941 -3.539 1.00 0.00 N ATOM 221 CA LEU A 43 -4.390 -0.781 -2.949 1.00 0.00 C ATOM 222 C LEU A 43 -4.293 -1.535 -1.626 1.00 0.00 C ATOM 223 O LEU A 43 -3.558 -2.515 -1.512 1.00 0.00 O ATOM 224 CB LEU A 43 -4.083 0.709 -2.736 1.00 0.00 C ATOM 225 CG LEU A 43 -2.601 1.126 -2.795 1.00 0.00 C ATOM 226 CD1 LEU A 43 -2.061 1.381 -1.396 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.751 0.082 -3.509 1.00 0.00 C ATOM 0 H LEU A 43 -6.321 -0.126 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.654 -1.199 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.627 1.279 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.481 1.003 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.543 2.051 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.013 1.674 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.634 2.180 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.148 0.472 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.712 0.411 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.819 -0.868 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.113 -0.046 -4.529 1.00 0.00 H new ATOM 239 N ALA A 44 -5.043 -1.070 -0.627 1.00 0.00 N ATOM 240 CA ALA A 44 -5.048 -1.698 0.693 1.00 0.00 C ATOM 241 C ALA A 44 -5.122 -3.221 0.596 1.00 0.00 C ATOM 242 O ALA A 44 -4.401 -3.931 1.296 1.00 0.00 O ATOM 243 CB ALA A 44 -6.211 -1.170 1.519 1.00 0.00 C ATOM 0 H ALA A 44 -5.656 -0.259 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.109 -1.443 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.205 -1.644 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.113 -0.091 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.149 -1.396 1.012 1.00 0.00 H new ATOM 249 N GLU A 45 -6.000 -3.716 -0.272 1.00 0.00 N ATOM 250 CA GLU A 45 -6.167 -5.154 -0.453 1.00 0.00 C ATOM 251 C GLU A 45 -4.843 -5.822 -0.813 1.00 0.00 C ATOM 252 O GLU A 45 -4.445 -6.808 -0.192 1.00 0.00 O ATOM 253 CB GLU A 45 -7.206 -5.436 -1.540 1.00 0.00 C ATOM 254 CG GLU A 45 -8.618 -5.602 -1.003 1.00 0.00 C ATOM 255 CD GLU A 45 -9.466 -6.518 -1.864 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.886 -7.330 -2.615 1.00 0.00 O ATOM 257 OE2 GLU A 45 -10.709 -6.423 -1.787 1.00 0.00 O ATOM 0 H GLU A 45 -6.606 -3.143 -0.860 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.515 -5.572 0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.195 -4.620 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.922 -6.341 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.573 -6.001 0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.096 -4.624 -0.939 1.00 0.00 H new ATOM 264 N SER A 46 -4.165 -5.281 -1.820 1.00 0.00 N ATOM 265 CA SER A 46 -2.887 -5.827 -2.261 1.00 0.00 C ATOM 266 C SER A 46 -1.793 -5.563 -1.230 1.00 0.00 C ATOM 267 O SER A 46 -0.839 -6.332 -1.114 1.00 0.00 O ATOM 268 CB SER A 46 -2.488 -5.225 -3.609 1.00 0.00 C ATOM 269 OG SER A 46 -1.572 -6.063 -4.291 1.00 0.00 O ATOM 0 H SER A 46 -4.479 -4.465 -2.346 1.00 0.00 H new ATOM 0 HA SER A 46 -3.003 -6.905 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.377 -5.078 -4.222 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.041 -4.243 -3.454 1.00 0.00 H new ATOM 0 HG SER A 46 -1.793 -6.080 -5.246 1.00 0.00 H new ATOM 275 N ALA A 47 -1.938 -4.472 -0.484 1.00 0.00 N ATOM 276 CA ALA A 47 -0.961 -4.109 0.535 1.00 0.00 C ATOM 277 C ALA A 47 -1.026 -5.061 1.725 1.00 0.00 C ATOM 278 O ALA A 47 -1.506 -4.697 2.799 1.00 0.00 O ATOM 279 CB ALA A 47 -1.183 -2.674 0.990 1.00 0.00 C ATOM 0 H ALA A 47 -2.722 -3.825 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 47 0.033 -4.190 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.447 -2.416 1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.076 -2.002 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.185 -2.575 1.407 1.00 0.00 H new ATOM 285 N GLY A 48 -0.539 -6.282 1.528 1.00 0.00 N ATOM 286 CA GLY A 48 -0.551 -7.266 2.596 1.00 0.00 C ATOM 287 C GLY A 48 0.268 -8.499 2.261 1.00 0.00 C ATOM 288 O GLY A 48 0.246 -8.978 1.128 1.00 0.00 O ATOM 0 H GLY A 48 -0.137 -6.608 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.162 -6.812 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.580 -7.562 2.801 1.00 0.00 H new ATOM 292 N LEU A 49 0.991 -9.013 3.252 1.00 0.00 N ATOM 293 CA LEU A 49 1.820 -10.199 3.059 1.00 0.00 C ATOM 294 C LEU A 49 1.008 -11.472 3.296 1.00 0.00 C ATOM 295 O LEU A 49 0.242 -11.556 4.256 1.00 0.00 O ATOM 296 CB LEU A 49 3.023 -10.164 4.007 1.00 0.00 C ATOM 297 CG LEU A 49 4.327 -9.666 3.383 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.859 -10.676 2.378 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.117 -8.312 2.721 1.00 0.00 C ATOM 0 H LEU A 49 1.020 -8.627 4.196 1.00 0.00 H new ATOM 0 HA LEU A 49 2.177 -10.202 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.778 -9.526 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.186 -11.168 4.399 1.00 0.00 H new ATOM 0 HG LEU A 49 5.066 -9.551 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.787 -10.304 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.048 -11.625 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.124 -10.825 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.055 -7.972 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.362 -8.402 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.783 -7.590 3.467 1.00 0.00 H new ATOM 311 N PRO A 50 1.162 -12.484 2.423 1.00 0.00 N ATOM 312 CA PRO A 50 0.432 -13.748 2.554 1.00 0.00 C ATOM 313 C PRO A 50 0.833 -14.523 3.811 1.00 0.00 C ATOM 314 O PRO A 50 0.182 -14.405 4.849 1.00 0.00 O ATOM 315 CB PRO A 50 0.807 -14.522 1.284 1.00 0.00 C ATOM 316 CG PRO A 50 2.088 -13.917 0.823 1.00 0.00 C ATOM 317 CD PRO A 50 2.050 -12.475 1.246 1.00 0.00 C ATOM 0 HA PRO A 50 -0.641 -13.589 2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.926 -15.585 1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.032 -14.430 0.523 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.942 -14.430 1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.191 -14.002 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.044 -12.104 1.496 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.661 -11.835 0.454 1.00 0.00 H new ATOM 325 N ARG A 51 1.901 -15.315 3.720 1.00 0.00 N ATOM 326 CA ARG A 51 2.364 -16.097 4.861 1.00 0.00 C ATOM 327 C ARG A 51 3.882 -16.276 4.834 1.00 0.00 C ATOM 328 O ARG A 51 4.610 -15.601 5.562 1.00 0.00 O ATOM 329 CB ARG A 51 1.673 -17.463 4.881 1.00 0.00 C ATOM 330 CG ARG A 51 0.780 -17.674 6.093 1.00 0.00 C ATOM 331 CD ARG A 51 1.530 -18.359 7.224 1.00 0.00 C ATOM 332 NE ARG A 51 2.133 -19.619 6.797 1.00 0.00 N ATOM 333 CZ ARG A 51 1.457 -20.759 6.671 1.00 0.00 C ATOM 334 NH1 ARG A 51 0.157 -20.802 6.938 1.00 0.00 N ATOM 335 NH2 ARG A 51 2.082 -21.860 6.278 1.00 0.00 N ATOM 0 H ARG A 51 2.457 -15.430 2.873 1.00 0.00 H new ATOM 0 HA ARG A 51 2.105 -15.551 5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.075 -17.572 3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.432 -18.245 4.858 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.399 -16.713 6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.083 -18.276 5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.308 -17.693 7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.846 -18.547 8.051 1.00 0.00 H new ATOM 0 HE ARG A 51 3.130 -19.626 6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.329 -19.958 7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.355 -21.679 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.081 -21.834 6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.564 -22.733 6.181 1.00 0.00 H new ATOM 349 N ASP A 52 4.348 -17.199 3.998 1.00 0.00 N ATOM 350 CA ASP A 52 5.775 -17.482 3.881 1.00 0.00 C ATOM 351 C ASP A 52 6.559 -16.249 3.442 1.00 0.00 C ATOM 352 O ASP A 52 7.659 -15.995 3.934 1.00 0.00 O ATOM 353 CB ASP A 52 6.007 -18.623 2.889 1.00 0.00 C ATOM 354 CG ASP A 52 5.481 -19.950 3.401 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.288 -20.014 3.767 1.00 0.00 O ATOM 356 OD2 ASP A 52 6.261 -20.925 3.436 1.00 0.00 O ATOM 0 H ASP A 52 3.756 -17.765 3.390 1.00 0.00 H new ATOM 0 HA ASP A 52 6.135 -17.777 4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.521 -18.383 1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.074 -18.712 2.685 1.00 0.00 H new ATOM 361 N GLN A 53 5.996 -15.489 2.508 1.00 0.00 N ATOM 362 CA GLN A 53 6.652 -14.288 1.998 1.00 0.00 C ATOM 363 C GLN A 53 7.114 -13.380 3.136 1.00 0.00 C ATOM 364 O GLN A 53 8.072 -12.621 2.985 1.00 0.00 O ATOM 365 CB GLN A 53 5.712 -13.520 1.069 1.00 0.00 C ATOM 366 CG GLN A 53 5.759 -13.998 -0.373 1.00 0.00 C ATOM 367 CD GLN A 53 4.530 -13.591 -1.163 1.00 0.00 C ATOM 368 OE1 GLN A 53 4.152 -12.419 -1.186 1.00 0.00 O ATOM 369 NE2 GLN A 53 3.900 -14.560 -1.817 1.00 0.00 N ATOM 0 H GLN A 53 5.087 -15.683 2.088 1.00 0.00 H new ATOM 0 HA GLN A 53 7.531 -14.605 1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.692 -13.612 1.441 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.968 -12.461 1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.648 -13.593 -0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.853 -15.084 -0.389 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.249 -15.517 -1.770 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.068 -14.347 -2.367 1.00 0.00 H new ATOM 378 N HIS A 54 6.431 -13.460 4.273 1.00 0.00 N ATOM 379 CA HIS A 54 6.779 -12.642 5.429 1.00 0.00 C ATOM 380 C HIS A 54 7.889 -13.294 6.248 1.00 0.00 C ATOM 381 O HIS A 54 8.891 -12.657 6.573 1.00 0.00 O ATOM 382 CB HIS A 54 5.551 -12.411 6.313 1.00 0.00 C ATOM 383 CG HIS A 54 5.834 -11.561 7.513 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.714 -11.933 8.508 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.359 -10.344 7.871 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.769 -10.984 9.424 1.00 0.00 C ATOM 387 NE2 HIS A 54 5.956 -10.008 9.061 1.00 0.00 N ATOM 0 H HIS A 54 5.635 -14.081 4.419 1.00 0.00 H new ATOM 0 HA HIS A 54 7.139 -11.681 5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.768 -11.939 5.719 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.163 -13.375 6.643 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.644 -9.749 7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.375 -11.002 10.318 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.797 -9.145 9.581 1.00 0.00 H new ATOM 396 N GLU A 55 7.700 -14.566 6.585 1.00 0.00 N ATOM 397 CA GLU A 55 8.681 -15.308 7.373 1.00 0.00 C ATOM 398 C GLU A 55 10.082 -15.192 6.776 1.00 0.00 C ATOM 399 O GLU A 55 11.080 -15.338 7.481 1.00 0.00 O ATOM 400 CB GLU A 55 8.277 -16.780 7.470 1.00 0.00 C ATOM 401 CG GLU A 55 6.826 -16.987 7.872 1.00 0.00 C ATOM 402 CD GLU A 55 6.572 -18.366 8.448 1.00 0.00 C ATOM 403 OE1 GLU A 55 7.440 -18.868 9.192 1.00 0.00 O ATOM 404 OE2 GLU A 55 5.504 -18.945 8.155 1.00 0.00 O ATOM 0 H GLU A 55 6.875 -15.106 6.325 1.00 0.00 H new ATOM 0 HA GLU A 55 8.702 -14.872 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.451 -17.260 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.921 -17.278 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.545 -16.233 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.187 -16.837 7.002 1.00 0.00 H new ATOM 411 N PHE A 56 10.151 -14.933 5.474 1.00 0.00 N ATOM 412 CA PHE A 56 11.432 -14.804 4.790 1.00 0.00 C ATOM 413 C PHE A 56 11.924 -13.357 4.815 1.00 0.00 C ATOM 414 O PHE A 56 13.048 -13.083 5.228 1.00 0.00 O ATOM 415 CB PHE A 56 11.305 -15.307 3.343 1.00 0.00 C ATOM 416 CG PHE A 56 12.164 -14.569 2.350 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.542 -14.535 2.494 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.591 -13.907 1.276 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.332 -13.855 1.586 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.375 -13.226 0.365 1.00 0.00 C ATOM 421 CZ PHE A 56 13.747 -13.200 0.520 1.00 0.00 C ATOM 0 H PHE A 56 9.336 -14.809 4.873 1.00 0.00 H new ATOM 0 HA PHE A 56 12.167 -15.415 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.566 -16.365 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.263 -15.227 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 56 14.004 -15.046 3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.519 -13.924 1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.405 -13.836 1.710 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.915 -12.714 -0.468 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.362 -12.668 -0.191 1.00 0.00 H new ATOM 431 N VAL A 57 11.080 -12.441 4.357 1.00 0.00 N ATOM 432 CA VAL A 57 11.433 -11.025 4.309 1.00 0.00 C ATOM 433 C VAL A 57 11.617 -10.416 5.700 1.00 0.00 C ATOM 434 O VAL A 57 12.078 -9.281 5.824 1.00 0.00 O ATOM 435 CB VAL A 57 10.368 -10.213 3.545 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.024 -10.287 4.255 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.813 -8.767 3.378 1.00 0.00 C ATOM 0 H VAL A 57 10.144 -12.653 4.012 1.00 0.00 H new ATOM 0 HA VAL A 57 12.387 -10.972 3.784 1.00 0.00 H new ATOM 0 HB VAL A 57 10.252 -10.649 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.287 -9.707 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.700 -11.326 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.121 -9.881 5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.048 -8.211 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.963 -8.317 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.748 -8.736 2.818 1.00 0.00 H new ATOM 447 N SER A 58 11.246 -11.152 6.745 1.00 0.00 N ATOM 448 CA SER A 58 11.373 -10.641 8.107 1.00 0.00 C ATOM 449 C SER A 58 12.298 -11.507 8.961 1.00 0.00 C ATOM 450 O SER A 58 13.056 -10.991 9.782 1.00 0.00 O ATOM 451 CB SER A 58 9.994 -10.551 8.764 1.00 0.00 C ATOM 452 OG SER A 58 9.828 -9.314 9.436 1.00 0.00 O ATOM 0 H SER A 58 10.859 -12.093 6.677 1.00 0.00 H new ATOM 0 HA SER A 58 11.816 -9.647 8.043 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.219 -10.663 8.006 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.870 -11.372 9.471 1.00 0.00 H new ATOM 0 HG SER A 58 8.898 -9.225 9.733 1.00 0.00 H new ATOM 458 N SER A 59 12.219 -12.820 8.782 1.00 0.00 N ATOM 459 CA SER A 59 13.040 -13.744 9.561 1.00 0.00 C ATOM 460 C SER A 59 14.311 -14.162 8.820 1.00 0.00 C ATOM 461 O SER A 59 15.187 -14.801 9.404 1.00 0.00 O ATOM 462 CB SER A 59 12.227 -14.986 9.930 1.00 0.00 C ATOM 463 OG SER A 59 12.559 -15.444 11.230 1.00 0.00 O ATOM 0 H SER A 59 11.599 -13.269 8.108 1.00 0.00 H new ATOM 0 HA SER A 59 13.345 -13.217 10.465 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.163 -14.755 9.883 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.414 -15.777 9.203 1.00 0.00 H new ATOM 0 HG SER A 59 12.025 -16.238 11.443 1.00 0.00 H new ATOM 469 N GLN A 60 14.412 -13.820 7.538 1.00 0.00 N ATOM 470 CA GLN A 60 15.587 -14.193 6.752 1.00 0.00 C ATOM 471 C GLN A 60 16.226 -12.983 6.073 1.00 0.00 C ATOM 472 O GLN A 60 17.374 -12.638 6.356 1.00 0.00 O ATOM 473 CB GLN A 60 15.205 -15.237 5.702 1.00 0.00 C ATOM 474 CG GLN A 60 15.072 -16.643 6.263 1.00 0.00 C ATOM 475 CD GLN A 60 15.274 -17.713 5.208 1.00 0.00 C ATOM 476 OE1 GLN A 60 14.313 -18.303 4.714 1.00 0.00 O ATOM 477 NE2 GLN A 60 16.529 -17.969 4.857 1.00 0.00 N ATOM 0 H GLN A 60 13.705 -13.292 7.026 1.00 0.00 H new ATOM 0 HA GLN A 60 16.321 -14.614 7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.261 -14.948 5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.957 -15.239 4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.801 -16.782 7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.085 -16.760 6.710 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.295 -17.456 5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.727 -18.679 4.152 1.00 0.00 H new ATOM 486 N ALA A 61 15.481 -12.355 5.166 1.00 0.00 N ATOM 487 CA ALA A 61 15.969 -11.191 4.426 1.00 0.00 C ATOM 488 C ALA A 61 16.774 -10.240 5.313 1.00 0.00 C ATOM 489 O ALA A 61 16.531 -10.140 6.515 1.00 0.00 O ATOM 490 CB ALA A 61 14.804 -10.454 3.785 1.00 0.00 C ATOM 0 H ALA A 61 14.530 -12.634 4.924 1.00 0.00 H new ATOM 0 HA ALA A 61 16.640 -11.555 3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.178 -9.589 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.284 -11.122 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.113 -10.121 4.560 1.00 0.00 H new ATOM 496 N PRO A 62 17.751 -9.528 4.721 1.00 0.00 N ATOM 497 CA PRO A 62 18.601 -8.583 5.452 1.00 0.00 C ATOM 498 C PRO A 62 17.863 -7.303 5.827 1.00 0.00 C ATOM 499 O PRO A 62 16.833 -6.972 5.240 1.00 0.00 O ATOM 500 CB PRO A 62 19.723 -8.279 4.459 1.00 0.00 C ATOM 501 CG PRO A 62 19.104 -8.482 3.120 1.00 0.00 C ATOM 502 CD PRO A 62 18.105 -9.594 3.288 1.00 0.00 C ATOM 0 HA PRO A 62 18.947 -8.997 6.399 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.090 -7.259 4.576 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.574 -8.943 4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.618 -7.570 2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.858 -8.744 2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.232 -9.448 2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.533 -10.561 3.025 1.00 0.00 H new ATOM 510 N GLN A 63 18.398 -6.586 6.812 1.00 0.00 N ATOM 511 CA GLN A 63 17.795 -5.338 7.274 1.00 0.00 C ATOM 512 C GLN A 63 17.442 -4.427 6.100 1.00 0.00 C ATOM 513 O GLN A 63 16.404 -3.766 6.107 1.00 0.00 O ATOM 514 CB GLN A 63 18.747 -4.612 8.226 1.00 0.00 C ATOM 515 CG GLN A 63 18.082 -3.495 9.017 1.00 0.00 C ATOM 516 CD GLN A 63 18.298 -3.629 10.511 1.00 0.00 C ATOM 517 OE1 GLN A 63 19.238 -3.062 11.068 1.00 0.00 O ATOM 518 NE2 GLN A 63 17.425 -4.383 11.170 1.00 0.00 N ATOM 0 H GLN A 63 19.250 -6.849 7.307 1.00 0.00 H new ATOM 0 HA GLN A 63 16.875 -5.586 7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.173 -5.335 8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.575 -4.196 7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.474 -2.535 8.682 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.012 -3.494 8.807 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.660 -4.835 10.668 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.519 -4.510 12.178 1.00 0.00 H new ATOM 527 N SER A 64 18.310 -4.399 5.094 1.00 0.00 N ATOM 528 CA SER A 64 18.085 -3.570 3.914 1.00 0.00 C ATOM 529 C SER A 64 16.753 -3.916 3.256 1.00 0.00 C ATOM 530 O SER A 64 15.970 -3.031 2.910 1.00 0.00 O ATOM 531 CB SER A 64 19.226 -3.751 2.911 1.00 0.00 C ATOM 532 OG SER A 64 20.487 -3.591 3.537 1.00 0.00 O ATOM 0 H SER A 64 19.175 -4.940 5.072 1.00 0.00 H new ATOM 0 HA SER A 64 18.054 -2.528 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.164 -4.741 2.460 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.123 -3.026 2.104 1.00 0.00 H new ATOM 0 HG SER A 64 21.199 -3.713 2.875 1.00 0.00 H new ATOM 538 N LEU A 65 16.500 -5.211 3.093 1.00 0.00 N ATOM 539 CA LEU A 65 15.261 -5.677 2.483 1.00 0.00 C ATOM 540 C LEU A 65 14.067 -5.346 3.372 1.00 0.00 C ATOM 541 O LEU A 65 12.994 -4.994 2.883 1.00 0.00 O ATOM 542 CB LEU A 65 15.327 -7.186 2.236 1.00 0.00 C ATOM 543 CG LEU A 65 14.648 -7.665 0.951 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.141 -7.496 1.048 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.195 -6.913 -0.253 1.00 0.00 C ATOM 0 H LEU A 65 17.137 -5.956 3.375 1.00 0.00 H new ATOM 0 HA LEU A 65 15.136 -5.166 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.374 -7.488 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.869 -7.697 3.083 1.00 0.00 H new ATOM 0 HG LEU A 65 14.866 -8.725 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.676 -7.842 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.763 -8.081 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.902 -6.444 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.701 -7.267 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.009 -5.846 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.268 -7.087 -0.334 1.00 0.00 H new ATOM 557 N ARG A 66 14.264 -5.460 4.682 1.00 0.00 N ATOM 558 CA ARG A 66 13.205 -5.171 5.642 1.00 0.00 C ATOM 559 C ARG A 66 12.900 -3.677 5.679 1.00 0.00 C ATOM 560 O ARG A 66 11.758 -3.272 5.897 1.00 0.00 O ATOM 561 CB ARG A 66 13.606 -5.656 7.037 1.00 0.00 C ATOM 562 CG ARG A 66 14.042 -7.112 7.073 1.00 0.00 C ATOM 563 CD ARG A 66 15.148 -7.339 8.092 1.00 0.00 C ATOM 564 NE ARG A 66 14.892 -8.511 8.926 1.00 0.00 N ATOM 565 CZ ARG A 66 15.683 -8.895 9.926 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.778 -8.205 10.219 1.00 0.00 N ATOM 567 NH2 ARG A 66 15.377 -9.973 10.635 1.00 0.00 N ATOM 0 H ARG A 66 15.147 -5.750 5.102 1.00 0.00 H new ATOM 0 HA ARG A 66 12.306 -5.700 5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.419 -5.033 7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.764 -5.521 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.187 -7.743 7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.389 -7.413 6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.099 -7.464 7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.244 -6.457 8.726 1.00 0.00 H new ATOM 0 HE ARG A 66 14.059 -9.067 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.018 -7.375 9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.380 -8.505 10.986 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.537 -10.507 10.414 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.982 -10.268 11.401 1.00 0.00 H new ATOM 581 N ASN A 67 13.928 -2.863 5.463 1.00 0.00 N ATOM 582 CA ASN A 67 13.770 -1.413 5.469 1.00 0.00 C ATOM 583 C ASN A 67 12.724 -0.976 4.449 1.00 0.00 C ATOM 584 O ASN A 67 11.836 -0.181 4.756 1.00 0.00 O ATOM 585 CB ASN A 67 15.106 -0.731 5.171 1.00 0.00 C ATOM 586 CG ASN A 67 15.894 -0.426 6.430 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.504 0.426 7.229 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.010 -1.122 6.613 1.00 0.00 N ATOM 0 H ASN A 67 14.879 -3.183 5.282 1.00 0.00 H new ATOM 0 HA ASN A 67 13.432 -1.114 6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.701 -1.372 4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.924 0.195 4.626 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.582 -0.960 7.442 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.295 -1.819 5.925 1.00 0.00 H new ATOM 595 N ARG A 68 12.835 -1.503 3.234 1.00 0.00 N ATOM 596 CA ARG A 68 11.897 -1.169 2.168 1.00 0.00 C ATOM 597 C ARG A 68 10.537 -1.814 2.420 1.00 0.00 C ATOM 598 O ARG A 68 9.506 -1.305 1.981 1.00 0.00 O ATOM 599 CB ARG A 68 12.449 -1.621 0.814 1.00 0.00 C ATOM 600 CG ARG A 68 12.552 -3.131 0.668 1.00 0.00 C ATOM 601 CD ARG A 68 12.722 -3.539 -0.787 1.00 0.00 C ATOM 602 NE ARG A 68 12.264 -4.905 -1.031 1.00 0.00 N ATOM 603 CZ ARG A 68 12.195 -5.459 -2.239 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.551 -4.768 -3.315 1.00 0.00 N ATOM 605 NH2 ARG A 68 11.770 -6.708 -2.372 1.00 0.00 N ATOM 0 H ARG A 68 13.564 -2.163 2.963 1.00 0.00 H new ATOM 0 HA ARG A 68 11.768 -0.087 2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.809 -1.231 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.437 -1.183 0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.397 -3.497 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.656 -3.599 1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.165 -2.851 -1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.772 -3.453 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 68 11.981 -5.467 -0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.880 -3.807 -3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.496 -5.198 -4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.496 -7.244 -1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.717 -7.133 -3.298 1.00 0.00 H new ATOM 619 N TYR A 69 10.543 -2.939 3.130 1.00 0.00 N ATOM 620 CA TYR A 69 9.313 -3.657 3.442 1.00 0.00 C ATOM 621 C TYR A 69 8.345 -2.772 4.222 1.00 0.00 C ATOM 622 O TYR A 69 7.190 -2.601 3.829 1.00 0.00 O ATOM 623 CB TYR A 69 9.630 -4.920 4.246 1.00 0.00 C ATOM 624 CG TYR A 69 8.407 -5.720 4.633 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.561 -5.286 5.646 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.100 -6.911 3.988 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.444 -6.015 6.004 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.984 -7.646 4.340 1.00 0.00 C ATOM 629 CZ TYR A 69 6.160 -7.194 5.349 1.00 0.00 C ATOM 630 OH TYR A 69 5.048 -7.923 5.703 1.00 0.00 O ATOM 0 H TYR A 69 11.389 -3.373 3.500 1.00 0.00 H new ATOM 0 HA TYR A 69 8.837 -3.939 2.503 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.297 -5.554 3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.169 -4.638 5.150 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.781 -4.363 6.162 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.744 -7.269 3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.796 -5.663 6.793 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.758 -8.570 3.828 1.00 0.00 H new ATOM 0 HH TYR A 69 4.244 -7.378 5.572 1.00 0.00 H new ATOM 640 N ASN A 70 8.821 -2.214 5.330 1.00 0.00 N ATOM 641 CA ASN A 70 7.996 -1.350 6.166 1.00 0.00 C ATOM 642 C ASN A 70 7.877 0.045 5.563 1.00 0.00 C ATOM 643 O ASN A 70 6.864 0.723 5.736 1.00 0.00 O ATOM 644 CB ASN A 70 8.583 -1.260 7.576 1.00 0.00 C ATOM 645 CG ASN A 70 7.510 -1.210 8.647 1.00 0.00 C ATOM 646 OD1 ASN A 70 6.329 -1.029 8.351 1.00 0.00 O ATOM 647 ND2 ASN A 70 7.918 -1.370 9.901 1.00 0.00 N ATOM 0 H ASN A 70 9.774 -2.345 5.670 1.00 0.00 H new ATOM 0 HA ASN A 70 6.999 -1.786 6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.229 -2.120 7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.208 -0.370 7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.242 -1.345 10.664 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.907 -1.518 10.101 1.00 0.00 H new ATOM 654 N ASN A 71 8.918 0.471 4.856 1.00 0.00 N ATOM 655 CA ASN A 71 8.929 1.787 4.230 1.00 0.00 C ATOM 656 C ASN A 71 7.850 1.892 3.157 1.00 0.00 C ATOM 657 O ASN A 71 7.027 2.808 3.179 1.00 0.00 O ATOM 658 CB ASN A 71 10.301 2.073 3.617 1.00 0.00 C ATOM 659 CG ASN A 71 11.238 2.762 4.590 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.218 2.486 5.790 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.065 3.666 4.077 1.00 0.00 N ATOM 0 H ASN A 71 9.765 -0.076 4.702 1.00 0.00 H new ATOM 0 HA ASN A 71 8.721 2.528 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.750 1.137 3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.177 2.697 2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.717 4.163 4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.048 3.863 3.076 1.00 0.00 H new ATOM 668 N LEU A 72 7.859 0.951 2.218 1.00 0.00 N ATOM 669 CA LEU A 72 6.879 0.943 1.137 1.00 0.00 C ATOM 670 C LEU A 72 5.459 0.865 1.686 1.00 0.00 C ATOM 671 O LEU A 72 4.553 1.535 1.188 1.00 0.00 O ATOM 672 CB LEU A 72 7.140 -0.229 0.187 1.00 0.00 C ATOM 673 CG LEU A 72 6.862 -1.618 0.769 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.376 -1.943 0.697 1.00 0.00 C ATOM 675 CD2 LEU A 72 7.676 -2.674 0.036 1.00 0.00 C ATOM 0 H LEU A 72 8.532 0.186 2.184 1.00 0.00 H new ATOM 0 HA LEU A 72 6.982 1.877 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.526 -0.097 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.181 -0.190 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 72 7.161 -1.617 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.200 -2.934 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.814 -1.203 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.050 -1.925 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.467 -3.655 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.407 -2.672 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.738 -2.452 0.141 1.00 0.00 H new ATOM 687 N TYR A 73 5.267 0.043 2.713 1.00 0.00 N ATOM 688 CA TYR A 73 3.952 -0.117 3.322 1.00 0.00 C ATOM 689 C TYR A 73 3.608 1.079 4.201 1.00 0.00 C ATOM 690 O TYR A 73 2.439 1.441 4.341 1.00 0.00 O ATOM 691 CB TYR A 73 3.893 -1.405 4.145 1.00 0.00 C ATOM 692 CG TYR A 73 2.487 -1.804 4.538 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.430 -1.664 3.646 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.217 -2.320 5.799 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.145 -2.025 4.000 1.00 0.00 C ATOM 696 CE2 TYR A 73 0.933 -2.683 6.160 1.00 0.00 C ATOM 697 CZ TYR A 73 -0.099 -2.534 5.257 1.00 0.00 C ATOM 698 OH TYR A 73 -1.378 -2.895 5.614 1.00 0.00 O ATOM 0 H TYR A 73 6.003 -0.521 3.139 1.00 0.00 H new ATOM 0 HA TYR A 73 3.218 -0.178 2.519 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.346 -2.214 3.572 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.492 -1.279 5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.617 -1.266 2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.023 -2.439 6.508 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.665 -1.909 3.295 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.739 -3.082 7.145 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.377 -3.236 6.533 1.00 0.00 H new ATOM 708 N SER A 74 4.630 1.694 4.790 1.00 0.00 N ATOM 709 CA SER A 74 4.428 2.854 5.652 1.00 0.00 C ATOM 710 C SER A 74 3.602 3.917 4.936 1.00 0.00 C ATOM 711 O SER A 74 2.764 4.584 5.545 1.00 0.00 O ATOM 712 CB SER A 74 5.775 3.439 6.078 1.00 0.00 C ATOM 713 OG SER A 74 5.606 4.683 6.736 1.00 0.00 O ATOM 0 H SER A 74 5.604 1.409 4.686 1.00 0.00 H new ATOM 0 HA SER A 74 3.885 2.530 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.285 2.740 6.741 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.411 3.571 5.203 1.00 0.00 H new ATOM 0 HG SER A 74 6.482 5.035 7.000 1.00 0.00 H new ATOM 719 N HIS A 75 3.840 4.063 3.637 1.00 0.00 N ATOM 720 CA HIS A 75 3.116 5.037 2.832 1.00 0.00 C ATOM 721 C HIS A 75 1.738 4.504 2.456 1.00 0.00 C ATOM 722 O HIS A 75 0.768 5.256 2.386 1.00 0.00 O ATOM 723 CB HIS A 75 3.907 5.377 1.568 1.00 0.00 C ATOM 724 CG HIS A 75 5.119 6.216 1.828 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.242 5.739 2.471 1.00 0.00 N ATOM 726 CD2 HIS A 75 5.383 7.510 1.526 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.142 6.702 2.555 1.00 0.00 C ATOM 728 NE2 HIS A 75 6.646 7.786 1.988 1.00 0.00 N ATOM 0 H HIS A 75 4.530 3.518 3.120 1.00 0.00 H new ATOM 0 HA HIS A 75 2.990 5.943 3.424 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.214 4.451 1.081 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.254 5.902 0.871 1.00 0.00 H new ATOM 0 HD1 HIS A 75 6.359 4.790 2.826 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.723 8.197 1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.118 6.617 3.010 1.00 0.00 H new ATOM 737 N THR A 76 1.659 3.199 2.216 1.00 0.00 N ATOM 738 CA THR A 76 0.398 2.565 1.849 1.00 0.00 C ATOM 739 C THR A 76 -0.638 2.736 2.956 1.00 0.00 C ATOM 740 O THR A 76 -1.833 2.857 2.688 1.00 0.00 O ATOM 741 CB THR A 76 0.613 1.078 1.566 1.00 0.00 C ATOM 742 OG1 THR A 76 1.575 0.895 0.543 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.652 0.362 1.141 1.00 0.00 C ATOM 0 H THR A 76 2.453 2.561 2.269 1.00 0.00 H new ATOM 0 HA THR A 76 0.026 3.050 0.947 1.00 0.00 H new ATOM 0 HB THR A 76 0.955 0.651 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.465 1.119 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.430 -0.689 0.956 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.398 0.442 1.932 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.039 0.817 0.229 1.00 0.00 H new ATOM 751 N GLN A 77 -0.172 2.738 4.200 1.00 0.00 N ATOM 752 CA GLN A 77 -1.059 2.885 5.350 1.00 0.00 C ATOM 753 C GLN A 77 -1.573 4.317 5.480 1.00 0.00 C ATOM 754 O GLN A 77 -2.766 4.540 5.684 1.00 0.00 O ATOM 755 CB GLN A 77 -0.332 2.475 6.632 1.00 0.00 C ATOM 756 CG GLN A 77 -0.205 0.970 6.803 1.00 0.00 C ATOM 757 CD GLN A 77 -0.556 0.510 8.205 1.00 0.00 C ATOM 758 OE1 GLN A 77 -1.623 -0.057 8.437 1.00 0.00 O ATOM 759 NE2 GLN A 77 0.345 0.755 9.150 1.00 0.00 N ATOM 0 H GLN A 77 0.815 2.640 4.439 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.917 2.231 5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.664 2.918 6.633 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.865 2.886 7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.857 0.470 6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.816 0.667 6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.217 1.228 8.913 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.165 0.470 10.113 1.00 0.00 H new ATOM 768 N ARG A 78 -0.666 5.284 5.374 1.00 0.00 N ATOM 769 CA ARG A 78 -1.036 6.692 5.493 1.00 0.00 C ATOM 770 C ARG A 78 -1.772 7.185 4.249 1.00 0.00 C ATOM 771 O ARG A 78 -2.659 8.035 4.340 1.00 0.00 O ATOM 772 CB ARG A 78 0.208 7.551 5.738 1.00 0.00 C ATOM 773 CG ARG A 78 1.259 7.434 4.647 1.00 0.00 C ATOM 774 CD ARG A 78 1.099 8.523 3.598 1.00 0.00 C ATOM 775 NE ARG A 78 1.496 9.835 4.106 1.00 0.00 N ATOM 776 CZ ARG A 78 2.760 10.247 4.188 1.00 0.00 C ATOM 777 NH1 ARG A 78 3.751 9.453 3.803 1.00 0.00 N ATOM 778 NH2 ARG A 78 3.032 11.457 4.658 1.00 0.00 N ATOM 0 H ARG A 78 0.327 5.120 5.207 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.711 6.785 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.094 8.594 5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.654 7.265 6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.253 7.498 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.184 6.456 4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.701 8.275 2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.060 8.560 3.270 1.00 0.00 H new ATOM 0 HE ARG A 78 0.762 10.472 4.416 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.547 8.521 3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.717 9.774 3.868 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.274 12.071 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.999 11.774 4.721 1.00 0.00 H new ATOM 792 N THR A 79 -1.398 6.656 3.089 1.00 0.00 N ATOM 793 CA THR A 79 -2.025 7.056 1.831 1.00 0.00 C ATOM 794 C THR A 79 -3.519 6.748 1.833 1.00 0.00 C ATOM 795 O THR A 79 -4.347 7.652 1.713 1.00 0.00 O ATOM 796 CB THR A 79 -1.354 6.358 0.647 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.224 4.968 0.887 1.00 0.00 O ATOM 798 CG2 THR A 79 0.021 6.906 0.334 1.00 0.00 C ATOM 0 H THR A 79 -0.667 5.952 2.992 1.00 0.00 H new ATOM 0 HA THR A 79 -1.896 8.134 1.729 1.00 0.00 H new ATOM 0 HB THR A 79 -2.005 6.547 -0.207 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.454 4.808 1.472 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.442 6.368 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.056 7.966 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.669 6.779 1.201 1.00 0.00 H new ATOM 806 N LEU A 80 -3.862 5.470 1.966 1.00 0.00 N ATOM 807 CA LEU A 80 -5.262 5.053 1.977 1.00 0.00 C ATOM 808 C LEU A 80 -6.053 5.824 3.031 1.00 0.00 C ATOM 809 O LEU A 80 -7.249 6.063 2.871 1.00 0.00 O ATOM 810 CB LEU A 80 -5.377 3.549 2.239 1.00 0.00 C ATOM 811 CG LEU A 80 -4.517 2.655 1.341 1.00 0.00 C ATOM 812 CD1 LEU A 80 -4.417 1.255 1.923 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.088 2.611 -0.064 1.00 0.00 C ATOM 0 H LEU A 80 -3.193 4.707 2.067 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.682 5.274 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.108 3.357 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.420 3.256 2.121 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.513 3.077 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.802 0.633 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.963 1.304 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.414 0.822 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.465 1.972 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.102 2.212 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.108 3.618 -0.480 1.00 0.00 H new ATOM 825 N ASP A 81 -5.375 6.211 4.108 1.00 0.00 N ATOM 826 CA ASP A 81 -6.015 6.957 5.186 1.00 0.00 C ATOM 827 C ASP A 81 -6.597 8.268 4.666 1.00 0.00 C ATOM 828 O ASP A 81 -7.748 8.603 4.945 1.00 0.00 O ATOM 829 CB ASP A 81 -5.013 7.237 6.308 1.00 0.00 C ATOM 830 CG ASP A 81 -5.598 6.978 7.683 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.699 7.495 7.966 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.954 6.259 8.476 1.00 0.00 O ATOM 0 H ASP A 81 -4.384 6.020 4.257 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.829 6.350 5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.131 6.612 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.683 8.274 6.246 1.00 0.00 H new ATOM 837 N MET A 82 -5.793 9.003 3.904 1.00 0.00 N ATOM 838 CA MET A 82 -6.228 10.275 3.338 1.00 0.00 C ATOM 839 C MET A 82 -7.361 10.060 2.340 1.00 0.00 C ATOM 840 O MET A 82 -8.225 10.921 2.172 1.00 0.00 O ATOM 841 CB MET A 82 -5.055 10.980 2.654 1.00 0.00 C ATOM 842 CG MET A 82 -3.828 11.121 3.541 1.00 0.00 C ATOM 843 SD MET A 82 -2.393 11.752 2.649 1.00 0.00 S ATOM 844 CE MET A 82 -2.354 10.651 1.237 1.00 0.00 C ATOM 0 H MET A 82 -4.837 8.740 3.664 1.00 0.00 H new ATOM 0 HA MET A 82 -6.594 10.903 4.150 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.782 10.425 1.756 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.376 11.971 2.331 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.059 11.790 4.370 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.584 10.151 3.974 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.326 10.345 1.042 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.961 9.770 1.446 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.751 11.167 0.363 1.00 0.00 H new ATOM 854 N ALA A 83 -7.353 8.904 1.684 1.00 0.00 N ATOM 855 CA ALA A 83 -8.381 8.574 0.705 1.00 0.00 C ATOM 856 C ALA A 83 -9.725 8.345 1.385 1.00 0.00 C ATOM 857 O ALA A 83 -10.729 8.954 1.016 1.00 0.00 O ATOM 858 CB ALA A 83 -7.975 7.344 -0.092 1.00 0.00 C ATOM 0 H ALA A 83 -6.646 8.180 1.813 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.485 9.417 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.752 7.109 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.038 7.541 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.844 6.499 0.584 1.00 0.00 H new ATOM 864 N ASP A 84 -9.737 7.465 2.381 1.00 0.00 N ATOM 865 CA ASP A 84 -10.958 7.155 3.116 1.00 0.00 C ATOM 866 C ASP A 84 -11.173 8.146 4.257 1.00 0.00 C ATOM 867 O ASP A 84 -11.360 7.753 5.408 1.00 0.00 O ATOM 868 CB ASP A 84 -10.900 5.728 3.663 1.00 0.00 C ATOM 869 CG ASP A 84 -12.276 5.167 3.963 1.00 0.00 C ATOM 870 OD1 ASP A 84 -13.030 4.900 3.003 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.600 4.995 5.156 1.00 0.00 O ATOM 0 H ASP A 84 -8.914 6.953 2.698 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.799 7.237 2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.398 5.085 2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.299 5.715 4.572 1.00 0.00 H new ATOM 876 N MET A 85 -11.144 9.434 3.928 1.00 0.00 N ATOM 877 CA MET A 85 -11.335 10.482 4.922 1.00 0.00 C ATOM 878 C MET A 85 -12.381 11.491 4.457 1.00 0.00 C ATOM 879 O MET A 85 -13.264 11.883 5.219 1.00 0.00 O ATOM 880 CB MET A 85 -10.010 11.195 5.199 1.00 0.00 C ATOM 881 CG MET A 85 -9.868 11.678 6.633 1.00 0.00 C ATOM 882 SD MET A 85 -9.362 10.366 7.761 1.00 0.00 S ATOM 883 CE MET A 85 -10.954 9.717 8.262 1.00 0.00 C ATOM 0 H MET A 85 -10.990 9.776 2.980 1.00 0.00 H new ATOM 0 HA MET A 85 -11.691 10.017 5.841 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.187 10.518 4.969 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.918 12.048 4.526 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.137 12.485 6.670 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.818 12.093 6.968 1.00 0.00 H new ATOM 0 HE1 MET A 85 -10.939 9.500 9.330 1.00 0.00 H new ATOM 0 HE2 MET A 85 -11.730 10.454 8.052 1.00 0.00 H new ATOM 0 HE3 MET A 85 -11.164 8.801 7.709 1.00 0.00 H new ATOM 893 N GLN A 86 -12.268 11.911 3.200 1.00 0.00 N ATOM 894 CA GLN A 86 -13.197 12.880 2.623 1.00 0.00 C ATOM 895 C GLN A 86 -14.652 12.460 2.830 1.00 0.00 C ATOM 896 O GLN A 86 -15.550 13.301 2.853 1.00 0.00 O ATOM 897 CB GLN A 86 -12.917 13.058 1.130 1.00 0.00 C ATOM 898 CG GLN A 86 -13.584 14.284 0.527 1.00 0.00 C ATOM 899 CD GLN A 86 -14.730 13.929 -0.400 1.00 0.00 C ATOM 900 OE1 GLN A 86 -14.455 13.081 -1.384 1.00 0.00 O flip ATOM 901 NE2 GLN A 86 -15.850 14.413 -0.235 1.00 0.00 N flip ATOM 0 H GLN A 86 -11.540 11.595 2.559 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.043 13.828 3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.840 13.128 0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.257 12.170 0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.955 14.922 1.329 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.842 14.862 -0.024 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -16.017 15.061 0.535 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -16.611 14.166 -0.868 1.00 0.00 H new ATOM 910 N HIS A 87 -14.880 11.158 2.978 1.00 0.00 N ATOM 911 CA HIS A 87 -16.230 10.640 3.180 1.00 0.00 C ATOM 912 C HIS A 87 -16.755 11.017 4.563 1.00 0.00 C ATOM 913 O HIS A 87 -16.966 10.156 5.416 1.00 0.00 O ATOM 914 CB HIS A 87 -16.255 9.118 3.012 1.00 0.00 C ATOM 915 CG HIS A 87 -15.399 8.614 1.891 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.039 8.424 2.010 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.718 8.249 0.626 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.559 7.966 0.868 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.556 7.851 0.013 1.00 0.00 N ATOM 0 H HIS A 87 -14.151 10.445 2.962 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.877 11.089 2.426 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.927 8.655 3.942 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.283 8.798 2.842 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.703 8.268 0.183 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.525 7.726 0.668 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.477 7.520 -0.948 1.00 0.00 H new ATOM 1110 N LEU A 101 -4.827 16.925 0.333 1.00 0.00 N ATOM 1111 CA LEU A 101 -5.314 16.874 -1.040 1.00 0.00 C ATOM 1112 C LEU A 101 -5.972 15.525 -1.330 1.00 0.00 C ATOM 1113 O LEU A 101 -5.461 14.480 -0.928 1.00 0.00 O ATOM 1114 CB LEU A 101 -4.166 17.121 -2.020 1.00 0.00 C ATOM 1115 CG LEU A 101 -3.319 18.361 -1.719 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -1.837 18.020 -1.732 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -3.620 19.469 -2.717 1.00 0.00 C ATOM 0 HA LEU A 101 -6.061 17.657 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.516 16.246 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.579 17.215 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.578 18.715 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.256 18.916 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.631 17.263 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.561 17.636 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.009 20.342 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.393 19.122 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.674 19.738 -2.655 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.122 15.526 -2.028 1.00 0.00 N ATOM 1130 CA PRO A 102 -7.846 14.293 -2.359 1.00 0.00 C ATOM 1131 C PRO A 102 -7.071 13.395 -3.316 1.00 0.00 C ATOM 1132 O PRO A 102 -7.231 12.175 -3.302 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.136 14.788 -3.030 1.00 0.00 C ATOM 1134 CG PRO A 102 -9.225 16.240 -2.704 1.00 0.00 C ATOM 1135 CD PRO A 102 -7.813 16.717 -2.542 1.00 0.00 C ATOM 0 HA PRO A 102 -8.018 13.686 -1.470 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.103 14.629 -4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.005 14.248 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.733 16.787 -3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.798 16.400 -1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.389 17.053 -3.488 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.746 17.554 -1.847 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.239 14.003 -4.155 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.454 13.248 -5.125 1.00 0.00 C ATOM 1145 C HIS A 103 -4.134 12.759 -4.528 1.00 0.00 C ATOM 1146 O HIS A 103 -3.457 11.915 -5.116 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.193 14.092 -6.376 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.152 15.156 -6.195 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.862 15.730 -4.974 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -3.329 15.750 -7.092 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -2.908 16.631 -5.129 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -2.567 16.661 -6.404 1.00 0.00 N ATOM 0 H HIS A 103 -6.091 15.012 -4.183 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.035 12.369 -5.405 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -4.885 13.433 -7.187 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.127 14.562 -6.684 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.281 15.545 -8.151 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.480 17.239 -4.346 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -1.853 17.264 -6.812 1.00 0.00 H new ATOM 1161 N GLU A 104 -3.771 13.283 -3.359 1.00 0.00 N ATOM 1162 CA GLU A 104 -2.533 12.879 -2.701 1.00 0.00 C ATOM 1163 C GLU A 104 -2.539 11.380 -2.427 1.00 0.00 C ATOM 1164 O GLU A 104 -1.507 10.715 -2.519 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.343 13.648 -1.392 1.00 0.00 C ATOM 1166 CG GLU A 104 -1.492 14.898 -1.539 1.00 0.00 C ATOM 1167 CD GLU A 104 -0.008 14.590 -1.586 1.00 0.00 C ATOM 1168 OE1 GLU A 104 0.562 14.250 -0.528 1.00 0.00 O ATOM 1169 OE2 GLU A 104 0.585 14.690 -2.681 1.00 0.00 O ATOM 0 H GLU A 104 -4.313 13.983 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.702 13.112 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.321 13.928 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.882 12.989 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.779 15.424 -2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.694 15.571 -0.705 1.00 0.00 H new ATOM 1176 N ASN A 105 -3.712 10.855 -2.091 1.00 0.00 N ATOM 1177 CA ASN A 105 -3.861 9.434 -1.804 1.00 0.00 C ATOM 1178 C ASN A 105 -3.933 8.623 -3.094 1.00 0.00 C ATOM 1179 O ASN A 105 -3.237 7.621 -3.249 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.120 9.195 -0.968 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.353 9.827 -1.584 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -6.913 9.309 -2.550 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -6.783 10.953 -1.026 1.00 0.00 N ATOM 0 H ASN A 105 -4.575 11.393 -2.011 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.988 9.107 -1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.281 8.123 -0.858 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.970 9.599 0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.608 11.423 -1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.288 11.347 -0.226 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.786 9.066 -4.015 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.967 8.388 -5.296 1.00 0.00 C ATOM 1192 C VAL A 106 -3.632 8.063 -5.964 1.00 0.00 C ATOM 1193 O VAL A 106 -3.256 6.897 -6.084 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.812 9.244 -6.259 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -6.129 8.473 -7.531 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -7.090 9.709 -5.576 1.00 0.00 C ATOM 0 H VAL A 106 -5.366 9.897 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.487 7.454 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.231 10.124 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.726 9.097 -8.196 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.200 8.197 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.688 7.572 -7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.675 10.312 -6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.674 8.842 -5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.838 10.306 -4.700 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.926 9.098 -6.406 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.639 8.921 -7.071 1.00 0.00 C ATOM 1208 C ASP A 107 -0.666 8.132 -6.200 1.00 0.00 C ATOM 1209 O ASP A 107 -0.098 7.131 -6.636 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.036 10.282 -7.426 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.458 10.311 -8.827 1.00 0.00 C ATOM 1212 OD1 ASP A 107 0.078 9.273 -9.270 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -0.541 11.371 -9.482 1.00 0.00 O ATOM 0 H ASP A 107 -3.223 10.070 -6.316 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.811 8.353 -7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.804 11.051 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.254 10.528 -6.708 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.472 8.592 -4.969 1.00 0.00 N ATOM 1219 CA ASP A 108 0.440 7.932 -4.042 1.00 0.00 C ATOM 1220 C ASP A 108 0.054 6.471 -3.825 1.00 0.00 C ATOM 1221 O ASP A 108 0.902 5.641 -3.497 1.00 0.00 O ATOM 1222 CB ASP A 108 0.465 8.670 -2.703 1.00 0.00 C ATOM 1223 CG ASP A 108 1.703 8.349 -1.889 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.157 7.186 -1.934 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.218 9.259 -1.208 1.00 0.00 O ATOM 0 H ASP A 108 -0.934 9.419 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 108 1.436 7.957 -4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.420 9.744 -2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.423 8.405 -2.129 1.00 0.00 H new ATOM 1230 N MET A 109 -1.226 6.158 -4.010 1.00 0.00 N ATOM 1231 CA MET A 109 -1.703 4.791 -3.833 1.00 0.00 C ATOM 1232 C MET A 109 -1.019 3.854 -4.820 1.00 0.00 C ATOM 1233 O MET A 109 -0.403 2.862 -4.429 1.00 0.00 O ATOM 1234 CB MET A 109 -3.221 4.721 -4.013 1.00 0.00 C ATOM 1235 CG MET A 109 -3.949 4.195 -2.789 1.00 0.00 C ATOM 1236 SD MET A 109 -4.461 5.510 -1.668 1.00 0.00 S ATOM 1237 CE MET A 109 -6.240 5.336 -1.746 1.00 0.00 C ATOM 0 H MET A 109 -1.946 6.828 -4.280 1.00 0.00 H new ATOM 0 HA MET A 109 -1.456 4.475 -2.819 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.598 5.716 -4.251 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.449 4.081 -4.865 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.826 3.632 -3.107 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.300 3.500 -2.256 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.667 6.196 -2.261 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.493 4.425 -2.289 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.645 5.280 -0.735 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.128 4.182 -6.102 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.515 3.378 -7.154 1.00 0.00 C ATOM 1249 C ARG A 110 0.973 3.185 -6.882 1.00 0.00 C ATOM 1250 O ARG A 110 1.568 2.191 -7.296 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.715 4.041 -8.520 1.00 0.00 C ATOM 1252 CG ARG A 110 -2.094 4.654 -8.705 1.00 0.00 C ATOM 1253 CD ARG A 110 -2.633 4.411 -10.105 1.00 0.00 C ATOM 1254 NE ARG A 110 -4.082 4.580 -10.171 1.00 0.00 N ATOM 1255 CZ ARG A 110 -4.796 4.444 -11.286 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -4.199 4.136 -12.431 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -6.110 4.616 -11.256 1.00 0.00 N ATOM 0 H ARG A 110 -1.636 5.000 -6.439 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.999 2.401 -7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.039 4.817 -8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.549 3.300 -9.302 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.781 4.232 -7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.044 5.726 -8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.156 5.100 -10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.371 3.402 -10.424 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.577 4.816 -9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.188 4.002 -12.459 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.751 4.033 -13.282 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.573 4.852 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.658 4.512 -12.110 1.00 0.00 H new ATOM 1271 N SER A 111 1.565 4.143 -6.175 1.00 0.00 N ATOM 1272 CA SER A 111 2.981 4.079 -5.837 1.00 0.00 C ATOM 1273 C SER A 111 3.261 2.885 -4.931 1.00 0.00 C ATOM 1274 O SER A 111 4.297 2.232 -5.048 1.00 0.00 O ATOM 1275 CB SER A 111 3.423 5.372 -5.149 1.00 0.00 C ATOM 1276 OG SER A 111 2.788 6.500 -5.727 1.00 0.00 O ATOM 0 H SER A 111 1.085 4.972 -5.826 1.00 0.00 H new ATOM 0 HA SER A 111 3.548 3.959 -6.760 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.185 5.322 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.505 5.479 -5.229 1.00 0.00 H new ATOM 0 HG SER A 111 3.297 7.309 -5.510 1.00 0.00 H new ATOM 1282 N ALA A 112 2.327 2.604 -4.028 1.00 0.00 N ATOM 1283 CA ALA A 112 2.472 1.486 -3.105 1.00 0.00 C ATOM 1284 C ALA A 112 2.578 0.167 -3.863 1.00 0.00 C ATOM 1285 O ALA A 112 3.450 -0.654 -3.580 1.00 0.00 O ATOM 1286 CB ALA A 112 1.304 1.446 -2.130 1.00 0.00 C ATOM 0 H ALA A 112 1.463 3.135 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 112 3.393 1.629 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.428 0.605 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.274 2.374 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.372 1.330 -2.683 1.00 0.00 H new ATOM 1292 N ILE A 113 1.686 -0.029 -4.829 1.00 0.00 N ATOM 1293 CA ILE A 113 1.685 -1.249 -5.627 1.00 0.00 C ATOM 1294 C ILE A 113 2.993 -1.396 -6.401 1.00 0.00 C ATOM 1295 O ILE A 113 3.430 -2.508 -6.692 1.00 0.00 O ATOM 1296 CB ILE A 113 0.482 -1.288 -6.601 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.098 -2.702 -6.668 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.876 -0.808 -7.993 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.270 -2.918 -5.736 1.00 0.00 C ATOM 0 H ILE A 113 0.957 0.640 -5.077 1.00 0.00 H new ATOM 0 HA ILE A 113 1.591 -2.088 -4.937 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.281 -0.609 -6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.414 -2.908 -7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.686 -3.420 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.008 -0.848 -8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.240 0.218 -7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.662 -1.450 -8.390 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.631 -3.942 -5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.954 -2.744 -4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.071 -2.225 -5.992 1.00 0.00 H new ATOM 1311 N THR A 114 3.616 -0.267 -6.729 1.00 0.00 N ATOM 1312 CA THR A 114 4.876 -0.280 -7.463 1.00 0.00 C ATOM 1313 C THR A 114 5.940 -1.033 -6.673 1.00 0.00 C ATOM 1314 O THR A 114 6.759 -1.754 -7.242 1.00 0.00 O ATOM 1315 CB THR A 114 5.345 1.148 -7.746 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.358 1.868 -8.463 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.628 1.208 -8.546 1.00 0.00 C ATOM 0 H THR A 114 3.270 0.664 -6.499 1.00 0.00 H new ATOM 0 HA THR A 114 4.716 -0.789 -8.413 1.00 0.00 H new ATOM 0 HB THR A 114 5.524 1.592 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.565 1.986 -7.899 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.905 2.249 -8.712 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.423 0.704 -7.997 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.481 0.714 -9.507 1.00 0.00 H new ATOM 1325 N ASP A 115 5.911 -0.865 -5.355 1.00 0.00 N ATOM 1326 CA ASP A 115 6.862 -1.534 -4.477 1.00 0.00 C ATOM 1327 C ASP A 115 6.349 -2.918 -4.092 1.00 0.00 C ATOM 1328 O ASP A 115 7.112 -3.882 -4.036 1.00 0.00 O ATOM 1329 CB ASP A 115 7.107 -0.698 -3.221 1.00 0.00 C ATOM 1330 CG ASP A 115 8.508 -0.878 -2.670 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.015 -2.019 -2.699 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.098 0.122 -2.209 1.00 0.00 O ATOM 0 H ASP A 115 5.238 -0.270 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 115 7.804 -1.646 -5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.943 0.355 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.381 -0.974 -2.457 1.00 0.00 H new ATOM 1337 N TRP A 116 5.047 -3.006 -3.833 1.00 0.00 N ATOM 1338 CA TRP A 116 4.426 -4.272 -3.461 1.00 0.00 C ATOM 1339 C TRP A 116 4.497 -5.262 -4.617 1.00 0.00 C ATOM 1340 O TRP A 116 4.927 -6.403 -4.446 1.00 0.00 O ATOM 1341 CB TRP A 116 2.969 -4.049 -3.052 1.00 0.00 C ATOM 1342 CG TRP A 116 2.806 -3.705 -1.604 1.00 0.00 C ATOM 1343 CD1 TRP A 116 2.816 -2.456 -1.052 1.00 0.00 C ATOM 1344 CD2 TRP A 116 2.613 -4.622 -0.521 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.639 -2.541 0.308 1.00 0.00 N ATOM 1346 CE2 TRP A 116 2.513 -3.859 0.658 1.00 0.00 C ATOM 1347 CE3 TRP A 116 2.513 -6.013 -0.434 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.319 -4.442 1.907 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 2.320 -6.590 0.807 1.00 0.00 C ATOM 1350 CH2 TRP A 116 2.225 -5.805 1.963 1.00 0.00 C ATOM 0 H TRP A 116 4.403 -2.216 -3.874 1.00 0.00 H new ATOM 0 HA TRP A 116 4.972 -4.686 -2.613 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.547 -3.247 -3.658 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.396 -4.950 -3.271 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.944 -1.536 -1.603 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.607 -1.751 0.952 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.585 -6.626 -1.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.245 -3.839 2.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.241 -7.664 0.887 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.074 -6.286 2.918 1.00 0.00 H new ATOM 1361 N SER A 117 4.080 -4.813 -5.796 1.00 0.00 N ATOM 1362 CA SER A 117 4.104 -5.653 -6.987 1.00 0.00 C ATOM 1363 C SER A 117 5.521 -6.139 -7.267 1.00 0.00 C ATOM 1364 O SER A 117 5.748 -7.325 -7.513 1.00 0.00 O ATOM 1365 CB SER A 117 3.568 -4.881 -8.194 1.00 0.00 C ATOM 1366 OG SER A 117 3.144 -5.764 -9.218 1.00 0.00 O ATOM 0 H SER A 117 3.721 -3.871 -5.952 1.00 0.00 H new ATOM 0 HA SER A 117 3.465 -6.518 -6.810 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.734 -4.251 -7.885 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.343 -4.218 -8.579 1.00 0.00 H new ATOM 0 HG SER A 117 2.804 -5.246 -9.977 1.00 0.00 H new ATOM 1372 N ASP A 118 6.473 -5.213 -7.218 1.00 0.00 N ATOM 1373 CA ASP A 118 7.873 -5.539 -7.457 1.00 0.00 C ATOM 1374 C ASP A 118 8.372 -6.541 -6.423 1.00 0.00 C ATOM 1375 O ASP A 118 9.190 -7.409 -6.727 1.00 0.00 O ATOM 1376 CB ASP A 118 8.729 -4.272 -7.410 1.00 0.00 C ATOM 1377 CG ASP A 118 10.153 -4.519 -7.868 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.393 -4.510 -9.094 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.028 -4.722 -7.001 1.00 0.00 O ATOM 0 H ASP A 118 6.299 -4.229 -7.014 1.00 0.00 H new ATOM 0 HA ASP A 118 7.957 -5.986 -8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.275 -3.507 -8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.740 -3.882 -6.392 1.00 0.00 H new ATOM 1384 N MET A 119 7.869 -6.415 -5.199 1.00 0.00 N ATOM 1385 CA MET A 119 8.258 -7.310 -4.117 1.00 0.00 C ATOM 1386 C MET A 119 7.721 -8.715 -4.360 1.00 0.00 C ATOM 1387 O MET A 119 8.391 -9.704 -4.068 1.00 0.00 O ATOM 1388 CB MET A 119 7.744 -6.779 -2.777 1.00 0.00 C ATOM 1389 CG MET A 119 8.455 -7.376 -1.574 1.00 0.00 C ATOM 1390 SD MET A 119 8.029 -6.543 -0.032 1.00 0.00 S ATOM 1391 CE MET A 119 9.656 -6.121 0.583 1.00 0.00 C ATOM 0 H MET A 119 7.191 -5.701 -4.932 1.00 0.00 H new ATOM 0 HA MET A 119 9.347 -7.355 -4.087 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.860 -5.695 -2.756 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.677 -6.987 -2.698 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.201 -8.433 -1.494 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.533 -7.318 -1.728 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.640 -6.106 1.673 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.378 -6.862 0.241 1.00 0.00 H new ATOM 0 HE3 MET A 119 9.942 -5.137 0.211 1.00 0.00 H new ATOM 1401 N ARG A 120 6.509 -8.797 -4.898 1.00 0.00 N ATOM 1402 CA ARG A 120 5.883 -10.085 -5.181 1.00 0.00 C ATOM 1403 C ARG A 120 6.804 -10.966 -6.020 1.00 0.00 C ATOM 1404 O ARG A 120 6.951 -12.159 -5.753 1.00 0.00 O ATOM 1405 CB ARG A 120 4.553 -9.882 -5.907 1.00 0.00 C ATOM 1406 CG ARG A 120 3.737 -11.157 -6.050 1.00 0.00 C ATOM 1407 CD ARG A 120 2.484 -11.120 -5.189 1.00 0.00 C ATOM 1408 NE ARG A 120 1.416 -11.950 -5.741 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.134 -11.828 -5.406 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.244 -10.913 -4.523 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.773 -12.624 -5.956 1.00 0.00 N ATOM 0 H ARG A 120 5.940 -7.988 -5.147 1.00 0.00 H new ATOM 0 HA ARG A 120 5.697 -10.586 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.963 -9.142 -5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.748 -9.472 -6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.457 -11.295 -7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.348 -12.014 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.725 -11.462 -4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.135 -10.091 -5.101 1.00 0.00 H new ATOM 0 HE ARG A 120 1.668 -12.665 -6.423 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.450 -10.298 -4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.228 -10.824 -4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.488 -13.329 -6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.756 -12.531 -5.700 1.00 0.00 H new ATOM 1425 N GLU A 121 7.423 -10.369 -7.033 1.00 0.00 N ATOM 1426 CA GLU A 121 8.331 -11.099 -7.912 1.00 0.00 C ATOM 1427 C GLU A 121 9.727 -11.191 -7.302 1.00 0.00 C ATOM 1428 O GLU A 121 10.431 -12.184 -7.488 1.00 0.00 O ATOM 1429 CB GLU A 121 8.405 -10.418 -9.280 1.00 0.00 C ATOM 1430 CG GLU A 121 7.208 -10.709 -10.169 1.00 0.00 C ATOM 1431 CD GLU A 121 7.309 -10.034 -11.523 1.00 0.00 C ATOM 1432 OE1 GLU A 121 7.966 -10.601 -12.421 1.00 0.00 O ATOM 1433 OE2 GLU A 121 6.733 -8.938 -11.684 1.00 0.00 O ATOM 0 H GLU A 121 7.313 -9.382 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 121 7.942 -12.110 -8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.487 -9.341 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.313 -10.742 -9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.118 -11.786 -10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.299 -10.376 -9.668 1.00 0.00 H new ATOM 1440 N ALA A 122 10.122 -10.150 -6.577 1.00 0.00 N ATOM 1441 CA ALA A 122 11.435 -10.113 -5.944 1.00 0.00 C ATOM 1442 C ALA A 122 11.512 -11.081 -4.767 1.00 0.00 C ATOM 1443 O ALA A 122 12.343 -11.988 -4.750 1.00 0.00 O ATOM 1444 CB ALA A 122 11.758 -8.699 -5.485 1.00 0.00 C ATOM 0 H ALA A 122 9.551 -9.321 -6.413 1.00 0.00 H new ATOM 0 HA ALA A 122 12.173 -10.425 -6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.741 -8.685 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.758 -8.029 -6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.007 -8.369 -4.767 1.00 0.00 H new ATOM 1450 N LEU A 123 10.640 -10.879 -3.784 1.00 0.00 N ATOM 1451 CA LEU A 123 10.608 -11.730 -2.599 1.00 0.00 C ATOM 1452 C LEU A 123 10.470 -13.202 -2.981 1.00 0.00 C ATOM 1453 O LEU A 123 11.173 -14.059 -2.446 1.00 0.00 O ATOM 1454 CB LEU A 123 9.454 -11.317 -1.680 1.00 0.00 C ATOM 1455 CG LEU A 123 9.851 -11.018 -0.234 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.974 -9.993 -0.189 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.646 -10.529 0.558 1.00 0.00 C ATOM 0 H LEU A 123 9.945 -10.132 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 123 11.551 -11.602 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.975 -10.432 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.709 -12.112 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 123 10.212 -11.940 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.243 -9.793 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.843 -10.381 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.642 -9.069 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.946 -10.321 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.256 -9.619 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.872 -11.297 0.555 1.00 0.00 H new ATOM 1469 N GLN A 124 9.561 -13.487 -3.908 1.00 0.00 N ATOM 1470 CA GLN A 124 9.334 -14.856 -4.358 1.00 0.00 C ATOM 1471 C GLN A 124 10.620 -15.473 -4.900 1.00 0.00 C ATOM 1472 O GLN A 124 10.981 -16.594 -4.544 1.00 0.00 O ATOM 1473 CB GLN A 124 8.246 -14.889 -5.433 1.00 0.00 C ATOM 1474 CG GLN A 124 6.846 -15.090 -4.877 1.00 0.00 C ATOM 1475 CD GLN A 124 6.069 -16.158 -5.622 1.00 0.00 C ATOM 1476 OE1 GLN A 124 6.549 -17.276 -5.806 1.00 0.00 O ATOM 1477 NE2 GLN A 124 4.861 -15.816 -6.056 1.00 0.00 N ATOM 0 H GLN A 124 8.971 -12.790 -4.362 1.00 0.00 H new ATOM 0 HA GLN A 124 9.005 -15.443 -3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.274 -13.955 -5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.467 -15.691 -6.137 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.913 -15.363 -3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.301 -14.148 -4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.503 -14.877 -5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 124 4.291 -16.492 -6.565 1.00 0.00 H new ATOM 1486 N HIS A 125 11.306 -14.731 -5.763 1.00 0.00 N ATOM 1487 CA HIS A 125 12.553 -15.204 -6.354 1.00 0.00 C ATOM 1488 C HIS A 125 13.635 -15.362 -5.291 1.00 0.00 C ATOM 1489 O HIS A 125 14.383 -16.340 -5.293 1.00 0.00 O ATOM 1490 CB HIS A 125 13.025 -14.235 -7.440 1.00 0.00 C ATOM 1491 CG HIS A 125 14.004 -14.840 -8.398 1.00 0.00 C ATOM 1492 ND1 HIS A 125 13.711 -15.079 -9.724 1.00 0.00 N ATOM 1493 CD2 HIS A 125 15.281 -15.253 -8.217 1.00 0.00 C ATOM 1494 CE1 HIS A 125 14.763 -15.614 -10.316 1.00 0.00 C ATOM 1495 NE2 HIS A 125 15.729 -15.730 -9.424 1.00 0.00 N ATOM 0 H HIS A 125 11.020 -13.801 -6.069 1.00 0.00 H new ATOM 0 HA HIS A 125 12.367 -16.180 -6.802 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.159 -13.876 -7.996 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.482 -13.366 -6.966 1.00 0.00 H new ATOM 0 HD2 HIS A 125 15.842 -15.214 -7.295 1.00 0.00 H new ATOM 0 HE1 HIS A 125 14.823 -15.907 -11.354 1.00 0.00 H new ATOM 0 HE2 HIS A 125 16.658 -16.112 -9.602 1.00 0.00 H new ATOM 1504 N ALA A 126 13.712 -14.392 -4.385 1.00 0.00 N ATOM 1505 CA ALA A 126 14.703 -14.421 -3.316 1.00 0.00 C ATOM 1506 C ALA A 126 14.399 -15.527 -2.311 1.00 0.00 C ATOM 1507 O ALA A 126 15.309 -16.157 -1.772 1.00 0.00 O ATOM 1508 CB ALA A 126 14.762 -13.072 -2.616 1.00 0.00 C ATOM 0 H ALA A 126 13.100 -13.576 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 126 15.675 -14.631 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.506 -13.107 -1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.037 -12.301 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.786 -12.840 -2.190 1.00 0.00 H new ATOM 1514 N MET A 127 13.113 -15.759 -2.064 1.00 0.00 N ATOM 1515 CA MET A 127 12.689 -16.791 -1.123 1.00 0.00 C ATOM 1516 C MET A 127 13.248 -18.153 -1.521 1.00 0.00 C ATOM 1517 O MET A 127 13.818 -18.868 -0.697 1.00 0.00 O ATOM 1518 CB MET A 127 11.162 -16.854 -1.056 1.00 0.00 C ATOM 1519 CG MET A 127 10.633 -17.428 0.248 1.00 0.00 C ATOM 1520 SD MET A 127 8.961 -18.085 0.091 1.00 0.00 S ATOM 1521 CE MET A 127 8.049 -16.599 -0.318 1.00 0.00 C ATOM 0 H MET A 127 12.347 -15.247 -2.502 1.00 0.00 H new ATOM 0 HA MET A 127 13.079 -16.532 -0.139 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.759 -15.850 -1.191 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.795 -17.459 -1.885 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.300 -18.220 0.589 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.644 -16.652 1.013 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.180 -16.514 0.335 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.691 -15.729 -0.183 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.719 -16.649 -1.356 1.00 0.00 H new ATOM 1531 N GLY A 128 13.083 -18.504 -2.792 1.00 0.00 N ATOM 1532 CA GLY A 128 13.578 -19.779 -3.280 1.00 0.00 C ATOM 1533 C GLY A 128 12.849 -20.250 -4.524 1.00 0.00 C ATOM 1534 O GLY A 128 12.572 -21.440 -4.674 1.00 0.00 O ATOM 0 H GLY A 128 12.616 -17.929 -3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.642 -19.692 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.474 -20.529 -2.496 1.00 0.00 H new ATOM 1538 N ILE A 129 12.539 -19.316 -5.418 1.00 0.00 N ATOM 1539 CA ILE A 129 11.840 -19.644 -6.655 1.00 0.00 C ATOM 1540 C ILE A 129 12.520 -18.995 -7.856 1.00 0.00 C ATOM 1541 O ILE A 129 13.249 -18.013 -7.713 1.00 0.00 O ATOM 1542 CB ILE A 129 10.366 -19.193 -6.606 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.686 -19.719 -5.338 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.625 -19.667 -7.848 1.00 0.00 C ATOM 1545 CD1 ILE A 129 9.140 -18.624 -4.447 1.00 0.00 C ATOM 0 H ILE A 129 12.761 -18.326 -5.309 1.00 0.00 H new ATOM 0 HA ILE A 129 11.875 -20.728 -6.761 1.00 0.00 H new ATOM 0 HB ILE A 129 10.337 -18.104 -6.583 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.872 -20.385 -5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.402 -20.314 -4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.586 -19.341 -7.798 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.096 -19.245 -8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.662 -20.755 -7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.673 -19.069 -3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.954 -17.971 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.400 -18.043 -4.997 1.00 0.00 H new