USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 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= -3.58! C(o=-3.6!,f=-3.4!) USER MOD Set 1.2: A 58 SER OG : rot 140:sc= 0 USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= -0.337 USER MOD Set 2.2: A 33 SER OG : rot 180:sc= 0.0886 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0288 X(o=-0.029,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.142 F(o=-0.61,f=0.14) USER MOD Single : A 42 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.8!) USER MOD Single : A 46 SER OG : rot -140:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.65 K(o=-1.6,f=-8.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -1.25 USER MOD Single : A 67 ASN : amide:sc= -4.69 K(o=-4.7,f=-7!) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 70:sc= -2.89! USER MOD Single : A 77 GLN : amide:sc= -0.0659 X(o=-0.066,f=-0.56) USER MOD Single : A 79 THR OG1 : rot -78:sc= -4.2! USER MOD Single : A 82 MET CE :methyl -165:sc= -2.21 (180deg=-2.75) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.823 K(o=-0.82,f=-1.6) USER MOD Single : A 87 HIS : no HE2:sc= -1.98 K(o=-2,f=-2.7!) USER MOD Single : A 103 HIS : no HD1:sc= -3.96! C(o=-4!,f=-4.4!) USER MOD Single : A 105 ASN : amide:sc= -3.46 K(o=-3.5,f=-12!) USER MOD Single : A 109 MET CE :methyl 138:sc= -2.67 (180deg=-2.93) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 117 SER OG : rot 102:sc= 0.715 USER MOD Single : A 119 MET CE :methyl -148:sc= -3.98! (180deg=-5.27!) USER MOD Single : A 124 GLN :FLIP amide:sc= 0.593 F(o=-0.57,f=0.59) USER MOD Single : A 125 HIS : no HE2:sc= -0.0259 K(o=-0.026,f=-1.4) USER MOD Single : A 127 MET CE :methyl -126:sc= 0 (180deg=-1.71!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -13.844 10.267 -8.054 1.00 0.00 N ATOM 44 CA THR A 32 -15.069 10.220 -7.262 1.00 0.00 C ATOM 45 C THR A 32 -14.802 9.665 -5.867 1.00 0.00 C ATOM 46 O THR A 32 -13.721 9.146 -5.589 1.00 0.00 O ATOM 47 CB THR A 32 -16.122 9.363 -7.964 1.00 0.00 C ATOM 48 OG1 THR A 32 -17.264 9.199 -7.142 1.00 0.00 O ATOM 49 CG2 THR A 32 -15.622 7.983 -8.334 1.00 0.00 C ATOM 0 HA THR A 32 -15.441 11.240 -7.162 1.00 0.00 H new ATOM 0 HB THR A 32 -16.367 9.901 -8.880 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.927 8.649 -7.609 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.419 7.428 -8.829 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.770 8.073 -9.008 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.316 7.453 -7.432 1.00 0.00 H new ATOM 57 N SER A 33 -15.799 9.775 -4.994 1.00 0.00 N ATOM 58 CA SER A 33 -15.678 9.280 -3.628 1.00 0.00 C ATOM 59 C SER A 33 -15.490 7.767 -3.621 1.00 0.00 C ATOM 60 O SER A 33 -14.717 7.230 -2.828 1.00 0.00 O ATOM 61 CB SER A 33 -16.916 9.657 -2.813 1.00 0.00 C ATOM 62 OG SER A 33 -18.056 9.783 -3.644 1.00 0.00 O ATOM 0 H SER A 33 -16.700 10.203 -5.209 1.00 0.00 H new ATOM 0 HA SER A 33 -14.802 9.743 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.099 8.898 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.738 10.597 -2.290 1.00 0.00 H new ATOM 0 HG SER A 33 -18.834 10.023 -3.098 1.00 0.00 H new ATOM 68 N SER A 34 -16.199 7.085 -4.516 1.00 0.00 N ATOM 69 CA SER A 34 -16.106 5.634 -4.619 1.00 0.00 C ATOM 70 C SER A 34 -14.713 5.220 -5.075 1.00 0.00 C ATOM 71 O SER A 34 -14.189 4.191 -4.649 1.00 0.00 O ATOM 72 CB SER A 34 -17.156 5.101 -5.596 1.00 0.00 C ATOM 73 OG SER A 34 -18.453 5.557 -5.250 1.00 0.00 O ATOM 0 H SER A 34 -16.844 7.515 -5.180 1.00 0.00 H new ATOM 0 HA SER A 34 -16.293 5.208 -3.633 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.912 5.423 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.138 4.011 -5.595 1.00 0.00 H new ATOM 0 HG SER A 34 -19.105 5.204 -5.890 1.00 0.00 H new ATOM 79 N GLN A 35 -14.115 6.033 -5.939 1.00 0.00 N ATOM 80 CA GLN A 35 -12.778 5.753 -6.447 1.00 0.00 C ATOM 81 C GLN A 35 -11.735 5.986 -5.362 1.00 0.00 C ATOM 82 O GLN A 35 -10.767 5.234 -5.246 1.00 0.00 O ATOM 83 CB GLN A 35 -12.478 6.628 -7.663 1.00 0.00 C ATOM 84 CG GLN A 35 -11.069 6.459 -8.208 1.00 0.00 C ATOM 85 CD GLN A 35 -11.025 6.464 -9.724 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.408 5.596 -10.341 1.00 0.00 O ATOM 87 NE2 GLN A 35 -11.682 7.445 -10.331 1.00 0.00 N ATOM 0 H GLN A 35 -14.534 6.889 -6.301 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.737 4.707 -6.749 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.193 6.395 -8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.630 7.673 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.438 7.262 -7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.651 5.522 -7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.180 8.143 -9.779 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.689 7.500 -11.349 1.00 0.00 H new ATOM 96 N LEU A 36 -11.943 7.026 -4.559 1.00 0.00 N ATOM 97 CA LEU A 36 -11.024 7.347 -3.473 1.00 0.00 C ATOM 98 C LEU A 36 -10.803 6.122 -2.593 1.00 0.00 C ATOM 99 O LEU A 36 -9.667 5.758 -2.284 1.00 0.00 O ATOM 100 CB LEU A 36 -11.572 8.505 -2.634 1.00 0.00 C ATOM 101 CG LEU A 36 -11.001 9.884 -2.971 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.481 9.855 -2.947 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.506 10.353 -4.328 1.00 0.00 C ATOM 0 H LEU A 36 -12.738 7.659 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.070 7.650 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.655 8.539 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.375 8.295 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.341 10.591 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.094 10.845 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.138 9.565 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.119 9.135 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.090 11.335 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.196 9.644 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.594 10.416 -4.310 1.00 0.00 H new ATOM 115 N LEU A 37 -11.901 5.481 -2.205 1.00 0.00 N ATOM 116 CA LEU A 37 -11.832 4.289 -1.375 1.00 0.00 C ATOM 117 C LEU A 37 -11.524 3.055 -2.224 1.00 0.00 C ATOM 118 O LEU A 37 -11.097 2.026 -1.705 1.00 0.00 O ATOM 119 CB LEU A 37 -13.141 4.093 -0.604 1.00 0.00 C ATOM 120 CG LEU A 37 -14.332 3.642 -1.449 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.381 2.125 -1.537 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.631 4.187 -0.872 1.00 0.00 C ATOM 0 H LEU A 37 -12.848 5.769 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.023 4.422 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.974 3.357 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.399 5.031 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.209 4.039 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.236 1.823 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.463 1.757 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.479 1.705 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.469 3.856 -1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.760 3.819 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.596 5.276 -0.862 1.00 0.00 H new ATOM 134 N SER A 38 -11.735 3.164 -3.534 1.00 0.00 N ATOM 135 CA SER A 38 -11.465 2.052 -4.437 1.00 0.00 C ATOM 136 C SER A 38 -9.963 1.870 -4.630 1.00 0.00 C ATOM 137 O SER A 38 -9.497 0.781 -4.969 1.00 0.00 O ATOM 138 CB SER A 38 -12.139 2.285 -5.790 1.00 0.00 C ATOM 139 OG SER A 38 -12.007 1.150 -6.628 1.00 0.00 O ATOM 0 H SER A 38 -12.089 4.005 -3.989 1.00 0.00 H new ATOM 0 HA SER A 38 -11.874 1.145 -3.991 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.195 2.509 -5.640 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.695 3.154 -6.276 1.00 0.00 H new ATOM 0 HG SER A 38 -12.447 1.324 -7.486 1.00 0.00 H new ATOM 145 N VAL A 39 -9.206 2.942 -4.406 1.00 0.00 N ATOM 146 CA VAL A 39 -7.759 2.895 -4.553 1.00 0.00 C ATOM 147 C VAL A 39 -7.108 2.447 -3.253 1.00 0.00 C ATOM 148 O VAL A 39 -6.107 1.731 -3.261 1.00 0.00 O ATOM 149 CB VAL A 39 -7.190 4.265 -4.965 1.00 0.00 C ATOM 150 CG1 VAL A 39 -5.708 4.155 -5.290 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.963 4.830 -6.148 1.00 0.00 C ATOM 0 H VAL A 39 -9.573 3.851 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.534 2.176 -5.341 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.302 4.951 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.325 5.134 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.169 3.799 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.567 3.453 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.547 5.799 -6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.885 4.146 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.011 4.950 -5.874 1.00 0.00 H new ATOM 161 N ARG A 40 -7.693 2.862 -2.136 1.00 0.00 N ATOM 162 CA ARG A 40 -7.179 2.488 -0.827 1.00 0.00 C ATOM 163 C ARG A 40 -7.535 1.038 -0.519 1.00 0.00 C ATOM 164 O ARG A 40 -6.799 0.339 0.176 1.00 0.00 O ATOM 165 CB ARG A 40 -7.736 3.419 0.252 1.00 0.00 C ATOM 166 CG ARG A 40 -9.230 3.264 0.492 1.00 0.00 C ATOM 167 CD ARG A 40 -9.539 2.183 1.519 1.00 0.00 C ATOM 168 NE ARG A 40 -8.665 2.259 2.687 1.00 0.00 N ATOM 169 CZ ARG A 40 -8.446 1.241 3.518 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.033 0.069 3.312 1.00 0.00 N ATOM 171 NH2 ARG A 40 -7.640 1.397 4.559 1.00 0.00 N ATOM 0 H ARG A 40 -8.522 3.456 -2.112 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.093 2.586 -0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.207 3.233 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.529 4.451 -0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.642 4.214 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.724 3.021 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.577 2.275 1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.435 1.203 1.054 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.195 3.144 2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.656 -0.056 2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.861 -0.707 3.952 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.188 2.296 4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.472 0.618 5.195 1.00 0.00 H new ATOM 185 N HIS A 41 -8.666 0.590 -1.059 1.00 0.00 N ATOM 186 CA HIS A 41 -9.117 -0.779 -0.860 1.00 0.00 C ATOM 187 C HIS A 41 -8.222 -1.743 -1.631 1.00 0.00 C ATOM 188 O HIS A 41 -7.927 -2.843 -1.165 1.00 0.00 O ATOM 189 CB HIS A 41 -10.570 -0.933 -1.319 1.00 0.00 C ATOM 190 CG HIS A 41 -11.570 -0.824 -0.208 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.125 0.261 0.386 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.120 -1.922 0.419 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -12.989 -0.199 1.347 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -12.969 -1.518 1.347 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.285 1.158 -1.638 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.059 -1.014 0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.788 -0.171 -2.067 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.687 -1.901 -1.807 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -11.935 1.237 0.160 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.892 -2.952 0.187 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.589 0.419 1.999 1.00 0.00 H new ATOM 203 N GLN A 42 -7.792 -1.316 -2.816 1.00 0.00 N ATOM 204 CA GLN A 42 -6.927 -2.132 -3.659 1.00 0.00 C ATOM 205 C GLN A 42 -5.484 -2.098 -3.154 1.00 0.00 C ATOM 206 O GLN A 42 -4.732 -3.059 -3.323 1.00 0.00 O ATOM 207 CB GLN A 42 -7.000 -1.647 -5.115 1.00 0.00 C ATOM 208 CG GLN A 42 -6.028 -0.525 -5.453 1.00 0.00 C ATOM 209 CD GLN A 42 -4.784 -1.026 -6.160 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.695 -2.196 -6.532 1.00 0.00 O ATOM 211 NE2 GLN A 42 -3.813 -0.139 -6.347 1.00 0.00 N ATOM 0 H GLN A 42 -8.030 -0.407 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.275 -3.164 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.806 -2.491 -5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.015 -1.307 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.530 0.208 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.739 -0.011 -4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.930 0.821 -6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.951 -0.418 -6.815 1.00 0.00 H new ATOM 220 N LEU A 43 -5.105 -0.982 -2.540 1.00 0.00 N ATOM 221 CA LEU A 43 -3.754 -0.811 -2.016 1.00 0.00 C ATOM 222 C LEU A 43 -3.604 -1.483 -0.655 1.00 0.00 C ATOM 223 O LEU A 43 -2.671 -2.256 -0.434 1.00 0.00 O ATOM 224 CB LEU A 43 -3.423 0.683 -1.910 1.00 0.00 C ATOM 225 CG LEU A 43 -1.931 1.066 -1.957 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.420 1.409 -0.565 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.087 -0.042 -2.575 1.00 0.00 C ATOM 0 H LEU A 43 -5.717 -0.179 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.055 -1.287 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.934 1.203 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.842 1.059 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.839 1.948 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.365 1.677 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.987 2.250 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.542 0.546 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.041 0.264 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.190 -0.951 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.425 -0.232 -3.594 1.00 0.00 H new ATOM 239 N ALA A 44 -4.527 -1.186 0.256 1.00 0.00 N ATOM 240 CA ALA A 44 -4.496 -1.765 1.595 1.00 0.00 C ATOM 241 C ALA A 44 -4.431 -3.287 1.535 1.00 0.00 C ATOM 242 O ALA A 44 -3.648 -3.915 2.248 1.00 0.00 O ATOM 243 CB ALA A 44 -5.713 -1.320 2.391 1.00 0.00 C ATOM 0 H ALA A 44 -5.305 -0.548 0.091 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.596 -1.408 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.676 -1.760 3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.716 -0.233 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.620 -1.648 1.883 1.00 0.00 H new ATOM 249 N GLU A 45 -5.260 -3.875 0.678 1.00 0.00 N ATOM 250 CA GLU A 45 -5.297 -5.324 0.522 1.00 0.00 C ATOM 251 C GLU A 45 -3.937 -5.858 0.085 1.00 0.00 C ATOM 252 O GLU A 45 -3.428 -6.826 0.651 1.00 0.00 O ATOM 253 CB GLU A 45 -6.366 -5.720 -0.497 1.00 0.00 C ATOM 254 CG GLU A 45 -7.735 -5.955 0.119 1.00 0.00 C ATOM 255 CD GLU A 45 -8.660 -6.735 -0.795 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.813 -6.333 -1.968 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.231 -7.747 -0.338 1.00 0.00 O ATOM 0 H GLU A 45 -5.915 -3.370 0.081 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.546 -5.763 1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.445 -4.937 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.048 -6.627 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.619 -6.495 1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.192 -4.994 0.358 1.00 0.00 H new ATOM 264 N SER A 46 -3.353 -5.221 -0.924 1.00 0.00 N ATOM 265 CA SER A 46 -2.050 -5.632 -1.435 1.00 0.00 C ATOM 266 C SER A 46 -0.945 -5.306 -0.435 1.00 0.00 C ATOM 267 O SER A 46 0.101 -5.956 -0.418 1.00 0.00 O ATOM 268 CB SER A 46 -1.763 -4.947 -2.772 1.00 0.00 C ATOM 269 OG SER A 46 -2.198 -5.746 -3.858 1.00 0.00 O ATOM 0 H SER A 46 -3.761 -4.419 -1.404 1.00 0.00 H new ATOM 0 HA SER A 46 -2.071 -6.711 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.265 -3.980 -2.804 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.694 -4.754 -2.863 1.00 0.00 H new ATOM 0 HG SER A 46 -1.541 -5.698 -4.583 1.00 0.00 H new ATOM 275 N ALA A 47 -1.181 -4.295 0.397 1.00 0.00 N ATOM 276 CA ALA A 47 -0.203 -3.885 1.398 1.00 0.00 C ATOM 277 C ALA A 47 -0.146 -4.883 2.550 1.00 0.00 C ATOM 278 O ALA A 47 -0.629 -4.607 3.648 1.00 0.00 O ATOM 279 CB ALA A 47 -0.530 -2.493 1.917 1.00 0.00 C ATOM 0 H ALA A 47 -2.040 -3.746 0.397 1.00 0.00 H new ATOM 0 HA ALA A 47 0.778 -3.861 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.208 -2.200 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.512 -1.783 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.522 -2.497 2.370 1.00 0.00 H new ATOM 285 N GLY A 48 0.449 -6.044 2.293 1.00 0.00 N ATOM 286 CA GLY A 48 0.559 -7.064 3.318 1.00 0.00 C ATOM 287 C GLY A 48 0.991 -8.406 2.759 1.00 0.00 C ATOM 288 O GLY A 48 0.585 -8.788 1.662 1.00 0.00 O ATOM 0 H GLY A 48 0.857 -6.296 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.276 -6.740 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.402 -7.176 3.819 1.00 0.00 H new ATOM 292 N LEU A 49 1.815 -9.124 3.516 1.00 0.00 N ATOM 293 CA LEU A 49 2.301 -10.432 3.090 1.00 0.00 C ATOM 294 C LEU A 49 1.210 -11.492 3.243 1.00 0.00 C ATOM 295 O LEU A 49 0.681 -11.688 4.337 1.00 0.00 O ATOM 296 CB LEU A 49 3.529 -10.836 3.909 1.00 0.00 C ATOM 297 CG LEU A 49 4.662 -9.808 3.940 1.00 0.00 C ATOM 298 CD1 LEU A 49 5.397 -9.866 5.272 1.00 0.00 C ATOM 299 CD2 LEU A 49 5.622 -10.044 2.783 1.00 0.00 C ATOM 0 H LEU A 49 2.160 -8.822 4.427 1.00 0.00 H new ATOM 0 HA LEU A 49 2.578 -10.363 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.213 -11.035 4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.920 -11.771 3.509 1.00 0.00 H new ATOM 0 HG LEU A 49 4.232 -8.812 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.200 -9.129 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.700 -9.650 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.818 -10.862 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.423 -9.305 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.048 -11.044 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.084 -9.952 1.839 1.00 0.00 H new ATOM 311 N PRO A 50 0.855 -12.192 2.150 1.00 0.00 N ATOM 312 CA PRO A 50 -0.181 -13.229 2.187 1.00 0.00 C ATOM 313 C PRO A 50 0.069 -14.264 3.283 1.00 0.00 C ATOM 314 O PRO A 50 -0.670 -14.323 4.266 1.00 0.00 O ATOM 315 CB PRO A 50 -0.096 -13.873 0.800 1.00 0.00 C ATOM 316 CG PRO A 50 0.483 -12.815 -0.073 1.00 0.00 C ATOM 317 CD PRO A 50 1.424 -12.029 0.798 1.00 0.00 C ATOM 0 HA PRO A 50 -1.163 -12.815 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.533 -14.763 0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.079 -14.184 0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.010 -13.253 -0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.299 -12.174 -0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.442 -12.415 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.464 -10.981 0.503 1.00 0.00 H new ATOM 325 N ARG A 51 1.108 -15.079 3.113 1.00 0.00 N ATOM 326 CA ARG A 51 1.433 -16.104 4.100 1.00 0.00 C ATOM 327 C ARG A 51 2.939 -16.367 4.161 1.00 0.00 C ATOM 328 O ARG A 51 3.630 -15.865 5.048 1.00 0.00 O ATOM 329 CB ARG A 51 0.681 -17.401 3.784 1.00 0.00 C ATOM 330 CG ARG A 51 1.017 -18.546 4.726 1.00 0.00 C ATOM 331 CD ARG A 51 0.286 -19.821 4.337 1.00 0.00 C ATOM 332 NE ARG A 51 0.499 -20.892 5.308 1.00 0.00 N ATOM 333 CZ ARG A 51 -0.250 -21.989 5.378 1.00 0.00 C ATOM 334 NH1 ARG A 51 -1.262 -22.166 4.537 1.00 0.00 N ATOM 335 NH2 ARG A 51 0.012 -22.914 6.292 1.00 0.00 N ATOM 0 H ARG A 51 1.734 -15.050 2.308 1.00 0.00 H new ATOM 0 HA ARG A 51 1.119 -15.737 5.077 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.391 -17.209 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.910 -17.704 2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.092 -18.724 4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.750 -18.269 5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.781 -19.616 4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.627 -20.149 3.355 1.00 0.00 H new ATOM 0 HE ARG A 51 1.267 -20.793 5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.469 -21.459 3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.833 -23.009 4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.788 -22.784 6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.562 -23.755 6.346 1.00 0.00 H new ATOM 349 N ASP A 52 3.438 -17.167 3.222 1.00 0.00 N ATOM 350 CA ASP A 52 4.856 -17.511 3.177 1.00 0.00 C ATOM 351 C ASP A 52 5.720 -16.289 2.878 1.00 0.00 C ATOM 352 O ASP A 52 6.880 -16.225 3.285 1.00 0.00 O ATOM 353 CB ASP A 52 5.104 -18.592 2.124 1.00 0.00 C ATOM 354 CG ASP A 52 4.650 -19.963 2.585 1.00 0.00 C ATOM 355 OD1 ASP A 52 5.120 -20.418 3.649 1.00 0.00 O ATOM 356 OD2 ASP A 52 3.823 -20.582 1.883 1.00 0.00 O ATOM 0 H ASP A 52 2.880 -17.590 2.481 1.00 0.00 H new ATOM 0 HA ASP A 52 5.136 -17.890 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.579 -18.328 1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.167 -18.626 1.885 1.00 0.00 H new ATOM 361 N GLN A 53 5.153 -15.324 2.162 1.00 0.00 N ATOM 362 CA GLN A 53 5.878 -14.107 1.807 1.00 0.00 C ATOM 363 C GLN A 53 6.541 -13.480 3.031 1.00 0.00 C ATOM 364 O GLN A 53 7.597 -12.857 2.925 1.00 0.00 O ATOM 365 CB GLN A 53 4.932 -13.097 1.157 1.00 0.00 C ATOM 366 CG GLN A 53 4.687 -13.355 -0.321 1.00 0.00 C ATOM 367 CD GLN A 53 3.507 -14.275 -0.565 1.00 0.00 C ATOM 368 OE1 GLN A 53 3.085 -15.012 0.326 1.00 0.00 O ATOM 369 NE2 GLN A 53 2.968 -14.237 -1.778 1.00 0.00 N ATOM 0 H GLN A 53 4.194 -15.360 1.816 1.00 0.00 H new ATOM 0 HA GLN A 53 6.659 -14.380 1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.978 -13.115 1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.344 -12.095 1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.514 -12.406 -0.828 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.582 -13.793 -0.763 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.350 -13.611 -2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.172 -14.834 -2.001 1.00 0.00 H new ATOM 378 N HIS A 54 5.911 -13.646 4.189 1.00 0.00 N ATOM 379 CA HIS A 54 6.435 -13.094 5.433 1.00 0.00 C ATOM 380 C HIS A 54 7.562 -13.959 5.993 1.00 0.00 C ATOM 381 O HIS A 54 8.639 -13.461 6.321 1.00 0.00 O ATOM 382 CB HIS A 54 5.318 -12.981 6.472 1.00 0.00 C ATOM 383 CG HIS A 54 5.745 -12.294 7.733 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.738 -12.784 8.556 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.314 -11.146 8.308 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.898 -11.968 9.582 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.047 -10.967 9.455 1.00 0.00 N ATOM 0 H HIS A 54 5.036 -14.159 4.292 1.00 0.00 H new ATOM 0 HA HIS A 54 6.835 -12.104 5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.480 -12.436 6.036 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.956 -13.980 6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.539 -10.494 7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.605 -12.098 10.388 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.950 -10.186 10.104 1.00 0.00 H new ATOM 396 N GLU A 55 7.295 -15.256 6.115 1.00 0.00 N ATOM 397 CA GLU A 55 8.268 -16.206 6.654 1.00 0.00 C ATOM 398 C GLU A 55 9.661 -16.006 6.058 1.00 0.00 C ATOM 399 O GLU A 55 10.665 -16.316 6.698 1.00 0.00 O ATOM 400 CB GLU A 55 7.798 -17.640 6.400 1.00 0.00 C ATOM 401 CG GLU A 55 8.112 -18.594 7.541 1.00 0.00 C ATOM 402 CD GLU A 55 8.290 -20.024 7.072 1.00 0.00 C ATOM 403 OE1 GLU A 55 9.279 -20.297 6.359 1.00 0.00 O ATOM 404 OE2 GLU A 55 7.439 -20.872 7.417 1.00 0.00 O ATOM 0 H GLU A 55 6.406 -15.677 5.846 1.00 0.00 H new ATOM 0 HA GLU A 55 8.339 -16.024 7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.722 -17.636 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.266 -18.011 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.021 -18.265 8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.308 -18.554 8.275 1.00 0.00 H new ATOM 411 N PHE A 56 9.722 -15.498 4.832 1.00 0.00 N ATOM 412 CA PHE A 56 11.002 -15.277 4.168 1.00 0.00 C ATOM 413 C PHE A 56 11.504 -13.850 4.393 1.00 0.00 C ATOM 414 O PHE A 56 12.590 -13.642 4.928 1.00 0.00 O ATOM 415 CB PHE A 56 10.876 -15.574 2.666 1.00 0.00 C ATOM 416 CG PHE A 56 11.859 -14.828 1.801 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.192 -15.204 1.753 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.444 -13.749 1.040 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.092 -14.516 0.961 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.339 -13.057 0.246 1.00 0.00 C ATOM 421 CZ PHE A 56 13.664 -13.441 0.207 1.00 0.00 C ATOM 0 H PHE A 56 8.906 -15.233 4.280 1.00 0.00 H new ATOM 0 HA PHE A 56 11.733 -15.958 4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.009 -16.644 2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.865 -15.327 2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.531 -16.044 2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.408 -13.444 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.128 -14.819 0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.002 -12.217 -0.343 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.365 -12.902 -0.412 1.00 0.00 H new ATOM 431 N VAL A 57 10.712 -12.874 3.968 1.00 0.00 N ATOM 432 CA VAL A 57 11.081 -11.467 4.105 1.00 0.00 C ATOM 433 C VAL A 57 11.317 -11.061 5.561 1.00 0.00 C ATOM 434 O VAL A 57 11.869 -9.992 5.825 1.00 0.00 O ATOM 435 CB VAL A 57 9.998 -10.551 3.502 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.680 -10.724 4.239 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.444 -9.096 3.529 1.00 0.00 C ATOM 0 H VAL A 57 9.807 -13.029 3.524 1.00 0.00 H new ATOM 0 HA VAL A 57 12.017 -11.346 3.560 1.00 0.00 H new ATOM 0 HB VAL A 57 9.848 -10.839 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.928 -10.069 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.351 -11.760 4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.814 -10.467 5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.664 -8.468 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.628 -8.791 4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.360 -8.985 2.949 1.00 0.00 H new ATOM 447 N SER A 58 10.889 -11.894 6.507 1.00 0.00 N ATOM 448 CA SER A 58 11.057 -11.574 7.923 1.00 0.00 C ATOM 449 C SER A 58 11.940 -12.589 8.647 1.00 0.00 C ATOM 450 O SER A 58 12.592 -12.254 9.636 1.00 0.00 O ATOM 451 CB SER A 58 9.692 -11.498 8.608 1.00 0.00 C ATOM 452 OG SER A 58 9.661 -10.457 9.570 1.00 0.00 O ATOM 0 H SER A 58 10.429 -12.785 6.323 1.00 0.00 H new ATOM 0 HA SER A 58 11.556 -10.606 7.978 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.916 -11.331 7.861 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.470 -12.450 9.090 1.00 0.00 H new ATOM 0 HG SER A 58 8.795 -9.999 9.529 1.00 0.00 H new ATOM 458 N SER A 59 11.948 -13.830 8.172 1.00 0.00 N ATOM 459 CA SER A 59 12.744 -14.878 8.809 1.00 0.00 C ATOM 460 C SER A 59 13.923 -15.323 7.942 1.00 0.00 C ATOM 461 O SER A 59 14.784 -16.072 8.403 1.00 0.00 O ATOM 462 CB SER A 59 11.861 -16.083 9.137 1.00 0.00 C ATOM 463 OG SER A 59 12.176 -16.614 10.412 1.00 0.00 O ATOM 0 H SER A 59 11.418 -14.135 7.356 1.00 0.00 H new ATOM 0 HA SER A 59 13.153 -14.456 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.812 -15.787 9.112 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.993 -16.852 8.376 1.00 0.00 H new ATOM 0 HG SER A 59 11.597 -17.382 10.599 1.00 0.00 H new ATOM 469 N GLN A 60 13.961 -14.877 6.690 1.00 0.00 N ATOM 470 CA GLN A 60 15.042 -15.261 5.785 1.00 0.00 C ATOM 471 C GLN A 60 15.754 -14.043 5.203 1.00 0.00 C ATOM 472 O GLN A 60 16.937 -13.823 5.463 1.00 0.00 O ATOM 473 CB GLN A 60 14.495 -16.128 4.651 1.00 0.00 C ATOM 474 CG GLN A 60 14.100 -17.528 5.092 1.00 0.00 C ATOM 475 CD GLN A 60 15.278 -18.481 5.133 1.00 0.00 C ATOM 476 OE1 GLN A 60 16.426 -18.061 5.284 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.000 -19.772 4.999 1.00 0.00 N ATOM 0 H GLN A 60 13.264 -14.255 6.281 1.00 0.00 H new ATOM 0 HA GLN A 60 15.769 -15.830 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.626 -15.635 4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.248 -16.202 3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.643 -17.478 6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.344 -17.920 4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.034 -20.076 4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.752 -20.460 5.019 1.00 0.00 H new ATOM 486 N ALA A 61 15.029 -13.264 4.403 1.00 0.00 N ATOM 487 CA ALA A 61 15.584 -12.073 3.763 1.00 0.00 C ATOM 488 C ALA A 61 16.490 -11.282 4.707 1.00 0.00 C ATOM 489 O ALA A 61 16.292 -11.285 5.922 1.00 0.00 O ATOM 490 CB ALA A 61 14.461 -11.185 3.248 1.00 0.00 C ATOM 0 H ALA A 61 14.049 -13.438 4.181 1.00 0.00 H new ATOM 0 HA ALA A 61 16.197 -12.407 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.885 -10.300 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.865 -11.737 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.827 -10.881 4.081 1.00 0.00 H new ATOM 496 N PRO A 62 17.502 -10.590 4.152 1.00 0.00 N ATOM 497 CA PRO A 62 18.445 -9.790 4.939 1.00 0.00 C ATOM 498 C PRO A 62 17.833 -8.479 5.421 1.00 0.00 C ATOM 499 O PRO A 62 16.833 -8.013 4.874 1.00 0.00 O ATOM 500 CB PRO A 62 19.579 -9.518 3.952 1.00 0.00 C ATOM 501 CG PRO A 62 18.921 -9.528 2.616 1.00 0.00 C ATOM 502 CD PRO A 62 17.806 -10.536 2.708 1.00 0.00 C ATOM 0 HA PRO A 62 18.761 -10.305 5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.057 -8.559 4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.354 -10.281 4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.534 -8.540 2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.630 -9.801 1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 62 16.937 -10.226 2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.114 -11.510 2.327 1.00 0.00 H new ATOM 510 N GLN A 63 18.438 -7.888 6.449 1.00 0.00 N ATOM 511 CA GLN A 63 17.950 -6.628 7.006 1.00 0.00 C ATOM 512 C GLN A 63 17.674 -5.607 5.903 1.00 0.00 C ATOM 513 O GLN A 63 16.817 -4.736 6.053 1.00 0.00 O ATOM 514 CB GLN A 63 18.961 -6.060 8.008 1.00 0.00 C ATOM 515 CG GLN A 63 20.235 -5.531 7.366 1.00 0.00 C ATOM 516 CD GLN A 63 21.466 -6.315 7.778 1.00 0.00 C ATOM 517 OE1 GLN A 63 22.118 -5.994 8.771 1.00 0.00 O ATOM 518 NE2 GLN A 63 21.791 -7.350 7.012 1.00 0.00 N ATOM 0 H GLN A 63 19.266 -8.261 6.913 1.00 0.00 H new ATOM 0 HA GLN A 63 17.013 -6.832 7.524 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.488 -5.255 8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.223 -6.838 8.725 1.00 0.00 H new ATOM 0 HG2 GLN A 63 20.133 -5.567 6.281 1.00 0.00 H new ATOM 0 HG3 GLN A 63 20.367 -4.484 7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 63 21.222 -7.580 6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 63 22.610 -7.915 7.238 1.00 0.00 H new ATOM 527 N SER A 64 18.402 -5.722 4.796 1.00 0.00 N ATOM 528 CA SER A 64 18.228 -4.811 3.672 1.00 0.00 C ATOM 529 C SER A 64 16.799 -4.873 3.147 1.00 0.00 C ATOM 530 O SER A 64 16.159 -3.845 2.923 1.00 0.00 O ATOM 531 CB SER A 64 19.211 -5.157 2.551 1.00 0.00 C ATOM 532 OG SER A 64 18.857 -6.376 1.921 1.00 0.00 O ATOM 0 H SER A 64 19.116 -6.436 4.654 1.00 0.00 H new ATOM 0 HA SER A 64 18.428 -3.797 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.225 -4.354 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.219 -5.234 2.958 1.00 0.00 H new ATOM 0 HG SER A 64 19.499 -6.574 1.208 1.00 0.00 H new ATOM 538 N LEU A 65 16.305 -6.091 2.959 1.00 0.00 N ATOM 539 CA LEU A 65 14.952 -6.304 2.466 1.00 0.00 C ATOM 540 C LEU A 65 13.925 -6.073 3.571 1.00 0.00 C ATOM 541 O LEU A 65 12.785 -5.693 3.303 1.00 0.00 O ATOM 542 CB LEU A 65 14.813 -7.724 1.912 1.00 0.00 C ATOM 543 CG LEU A 65 13.977 -7.843 0.638 1.00 0.00 C ATOM 544 CD1 LEU A 65 12.525 -7.495 0.922 1.00 0.00 C ATOM 545 CD2 LEU A 65 14.539 -6.945 -0.454 1.00 0.00 C ATOM 0 H LEU A 65 16.825 -6.949 3.142 1.00 0.00 H new ATOM 0 HA LEU A 65 14.763 -5.586 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.809 -8.119 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.368 -8.355 2.681 1.00 0.00 H new ATOM 0 HG LEU A 65 14.022 -8.875 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.943 -7.585 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.127 -8.178 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.462 -6.472 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.931 -7.042 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.524 -5.909 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.565 -7.240 -0.675 1.00 0.00 H new ATOM 557 N ARG A 66 14.334 -6.313 4.812 1.00 0.00 N ATOM 558 CA ARG A 66 13.448 -6.142 5.958 1.00 0.00 C ATOM 559 C ARG A 66 13.250 -4.667 6.299 1.00 0.00 C ATOM 560 O ARG A 66 12.118 -4.201 6.436 1.00 0.00 O ATOM 561 CB ARG A 66 14.006 -6.885 7.172 1.00 0.00 C ATOM 562 CG ARG A 66 14.168 -8.379 6.946 1.00 0.00 C ATOM 563 CD ARG A 66 15.285 -8.957 7.802 1.00 0.00 C ATOM 564 NE ARG A 66 14.787 -9.939 8.762 1.00 0.00 N ATOM 565 CZ ARG A 66 15.458 -10.325 9.845 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.655 -9.815 10.109 1.00 0.00 N ATOM 567 NH2 ARG A 66 14.932 -11.223 10.666 1.00 0.00 N ATOM 0 H ARG A 66 15.275 -6.627 5.050 1.00 0.00 H new ATOM 0 HA ARG A 66 12.477 -6.560 5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.974 -6.458 7.436 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.344 -6.724 8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.232 -8.886 7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.381 -8.567 5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.030 -9.425 7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.787 -8.150 8.336 1.00 0.00 H new ATOM 0 HE ARG A 66 13.871 -10.354 8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.065 -9.124 9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.165 -10.114 10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.013 -11.618 10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.446 -11.519 11.496 1.00 0.00 H new ATOM 581 N ASN A 67 14.349 -3.934 6.448 1.00 0.00 N ATOM 582 CA ASN A 67 14.272 -2.517 6.787 1.00 0.00 C ATOM 583 C ASN A 67 13.459 -1.745 5.750 1.00 0.00 C ATOM 584 O ASN A 67 12.762 -0.788 6.085 1.00 0.00 O ATOM 585 CB ASN A 67 15.675 -1.914 6.939 1.00 0.00 C ATOM 586 CG ASN A 67 16.400 -1.730 5.618 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.867 -1.143 4.676 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.630 -2.226 5.546 1.00 0.00 N ATOM 0 H ASN A 67 15.297 -4.294 6.340 1.00 0.00 H new ATOM 0 HA ASN A 67 13.759 -2.431 7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.595 -0.948 7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.271 -2.558 7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.170 -2.127 4.686 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.034 -2.706 6.350 1.00 0.00 H new ATOM 595 N ARG A 68 13.543 -2.169 4.491 1.00 0.00 N ATOM 596 CA ARG A 68 12.803 -1.512 3.420 1.00 0.00 C ATOM 597 C ARG A 68 11.319 -1.865 3.493 1.00 0.00 C ATOM 598 O ARG A 68 10.463 -1.083 3.080 1.00 0.00 O ATOM 599 CB ARG A 68 13.372 -1.904 2.054 1.00 0.00 C ATOM 600 CG ARG A 68 13.143 -3.362 1.688 1.00 0.00 C ATOM 601 CD ARG A 68 13.374 -3.607 0.205 1.00 0.00 C ATOM 602 NE ARG A 68 12.290 -4.380 -0.398 1.00 0.00 N ATOM 603 CZ ARG A 68 12.044 -4.418 -1.706 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.802 -3.731 -2.552 1.00 0.00 N ATOM 605 NH2 ARG A 68 11.037 -5.146 -2.170 1.00 0.00 N ATOM 0 H ARG A 68 14.113 -2.960 4.190 1.00 0.00 H new ATOM 0 HA ARG A 68 12.909 -0.435 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.922 -1.272 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.443 -1.701 2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.813 -3.994 2.271 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.125 -3.649 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.467 -2.651 -0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.317 -4.137 0.068 1.00 0.00 H new ATOM 0 HE ARG A 68 11.686 -4.922 0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.578 -3.170 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.608 -3.764 -3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.451 -5.676 -1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.848 -5.175 -3.172 1.00 0.00 H new ATOM 619 N TYR A 69 11.024 -3.049 4.025 1.00 0.00 N ATOM 620 CA TYR A 69 9.646 -3.512 4.160 1.00 0.00 C ATOM 621 C TYR A 69 8.811 -2.506 4.948 1.00 0.00 C ATOM 622 O TYR A 69 7.739 -2.092 4.505 1.00 0.00 O ATOM 623 CB TYR A 69 9.617 -4.880 4.851 1.00 0.00 C ATOM 624 CG TYR A 69 8.225 -5.415 5.113 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.408 -4.840 6.079 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.733 -6.502 4.401 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.140 -5.331 6.325 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.468 -6.998 4.641 1.00 0.00 C ATOM 629 CZ TYR A 69 5.674 -6.409 5.604 1.00 0.00 C ATOM 630 OH TYR A 69 4.412 -6.900 5.850 1.00 0.00 O ATOM 0 H TYR A 69 11.723 -3.706 4.370 1.00 0.00 H new ATOM 0 HA TYR A 69 9.215 -3.607 3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.159 -5.597 4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.150 -4.807 5.799 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.770 -3.996 6.647 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.351 -6.967 3.647 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.517 -4.872 7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.101 -7.843 4.078 1.00 0.00 H new ATOM 0 HH TYR A 69 3.832 -6.172 6.156 1.00 0.00 H new ATOM 640 N ASN A 70 9.307 -2.121 6.119 1.00 0.00 N ATOM 641 CA ASN A 70 8.606 -1.166 6.970 1.00 0.00 C ATOM 642 C ASN A 70 8.542 0.209 6.311 1.00 0.00 C ATOM 643 O ASN A 70 7.567 0.942 6.475 1.00 0.00 O ATOM 644 CB ASN A 70 9.296 -1.059 8.330 1.00 0.00 C ATOM 645 CG ASN A 70 9.398 -2.397 9.035 1.00 0.00 C ATOM 646 OD1 ASN A 70 8.514 -3.246 8.912 1.00 0.00 O ATOM 647 ND2 ASN A 70 10.480 -2.593 9.780 1.00 0.00 N ATOM 0 H ASN A 70 10.192 -2.456 6.501 1.00 0.00 H new ATOM 0 HA ASN A 70 7.588 -1.528 7.114 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.296 -0.646 8.195 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.745 -0.361 8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.603 -3.474 10.278 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.188 -1.862 9.854 1.00 0.00 H new ATOM 654 N ASN A 71 9.589 0.553 5.569 1.00 0.00 N ATOM 655 CA ASN A 71 9.653 1.841 4.888 1.00 0.00 C ATOM 656 C ASN A 71 8.507 1.991 3.892 1.00 0.00 C ATOM 657 O ASN A 71 7.664 2.877 4.029 1.00 0.00 O ATOM 658 CB ASN A 71 10.993 1.994 4.167 1.00 0.00 C ATOM 659 CG ASN A 71 11.523 3.414 4.227 1.00 0.00 C ATOM 660 OD1 ASN A 71 10.982 4.318 3.591 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.587 3.616 4.995 1.00 0.00 N ATOM 0 H ASN A 71 10.405 -0.042 5.424 1.00 0.00 H new ATOM 0 HA ASN A 71 9.560 2.625 5.640 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.722 1.318 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.878 1.696 3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.988 4.550 5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.003 2.837 5.505 1.00 0.00 H new ATOM 668 N LEU A 72 8.485 1.120 2.888 1.00 0.00 N ATOM 669 CA LEU A 72 7.445 1.157 1.867 1.00 0.00 C ATOM 670 C LEU A 72 6.057 1.052 2.491 1.00 0.00 C ATOM 671 O LEU A 72 5.113 1.701 2.040 1.00 0.00 O ATOM 672 CB LEU A 72 7.648 0.026 0.856 1.00 0.00 C ATOM 673 CG LEU A 72 7.643 -1.384 1.449 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.217 -1.879 1.645 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.424 -2.337 0.555 1.00 0.00 C ATOM 0 H LEU A 72 9.176 0.380 2.760 1.00 0.00 H new ATOM 0 HA LEU A 72 7.518 2.114 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.864 0.089 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.597 0.184 0.343 1.00 0.00 H new ATOM 0 HG LEU A 72 8.128 -1.350 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.235 -2.884 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.689 -1.209 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.704 -1.899 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.412 -3.336 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.966 -2.366 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.454 -1.992 0.468 1.00 0.00 H new ATOM 687 N TYR A 73 5.939 0.233 3.531 1.00 0.00 N ATOM 688 CA TYR A 73 4.663 0.049 4.211 1.00 0.00 C ATOM 689 C TYR A 73 4.321 1.263 5.068 1.00 0.00 C ATOM 690 O TYR A 73 3.150 1.581 5.271 1.00 0.00 O ATOM 691 CB TYR A 73 4.690 -1.211 5.077 1.00 0.00 C ATOM 692 CG TYR A 73 3.315 -1.686 5.494 1.00 0.00 C ATOM 693 CD1 TYR A 73 2.252 -1.668 4.599 1.00 0.00 C ATOM 694 CD2 TYR A 73 3.080 -2.151 6.782 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.995 -2.098 4.976 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.824 -2.584 7.166 1.00 0.00 C ATOM 697 CZ TYR A 73 0.786 -2.555 6.259 1.00 0.00 C ATOM 698 OH TYR A 73 -0.466 -2.985 6.638 1.00 0.00 O ATOM 0 H TYR A 73 6.709 -0.312 3.920 1.00 0.00 H new ATOM 0 HA TYR A 73 3.892 -0.064 3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.190 -2.009 4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.285 -1.016 5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.412 -1.312 3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.891 -2.175 7.495 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.179 -2.076 4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.657 -2.943 8.171 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.443 -3.276 7.574 1.00 0.00 H new ATOM 708 N SER A 74 5.351 1.943 5.567 1.00 0.00 N ATOM 709 CA SER A 74 5.152 3.126 6.398 1.00 0.00 C ATOM 710 C SER A 74 4.248 4.132 5.694 1.00 0.00 C ATOM 711 O SER A 74 3.327 4.686 6.296 1.00 0.00 O ATOM 712 CB SER A 74 6.497 3.776 6.730 1.00 0.00 C ATOM 713 OG SER A 74 6.337 4.839 7.652 1.00 0.00 O ATOM 0 H SER A 74 6.328 1.696 5.411 1.00 0.00 H new ATOM 0 HA SER A 74 4.671 2.814 7.325 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.173 3.029 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.959 4.150 5.816 1.00 0.00 H new ATOM 0 HG SER A 74 7.211 5.236 7.848 1.00 0.00 H new ATOM 719 N HIS A 75 4.513 4.354 4.411 1.00 0.00 N ATOM 720 CA HIS A 75 3.720 5.285 3.618 1.00 0.00 C ATOM 721 C HIS A 75 2.350 4.691 3.305 1.00 0.00 C ATOM 722 O HIS A 75 1.343 5.397 3.299 1.00 0.00 O ATOM 723 CB HIS A 75 4.450 5.633 2.319 1.00 0.00 C ATOM 724 CG HIS A 75 5.216 6.918 2.388 1.00 0.00 C ATOM 725 ND1 HIS A 75 4.667 8.140 2.063 1.00 0.00 N ATOM 726 CD2 HIS A 75 6.497 7.167 2.748 1.00 0.00 C ATOM 727 CE1 HIS A 75 5.577 9.085 2.218 1.00 0.00 C ATOM 728 NE2 HIS A 75 6.696 8.521 2.634 1.00 0.00 N ATOM 0 H HIS A 75 5.270 3.902 3.899 1.00 0.00 H new ATOM 0 HA HIS A 75 3.580 6.197 4.199 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.136 4.824 2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.723 5.696 1.509 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.227 6.437 3.066 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.431 10.139 2.036 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.567 9.011 2.838 1.00 0.00 H new ATOM 737 N THR A 76 2.319 3.386 3.049 1.00 0.00 N ATOM 738 CA THR A 76 1.070 2.698 2.739 1.00 0.00 C ATOM 739 C THR A 76 0.030 2.938 3.829 1.00 0.00 C ATOM 740 O THR A 76 -1.159 3.087 3.548 1.00 0.00 O ATOM 741 CB THR A 76 1.311 1.197 2.580 1.00 0.00 C ATOM 742 OG1 THR A 76 2.302 0.949 1.598 1.00 0.00 O ATOM 743 CG2 THR A 76 0.066 0.434 2.182 1.00 0.00 C ATOM 0 H THR A 76 3.143 2.785 3.050 1.00 0.00 H new ATOM 0 HA THR A 76 0.691 3.101 1.800 1.00 0.00 H new ATOM 0 HB THR A 76 1.634 0.848 3.561 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.176 1.238 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.304 -0.625 2.085 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.701 0.566 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.303 0.811 1.228 1.00 0.00 H new ATOM 751 N GLN A 77 0.489 2.967 5.076 1.00 0.00 N ATOM 752 CA GLN A 77 -0.397 3.181 6.213 1.00 0.00 C ATOM 753 C GLN A 77 -0.956 4.601 6.218 1.00 0.00 C ATOM 754 O GLN A 77 -2.171 4.798 6.213 1.00 0.00 O ATOM 755 CB GLN A 77 0.347 2.910 7.521 1.00 0.00 C ATOM 756 CG GLN A 77 0.597 1.434 7.785 1.00 0.00 C ATOM 757 CD GLN A 77 0.540 1.088 9.259 1.00 0.00 C ATOM 758 OE1 GLN A 77 -0.355 1.531 9.979 1.00 0.00 O ATOM 759 NE2 GLN A 77 1.499 0.291 9.717 1.00 0.00 N ATOM 0 H GLN A 77 1.471 2.845 5.324 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.232 2.486 6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.303 3.434 7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.227 3.326 8.349 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.144 0.842 7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.574 1.158 7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.221 -0.053 9.085 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.513 0.023 10.701 1.00 0.00 H new ATOM 768 N ARG A 78 -0.065 5.589 6.235 1.00 0.00 N ATOM 769 CA ARG A 78 -0.479 6.988 6.249 1.00 0.00 C ATOM 770 C ARG A 78 -1.211 7.361 4.961 1.00 0.00 C ATOM 771 O ARG A 78 -2.063 8.250 4.958 1.00 0.00 O ATOM 772 CB ARG A 78 0.731 7.904 6.450 1.00 0.00 C ATOM 773 CG ARG A 78 1.784 7.776 5.362 1.00 0.00 C ATOM 774 CD ARG A 78 1.587 8.815 4.270 1.00 0.00 C ATOM 775 NE ARG A 78 2.023 10.143 4.693 1.00 0.00 N ATOM 776 CZ ARG A 78 1.638 11.273 4.103 1.00 0.00 C ATOM 777 NH1 ARG A 78 0.811 11.241 3.066 1.00 0.00 N ATOM 778 NH2 ARG A 78 2.083 12.439 4.553 1.00 0.00 N ATOM 0 H ARG A 78 0.945 5.447 6.239 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.167 7.123 7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.389 8.938 6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.188 7.680 7.414 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.776 7.890 5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.740 6.777 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.143 8.517 3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.534 8.851 3.990 1.00 0.00 H new ATOM 0 HE ARG A 78 2.660 10.209 5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.466 10.347 2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.520 12.110 2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.719 12.469 5.350 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.789 13.305 4.102 1.00 0.00 H new ATOM 792 N THR A 79 -0.878 6.677 3.870 1.00 0.00 N ATOM 793 CA THR A 79 -1.512 6.943 2.583 1.00 0.00 C ATOM 794 C THR A 79 -2.987 6.557 2.616 1.00 0.00 C ATOM 795 O THR A 79 -3.861 7.377 2.335 1.00 0.00 O ATOM 796 CB THR A 79 -0.804 6.172 1.468 1.00 0.00 C ATOM 797 OG1 THR A 79 -0.589 4.826 1.851 1.00 0.00 O ATOM 798 CG2 THR A 79 0.536 6.761 1.083 1.00 0.00 C ATOM 0 H THR A 79 -0.176 5.937 3.851 1.00 0.00 H new ATOM 0 HA THR A 79 -1.433 8.012 2.384 1.00 0.00 H new ATOM 0 HB THR A 79 -1.468 6.238 0.606 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.174 4.778 2.465 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.981 6.164 0.287 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.397 7.784 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.197 6.760 1.950 1.00 0.00 H new ATOM 806 N LEU A 80 -3.255 5.301 2.963 1.00 0.00 N ATOM 807 CA LEU A 80 -4.624 4.799 3.035 1.00 0.00 C ATOM 808 C LEU A 80 -5.486 5.689 3.927 1.00 0.00 C ATOM 809 O LEU A 80 -6.682 5.854 3.686 1.00 0.00 O ATOM 810 CB LEU A 80 -4.634 3.364 3.567 1.00 0.00 C ATOM 811 CG LEU A 80 -4.073 2.310 2.611 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.700 1.046 3.370 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.081 1.998 1.517 1.00 0.00 C ATOM 0 H LEU A 80 -2.541 4.612 3.199 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.042 4.811 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.060 3.333 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.660 3.094 3.818 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.171 2.709 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.303 0.307 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.944 1.281 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.585 0.642 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.667 1.246 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.999 1.618 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.301 2.906 0.955 1.00 0.00 H new ATOM 825 N ASP A 81 -4.868 6.261 4.955 1.00 0.00 N ATOM 826 CA ASP A 81 -5.576 7.135 5.884 1.00 0.00 C ATOM 827 C ASP A 81 -6.119 8.367 5.166 1.00 0.00 C ATOM 828 O ASP A 81 -7.220 8.833 5.457 1.00 0.00 O ATOM 829 CB ASP A 81 -4.648 7.561 7.023 1.00 0.00 C ATOM 830 CG ASP A 81 -4.645 6.567 8.167 1.00 0.00 C ATOM 831 OD1 ASP A 81 -4.188 5.423 7.959 1.00 0.00 O ATOM 832 OD2 ASP A 81 -5.097 6.932 9.273 1.00 0.00 O ATOM 0 H ASP A 81 -3.878 6.135 5.166 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.417 6.579 6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.634 7.673 6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.958 8.538 7.395 1.00 0.00 H new ATOM 837 N MET A 82 -5.337 8.891 4.227 1.00 0.00 N ATOM 838 CA MET A 82 -5.738 10.069 3.467 1.00 0.00 C ATOM 839 C MET A 82 -6.883 9.740 2.514 1.00 0.00 C ATOM 840 O MET A 82 -7.716 10.594 2.210 1.00 0.00 O ATOM 841 CB MET A 82 -4.549 10.624 2.680 1.00 0.00 C ATOM 842 CG MET A 82 -3.543 11.368 3.543 1.00 0.00 C ATOM 843 SD MET A 82 -2.358 12.315 2.567 1.00 0.00 S ATOM 844 CE MET A 82 -1.747 11.050 1.456 1.00 0.00 C ATOM 0 H MET A 82 -4.422 8.518 3.975 1.00 0.00 H new ATOM 0 HA MET A 82 -6.083 10.824 4.173 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.043 9.802 2.174 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.918 11.296 1.906 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.075 12.041 4.216 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.006 10.653 4.166 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.832 11.398 0.976 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.538 10.141 2.020 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.499 10.840 0.695 1.00 0.00 H new ATOM 854 N ALA A 83 -6.917 8.497 2.045 1.00 0.00 N ATOM 855 CA ALA A 83 -7.958 8.056 1.125 1.00 0.00 C ATOM 856 C ALA A 83 -9.245 7.721 1.871 1.00 0.00 C ATOM 857 O ALA A 83 -10.343 7.958 1.368 1.00 0.00 O ATOM 858 CB ALA A 83 -7.480 6.856 0.324 1.00 0.00 C ATOM 0 H ALA A 83 -6.236 7.778 2.287 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.172 8.875 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.268 6.537 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.593 7.130 -0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.236 6.039 1.003 1.00 0.00 H new ATOM 864 N ASP A 84 -9.104 7.170 3.073 1.00 0.00 N ATOM 865 CA ASP A 84 -10.255 6.805 3.888 1.00 0.00 C ATOM 866 C ASP A 84 -10.638 7.943 4.830 1.00 0.00 C ATOM 867 O ASP A 84 -10.974 7.715 5.993 1.00 0.00 O ATOM 868 CB ASP A 84 -9.950 5.541 4.693 1.00 0.00 C ATOM 869 CG ASP A 84 -8.731 5.701 5.581 1.00 0.00 C ATOM 870 OD1 ASP A 84 -8.631 6.737 6.270 1.00 0.00 O ATOM 871 OD2 ASP A 84 -7.878 4.788 5.587 1.00 0.00 O ATOM 0 H ASP A 84 -8.202 6.967 3.504 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.096 6.612 3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.814 5.288 5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.791 4.707 4.009 1.00 0.00 H new ATOM 876 N MET A 85 -10.582 9.169 4.321 1.00 0.00 N ATOM 877 CA MET A 85 -10.920 10.345 5.114 1.00 0.00 C ATOM 878 C MET A 85 -11.907 11.243 4.373 1.00 0.00 C ATOM 879 O MET A 85 -12.842 11.778 4.968 1.00 0.00 O ATOM 880 CB MET A 85 -9.653 11.133 5.452 1.00 0.00 C ATOM 881 CG MET A 85 -9.859 12.174 6.540 1.00 0.00 C ATOM 882 SD MET A 85 -8.672 12.018 7.890 1.00 0.00 S ATOM 883 CE MET A 85 -9.656 12.578 9.277 1.00 0.00 C ATOM 0 H MET A 85 -10.305 9.374 3.361 1.00 0.00 H new ATOM 0 HA MET A 85 -11.392 10.006 6.036 1.00 0.00 H new ATOM 0 HB2 MET A 85 -8.876 10.437 5.768 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.291 11.628 4.551 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.778 13.170 6.104 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.869 12.082 6.938 1.00 0.00 H new ATOM 0 HE1 MET A 85 -9.057 12.539 10.187 1.00 0.00 H new ATOM 0 HE2 MET A 85 -9.982 13.603 9.101 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.528 11.934 9.388 1.00 0.00 H new ATOM 893 N GLN A 86 -11.685 11.406 3.072 1.00 0.00 N ATOM 894 CA GLN A 86 -12.543 12.243 2.234 1.00 0.00 C ATOM 895 C GLN A 86 -14.025 11.994 2.512 1.00 0.00 C ATOM 896 O GLN A 86 -14.853 12.888 2.343 1.00 0.00 O ATOM 897 CB GLN A 86 -12.244 11.989 0.756 1.00 0.00 C ATOM 898 CG GLN A 86 -12.833 13.038 -0.173 1.00 0.00 C ATOM 899 CD GLN A 86 -11.974 14.284 -0.264 1.00 0.00 C ATOM 900 OE1 GLN A 86 -10.758 14.203 -0.436 1.00 0.00 O ATOM 901 NE2 GLN A 86 -12.604 15.447 -0.147 1.00 0.00 N ATOM 0 H GLN A 86 -10.913 10.967 2.571 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.327 13.283 2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.164 11.955 0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.634 11.010 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.953 12.610 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.828 13.312 0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.614 15.468 -0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.078 16.319 -0.199 1.00 0.00 H new ATOM 910 N HIS A 87 -14.355 10.778 2.936 1.00 0.00 N ATOM 911 CA HIS A 87 -15.743 10.427 3.232 1.00 0.00 C ATOM 912 C HIS A 87 -16.109 10.818 4.662 1.00 0.00 C ATOM 913 O HIS A 87 -16.597 9.993 5.436 1.00 0.00 O ATOM 914 CB HIS A 87 -15.988 8.925 3.026 1.00 0.00 C ATOM 915 CG HIS A 87 -14.992 8.255 2.130 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.799 7.740 2.589 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.018 8.010 0.798 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.134 7.208 1.581 1.00 0.00 C ATOM 919 NE2 HIS A 87 -13.851 7.358 0.483 1.00 0.00 N ATOM 0 H HIS A 87 -13.686 10.022 3.082 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.377 10.982 2.541 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.976 8.430 3.997 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.986 8.785 2.609 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -13.480 7.766 3.557 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -15.808 8.277 0.112 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.167 6.731 1.644 1.00 0.00 H new ATOM 1110 N LEU A 101 -6.772 17.467 -0.900 1.00 0.00 N ATOM 1111 CA LEU A 101 -7.136 17.150 -2.275 1.00 0.00 C ATOM 1112 C LEU A 101 -7.346 15.645 -2.442 1.00 0.00 C ATOM 1113 O LEU A 101 -6.491 14.847 -2.060 1.00 0.00 O ATOM 1114 CB LEU A 101 -6.068 17.643 -3.248 1.00 0.00 C ATOM 1115 CG LEU A 101 -5.577 19.072 -2.999 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -4.056 19.126 -2.996 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -6.142 20.021 -4.046 1.00 0.00 C ATOM 0 HA LEU A 101 -8.071 17.661 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.214 16.968 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.465 17.582 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.932 19.389 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.729 20.150 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.671 18.479 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.678 18.787 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.782 21.032 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.818 19.704 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.231 20.008 -3.999 1.00 0.00 H new ATOM 1129 N PRO A 102 -8.498 15.238 -3.006 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.833 13.819 -3.206 1.00 0.00 C ATOM 1131 C PRO A 102 -7.838 13.065 -4.092 1.00 0.00 C ATOM 1132 O PRO A 102 -7.919 11.844 -4.211 1.00 0.00 O ATOM 1133 CB PRO A 102 -10.211 13.863 -3.879 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.761 15.206 -3.546 1.00 0.00 C ATOM 1135 CD PRO A 102 -9.577 16.124 -3.477 1.00 0.00 C ATOM 0 HA PRO A 102 -8.811 13.281 -2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.128 13.727 -4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.858 13.068 -3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.470 15.538 -4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.296 15.185 -2.597 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.346 16.559 -4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.748 16.952 -2.790 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.908 13.782 -4.716 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.923 13.143 -5.585 1.00 0.00 C ATOM 1145 C HIS A 103 -4.590 12.927 -4.865 1.00 0.00 C ATOM 1146 O HIS A 103 -3.701 12.252 -5.384 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.715 13.967 -6.861 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.860 15.185 -6.674 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -4.685 15.807 -5.455 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -4.124 15.894 -7.564 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -3.881 16.845 -5.604 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -3.527 16.919 -6.873 1.00 0.00 N ATOM 0 H HIS A 103 -6.815 14.795 -4.638 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.314 12.163 -5.859 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.261 13.331 -7.621 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.688 14.275 -7.244 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.025 15.691 -8.620 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.567 17.518 -4.820 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.909 17.624 -7.276 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.455 13.497 -3.670 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.228 13.352 -2.895 1.00 0.00 C ATOM 1163 C GLU A 104 -3.006 11.895 -2.503 1.00 0.00 C ATOM 1164 O GLU A 104 -1.940 11.331 -2.748 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.284 14.226 -1.640 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.815 15.653 -1.872 1.00 0.00 C ATOM 1167 CD GLU A 104 -2.353 16.329 -0.596 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -3.040 16.179 0.437 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -1.306 17.008 -0.629 1.00 0.00 O ATOM 0 H GLU A 104 -5.177 14.060 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.394 13.677 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.308 14.245 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.669 13.772 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.998 15.650 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.627 16.232 -2.312 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.022 11.293 -1.895 1.00 0.00 N ATOM 1177 CA ASN A 105 -3.940 9.900 -1.470 1.00 0.00 C ATOM 1178 C ASN A 105 -3.786 8.973 -2.671 1.00 0.00 C ATOM 1179 O ASN A 105 -3.118 7.944 -2.589 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.185 9.512 -0.667 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.469 9.984 -1.320 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -6.756 9.647 -2.469 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.249 10.770 -0.587 1.00 0.00 N ATOM 0 H ASN A 105 -4.911 11.747 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.061 9.793 -0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.216 8.428 -0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.114 9.936 0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.126 11.120 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.971 11.024 0.361 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.408 9.347 -3.784 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.342 8.551 -5.006 1.00 0.00 C ATOM 1192 C VAL A 106 -2.897 8.307 -5.432 1.00 0.00 C ATOM 1193 O VAL A 106 -2.410 7.177 -5.389 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.098 9.234 -6.162 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -5.133 8.335 -7.389 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -6.507 9.609 -5.729 1.00 0.00 C ATOM 0 H VAL A 106 -4.965 10.198 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.816 7.595 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 106 -4.566 10.148 -6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -5.672 8.837 -8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.114 8.122 -7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -5.638 7.401 -7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.026 10.090 -6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.048 8.710 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.457 10.296 -4.884 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.217 9.373 -5.845 1.00 0.00 N ATOM 1207 CA ASP A 107 -0.827 9.273 -6.281 1.00 0.00 C ATOM 1208 C ASP A 107 0.027 8.575 -5.227 1.00 0.00 C ATOM 1209 O ASP A 107 0.908 7.780 -5.555 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.262 10.665 -6.572 1.00 0.00 C ATOM 1211 CG ASP A 107 -0.684 11.189 -7.930 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -0.622 10.417 -8.910 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -1.077 12.372 -8.014 1.00 0.00 O ATOM 0 H ASP A 107 -2.605 10.315 -5.887 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.801 8.678 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.595 11.358 -5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.826 10.630 -6.522 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.242 8.877 -3.962 1.00 0.00 N ATOM 1219 CA ASP A 108 0.500 8.277 -2.859 1.00 0.00 C ATOM 1220 C ASP A 108 0.157 6.796 -2.715 1.00 0.00 C ATOM 1221 O ASP A 108 0.993 5.991 -2.301 1.00 0.00 O ATOM 1222 CB ASP A 108 0.197 9.018 -1.555 1.00 0.00 C ATOM 1223 CG ASP A 108 1.442 9.256 -0.723 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.288 8.340 -0.646 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.571 10.357 -0.149 1.00 0.00 O ATOM 0 H ASP A 108 -0.968 9.533 -3.675 1.00 0.00 H new ATOM 0 HA ASP A 108 1.565 8.362 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.272 9.975 -1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.522 8.443 -0.972 1.00 0.00 H new ATOM 1230 N MET A 109 -1.075 6.442 -3.067 1.00 0.00 N ATOM 1231 CA MET A 109 -1.526 5.058 -2.983 1.00 0.00 C ATOM 1232 C MET A 109 -0.659 4.163 -3.858 1.00 0.00 C ATOM 1233 O MET A 109 -0.034 3.217 -3.379 1.00 0.00 O ATOM 1234 CB MET A 109 -2.989 4.950 -3.419 1.00 0.00 C ATOM 1235 CG MET A 109 -3.739 3.813 -2.751 1.00 0.00 C ATOM 1236 SD MET A 109 -3.763 3.963 -0.958 1.00 0.00 S ATOM 1237 CE MET A 109 -4.758 5.439 -0.778 1.00 0.00 C ATOM 0 H MET A 109 -1.778 7.095 -3.413 1.00 0.00 H new ATOM 0 HA MET A 109 -1.439 4.730 -1.947 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.496 5.889 -3.197 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.028 4.815 -4.500 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.763 3.789 -3.124 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.277 2.865 -3.027 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.463 5.305 0.043 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.111 6.290 -0.565 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.307 5.623 -1.702 1.00 0.00 H new ATOM 1247 N ARG A 110 -0.626 4.481 -5.145 1.00 0.00 N ATOM 1248 CA ARG A 110 0.166 3.725 -6.108 1.00 0.00 C ATOM 1249 C ARG A 110 1.624 3.656 -5.667 1.00 0.00 C ATOM 1250 O ARG A 110 2.339 2.709 -5.990 1.00 0.00 O ATOM 1251 CB ARG A 110 0.070 4.364 -7.496 1.00 0.00 C ATOM 1252 CG ARG A 110 -1.319 4.880 -7.834 1.00 0.00 C ATOM 1253 CD ARG A 110 -1.672 4.626 -9.291 1.00 0.00 C ATOM 1254 NE ARG A 110 -2.526 3.452 -9.450 1.00 0.00 N ATOM 1255 CZ ARG A 110 -3.074 3.084 -10.606 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -2.859 3.795 -11.706 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -3.839 2.002 -10.663 1.00 0.00 N ATOM 0 H ARG A 110 -1.142 5.263 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.233 2.712 -6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.780 5.189 -7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.368 3.631 -8.246 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.054 4.395 -7.191 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.371 5.949 -7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.178 5.501 -9.699 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.757 4.490 -9.867 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.714 2.880 -8.626 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.271 4.628 -11.668 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.281 3.508 -12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.008 1.452 -9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.259 1.720 -11.549 1.00 0.00 H new ATOM 1271 N SER A 111 2.056 4.664 -4.916 1.00 0.00 N ATOM 1272 CA SER A 111 3.425 4.709 -4.421 1.00 0.00 C ATOM 1273 C SER A 111 3.723 3.464 -3.595 1.00 0.00 C ATOM 1274 O SER A 111 4.800 2.875 -3.700 1.00 0.00 O ATOM 1275 CB SER A 111 3.648 5.966 -3.577 1.00 0.00 C ATOM 1276 OG SER A 111 4.993 6.405 -3.661 1.00 0.00 O ATOM 0 H SER A 111 1.479 5.458 -4.638 1.00 0.00 H new ATOM 0 HA SER A 111 4.103 4.739 -5.274 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.982 6.759 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.394 5.760 -2.537 1.00 0.00 H new ATOM 0 HG SER A 111 5.109 7.210 -3.115 1.00 0.00 H new ATOM 1282 N ALA A 112 2.751 3.063 -2.782 1.00 0.00 N ATOM 1283 CA ALA A 112 2.898 1.880 -1.944 1.00 0.00 C ATOM 1284 C ALA A 112 2.956 0.618 -2.797 1.00 0.00 C ATOM 1285 O ALA A 112 3.849 -0.213 -2.633 1.00 0.00 O ATOM 1286 CB ALA A 112 1.754 1.792 -0.945 1.00 0.00 C ATOM 0 H ALA A 112 1.854 3.540 -2.686 1.00 0.00 H new ATOM 0 HA ALA A 112 3.835 1.965 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.878 0.903 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.756 2.678 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.807 1.731 -1.481 1.00 0.00 H new ATOM 1292 N ILE A 113 1.999 0.480 -3.713 1.00 0.00 N ATOM 1293 CA ILE A 113 1.951 -0.683 -4.590 1.00 0.00 C ATOM 1294 C ILE A 113 3.193 -0.746 -5.475 1.00 0.00 C ATOM 1295 O ILE A 113 3.599 -1.820 -5.914 1.00 0.00 O ATOM 1296 CB ILE A 113 0.670 -0.690 -5.462 1.00 0.00 C ATOM 1297 CG1 ILE A 113 0.156 -2.120 -5.632 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.916 -0.048 -6.823 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -0.891 -2.511 -4.612 1.00 0.00 C ATOM 0 H ILE A 113 1.251 1.157 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 113 1.927 -1.568 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.088 -0.098 -4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.264 -2.230 -6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.996 -2.810 -5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.004 -0.070 -7.407 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.233 0.986 -6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.694 -0.600 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.210 -3.537 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.469 -2.433 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.749 -1.844 -4.697 1.00 0.00 H new ATOM 1311 N THR A 114 3.799 0.412 -5.724 1.00 0.00 N ATOM 1312 CA THR A 114 5.001 0.478 -6.544 1.00 0.00 C ATOM 1313 C THR A 114 6.120 -0.326 -5.895 1.00 0.00 C ATOM 1314 O THR A 114 6.867 -1.035 -6.571 1.00 0.00 O ATOM 1315 CB THR A 114 5.440 1.931 -6.734 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.414 2.688 -7.350 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.687 2.076 -7.579 1.00 0.00 C ATOM 0 H THR A 114 3.477 1.313 -5.370 1.00 0.00 H new ATOM 0 HA THR A 114 4.779 0.052 -7.522 1.00 0.00 H new ATOM 0 HB THR A 114 5.656 2.300 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.755 2.956 -6.676 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.942 3.132 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.512 1.544 -7.105 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.507 1.657 -8.569 1.00 0.00 H new ATOM 1325 N ASP A 115 6.220 -0.218 -4.574 1.00 0.00 N ATOM 1326 CA ASP A 115 7.236 -0.941 -3.821 1.00 0.00 C ATOM 1327 C ASP A 115 6.753 -2.350 -3.494 1.00 0.00 C ATOM 1328 O ASP A 115 7.515 -3.313 -3.576 1.00 0.00 O ATOM 1329 CB ASP A 115 7.578 -0.193 -2.532 1.00 0.00 C ATOM 1330 CG ASP A 115 9.054 -0.269 -2.194 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.667 -1.327 -2.447 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.597 0.730 -1.676 1.00 0.00 O ATOM 0 H ASP A 115 5.608 0.365 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 115 8.134 -1.011 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.284 0.852 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.998 -0.609 -1.709 1.00 0.00 H new ATOM 1337 N TRP A 116 5.478 -2.462 -3.130 1.00 0.00 N ATOM 1338 CA TRP A 116 4.890 -3.754 -2.798 1.00 0.00 C ATOM 1339 C TRP A 116 4.867 -4.663 -4.022 1.00 0.00 C ATOM 1340 O TRP A 116 5.263 -5.826 -3.952 1.00 0.00 O ATOM 1341 CB TRP A 116 3.472 -3.571 -2.254 1.00 0.00 C ATOM 1342 CG TRP A 116 3.431 -3.322 -0.778 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.434 -2.109 -0.151 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.382 -4.309 0.259 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.387 -2.281 1.211 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.355 -3.623 1.488 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.356 -5.707 0.267 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.304 -4.287 2.711 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.306 -6.365 1.482 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.279 -5.654 2.689 1.00 0.00 C ATOM 0 H TRP A 116 4.834 -1.674 -3.058 1.00 0.00 H new ATOM 0 HA TRP A 116 5.504 -4.221 -2.028 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.998 -2.736 -2.770 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.885 -4.461 -2.482 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.468 -1.153 -0.653 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.377 -1.532 1.903 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.375 -6.263 -0.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.285 -3.742 3.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.287 -7.445 1.501 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.238 -6.197 3.622 1.00 0.00 H new ATOM 1361 N SER A 117 4.409 -4.121 -5.148 1.00 0.00 N ATOM 1362 CA SER A 117 4.346 -4.883 -6.391 1.00 0.00 C ATOM 1363 C SER A 117 5.725 -5.419 -6.754 1.00 0.00 C ATOM 1364 O SER A 117 5.891 -6.611 -7.022 1.00 0.00 O ATOM 1365 CB SER A 117 3.807 -4.010 -7.526 1.00 0.00 C ATOM 1366 OG SER A 117 2.463 -3.631 -7.285 1.00 0.00 O ATOM 0 H SER A 117 4.077 -3.160 -5.225 1.00 0.00 H new ATOM 0 HA SER A 117 3.669 -5.725 -6.245 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.426 -3.119 -7.629 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.871 -4.553 -8.469 1.00 0.00 H new ATOM 0 HG SER A 117 2.437 -2.708 -6.957 1.00 0.00 H new ATOM 1372 N ASP A 118 6.716 -4.533 -6.746 1.00 0.00 N ATOM 1373 CA ASP A 118 8.086 -4.919 -7.059 1.00 0.00 C ATOM 1374 C ASP A 118 8.559 -6.007 -6.102 1.00 0.00 C ATOM 1375 O ASP A 118 9.384 -6.849 -6.458 1.00 0.00 O ATOM 1376 CB ASP A 118 9.015 -3.706 -6.973 1.00 0.00 C ATOM 1377 CG ASP A 118 10.442 -4.042 -7.358 1.00 0.00 C ATOM 1378 OD1 ASP A 118 11.214 -4.458 -6.469 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.787 -3.889 -8.548 1.00 0.00 O ATOM 0 H ASP A 118 6.595 -3.544 -6.526 1.00 0.00 H new ATOM 0 HA ASP A 118 8.112 -5.308 -8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.641 -2.918 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.999 -3.311 -5.957 1.00 0.00 H new ATOM 1384 N MET A 119 8.021 -5.985 -4.886 1.00 0.00 N ATOM 1385 CA MET A 119 8.376 -6.971 -3.875 1.00 0.00 C ATOM 1386 C MET A 119 7.836 -8.344 -4.258 1.00 0.00 C ATOM 1387 O MET A 119 8.536 -9.348 -4.151 1.00 0.00 O ATOM 1388 CB MET A 119 7.826 -6.556 -2.509 1.00 0.00 C ATOM 1389 CG MET A 119 8.368 -7.385 -1.356 1.00 0.00 C ATOM 1390 SD MET A 119 7.948 -6.692 0.254 1.00 0.00 S ATOM 1391 CE MET A 119 9.532 -6.029 0.760 1.00 0.00 C ATOM 0 H MET A 119 7.337 -5.294 -4.578 1.00 0.00 H new ATOM 0 HA MET A 119 9.463 -7.025 -3.815 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.064 -5.507 -2.334 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.739 -6.638 -2.524 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.973 -8.399 -1.425 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.452 -7.458 -1.444 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.622 -6.090 1.845 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.333 -6.605 0.296 1.00 0.00 H new ATOM 0 HE3 MET A 119 9.607 -4.987 0.448 1.00 0.00 H new ATOM 1401 N ARG A 120 6.587 -8.380 -4.712 1.00 0.00 N ATOM 1402 CA ARG A 120 5.957 -9.633 -5.117 1.00 0.00 C ATOM 1403 C ARG A 120 6.868 -10.419 -6.056 1.00 0.00 C ATOM 1404 O ARG A 120 6.967 -11.643 -5.963 1.00 0.00 O ATOM 1405 CB ARG A 120 4.616 -9.357 -5.802 1.00 0.00 C ATOM 1406 CG ARG A 120 3.495 -9.020 -4.832 1.00 0.00 C ATOM 1407 CD ARG A 120 2.182 -8.781 -5.560 1.00 0.00 C ATOM 1408 NE ARG A 120 1.691 -9.991 -6.216 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.437 -10.151 -6.633 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.455 -9.182 -6.467 1.00 0.00 N ATOM 1411 NH2 ARG A 120 0.073 -11.283 -7.220 1.00 0.00 N ATOM 0 H ARG A 120 5.992 -7.558 -4.809 1.00 0.00 H new ATOM 0 HA ARG A 120 5.783 -10.230 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.739 -8.532 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.329 -10.231 -6.386 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.373 -9.834 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.762 -8.131 -4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 120 1.435 -8.424 -4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.317 -7.995 -6.303 1.00 0.00 H new ATOM 0 HE ARG A 120 2.347 -10.758 -6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -0.181 -8.308 -6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.414 -9.311 -6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.754 -12.031 -7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.888 -11.406 -7.540 1.00 0.00 H new ATOM 1425 N GLU A 121 7.537 -9.703 -6.954 1.00 0.00 N ATOM 1426 CA GLU A 121 8.446 -10.330 -7.907 1.00 0.00 C ATOM 1427 C GLU A 121 9.814 -10.571 -7.274 1.00 0.00 C ATOM 1428 O GLU A 121 10.422 -11.623 -7.470 1.00 0.00 O ATOM 1429 CB GLU A 121 8.594 -9.456 -9.154 1.00 0.00 C ATOM 1430 CG GLU A 121 7.323 -9.359 -9.982 1.00 0.00 C ATOM 1431 CD GLU A 121 7.542 -8.650 -11.304 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.346 -7.694 -11.340 1.00 0.00 O ATOM 1433 OE2 GLU A 121 6.911 -9.051 -12.304 1.00 0.00 O ATOM 0 H GLU A 121 7.467 -8.689 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 121 8.024 -11.293 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.898 -8.454 -8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.394 -9.858 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.939 -10.362 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.561 -8.828 -9.411 1.00 0.00 H new ATOM 1440 N ALA A 122 10.292 -9.589 -6.515 1.00 0.00 N ATOM 1441 CA ALA A 122 11.588 -9.695 -5.853 1.00 0.00 C ATOM 1442 C ALA A 122 11.568 -10.775 -4.777 1.00 0.00 C ATOM 1443 O ALA A 122 12.330 -11.740 -4.837 1.00 0.00 O ATOM 1444 CB ALA A 122 11.983 -8.355 -5.250 1.00 0.00 C ATOM 0 H ALA A 122 9.801 -8.711 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 122 12.329 -9.978 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.952 -8.448 -4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.047 -7.606 -6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.234 -8.050 -4.519 1.00 0.00 H new ATOM 1450 N LEU A 123 10.690 -10.605 -3.793 1.00 0.00 N ATOM 1451 CA LEU A 123 10.563 -11.563 -2.699 1.00 0.00 C ATOM 1452 C LEU A 123 10.398 -12.983 -3.234 1.00 0.00 C ATOM 1453 O LEU A 123 11.044 -13.917 -2.758 1.00 0.00 O ATOM 1454 CB LEU A 123 9.371 -11.195 -1.810 1.00 0.00 C ATOM 1455 CG LEU A 123 9.715 -10.916 -0.346 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.761 -9.817 -0.244 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.462 -10.538 0.430 1.00 0.00 C ATOM 0 H LEU A 123 10.054 -9.810 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 123 11.476 -11.524 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.885 -10.313 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.645 -12.007 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 123 10.130 -11.824 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.993 -9.632 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.666 -10.126 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.375 -8.904 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.723 -10.343 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.019 -9.643 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.745 -11.357 0.384 1.00 0.00 H new ATOM 1469 N GLN A 124 9.530 -13.136 -4.229 1.00 0.00 N ATOM 1470 CA GLN A 124 9.281 -14.439 -4.832 1.00 0.00 C ATOM 1471 C GLN A 124 10.545 -14.981 -5.492 1.00 0.00 C ATOM 1472 O GLN A 124 10.852 -16.168 -5.387 1.00 0.00 O ATOM 1473 CB GLN A 124 8.155 -14.340 -5.863 1.00 0.00 C ATOM 1474 CG GLN A 124 6.765 -14.360 -5.249 1.00 0.00 C ATOM 1475 CD GLN A 124 5.666 -14.334 -6.293 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.365 -15.494 -6.864 1.00 0.00 O flip ATOM 1477 NE2 GLN A 124 5.094 -13.283 -6.582 1.00 0.00 N flip ATOM 0 H GLN A 124 8.988 -12.373 -4.634 1.00 0.00 H new ATOM 0 HA GLN A 124 8.981 -15.127 -4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.277 -13.420 -6.435 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.244 -15.167 -6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.656 -15.254 -4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.652 -13.502 -4.587 1.00 0.00 H new ATOM 0 HE21 GLN A 124 5.358 -12.414 -6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 124 4.356 -13.281 -7.286 1.00 0.00 H new ATOM 1486 N HIS A 125 11.273 -14.101 -6.173 1.00 0.00 N ATOM 1487 CA HIS A 125 12.504 -14.490 -6.850 1.00 0.00 C ATOM 1488 C HIS A 125 13.594 -14.840 -5.842 1.00 0.00 C ATOM 1489 O HIS A 125 14.249 -15.876 -5.955 1.00 0.00 O ATOM 1490 CB HIS A 125 12.984 -13.365 -7.769 1.00 0.00 C ATOM 1491 CG HIS A 125 13.859 -13.838 -8.887 1.00 0.00 C ATOM 1492 ND1 HIS A 125 14.765 -14.868 -8.750 1.00 0.00 N ATOM 1493 CD2 HIS A 125 13.962 -13.417 -10.171 1.00 0.00 C ATOM 1494 CE1 HIS A 125 15.388 -15.060 -9.899 1.00 0.00 C ATOM 1495 NE2 HIS A 125 14.919 -14.193 -10.777 1.00 0.00 N ATOM 0 H HIS A 125 11.031 -13.115 -6.270 1.00 0.00 H new ATOM 0 HA HIS A 125 12.293 -15.375 -7.451 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.117 -12.855 -8.188 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.530 -12.631 -7.177 1.00 0.00 H new ATOM 0 HD1 HIS A 125 14.929 -15.399 -7.895 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.397 -12.620 -10.632 1.00 0.00 H new ATOM 0 HE1 HIS A 125 16.151 -15.800 -10.088 1.00 0.00 H new ATOM 1504 N ALA A 126 13.783 -13.968 -4.856 1.00 0.00 N ATOM 1505 CA ALA A 126 14.793 -14.186 -3.827 1.00 0.00 C ATOM 1506 C ALA A 126 14.547 -15.494 -3.083 1.00 0.00 C ATOM 1507 O ALA A 126 15.455 -16.309 -2.923 1.00 0.00 O ATOM 1508 CB ALA A 126 14.813 -13.018 -2.853 1.00 0.00 C ATOM 0 H ALA A 126 13.250 -13.105 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 126 15.765 -14.255 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.571 -13.193 -2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.046 -12.099 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.836 -12.923 -2.379 1.00 0.00 H new ATOM 1514 N MET A 127 13.311 -15.689 -2.629 1.00 0.00 N ATOM 1515 CA MET A 127 12.943 -16.899 -1.901 1.00 0.00 C ATOM 1516 C MET A 127 13.336 -18.151 -2.682 1.00 0.00 C ATOM 1517 O MET A 127 13.708 -19.168 -2.097 1.00 0.00 O ATOM 1518 CB MET A 127 11.440 -16.912 -1.621 1.00 0.00 C ATOM 1519 CG MET A 127 11.072 -17.570 -0.301 1.00 0.00 C ATOM 1520 SD MET A 127 9.341 -18.071 -0.233 1.00 0.00 S ATOM 1521 CE MET A 127 8.538 -16.485 -0.019 1.00 0.00 C ATOM 0 H MET A 127 12.548 -15.024 -2.753 1.00 0.00 H new ATOM 0 HA MET A 127 13.485 -16.900 -0.955 1.00 0.00 H new ATOM 0 HB2 MET A 127 11.070 -15.887 -1.622 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.932 -17.435 -2.432 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.705 -18.443 -0.146 1.00 0.00 H new ATOM 0 HG3 MET A 127 11.278 -16.878 0.515 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.893 -16.519 0.859 1.00 0.00 H new ATOM 0 HE2 MET A 127 9.293 -15.710 0.115 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.939 -16.259 -0.901 1.00 0.00 H new ATOM 1531 N GLY A 128 13.252 -18.068 -4.006 1.00 0.00 N ATOM 1532 CA GLY A 128 13.603 -19.199 -4.844 1.00 0.00 C ATOM 1533 C GLY A 128 12.524 -19.531 -5.856 1.00 0.00 C ATOM 1534 O GLY A 128 12.158 -20.695 -6.024 1.00 0.00 O ATOM 0 H GLY A 128 12.947 -17.237 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.534 -18.983 -5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.786 -20.070 -4.215 1.00 0.00 H new ATOM 1538 N ILE A 129 12.012 -18.507 -6.531 1.00 0.00 N ATOM 1539 CA ILE A 129 10.969 -18.697 -7.531 1.00 0.00 C ATOM 1540 C ILE A 129 11.326 -17.994 -8.837 1.00 0.00 C ATOM 1541 O ILE A 129 12.155 -17.084 -8.857 1.00 0.00 O ATOM 1542 CB ILE A 129 9.609 -18.170 -7.034 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.334 -18.662 -5.611 1.00 0.00 C ATOM 1544 CG2 ILE A 129 8.495 -18.605 -7.975 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.044 -18.131 -5.027 1.00 0.00 C ATOM 0 H ILE A 129 12.303 -17.538 -6.403 1.00 0.00 H new ATOM 0 HA ILE A 129 10.892 -19.770 -7.706 1.00 0.00 H new ATOM 0 HB ILE A 129 9.642 -17.081 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.302 -19.752 -5.612 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.163 -18.368 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.541 -18.225 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 129 8.686 -18.209 -8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.459 -19.694 -8.018 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.914 -18.521 -4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.081 -17.042 -4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.206 -18.447 -5.648 1.00 0.00 H new