USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 ASN : amide:sc= -4.15! C(o=-14!,f=-19!) USER MOD Set 1.2: A 109 MET CE :methyl -118:sc= -9.58! (180deg=-16.5!) USER MOD Set 2.1: A 73 TYR OH : rot -117:sc= 0.619 USER MOD Set 2.2: A 77 GLN : amide:sc= 0.139 K(o=0.76,f=-0.48) USER MOD Set 3.1: A 54 HIS : no HD1:sc= -2.95 K(o=-2.8,f=-9!) USER MOD Set 3.2: A 58 SER OG : rot -109:sc= 1.16 USER MOD Set 3.3: A 59 SER OG : rot 120:sc= -0.0871 USER MOD Set 3.4: A 69 TYR OH : rot 70:sc= -0.868 USER MOD Set 4.1: A 32 THR OG1 : rot 180:sc= -0.208 USER MOD Set 4.2: A 33 SER OG : rot 180:sc= 0.0735 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.391 F(o=-1.4,f=-0.39) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.312 X(o=-0.31,f=0.068) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 46 SER OG : rot 95:sc= 0.127 USER MOD Single : A 53 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.7) USER MOD Single : A 60 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.4) USER MOD Single : A 63 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.052) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 67 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.99) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HD1:sc= 0.0251 F(o=-0.48,f=0.025) USER MOD Single : A 76 THR OG1 : rot 70:sc= -2.47! USER MOD Single : A 79 THR OG1 : rot -77:sc= -0.106 USER MOD Single : A 82 MET CE :methyl -173:sc= -0.0534 (180deg=-0.186) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN :FLIP amide:sc= 0.654 F(o=-1.8,f=0.65) USER MOD Single : A 87 HIS : no HD1:sc= -2.92 K(o=-2.9,f=-6.9!) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -4.9! C(o=-6.8!,f=-4.9!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 68:sc= 0.411 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -98:sc= -0.505 (180deg=-1.61) USER MOD Single : A 124 GLN :FLIP amide:sc= 0.315 F(o=-0.91,f=0.31) USER MOD Single : A 125 HIS : no HD1:sc= -0.197 K(o=-0.2,f=-0.98) USER MOD Single : A 127 MET CE :methyl -158:sc= -0.0729 (180deg=-0.544) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.323 11.159 -7.347 1.00 0.00 N ATOM 44 CA THR A 32 -15.536 10.895 -6.578 1.00 0.00 C ATOM 45 C THR A 32 -15.209 10.256 -5.233 1.00 0.00 C ATOM 46 O THR A 32 -14.111 9.736 -5.031 1.00 0.00 O ATOM 47 CB THR A 32 -16.477 9.983 -7.366 1.00 0.00 C ATOM 48 OG1 THR A 32 -17.612 9.642 -6.590 1.00 0.00 O ATOM 49 CG2 THR A 32 -15.824 8.694 -7.815 1.00 0.00 C ATOM 0 HA THR A 32 -16.028 11.850 -6.395 1.00 0.00 H new ATOM 0 HB THR A 32 -16.760 10.555 -8.250 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.202 9.060 -7.112 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.546 8.094 -8.368 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.973 8.922 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.481 8.137 -6.943 1.00 0.00 H new ATOM 57 N SER A 33 -16.171 10.295 -4.318 1.00 0.00 N ATOM 58 CA SER A 33 -15.989 9.715 -2.993 1.00 0.00 C ATOM 59 C SER A 33 -15.804 8.205 -3.089 1.00 0.00 C ATOM 60 O SER A 33 -15.011 7.618 -2.353 1.00 0.00 O ATOM 61 CB SER A 33 -17.189 10.041 -2.101 1.00 0.00 C ATOM 62 OG SER A 33 -18.323 10.391 -2.877 1.00 0.00 O ATOM 0 H SER A 33 -17.085 10.722 -4.470 1.00 0.00 H new ATOM 0 HA SER A 33 -15.092 10.147 -2.550 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.425 9.181 -1.475 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.935 10.863 -1.431 1.00 0.00 H new ATOM 0 HG SER A 33 -19.076 10.593 -2.283 1.00 0.00 H new ATOM 68 N SER A 34 -16.540 7.583 -4.005 1.00 0.00 N ATOM 69 CA SER A 34 -16.454 6.141 -4.200 1.00 0.00 C ATOM 70 C SER A 34 -15.071 5.746 -4.705 1.00 0.00 C ATOM 71 O SER A 34 -14.579 4.657 -4.408 1.00 0.00 O ATOM 72 CB SER A 34 -17.528 5.672 -5.186 1.00 0.00 C ATOM 73 OG SER A 34 -18.449 4.797 -4.558 1.00 0.00 O ATOM 0 H SER A 34 -17.201 8.054 -4.622 1.00 0.00 H new ATOM 0 HA SER A 34 -16.622 5.656 -3.238 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.058 6.535 -5.589 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.057 5.166 -6.028 1.00 0.00 H new ATOM 0 HG SER A 34 -19.126 4.513 -5.208 1.00 0.00 H new ATOM 79 N GLN A 35 -14.447 6.637 -5.468 1.00 0.00 N ATOM 80 CA GLN A 35 -13.119 6.380 -6.011 1.00 0.00 C ATOM 81 C GLN A 35 -12.061 6.467 -4.919 1.00 0.00 C ATOM 82 O GLN A 35 -11.103 5.695 -4.907 1.00 0.00 O ATOM 83 CB GLN A 35 -12.802 7.370 -7.131 1.00 0.00 C ATOM 84 CG GLN A 35 -11.411 7.203 -7.720 1.00 0.00 C ATOM 85 CD GLN A 35 -11.182 5.817 -8.290 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.288 5.060 -7.664 1.00 0.00 O flip ATOM 87 NE2 GLN A 35 -11.802 5.430 -9.281 1.00 0.00 N flip ATOM 0 H GLN A 35 -14.840 7.543 -5.724 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.109 5.370 -6.420 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.539 7.254 -7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.904 8.385 -6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.262 7.944 -8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.667 7.402 -6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.480 6.045 -9.731 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.638 4.494 -9.652 1.00 0.00 H new ATOM 96 N LEU A 36 -12.243 7.407 -3.994 1.00 0.00 N ATOM 97 CA LEU A 36 -11.303 7.581 -2.893 1.00 0.00 C ATOM 98 C LEU A 36 -11.088 6.256 -2.172 1.00 0.00 C ATOM 99 O LEU A 36 -9.954 5.833 -1.942 1.00 0.00 O ATOM 100 CB LEU A 36 -11.820 8.637 -1.913 1.00 0.00 C ATOM 101 CG LEU A 36 -11.214 10.030 -2.082 1.00 0.00 C ATOM 102 CD1 LEU A 36 -9.743 10.022 -1.696 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.389 10.516 -3.513 1.00 0.00 C ATOM 0 H LEU A 36 -13.030 8.056 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.350 7.920 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.902 8.713 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.625 8.294 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.739 10.718 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.328 11.022 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.642 9.716 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.203 9.322 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.952 11.509 -3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.890 9.827 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.451 10.560 -3.755 1.00 0.00 H new ATOM 115 N LEU A 37 -12.191 5.598 -1.835 1.00 0.00 N ATOM 116 CA LEU A 37 -12.133 4.311 -1.159 1.00 0.00 C ATOM 117 C LEU A 37 -11.882 3.189 -2.162 1.00 0.00 C ATOM 118 O LEU A 37 -11.384 2.123 -1.802 1.00 0.00 O ATOM 119 CB LEU A 37 -13.433 4.050 -0.393 1.00 0.00 C ATOM 120 CG LEU A 37 -14.664 3.808 -1.268 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.829 2.325 -1.560 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.912 4.364 -0.597 1.00 0.00 C ATOM 0 H LEU A 37 -13.136 5.936 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.306 4.335 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.289 3.183 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.631 4.902 0.258 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.521 4.329 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.710 2.173 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.946 1.957 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.949 1.781 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.778 4.183 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.058 3.871 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.794 5.436 -0.441 1.00 0.00 H new ATOM 134 N SER A 38 -12.227 3.434 -3.428 1.00 0.00 N ATOM 135 CA SER A 38 -12.032 2.439 -4.476 1.00 0.00 C ATOM 136 C SER A 38 -10.576 1.989 -4.535 1.00 0.00 C ATOM 137 O SER A 38 -10.288 0.793 -4.595 1.00 0.00 O ATOM 138 CB SER A 38 -12.458 3.005 -5.832 1.00 0.00 C ATOM 139 OG SER A 38 -12.286 2.047 -6.861 1.00 0.00 O ATOM 0 H SER A 38 -12.641 4.310 -3.748 1.00 0.00 H new ATOM 0 HA SER A 38 -12.652 1.574 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.503 3.313 -5.789 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.872 3.896 -6.058 1.00 0.00 H new ATOM 0 HG SER A 38 -12.567 2.433 -7.717 1.00 0.00 H new ATOM 145 N VAL A 39 -9.661 2.953 -4.515 1.00 0.00 N ATOM 146 CA VAL A 39 -8.237 2.643 -4.566 1.00 0.00 C ATOM 147 C VAL A 39 -7.728 2.162 -3.212 1.00 0.00 C ATOM 148 O VAL A 39 -6.935 1.224 -3.138 1.00 0.00 O ATOM 149 CB VAL A 39 -7.388 3.843 -5.029 1.00 0.00 C ATOM 150 CG1 VAL A 39 -7.297 3.865 -6.546 1.00 0.00 C ATOM 151 CG2 VAL A 39 -7.949 5.155 -4.498 1.00 0.00 C ATOM 0 H VAL A 39 -9.878 3.948 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.129 1.845 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.384 3.729 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.695 4.717 -6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.833 2.943 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.298 3.951 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.328 5.982 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.967 5.290 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.954 5.134 -3.408 1.00 0.00 H new ATOM 161 N ARG A 40 -8.193 2.797 -2.140 1.00 0.00 N ATOM 162 CA ARG A 40 -7.778 2.408 -0.797 1.00 0.00 C ATOM 163 C ARG A 40 -8.174 0.956 -0.520 1.00 0.00 C ATOM 164 O ARG A 40 -7.605 0.304 0.356 1.00 0.00 O ATOM 165 CB ARG A 40 -8.382 3.357 0.252 1.00 0.00 C ATOM 166 CG ARG A 40 -8.759 2.691 1.570 1.00 0.00 C ATOM 167 CD ARG A 40 -10.146 2.073 1.506 1.00 0.00 C ATOM 168 NE ARG A 40 -10.765 1.983 2.827 1.00 0.00 N ATOM 169 CZ ARG A 40 -10.380 1.126 3.770 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.380 0.283 3.542 1.00 0.00 N ATOM 171 NH2 ARG A 40 -10.995 1.113 4.944 1.00 0.00 N ATOM 0 H ARG A 40 -8.851 3.576 -2.174 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.693 2.484 -0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.667 4.155 0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.271 3.825 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.027 1.920 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.724 3.427 2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.779 2.669 0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.080 1.077 1.068 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.538 2.614 3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.903 0.290 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.089 -0.372 4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.763 1.760 5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.700 0.456 5.667 1.00 0.00 H new ATOM 185 N HIS A 41 -9.144 0.455 -1.280 1.00 0.00 N ATOM 186 CA HIS A 41 -9.606 -0.917 -1.124 1.00 0.00 C ATOM 187 C HIS A 41 -8.678 -1.874 -1.863 1.00 0.00 C ATOM 188 O HIS A 41 -8.416 -2.985 -1.401 1.00 0.00 O ATOM 189 CB HIS A 41 -11.036 -1.061 -1.651 1.00 0.00 C ATOM 190 CG HIS A 41 -12.082 -0.984 -0.582 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.705 -2.096 -0.057 1.00 0.00 N ATOM 192 CD2 HIS A 41 -12.618 0.082 0.060 1.00 0.00 C ATOM 193 CE1 HIS A 41 -13.580 -1.718 0.859 1.00 0.00 C ATOM 194 NE2 HIS A 41 -13.546 -0.402 0.949 1.00 0.00 N ATOM 0 H HIS A 41 -9.624 0.981 -2.010 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.597 -1.167 -0.063 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.223 -0.279 -2.387 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.128 -2.015 -2.169 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.363 1.119 -0.098 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.215 -2.375 1.436 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.117 0.164 1.577 1.00 0.00 H new ATOM 203 N GLN A 42 -8.181 -1.431 -3.014 1.00 0.00 N ATOM 204 CA GLN A 42 -7.277 -2.242 -3.819 1.00 0.00 C ATOM 205 C GLN A 42 -5.848 -2.148 -3.288 1.00 0.00 C ATOM 206 O GLN A 42 -5.106 -3.130 -3.294 1.00 0.00 O ATOM 207 CB GLN A 42 -7.328 -1.798 -5.287 1.00 0.00 C ATOM 208 CG GLN A 42 -6.606 -0.488 -5.564 1.00 0.00 C ATOM 209 CD GLN A 42 -6.410 -0.234 -7.045 1.00 0.00 C ATOM 210 OE1 GLN A 42 -7.317 -0.448 -7.849 1.00 0.00 O ATOM 211 NE2 GLN A 42 -5.220 0.226 -7.415 1.00 0.00 N ATOM 0 H GLN A 42 -8.390 -0.514 -3.409 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.600 -3.281 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.891 -2.580 -5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.370 -1.697 -5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.174 0.335 -5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.635 -0.501 -5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.496 0.389 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.030 0.416 -8.399 1.00 0.00 H new ATOM 220 N LEU A 43 -5.472 -0.956 -2.833 1.00 0.00 N ATOM 221 CA LEU A 43 -4.134 -0.725 -2.301 1.00 0.00 C ATOM 222 C LEU A 43 -3.960 -1.416 -0.951 1.00 0.00 C ATOM 223 O LEU A 43 -3.068 -2.246 -0.778 1.00 0.00 O ATOM 224 CB LEU A 43 -3.876 0.783 -2.163 1.00 0.00 C ATOM 225 CG LEU A 43 -2.404 1.223 -2.156 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.882 1.308 -0.731 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.539 0.285 -2.986 1.00 0.00 C ATOM 0 H LEU A 43 -6.077 -0.135 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.409 -1.148 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.382 1.293 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.340 1.127 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.350 2.213 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.838 1.621 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.471 2.034 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.962 0.331 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.504 0.626 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.600 -0.723 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.893 0.280 -4.017 1.00 0.00 H new ATOM 239 N ALA A 44 -4.817 -1.064 0.003 1.00 0.00 N ATOM 240 CA ALA A 44 -4.763 -1.644 1.342 1.00 0.00 C ATOM 241 C ALA A 44 -4.713 -3.169 1.291 1.00 0.00 C ATOM 242 O ALA A 44 -3.802 -3.788 1.842 1.00 0.00 O ATOM 243 CB ALA A 44 -5.960 -1.186 2.159 1.00 0.00 C ATOM 0 H ALA A 44 -5.560 -0.377 -0.127 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.847 -1.296 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.910 -1.625 3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.951 -0.099 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.879 -1.506 1.668 1.00 0.00 H new ATOM 249 N GLU A 45 -5.699 -3.769 0.631 1.00 0.00 N ATOM 250 CA GLU A 45 -5.771 -5.222 0.512 1.00 0.00 C ATOM 251 C GLU A 45 -4.468 -5.797 -0.037 1.00 0.00 C ATOM 252 O GLU A 45 -3.904 -6.733 0.530 1.00 0.00 O ATOM 253 CB GLU A 45 -6.938 -5.622 -0.393 1.00 0.00 C ATOM 254 CG GLU A 45 -8.288 -5.589 0.306 1.00 0.00 C ATOM 255 CD GLU A 45 -9.118 -6.829 0.034 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.543 -7.937 0.027 1.00 0.00 O ATOM 257 OE2 GLU A 45 -10.342 -6.691 -0.170 1.00 0.00 O ATOM 0 H GLU A 45 -6.460 -3.271 0.170 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.932 -5.632 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.967 -4.952 -1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.761 -6.627 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.134 -5.488 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.840 -4.708 -0.021 1.00 0.00 H new ATOM 264 N SER A 46 -3.995 -5.231 -1.142 1.00 0.00 N ATOM 265 CA SER A 46 -2.759 -5.688 -1.767 1.00 0.00 C ATOM 266 C SER A 46 -1.566 -5.480 -0.838 1.00 0.00 C ATOM 267 O SER A 46 -0.574 -6.205 -0.914 1.00 0.00 O ATOM 268 CB SER A 46 -2.527 -4.950 -3.086 1.00 0.00 C ATOM 269 OG SER A 46 -3.358 -5.466 -4.112 1.00 0.00 O ATOM 0 H SER A 46 -4.449 -4.455 -1.624 1.00 0.00 H new ATOM 0 HA SER A 46 -2.857 -6.755 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.727 -3.887 -2.952 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.481 -5.043 -3.379 1.00 0.00 H new ATOM 0 HG SER A 46 -4.171 -4.923 -4.178 1.00 0.00 H new ATOM 275 N ALA A 47 -1.668 -4.485 0.037 1.00 0.00 N ATOM 276 CA ALA A 47 -0.597 -4.181 0.978 1.00 0.00 C ATOM 277 C ALA A 47 -0.580 -5.175 2.136 1.00 0.00 C ATOM 278 O ALA A 47 -1.053 -4.874 3.231 1.00 0.00 O ATOM 279 CB ALA A 47 -0.744 -2.760 1.502 1.00 0.00 C ATOM 0 H ALA A 47 -2.482 -3.875 0.114 1.00 0.00 H new ATOM 0 HA ALA A 47 0.352 -4.267 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.062 -2.546 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.696 -2.058 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.703 -2.657 2.009 1.00 0.00 H new ATOM 285 N GLY A 48 -0.030 -6.360 1.886 1.00 0.00 N ATOM 286 CA GLY A 48 0.040 -7.378 2.918 1.00 0.00 C ATOM 287 C GLY A 48 0.518 -8.715 2.386 1.00 0.00 C ATOM 288 O GLY A 48 0.083 -9.159 1.323 1.00 0.00 O ATOM 0 H GLY A 48 0.368 -6.633 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.713 -7.044 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.945 -7.501 3.369 1.00 0.00 H new ATOM 292 N LEU A 49 1.417 -9.359 3.126 1.00 0.00 N ATOM 293 CA LEU A 49 1.954 -10.654 2.721 1.00 0.00 C ATOM 294 C LEU A 49 1.075 -11.790 3.243 1.00 0.00 C ATOM 295 O LEU A 49 0.660 -11.777 4.402 1.00 0.00 O ATOM 296 CB LEU A 49 3.385 -10.823 3.240 1.00 0.00 C ATOM 297 CG LEU A 49 4.442 -9.965 2.539 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.296 -10.057 1.027 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.347 -8.519 3.001 1.00 0.00 C ATOM 0 H LEU A 49 1.788 -9.005 4.008 1.00 0.00 H new ATOM 0 HA LEU A 49 1.964 -10.692 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.398 -10.588 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.668 -11.871 3.142 1.00 0.00 H new ATOM 0 HG LEU A 49 5.426 -10.348 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.057 -9.440 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.419 -11.093 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.307 -9.704 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.106 -7.924 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.358 -8.126 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.509 -8.470 4.078 1.00 0.00 H new ATOM 311 N PRO A 50 0.774 -12.792 2.395 1.00 0.00 N ATOM 312 CA PRO A 50 -0.064 -13.928 2.792 1.00 0.00 C ATOM 313 C PRO A 50 0.480 -14.653 4.024 1.00 0.00 C ATOM 314 O PRO A 50 -0.030 -14.473 5.129 1.00 0.00 O ATOM 315 CB PRO A 50 -0.051 -14.842 1.559 1.00 0.00 C ATOM 316 CG PRO A 50 0.309 -13.949 0.422 1.00 0.00 C ATOM 317 CD PRO A 50 1.216 -12.895 0.993 1.00 0.00 C ATOM 0 HA PRO A 50 -1.067 -13.612 3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.674 -15.648 1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.024 -15.308 1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.809 -14.507 -0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.581 -13.500 -0.019 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.264 -13.185 0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.111 -11.946 0.467 1.00 0.00 H new ATOM 325 N ARG A 51 1.514 -15.472 3.837 1.00 0.00 N ATOM 326 CA ARG A 51 2.106 -16.210 4.948 1.00 0.00 C ATOM 327 C ARG A 51 3.602 -16.434 4.737 1.00 0.00 C ATOM 328 O ARG A 51 4.432 -15.849 5.433 1.00 0.00 O ATOM 329 CB ARG A 51 1.397 -17.554 5.131 1.00 0.00 C ATOM 330 CG ARG A 51 1.344 -18.021 6.576 1.00 0.00 C ATOM 331 CD ARG A 51 0.617 -19.349 6.706 1.00 0.00 C ATOM 332 NE ARG A 51 0.109 -19.564 8.059 1.00 0.00 N ATOM 333 CZ ARG A 51 -0.245 -20.754 8.538 1.00 0.00 C ATOM 334 NH1 ARG A 51 -0.150 -21.838 7.778 1.00 0.00 N ATOM 335 NH2 ARG A 51 -0.696 -20.861 9.780 1.00 0.00 N ATOM 0 H ARG A 51 1.955 -15.640 2.933 1.00 0.00 H new ATOM 0 HA ARG A 51 1.978 -15.610 5.849 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.380 -17.475 4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.907 -18.309 4.532 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.357 -18.120 6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.842 -17.269 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.212 -19.380 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.294 -20.161 6.440 1.00 0.00 H new ATOM 0 HE ARG A 51 0.020 -18.754 8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.196 -21.762 6.821 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.423 -22.748 8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.772 -20.031 10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.967 -21.773 10.147 1.00 0.00 H new ATOM 349 N ASP A 52 3.937 -17.295 3.780 1.00 0.00 N ATOM 350 CA ASP A 52 5.331 -17.611 3.482 1.00 0.00 C ATOM 351 C ASP A 52 6.109 -16.365 3.073 1.00 0.00 C ATOM 352 O ASP A 52 7.288 -16.224 3.399 1.00 0.00 O ATOM 353 CB ASP A 52 5.408 -18.660 2.371 1.00 0.00 C ATOM 354 CG ASP A 52 4.649 -19.926 2.716 1.00 0.00 C ATOM 355 OD1 ASP A 52 3.563 -19.820 3.325 1.00 0.00 O ATOM 356 OD2 ASP A 52 5.139 -21.024 2.378 1.00 0.00 O ATOM 0 H ASP A 52 3.261 -17.787 3.196 1.00 0.00 H new ATOM 0 HA ASP A 52 5.784 -18.011 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.006 -18.239 1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.452 -18.907 2.180 1.00 0.00 H new ATOM 361 N GLN A 53 5.447 -15.465 2.353 1.00 0.00 N ATOM 362 CA GLN A 53 6.083 -14.233 1.896 1.00 0.00 C ATOM 363 C GLN A 53 6.746 -13.488 3.054 1.00 0.00 C ATOM 364 O GLN A 53 7.694 -12.730 2.852 1.00 0.00 O ATOM 365 CB GLN A 53 5.056 -13.328 1.214 1.00 0.00 C ATOM 366 CG GLN A 53 5.029 -13.471 -0.300 1.00 0.00 C ATOM 367 CD GLN A 53 3.782 -14.175 -0.798 1.00 0.00 C ATOM 368 OE1 GLN A 53 3.336 -15.162 -0.213 1.00 0.00 O ATOM 369 NE2 GLN A 53 3.212 -13.669 -1.886 1.00 0.00 N ATOM 0 H GLN A 53 4.471 -15.565 2.073 1.00 0.00 H new ATOM 0 HA GLN A 53 6.857 -14.503 1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.066 -13.554 1.610 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.272 -12.291 1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.090 -12.483 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.909 -14.026 -0.624 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.616 -12.849 -2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.370 -14.100 -2.268 1.00 0.00 H new ATOM 378 N HIS A 54 6.241 -13.706 4.264 1.00 0.00 N ATOM 379 CA HIS A 54 6.787 -13.051 5.447 1.00 0.00 C ATOM 380 C HIS A 54 7.897 -13.888 6.078 1.00 0.00 C ATOM 381 O HIS A 54 8.886 -13.350 6.576 1.00 0.00 O ATOM 382 CB HIS A 54 5.683 -12.797 6.475 1.00 0.00 C ATOM 383 CG HIS A 54 6.126 -11.949 7.627 1.00 0.00 C ATOM 384 ND1 HIS A 54 7.153 -12.308 8.474 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.680 -10.749 8.067 1.00 0.00 C ATOM 386 CE1 HIS A 54 7.320 -11.366 9.385 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.439 -10.409 9.160 1.00 0.00 N ATOM 0 H HIS A 54 5.456 -14.330 4.451 1.00 0.00 H new ATOM 0 HA HIS A 54 7.210 -12.097 5.133 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.841 -12.313 5.980 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.323 -13.753 6.855 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.877 -10.167 7.638 1.00 0.00 H new ATOM 0 HE1 HIS A 54 8.052 -11.377 10.179 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.338 -9.555 9.709 1.00 0.00 H new ATOM 396 N GLU A 55 7.721 -15.204 6.061 1.00 0.00 N ATOM 397 CA GLU A 55 8.702 -16.118 6.640 1.00 0.00 C ATOM 398 C GLU A 55 10.088 -15.912 6.031 1.00 0.00 C ATOM 399 O GLU A 55 11.098 -16.256 6.644 1.00 0.00 O ATOM 400 CB GLU A 55 8.256 -17.567 6.437 1.00 0.00 C ATOM 401 CG GLU A 55 7.095 -17.976 7.329 1.00 0.00 C ATOM 402 CD GLU A 55 6.482 -19.300 6.916 1.00 0.00 C ATOM 403 OE1 GLU A 55 7.243 -20.269 6.713 1.00 0.00 O ATOM 404 OE2 GLU A 55 5.240 -19.367 6.796 1.00 0.00 O ATOM 0 H GLU A 55 6.907 -15.664 5.652 1.00 0.00 H new ATOM 0 HA GLU A 55 8.767 -15.903 7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.970 -17.708 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.101 -18.229 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.441 -18.046 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.329 -17.201 7.301 1.00 0.00 H new ATOM 411 N PHE A 56 10.133 -15.358 4.825 1.00 0.00 N ATOM 412 CA PHE A 56 11.401 -15.121 4.144 1.00 0.00 C ATOM 413 C PHE A 56 11.854 -13.670 4.305 1.00 0.00 C ATOM 414 O PHE A 56 12.945 -13.404 4.804 1.00 0.00 O ATOM 415 CB PHE A 56 11.276 -15.484 2.656 1.00 0.00 C ATOM 416 CG PHE A 56 12.198 -14.711 1.749 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.556 -14.986 1.714 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.702 -13.707 0.933 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.401 -14.275 0.884 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.543 -12.993 0.100 1.00 0.00 C ATOM 421 CZ PHE A 56 13.894 -13.277 0.076 1.00 0.00 C ATOM 0 H PHE A 56 9.309 -15.065 4.300 1.00 0.00 H new ATOM 0 HA PHE A 56 12.158 -15.758 4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.476 -16.549 2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.247 -15.315 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.959 -15.766 2.343 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.646 -13.480 0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.457 -14.500 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.143 -12.213 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.553 -12.720 -0.573 1.00 0.00 H new ATOM 431 N VAL A 57 11.014 -12.740 3.868 1.00 0.00 N ATOM 432 CA VAL A 57 11.334 -11.318 3.946 1.00 0.00 C ATOM 433 C VAL A 57 11.657 -10.869 5.372 1.00 0.00 C ATOM 434 O VAL A 57 12.220 -9.794 5.571 1.00 0.00 O ATOM 435 CB VAL A 57 10.181 -10.454 3.400 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.942 -10.593 4.273 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.607 -8.996 3.296 1.00 0.00 C ATOM 0 H VAL A 57 10.104 -12.944 3.455 1.00 0.00 H new ATOM 0 HA VAL A 57 12.222 -11.177 3.330 1.00 0.00 H new ATOM 0 HB VAL A 57 9.932 -10.809 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.141 -9.974 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.623 -11.635 4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.174 -10.269 5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.779 -8.402 2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.887 -8.628 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.460 -8.913 2.622 1.00 0.00 H new ATOM 447 N SER A 58 11.288 -11.678 6.363 1.00 0.00 N ATOM 448 CA SER A 58 11.539 -11.321 7.757 1.00 0.00 C ATOM 449 C SER A 58 12.483 -12.305 8.446 1.00 0.00 C ATOM 450 O SER A 58 13.277 -11.914 9.301 1.00 0.00 O ATOM 451 CB SER A 58 10.218 -11.253 8.525 1.00 0.00 C ATOM 452 OG SER A 58 9.720 -12.552 8.799 1.00 0.00 O ATOM 0 H SER A 58 10.820 -12.574 6.229 1.00 0.00 H new ATOM 0 HA SER A 58 12.022 -10.344 7.758 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.364 -10.712 9.460 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.484 -10.694 7.944 1.00 0.00 H new ATOM 0 HG SER A 58 8.924 -12.719 8.252 1.00 0.00 H new ATOM 458 N SER A 59 12.383 -13.582 8.093 1.00 0.00 N ATOM 459 CA SER A 59 13.222 -14.606 8.710 1.00 0.00 C ATOM 460 C SER A 59 14.417 -14.988 7.835 1.00 0.00 C ATOM 461 O SER A 59 15.308 -15.709 8.284 1.00 0.00 O ATOM 462 CB SER A 59 12.391 -15.853 9.021 1.00 0.00 C ATOM 463 OG SER A 59 11.006 -15.555 9.027 1.00 0.00 O ATOM 0 H SER A 59 11.734 -13.932 7.388 1.00 0.00 H new ATOM 0 HA SER A 59 13.615 -14.182 9.634 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.597 -16.625 8.280 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.684 -16.256 9.991 1.00 0.00 H new ATOM 0 HG SER A 59 10.552 -16.096 8.348 1.00 0.00 H new ATOM 469 N GLN A 60 14.437 -14.522 6.590 1.00 0.00 N ATOM 470 CA GLN A 60 15.534 -14.850 5.682 1.00 0.00 C ATOM 471 C GLN A 60 16.152 -13.599 5.062 1.00 0.00 C ATOM 472 O GLN A 60 17.327 -13.305 5.280 1.00 0.00 O ATOM 473 CB GLN A 60 15.039 -15.784 4.578 1.00 0.00 C ATOM 474 CG GLN A 60 14.927 -17.235 5.016 1.00 0.00 C ATOM 475 CD GLN A 60 14.624 -18.170 3.862 1.00 0.00 C ATOM 476 OE1 GLN A 60 14.832 -17.826 2.698 1.00 0.00 O ATOM 477 NE2 GLN A 60 14.131 -19.362 4.179 1.00 0.00 N ATOM 0 H GLN A 60 13.716 -13.923 6.189 1.00 0.00 H new ATOM 0 HA GLN A 60 16.307 -15.349 6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.064 -15.441 4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.718 -15.721 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.859 -17.540 5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.142 -17.324 5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.974 -19.605 5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.909 -20.034 3.444 1.00 0.00 H new ATOM 486 N ALA A 61 15.356 -12.876 4.277 1.00 0.00 N ATOM 487 CA ALA A 61 15.818 -11.662 3.605 1.00 0.00 C ATOM 488 C ALA A 61 16.715 -10.812 4.506 1.00 0.00 C ATOM 489 O ALA A 61 16.575 -10.826 5.728 1.00 0.00 O ATOM 490 CB ALA A 61 14.629 -10.843 3.128 1.00 0.00 C ATOM 0 H ALA A 61 14.381 -13.112 4.089 1.00 0.00 H new ATOM 0 HA ALA A 61 16.415 -11.971 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.985 -9.941 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.037 -11.434 2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.012 -10.565 3.983 1.00 0.00 H new ATOM 496 N PRO A 62 17.652 -10.059 3.904 1.00 0.00 N ATOM 497 CA PRO A 62 18.578 -9.198 4.648 1.00 0.00 C ATOM 498 C PRO A 62 17.895 -7.952 5.201 1.00 0.00 C ATOM 499 O PRO A 62 16.828 -7.556 4.732 1.00 0.00 O ATOM 500 CB PRO A 62 19.621 -8.815 3.599 1.00 0.00 C ATOM 501 CG PRO A 62 18.891 -8.880 2.302 1.00 0.00 C ATOM 502 CD PRO A 62 17.883 -9.988 2.447 1.00 0.00 C ATOM 0 HA PRO A 62 18.994 -9.703 5.520 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.018 -7.816 3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.467 -9.502 3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.400 -7.932 2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.576 -9.081 1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 62 16.963 -9.767 1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.264 -10.931 2.055 1.00 0.00 H new ATOM 510 N GLN A 63 18.519 -7.336 6.202 1.00 0.00 N ATOM 511 CA GLN A 63 17.976 -6.131 6.824 1.00 0.00 C ATOM 512 C GLN A 63 17.533 -5.117 5.773 1.00 0.00 C ATOM 513 O GLN A 63 16.505 -4.458 5.928 1.00 0.00 O ATOM 514 CB GLN A 63 19.016 -5.498 7.750 1.00 0.00 C ATOM 515 CG GLN A 63 18.479 -4.328 8.558 1.00 0.00 C ATOM 516 CD GLN A 63 18.539 -4.573 10.053 1.00 0.00 C ATOM 517 OE1 GLN A 63 17.575 -4.319 10.775 1.00 0.00 O ATOM 518 NE2 GLN A 63 19.676 -5.071 10.526 1.00 0.00 N ATOM 0 H GLN A 63 19.403 -7.652 6.601 1.00 0.00 H new ATOM 0 HA GLN A 63 17.103 -6.422 7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.392 -6.259 8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.863 -5.159 7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.052 -3.432 8.317 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.447 -4.134 8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 63 20.450 -5.267 9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.775 -5.258 11.524 1.00 0.00 H new ATOM 527 N SER A 64 18.312 -4.999 4.702 1.00 0.00 N ATOM 528 CA SER A 64 17.993 -4.068 3.625 1.00 0.00 C ATOM 529 C SER A 64 16.597 -4.341 3.075 1.00 0.00 C ATOM 530 O SER A 64 15.859 -3.417 2.731 1.00 0.00 O ATOM 531 CB SER A 64 19.028 -4.176 2.504 1.00 0.00 C ATOM 532 OG SER A 64 19.056 -5.484 1.960 1.00 0.00 O ATOM 0 H SER A 64 19.167 -5.536 4.557 1.00 0.00 H new ATOM 0 HA SER A 64 18.016 -3.056 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 64 18.794 -3.457 1.719 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.014 -3.918 2.889 1.00 0.00 H new ATOM 0 HG SER A 64 19.724 -5.526 1.244 1.00 0.00 H new ATOM 538 N LEU A 65 16.241 -5.620 3.002 1.00 0.00 N ATOM 539 CA LEU A 65 14.934 -6.025 2.503 1.00 0.00 C ATOM 540 C LEU A 65 13.857 -5.766 3.552 1.00 0.00 C ATOM 541 O LEU A 65 12.748 -5.338 3.229 1.00 0.00 O ATOM 542 CB LEU A 65 14.951 -7.509 2.124 1.00 0.00 C ATOM 543 CG LEU A 65 14.203 -7.864 0.837 1.00 0.00 C ATOM 544 CD1 LEU A 65 12.702 -7.730 1.037 1.00 0.00 C ATOM 545 CD2 LEU A 65 14.671 -6.985 -0.315 1.00 0.00 C ATOM 0 H LEU A 65 16.842 -6.394 3.283 1.00 0.00 H new ATOM 0 HA LEU A 65 14.705 -5.435 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.988 -7.829 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.520 -8.082 2.945 1.00 0.00 H new ATOM 0 HG LEU A 65 14.424 -8.902 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.187 -7.987 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.379 -8.404 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.462 -6.703 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.127 -7.253 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.482 -5.939 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.739 -7.133 -0.475 1.00 0.00 H new ATOM 557 N ARG A 66 14.195 -6.026 4.810 1.00 0.00 N ATOM 558 CA ARG A 66 13.263 -5.821 5.913 1.00 0.00 C ATOM 559 C ARG A 66 13.026 -4.334 6.156 1.00 0.00 C ATOM 560 O ARG A 66 11.934 -3.925 6.551 1.00 0.00 O ATOM 561 CB ARG A 66 13.799 -6.480 7.186 1.00 0.00 C ATOM 562 CG ARG A 66 14.155 -7.946 7.007 1.00 0.00 C ATOM 563 CD ARG A 66 15.132 -8.420 8.071 1.00 0.00 C ATOM 564 NE ARG A 66 15.220 -9.877 8.125 1.00 0.00 N ATOM 565 CZ ARG A 66 16.117 -10.538 8.854 1.00 0.00 C ATOM 566 NH1 ARG A 66 17.000 -9.878 9.592 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.130 -11.864 8.844 1.00 0.00 N ATOM 0 H ARG A 66 15.109 -6.380 5.092 1.00 0.00 H new ATOM 0 HA ARG A 66 12.312 -6.281 5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.683 -5.938 7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.052 -6.390 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.248 -8.549 7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.591 -8.097 6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.119 -8.005 7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.821 -8.040 9.044 1.00 0.00 H new ATOM 0 HE ARG A 66 14.556 -10.419 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.994 -8.858 9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.684 -10.390 10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.453 -12.376 8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.817 -12.372 9.402 1.00 0.00 H new ATOM 581 N ASN A 67 14.056 -3.529 5.916 1.00 0.00 N ATOM 582 CA ASN A 67 13.958 -2.087 6.108 1.00 0.00 C ATOM 583 C ASN A 67 12.897 -1.487 5.193 1.00 0.00 C ATOM 584 O ASN A 67 12.033 -0.732 5.639 1.00 0.00 O ATOM 585 CB ASN A 67 15.311 -1.424 5.844 1.00 0.00 C ATOM 586 CG ASN A 67 16.277 -1.598 6.999 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.882 -1.564 8.164 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.552 -1.787 6.681 1.00 0.00 N ATOM 0 H ASN A 67 14.967 -3.850 5.589 1.00 0.00 H new ATOM 0 HA ASN A 67 13.666 -1.902 7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.750 -1.848 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.161 -0.361 5.657 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.248 -1.911 7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.836 -1.808 5.701 1.00 0.00 H new ATOM 595 N ARG A 68 12.969 -1.825 3.909 1.00 0.00 N ATOM 596 CA ARG A 68 12.014 -1.318 2.930 1.00 0.00 C ATOM 597 C ARG A 68 10.632 -1.931 3.141 1.00 0.00 C ATOM 598 O ARG A 68 9.617 -1.334 2.784 1.00 0.00 O ATOM 599 CB ARG A 68 12.505 -1.608 1.510 1.00 0.00 C ATOM 600 CG ARG A 68 12.537 -3.090 1.166 1.00 0.00 C ATOM 601 CD ARG A 68 12.902 -3.328 -0.284 1.00 0.00 C ATOM 602 NE ARG A 68 13.914 -2.389 -0.767 1.00 0.00 N ATOM 603 CZ ARG A 68 14.100 -2.095 -2.052 1.00 0.00 C ATOM 604 NH1 ARG A 68 13.351 -2.666 -2.988 1.00 0.00 N ATOM 605 NH2 ARG A 68 15.040 -1.228 -2.403 1.00 0.00 N ATOM 0 H ARG A 68 13.679 -2.448 3.523 1.00 0.00 H new ATOM 0 HA ARG A 68 11.933 -0.240 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.859 -1.093 0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.506 -1.194 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.257 -3.596 1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.562 -3.531 1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.271 -4.347 -0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.007 -3.241 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 68 14.513 -1.932 -0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.627 -3.335 -2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.499 -2.436 -3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.620 -0.787 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.183 -1.002 -3.387 1.00 0.00 H new ATOM 619 N TYR A 69 10.601 -3.128 3.721 1.00 0.00 N ATOM 620 CA TYR A 69 9.343 -3.823 3.978 1.00 0.00 C ATOM 621 C TYR A 69 8.376 -2.936 4.759 1.00 0.00 C ATOM 622 O TYR A 69 7.237 -2.726 4.343 1.00 0.00 O ATOM 623 CB TYR A 69 9.605 -5.119 4.749 1.00 0.00 C ATOM 624 CG TYR A 69 8.347 -5.867 5.135 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.558 -5.436 6.194 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.951 -7.003 4.442 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.409 -6.116 6.551 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.804 -7.690 4.793 1.00 0.00 C ATOM 629 CZ TYR A 69 6.037 -7.242 5.848 1.00 0.00 C ATOM 630 OH TYR A 69 4.895 -7.923 6.201 1.00 0.00 O ATOM 0 H TYR A 69 11.432 -3.637 4.022 1.00 0.00 H new ATOM 0 HA TYR A 69 8.886 -4.063 3.018 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.232 -5.771 4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.169 -4.886 5.652 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.847 -4.555 6.748 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.549 -7.356 3.615 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.806 -5.767 7.376 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.510 -8.573 4.244 1.00 0.00 H new ATOM 0 HH TYR A 69 4.109 -7.384 5.973 1.00 0.00 H new ATOM 640 N ASN A 70 8.838 -2.421 5.893 1.00 0.00 N ATOM 641 CA ASN A 70 8.013 -1.559 6.732 1.00 0.00 C ATOM 642 C ASN A 70 7.969 -0.136 6.181 1.00 0.00 C ATOM 643 O ASN A 70 6.996 0.589 6.386 1.00 0.00 O ATOM 644 CB ASN A 70 8.546 -1.549 8.168 1.00 0.00 C ATOM 645 CG ASN A 70 7.604 -2.235 9.138 1.00 0.00 C ATOM 646 OD1 ASN A 70 6.530 -1.719 9.448 1.00 0.00 O ATOM 647 ND2 ASN A 70 8.003 -3.404 9.624 1.00 0.00 N ATOM 0 H ASN A 70 9.778 -2.585 6.252 1.00 0.00 H new ATOM 0 HA ASN A 70 6.999 -1.958 6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.516 -2.045 8.196 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.705 -0.519 8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.411 -3.912 10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.901 -3.795 9.340 1.00 0.00 H new ATOM 654 N ASN A 71 9.030 0.258 5.482 1.00 0.00 N ATOM 655 CA ASN A 71 9.111 1.595 4.905 1.00 0.00 C ATOM 656 C ASN A 71 8.003 1.818 3.879 1.00 0.00 C ATOM 657 O ASN A 71 7.159 2.699 4.044 1.00 0.00 O ATOM 658 CB ASN A 71 10.479 1.808 4.252 1.00 0.00 C ATOM 659 CG ASN A 71 11.069 3.166 4.579 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.966 3.281 5.414 1.00 0.00 O ATOM 661 ND2 ASN A 71 10.567 4.203 3.919 1.00 0.00 N ATOM 0 H ASN A 71 9.844 -0.329 5.302 1.00 0.00 H new ATOM 0 HA ASN A 71 8.982 2.318 5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.163 1.028 4.585 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.382 1.707 3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.925 5.142 4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.824 4.061 3.235 1.00 0.00 H new ATOM 668 N LEU A 72 8.014 1.017 2.817 1.00 0.00 N ATOM 669 CA LEU A 72 7.011 1.133 1.763 1.00 0.00 C ATOM 670 C LEU A 72 5.600 1.002 2.331 1.00 0.00 C ATOM 671 O LEU A 72 4.695 1.743 1.946 1.00 0.00 O ATOM 672 CB LEU A 72 7.243 0.070 0.685 1.00 0.00 C ATOM 673 CG LEU A 72 7.096 -1.379 1.155 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.636 -1.808 1.125 1.00 0.00 C ATOM 675 CD2 LEU A 72 7.943 -2.305 0.294 1.00 0.00 C ATOM 0 H LEU A 72 8.705 0.282 2.664 1.00 0.00 H new ATOM 0 HA LEU A 72 7.109 2.121 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.541 0.243 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.245 0.203 0.277 1.00 0.00 H new ATOM 0 HG LEU A 72 7.450 -1.444 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.553 -2.841 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.054 -1.163 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.254 -1.727 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.827 -3.332 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.619 -2.234 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.991 -2.013 0.367 1.00 0.00 H new ATOM 687 N TYR A 73 5.418 0.056 3.247 1.00 0.00 N ATOM 688 CA TYR A 73 4.114 -0.163 3.860 1.00 0.00 C ATOM 689 C TYR A 73 3.736 1.001 4.769 1.00 0.00 C ATOM 690 O TYR A 73 2.555 1.301 4.948 1.00 0.00 O ATOM 691 CB TYR A 73 4.105 -1.471 4.654 1.00 0.00 C ATOM 692 CG TYR A 73 2.716 -1.928 5.046 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.641 -1.773 4.179 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.480 -2.512 6.284 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.372 -2.185 4.534 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.213 -2.928 6.647 1.00 0.00 C ATOM 697 CZ TYR A 73 0.163 -2.762 5.768 1.00 0.00 C ATOM 698 OH TYR A 73 -1.101 -3.175 6.125 1.00 0.00 O ATOM 0 H TYR A 73 6.153 -0.568 3.579 1.00 0.00 H new ATOM 0 HA TYR A 73 3.376 -0.231 3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.582 -2.251 4.060 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.705 -1.344 5.555 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.801 -1.322 3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.300 -2.643 6.974 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.452 -2.056 3.848 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.046 -3.380 7.613 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.406 -2.662 6.902 1.00 0.00 H new ATOM 708 N SER A 74 4.742 1.659 5.337 1.00 0.00 N ATOM 709 CA SER A 74 4.508 2.795 6.222 1.00 0.00 C ATOM 710 C SER A 74 3.658 3.851 5.524 1.00 0.00 C ATOM 711 O SER A 74 2.723 4.399 6.109 1.00 0.00 O ATOM 712 CB SER A 74 5.837 3.405 6.670 1.00 0.00 C ATOM 713 OG SER A 74 5.632 4.440 7.616 1.00 0.00 O ATOM 0 H SER A 74 5.726 1.426 5.201 1.00 0.00 H new ATOM 0 HA SER A 74 3.970 2.439 7.101 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.468 2.630 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.369 3.800 5.805 1.00 0.00 H new ATOM 0 HG SER A 74 6.497 4.812 7.887 1.00 0.00 H new ATOM 719 N HIS A 75 3.987 4.126 4.267 1.00 0.00 N ATOM 720 CA HIS A 75 3.253 5.109 3.481 1.00 0.00 C ATOM 721 C HIS A 75 1.884 4.564 3.082 1.00 0.00 C ATOM 722 O HIS A 75 0.938 5.324 2.874 1.00 0.00 O ATOM 723 CB HIS A 75 4.050 5.494 2.232 1.00 0.00 C ATOM 724 CG HIS A 75 4.455 6.935 2.202 1.00 0.00 C ATOM 725 ND1 HIS A 75 5.654 7.524 2.425 1.00 0.00 N flip ATOM 726 CD2 HIS A 75 3.576 7.958 1.914 1.00 0.00 C flip ATOM 727 CE1 HIS A 75 5.478 8.877 2.269 1.00 0.00 C flip ATOM 728 NE2 HIS A 75 4.217 9.113 1.961 1.00 0.00 N flip ATOM 0 H HIS A 75 4.759 3.681 3.770 1.00 0.00 H new ATOM 0 HA HIS A 75 3.108 5.998 4.094 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.944 4.873 2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.452 5.274 1.347 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.528 7.835 1.686 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.247 9.627 2.380 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.807 10.031 1.788 1.00 0.00 H new ATOM 737 N THR A 76 1.786 3.242 2.975 1.00 0.00 N ATOM 738 CA THR A 76 0.534 2.596 2.600 1.00 0.00 C ATOM 739 C THR A 76 -0.487 2.676 3.731 1.00 0.00 C ATOM 740 O THR A 76 -1.684 2.826 3.491 1.00 0.00 O ATOM 741 CB THR A 76 0.779 1.131 2.237 1.00 0.00 C ATOM 742 OG1 THR A 76 1.738 1.024 1.200 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.473 0.413 1.784 1.00 0.00 C ATOM 0 H THR A 76 2.559 2.598 3.143 1.00 0.00 H new ATOM 0 HA THR A 76 0.135 3.123 1.733 1.00 0.00 H new ATOM 0 HB THR A 76 1.137 0.661 3.153 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.621 1.273 1.544 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.231 -0.622 1.541 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.214 0.435 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.877 0.908 0.901 1.00 0.00 H new ATOM 751 N GLN A 77 -0.007 2.562 4.964 1.00 0.00 N ATOM 752 CA GLN A 77 -0.881 2.609 6.130 1.00 0.00 C ATOM 753 C GLN A 77 -1.364 4.030 6.412 1.00 0.00 C ATOM 754 O GLN A 77 -2.407 4.225 7.036 1.00 0.00 O ATOM 755 CB GLN A 77 -0.155 2.054 7.356 1.00 0.00 C ATOM 756 CG GLN A 77 0.322 0.620 7.184 1.00 0.00 C ATOM 757 CD GLN A 77 -0.102 -0.278 8.329 1.00 0.00 C ATOM 758 OE1 GLN A 77 -0.845 -1.241 8.136 1.00 0.00 O ATOM 759 NE2 GLN A 77 0.370 0.033 9.530 1.00 0.00 N ATOM 0 H GLN A 77 0.982 2.437 5.182 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.754 1.993 5.915 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.703 2.689 7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.822 2.106 8.217 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.071 0.220 6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.409 0.610 7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.983 0.840 9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.120 -0.535 10.339 1.00 0.00 H new ATOM 768 N ARG A 78 -0.600 5.020 5.961 1.00 0.00 N ATOM 769 CA ARG A 78 -0.959 6.418 6.183 1.00 0.00 C ATOM 770 C ARG A 78 -1.659 7.018 4.965 1.00 0.00 C ATOM 771 O ARG A 78 -2.436 7.965 5.092 1.00 0.00 O ATOM 772 CB ARG A 78 0.287 7.238 6.526 1.00 0.00 C ATOM 773 CG ARG A 78 1.246 7.414 5.356 1.00 0.00 C ATOM 774 CD ARG A 78 1.299 8.859 4.882 1.00 0.00 C ATOM 775 NE ARG A 78 2.637 9.430 5.016 1.00 0.00 N ATOM 776 CZ ARG A 78 3.140 9.878 6.164 1.00 0.00 C ATOM 777 NH1 ARG A 78 2.421 9.822 7.278 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.365 10.384 6.198 1.00 0.00 N ATOM 0 H ARG A 78 0.267 4.882 5.442 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.655 6.451 7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.022 8.221 6.882 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.815 6.754 7.347 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.244 7.092 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.935 6.772 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.986 8.910 3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.591 9.456 5.457 1.00 0.00 H new ATOM 0 HE ARG A 78 3.220 9.489 4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.478 9.434 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.812 10.167 8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.922 10.430 5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.751 10.727 7.078 1.00 0.00 H new ATOM 792 N THR A 79 -1.378 6.472 3.786 1.00 0.00 N ATOM 793 CA THR A 79 -1.984 6.972 2.555 1.00 0.00 C ATOM 794 C THR A 79 -3.463 6.601 2.474 1.00 0.00 C ATOM 795 O THR A 79 -4.307 7.450 2.186 1.00 0.00 O ATOM 796 CB THR A 79 -1.239 6.434 1.332 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.689 7.076 0.153 1.00 0.00 O ATOM 798 CG2 THR A 79 -1.404 4.944 1.133 1.00 0.00 C ATOM 0 H THR A 79 -0.739 5.688 3.656 1.00 0.00 H new ATOM 0 HA THR A 79 -1.907 8.059 2.566 1.00 0.00 H new ATOM 0 HB THR A 79 -0.186 6.642 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.555 6.702 -0.113 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.849 4.631 0.248 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.022 4.416 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.460 4.709 1.001 1.00 0.00 H new ATOM 806 N LEU A 80 -3.775 5.332 2.727 1.00 0.00 N ATOM 807 CA LEU A 80 -5.158 4.867 2.677 1.00 0.00 C ATOM 808 C LEU A 80 -6.036 5.679 3.625 1.00 0.00 C ATOM 809 O LEU A 80 -7.191 5.973 3.319 1.00 0.00 O ATOM 810 CB LEU A 80 -5.246 3.384 3.039 1.00 0.00 C ATOM 811 CG LEU A 80 -4.353 2.448 2.220 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.889 1.276 3.071 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.095 1.955 0.994 1.00 0.00 C ATOM 0 H LEU A 80 -3.094 4.612 2.967 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.517 5.003 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.991 3.270 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.281 3.061 2.925 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.474 3.003 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.255 0.621 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.323 1.648 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.756 0.718 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.449 1.290 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.989 1.414 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.381 2.806 0.375 1.00 0.00 H new ATOM 825 N ASP A 81 -5.478 6.039 4.777 1.00 0.00 N ATOM 826 CA ASP A 81 -6.208 6.819 5.771 1.00 0.00 C ATOM 827 C ASP A 81 -6.734 8.115 5.162 1.00 0.00 C ATOM 828 O ASP A 81 -7.901 8.465 5.332 1.00 0.00 O ATOM 829 CB ASP A 81 -5.307 7.132 6.967 1.00 0.00 C ATOM 830 CG ASP A 81 -6.052 7.059 8.286 1.00 0.00 C ATOM 831 OD1 ASP A 81 -7.160 7.628 8.375 1.00 0.00 O ATOM 832 OD2 ASP A 81 -5.526 6.433 9.231 1.00 0.00 O ATOM 0 H ASP A 81 -4.523 5.803 5.045 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.057 6.226 6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.473 6.430 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.882 8.129 6.847 1.00 0.00 H new ATOM 837 N MET A 82 -5.863 8.820 4.447 1.00 0.00 N ATOM 838 CA MET A 82 -6.239 10.074 3.805 1.00 0.00 C ATOM 839 C MET A 82 -7.285 9.836 2.720 1.00 0.00 C ATOM 840 O MET A 82 -8.044 10.738 2.367 1.00 0.00 O ATOM 841 CB MET A 82 -5.006 10.751 3.203 1.00 0.00 C ATOM 842 CG MET A 82 -4.051 11.314 4.243 1.00 0.00 C ATOM 843 SD MET A 82 -2.694 12.246 3.508 1.00 0.00 S ATOM 844 CE MET A 82 -1.770 10.933 2.715 1.00 0.00 C ATOM 0 H MET A 82 -4.892 8.544 4.298 1.00 0.00 H new ATOM 0 HA MET A 82 -6.670 10.728 4.563 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.472 10.030 2.584 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.330 11.557 2.545 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.603 11.961 4.925 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.645 10.496 4.838 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.835 11.332 2.322 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.554 10.150 3.442 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.358 10.516 1.897 1.00 0.00 H new ATOM 854 N ALA A 83 -7.318 8.614 2.192 1.00 0.00 N ATOM 855 CA ALA A 83 -8.269 8.258 1.147 1.00 0.00 C ATOM 856 C ALA A 83 -9.669 8.059 1.717 1.00 0.00 C ATOM 857 O ALA A 83 -10.658 8.473 1.112 1.00 0.00 O ATOM 858 CB ALA A 83 -7.808 7.002 0.421 1.00 0.00 C ATOM 0 H ALA A 83 -6.696 7.856 2.472 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.312 9.082 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.527 6.747 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.832 7.180 -0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.734 6.178 1.131 1.00 0.00 H new ATOM 864 N ASP A 84 -9.748 7.424 2.883 1.00 0.00 N ATOM 865 CA ASP A 84 -11.030 7.170 3.534 1.00 0.00 C ATOM 866 C ASP A 84 -11.397 8.301 4.491 1.00 0.00 C ATOM 867 O ASP A 84 -11.899 8.061 5.589 1.00 0.00 O ATOM 868 CB ASP A 84 -10.984 5.841 4.292 1.00 0.00 C ATOM 869 CG ASP A 84 -12.352 5.405 4.779 1.00 0.00 C ATOM 870 OD1 ASP A 84 -13.248 5.206 3.932 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.527 5.263 6.008 1.00 0.00 O ATOM 0 H ASP A 84 -8.939 7.076 3.397 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.795 7.117 2.759 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.570 5.070 3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.311 5.935 5.144 1.00 0.00 H new ATOM 876 N MET A 85 -11.143 9.535 4.069 1.00 0.00 N ATOM 877 CA MET A 85 -11.447 10.702 4.891 1.00 0.00 C ATOM 878 C MET A 85 -12.224 11.753 4.101 1.00 0.00 C ATOM 879 O MET A 85 -13.148 12.378 4.622 1.00 0.00 O ATOM 880 CB MET A 85 -10.155 11.314 5.438 1.00 0.00 C ATOM 881 CG MET A 85 -10.385 12.329 6.546 1.00 0.00 C ATOM 882 SD MET A 85 -10.973 11.570 8.072 1.00 0.00 S ATOM 883 CE MET A 85 -9.501 11.665 9.087 1.00 0.00 C ATOM 0 H MET A 85 -10.728 9.753 3.163 1.00 0.00 H new ATOM 0 HA MET A 85 -12.071 10.371 5.721 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.516 10.516 5.815 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.617 11.795 4.622 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.455 12.861 6.745 1.00 0.00 H new ATOM 0 HG3 MET A 85 -11.111 13.070 6.210 1.00 0.00 H new ATOM 0 HE1 MET A 85 -9.706 11.233 10.067 1.00 0.00 H new ATOM 0 HE2 MET A 85 -8.693 11.112 8.609 1.00 0.00 H new ATOM 0 HE3 MET A 85 -9.207 12.708 9.205 1.00 0.00 H new ATOM 893 N GLN A 86 -11.834 11.950 2.845 1.00 0.00 N ATOM 894 CA GLN A 86 -12.482 12.934 1.981 1.00 0.00 C ATOM 895 C GLN A 86 -13.999 12.756 1.951 1.00 0.00 C ATOM 896 O GLN A 86 -14.733 13.701 1.664 1.00 0.00 O ATOM 897 CB GLN A 86 -11.921 12.839 0.561 1.00 0.00 C ATOM 898 CG GLN A 86 -12.529 13.846 -0.403 1.00 0.00 C ATOM 899 CD GLN A 86 -13.577 13.228 -1.306 1.00 0.00 C ATOM 900 OE1 GLN A 86 -13.142 12.711 -2.450 1.00 0.00 O flip ATOM 901 NE2 GLN A 86 -14.764 13.213 -0.980 1.00 0.00 N flip ATOM 0 H GLN A 86 -11.070 11.440 2.401 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.270 13.920 2.394 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.842 12.987 0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.093 11.833 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.978 14.661 0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.739 14.281 -1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -15.054 13.622 -0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -15.457 12.792 -1.598 1.00 0.00 H new ATOM 910 N HIS A 87 -14.467 11.546 2.242 1.00 0.00 N ATOM 911 CA HIS A 87 -15.895 11.269 2.238 1.00 0.00 C ATOM 912 C HIS A 87 -16.603 12.118 3.288 1.00 0.00 C ATOM 913 O HIS A 87 -16.075 13.138 3.731 1.00 0.00 O ATOM 914 CB HIS A 87 -16.146 9.780 2.497 1.00 0.00 C ATOM 915 CG HIS A 87 -15.300 8.873 1.658 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.991 8.566 1.965 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.583 8.203 0.515 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.506 7.749 1.047 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.452 7.512 0.159 1.00 0.00 N ATOM 0 H HIS A 87 -13.880 10.747 2.482 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.298 11.525 1.258 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.959 9.567 3.549 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.197 9.559 2.309 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.523 8.211 -0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.505 7.344 1.027 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.358 6.912 -0.660 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.414 17.448 -0.300 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.071 17.188 -1.575 1.00 0.00 C ATOM 1112 C LEU A 101 -6.510 15.727 -1.676 1.00 0.00 C ATOM 1113 O LEU A 101 -5.732 14.818 -1.390 1.00 0.00 O ATOM 1114 CB LEU A 101 -5.140 17.533 -2.738 1.00 0.00 C ATOM 1115 CG LEU A 101 -4.356 18.836 -2.576 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -2.978 18.714 -3.207 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -5.124 19.998 -3.189 1.00 0.00 C ATOM 0 HA LEU A 101 -6.957 17.821 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.432 16.715 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.732 17.594 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.228 19.030 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.436 19.651 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.426 17.908 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.083 18.495 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.552 20.918 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.283 19.810 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.088 20.100 -2.691 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.770 15.482 -2.082 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.310 14.122 -2.213 1.00 0.00 C ATOM 1131 C PRO A 102 -7.484 13.249 -3.154 1.00 0.00 C ATOM 1132 O PRO A 102 -7.575 12.022 -3.114 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.713 14.342 -2.788 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.062 15.744 -2.429 1.00 0.00 C ATOM 1135 CD PRO A 102 -8.768 16.507 -2.438 1.00 0.00 C ATOM 0 HA PRO A 102 -8.303 13.596 -1.258 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.724 14.197 -3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.428 13.637 -2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.769 16.166 -3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.535 15.790 -1.448 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.565 16.944 -3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.778 17.326 -1.719 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.681 13.885 -4.002 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.847 13.157 -4.951 1.00 0.00 C ATOM 1145 C HIS A 103 -4.518 12.749 -4.318 1.00 0.00 C ATOM 1146 O HIS A 103 -3.869 11.807 -4.773 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.597 14.009 -6.198 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.734 15.207 -5.945 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.454 15.302 -5.512 1.00 0.00 N flip ATOM 1150 CD2 HIS A 103 -5.168 16.502 -6.134 1.00 0.00 C flip ATOM 1151 CE1 HIS A 103 -3.144 16.638 -5.449 1.00 0.00 C flip ATOM 1152 NE2 HIS A 103 -4.194 17.341 -5.830 1.00 0.00 N flip ATOM 0 H HIS A 103 -6.591 14.900 -4.051 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.378 12.250 -5.239 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.128 13.389 -6.963 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.555 14.340 -6.599 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.152 16.786 -6.477 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.194 17.048 -5.138 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -4.245 18.358 -5.881 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.117 13.461 -3.267 1.00 0.00 N ATOM 1162 CA GLU A 104 -2.865 13.167 -2.576 1.00 0.00 C ATOM 1163 C GLU A 104 -2.801 11.700 -2.163 1.00 0.00 C ATOM 1164 O GLU A 104 -1.845 10.995 -2.486 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.717 14.061 -1.344 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.579 15.538 -1.677 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.207 16.089 -1.336 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.209 15.574 -1.882 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -1.132 17.034 -0.523 1.00 0.00 O ATOM 0 H GLU A 104 -4.640 14.244 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.044 13.368 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.584 13.922 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.843 13.742 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.772 15.686 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.338 16.101 -1.134 1.00 0.00 H new ATOM 1176 N ASN A 105 -3.827 11.247 -1.450 1.00 0.00 N ATOM 1177 CA ASN A 105 -3.890 9.864 -0.994 1.00 0.00 C ATOM 1178 C ASN A 105 -3.886 8.904 -2.180 1.00 0.00 C ATOM 1179 O ASN A 105 -3.364 7.793 -2.091 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.144 9.641 -0.148 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.416 9.975 -0.901 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -6.970 9.135 -1.611 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -6.887 11.207 -0.750 1.00 0.00 N ATOM 0 H ASN A 105 -4.626 11.818 -1.176 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.009 9.666 -0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.180 8.601 0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.086 10.254 0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.740 11.489 -1.232 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.396 11.871 -0.152 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.472 9.344 -3.288 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.539 8.529 -4.495 1.00 0.00 C ATOM 1192 C VAL A 106 -3.149 8.296 -5.078 1.00 0.00 C ATOM 1193 O VAL A 106 -2.687 7.159 -5.171 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.429 9.186 -5.566 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -5.590 8.270 -6.770 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -6.786 9.554 -4.984 1.00 0.00 C ATOM 0 H VAL A 106 -4.908 10.262 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.975 7.572 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 106 -4.941 10.102 -5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -6.222 8.755 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.612 8.064 -7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.051 7.334 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.400 10.017 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.281 8.655 -4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.651 10.255 -4.160 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.487 9.381 -5.472 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.149 9.293 -6.047 1.00 0.00 C ATOM 1208 C ASP A 107 -0.204 8.545 -5.113 1.00 0.00 C ATOM 1209 O ASP A 107 0.677 7.810 -5.560 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.599 10.691 -6.334 1.00 0.00 C ATOM 1211 CG ASP A 107 0.608 10.661 -7.251 1.00 0.00 C ATOM 1212 OD1 ASP A 107 1.693 10.247 -6.791 1.00 0.00 O ATOM 1213 OD2 ASP A 107 0.468 11.050 -8.430 1.00 0.00 O ATOM 0 H ASP A 107 -2.855 10.330 -5.403 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.220 8.740 -6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.381 11.300 -6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.326 11.171 -5.394 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.399 8.733 -3.812 1.00 0.00 N ATOM 1219 CA ASP A 108 0.431 8.072 -2.814 1.00 0.00 C ATOM 1220 C ASP A 108 0.070 6.596 -2.706 1.00 0.00 C ATOM 1221 O ASP A 108 0.937 5.748 -2.491 1.00 0.00 O ATOM 1222 CB ASP A 108 0.269 8.751 -1.453 1.00 0.00 C ATOM 1223 CG ASP A 108 1.199 9.936 -1.284 1.00 0.00 C ATOM 1224 OD1 ASP A 108 0.890 11.017 -1.829 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.238 9.784 -0.607 1.00 0.00 O ATOM 0 H ASP A 108 -1.124 9.337 -3.425 1.00 0.00 H new ATOM 0 HA ASP A 108 1.472 8.153 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.763 9.083 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.462 8.025 -0.663 1.00 0.00 H new ATOM 1230 N MET A 109 -1.216 6.294 -2.860 1.00 0.00 N ATOM 1231 CA MET A 109 -1.690 4.917 -2.784 1.00 0.00 C ATOM 1232 C MET A 109 -1.021 4.062 -3.854 1.00 0.00 C ATOM 1233 O MET A 109 -0.482 2.994 -3.564 1.00 0.00 O ATOM 1234 CB MET A 109 -3.212 4.867 -2.945 1.00 0.00 C ATOM 1235 CG MET A 109 -3.938 4.370 -1.705 1.00 0.00 C ATOM 1236 SD MET A 109 -4.988 5.631 -0.957 1.00 0.00 S ATOM 1237 CE MET A 109 -6.495 5.416 -1.900 1.00 0.00 C ATOM 0 H MET A 109 -1.947 6.983 -3.038 1.00 0.00 H new ATOM 0 HA MET A 109 -1.428 4.517 -1.804 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.576 5.864 -3.194 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.459 4.218 -3.785 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.548 3.506 -1.969 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.206 4.032 -0.972 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.715 6.332 -2.448 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.369 4.594 -2.604 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.319 5.191 -1.223 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.052 4.548 -5.090 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.442 3.836 -6.207 1.00 0.00 C ATOM 1249 C ARG A 110 1.049 3.633 -5.960 1.00 0.00 C ATOM 1250 O ARG A 110 1.635 2.647 -6.408 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.652 4.606 -7.513 1.00 0.00 C ATOM 1252 CG ARG A 110 -2.038 5.216 -7.647 1.00 0.00 C ATOM 1253 CD ARG A 110 -2.566 5.107 -9.069 1.00 0.00 C ATOM 1254 NE ARG A 110 -1.562 5.493 -10.060 1.00 0.00 N ATOM 1255 CZ ARG A 110 -0.809 4.629 -10.740 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -0.928 3.322 -10.536 1.00 0.00 N ATOM 1257 NH2 ARG A 110 0.070 5.075 -11.627 1.00 0.00 N ATOM 0 H ARG A 110 -1.493 5.432 -5.344 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.922 2.861 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.092 5.399 -7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.478 3.933 -8.353 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.724 4.714 -6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.004 6.264 -7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.887 4.083 -9.259 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.445 5.742 -9.178 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.430 6.488 -10.242 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.600 2.971 -9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.347 2.669 -11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.169 6.077 -11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.647 4.416 -12.149 1.00 0.00 H new ATOM 1271 N SER A 111 1.654 4.572 -5.241 1.00 0.00 N ATOM 1272 CA SER A 111 3.075 4.497 -4.928 1.00 0.00 C ATOM 1273 C SER A 111 3.384 3.234 -4.132 1.00 0.00 C ATOM 1274 O SER A 111 4.446 2.632 -4.289 1.00 0.00 O ATOM 1275 CB SER A 111 3.514 5.734 -4.141 1.00 0.00 C ATOM 1276 OG SER A 111 4.718 6.270 -4.661 1.00 0.00 O ATOM 0 H SER A 111 1.182 5.394 -4.864 1.00 0.00 H new ATOM 0 HA SER A 111 3.629 4.461 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.730 6.490 -4.179 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.653 5.471 -3.092 1.00 0.00 H new ATOM 0 HG SER A 111 4.975 7.060 -4.142 1.00 0.00 H new ATOM 1282 N ALA A 112 2.445 2.837 -3.279 1.00 0.00 N ATOM 1283 CA ALA A 112 2.613 1.643 -2.462 1.00 0.00 C ATOM 1284 C ALA A 112 2.696 0.397 -3.335 1.00 0.00 C ATOM 1285 O ALA A 112 3.591 -0.432 -3.166 1.00 0.00 O ATOM 1286 CB ALA A 112 1.470 1.519 -1.464 1.00 0.00 C ATOM 0 H ALA A 112 1.561 3.325 -3.136 1.00 0.00 H new ATOM 0 HA ALA A 112 3.549 1.735 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.609 0.622 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.457 2.395 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.524 1.452 -2.001 1.00 0.00 H new ATOM 1292 N ILE A 113 1.762 0.272 -4.273 1.00 0.00 N ATOM 1293 CA ILE A 113 1.738 -0.873 -5.173 1.00 0.00 C ATOM 1294 C ILE A 113 3.024 -0.941 -5.995 1.00 0.00 C ATOM 1295 O ILE A 113 3.461 -2.018 -6.394 1.00 0.00 O ATOM 1296 CB ILE A 113 0.507 -0.832 -6.112 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.090 -2.232 -6.263 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.866 -0.257 -7.478 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.202 -2.524 -5.279 1.00 0.00 C ATOM 0 H ILE A 113 1.014 0.948 -4.428 1.00 0.00 H new ATOM 0 HA ILE A 113 1.664 -1.770 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.237 -0.175 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.473 -2.347 -7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.701 -2.971 -6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.021 -0.243 -8.111 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.242 0.759 -7.358 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.634 -0.875 -7.943 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.578 -3.534 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.819 -2.441 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.011 -1.808 -5.421 1.00 0.00 H new ATOM 1311 N THR A 114 3.627 0.220 -6.238 1.00 0.00 N ATOM 1312 CA THR A 114 4.866 0.288 -7.004 1.00 0.00 C ATOM 1313 C THR A 114 5.960 -0.518 -6.315 1.00 0.00 C ATOM 1314 O THR A 114 6.722 -1.235 -6.964 1.00 0.00 O ATOM 1315 CB THR A 114 5.311 1.742 -7.169 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.281 2.518 -7.756 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.548 1.895 -8.028 1.00 0.00 C ATOM 0 H THR A 114 3.278 1.123 -5.916 1.00 0.00 H new ATOM 0 HA THR A 114 4.685 -0.138 -7.991 1.00 0.00 H new ATOM 0 HB THR A 114 5.542 2.090 -6.162 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.531 2.594 -7.130 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.810 2.950 -8.104 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.375 1.348 -7.576 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.351 1.497 -9.023 1.00 0.00 H new ATOM 1325 N ASP A 115 6.021 -0.403 -4.992 1.00 0.00 N ATOM 1326 CA ASP A 115 7.010 -1.128 -4.206 1.00 0.00 C ATOM 1327 C ASP A 115 6.500 -2.526 -3.874 1.00 0.00 C ATOM 1328 O ASP A 115 7.246 -3.503 -3.937 1.00 0.00 O ATOM 1329 CB ASP A 115 7.330 -0.368 -2.919 1.00 0.00 C ATOM 1330 CG ASP A 115 8.792 -0.480 -2.530 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.308 -1.616 -2.485 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.419 0.569 -2.272 1.00 0.00 O ATOM 0 H ASP A 115 5.396 0.186 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 115 7.922 -1.217 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.070 0.683 -3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.711 -0.753 -2.109 1.00 0.00 H new ATOM 1337 N TRP A 116 5.218 -2.612 -3.528 1.00 0.00 N ATOM 1338 CA TRP A 116 4.600 -3.889 -3.195 1.00 0.00 C ATOM 1339 C TRP A 116 4.635 -4.826 -4.397 1.00 0.00 C ATOM 1340 O TRP A 116 5.064 -5.974 -4.290 1.00 0.00 O ATOM 1341 CB TRP A 116 3.157 -3.677 -2.736 1.00 0.00 C ATOM 1342 CG TRP A 116 3.037 -3.414 -1.267 1.00 0.00 C ATOM 1343 CD1 TRP A 116 2.999 -2.196 -0.652 1.00 0.00 C ATOM 1344 CD2 TRP A 116 2.941 -4.393 -0.227 1.00 0.00 C ATOM 1345 NE1 TRP A 116 2.886 -2.358 0.708 1.00 0.00 N ATOM 1346 CE2 TRP A 116 2.849 -3.697 0.993 1.00 0.00 C ATOM 1347 CE3 TRP A 116 2.925 -5.790 -0.209 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 2.741 -4.353 2.217 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 2.818 -6.439 1.006 1.00 0.00 C ATOM 1350 CH2 TRP A 116 2.727 -5.721 2.205 1.00 0.00 C ATOM 0 H TRP A 116 4.588 -1.812 -3.471 1.00 0.00 H new ATOM 0 HA TRP A 116 5.164 -4.344 -2.381 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.728 -2.839 -3.285 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.569 -4.559 -2.990 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.050 -1.244 -1.160 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.838 -1.604 1.393 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.995 -6.352 -1.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.671 -3.801 3.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.804 -7.519 1.032 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.644 -6.258 3.138 1.00 0.00 H new ATOM 1361 N SER A 117 4.189 -4.322 -5.544 1.00 0.00 N ATOM 1362 CA SER A 117 4.178 -5.109 -6.771 1.00 0.00 C ATOM 1363 C SER A 117 5.585 -5.592 -7.105 1.00 0.00 C ATOM 1364 O SER A 117 5.797 -6.768 -7.407 1.00 0.00 O ATOM 1365 CB SER A 117 3.622 -4.280 -7.931 1.00 0.00 C ATOM 1366 OG SER A 117 3.674 -5.004 -9.147 1.00 0.00 O ATOM 0 H SER A 117 3.831 -3.373 -5.648 1.00 0.00 H new ATOM 0 HA SER A 117 3.535 -5.976 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.592 -3.996 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.194 -3.357 -8.029 1.00 0.00 H new ATOM 0 HG SER A 117 3.312 -4.453 -9.872 1.00 0.00 H new ATOM 1372 N ASP A 118 6.546 -4.675 -7.037 1.00 0.00 N ATOM 1373 CA ASP A 118 7.937 -5.001 -7.320 1.00 0.00 C ATOM 1374 C ASP A 118 8.439 -6.076 -6.364 1.00 0.00 C ATOM 1375 O ASP A 118 9.268 -6.910 -6.728 1.00 0.00 O ATOM 1376 CB ASP A 118 8.810 -3.750 -7.202 1.00 0.00 C ATOM 1377 CG ASP A 118 10.249 -4.008 -7.603 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.467 -4.620 -8.670 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.157 -3.598 -6.850 1.00 0.00 O ATOM 0 H ASP A 118 6.385 -3.699 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 118 7.999 -5.382 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.397 -2.961 -7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.782 -3.386 -6.175 1.00 0.00 H new ATOM 1384 N MET A 119 7.924 -6.051 -5.138 1.00 0.00 N ATOM 1385 CA MET A 119 8.313 -7.023 -4.126 1.00 0.00 C ATOM 1386 C MET A 119 7.787 -8.409 -4.481 1.00 0.00 C ATOM 1387 O MET A 119 8.480 -9.409 -4.308 1.00 0.00 O ATOM 1388 CB MET A 119 7.786 -6.601 -2.753 1.00 0.00 C ATOM 1389 CG MET A 119 8.478 -7.302 -1.595 1.00 0.00 C ATOM 1390 SD MET A 119 8.101 -6.548 -0.002 1.00 0.00 S ATOM 1391 CE MET A 119 9.748 -6.156 0.584 1.00 0.00 C ATOM 0 H MET A 119 7.236 -5.367 -4.823 1.00 0.00 H new ATOM 0 HA MET A 119 9.402 -7.062 -4.091 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.909 -5.524 -2.641 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.717 -6.806 -2.705 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.177 -8.349 -1.577 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.556 -7.283 -1.756 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.085 -6.934 1.269 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.431 -6.097 -0.263 1.00 0.00 H new ATOM 0 HE3 MET A 119 9.731 -5.198 1.104 1.00 0.00 H new ATOM 1401 N ARG A 120 6.558 -8.462 -4.984 1.00 0.00 N ATOM 1402 CA ARG A 120 5.944 -9.730 -5.366 1.00 0.00 C ATOM 1403 C ARG A 120 6.865 -10.524 -6.288 1.00 0.00 C ATOM 1404 O ARG A 120 6.997 -11.740 -6.155 1.00 0.00 O ATOM 1405 CB ARG A 120 4.601 -9.482 -6.056 1.00 0.00 C ATOM 1406 CG ARG A 120 3.565 -8.831 -5.155 1.00 0.00 C ATOM 1407 CD ARG A 120 2.158 -9.015 -5.699 1.00 0.00 C ATOM 1408 NE ARG A 120 1.140 -8.609 -4.732 1.00 0.00 N ATOM 1409 CZ ARG A 120 -0.147 -8.451 -5.033 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.577 -8.663 -6.271 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -1.006 -8.079 -4.094 1.00 0.00 N ATOM 0 H ARG A 120 5.968 -7.644 -5.137 1.00 0.00 H new ATOM 0 HA ARG A 120 5.777 -10.313 -4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.762 -8.848 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.208 -10.431 -6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.629 -9.261 -4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.782 -7.767 -5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.043 -8.432 -6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.007 -10.061 -5.967 1.00 0.00 H new ATOM 0 HE ARG A 120 1.433 -8.437 -3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.080 -8.948 -6.997 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.564 -8.540 -6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.681 -7.914 -3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.992 -7.958 -4.324 1.00 0.00 H new ATOM 1425 N GLU A 121 7.502 -9.824 -7.222 1.00 0.00 N ATOM 1426 CA GLU A 121 8.414 -10.461 -8.166 1.00 0.00 C ATOM 1427 C GLU A 121 9.798 -10.647 -7.549 1.00 0.00 C ATOM 1428 O GLU A 121 10.412 -11.705 -7.687 1.00 0.00 O ATOM 1429 CB GLU A 121 8.521 -9.627 -9.443 1.00 0.00 C ATOM 1430 CG GLU A 121 7.383 -9.865 -10.423 1.00 0.00 C ATOM 1431 CD GLU A 121 7.835 -10.583 -11.680 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.555 -9.963 -12.491 1.00 0.00 O ATOM 1433 OE2 GLU A 121 7.469 -11.764 -11.854 1.00 0.00 O ATOM 0 H GLU A 121 7.403 -8.816 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 121 8.012 -11.444 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.544 -8.570 -9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.467 -9.852 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.605 -10.451 -9.934 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.938 -8.908 -10.696 1.00 0.00 H new ATOM 1440 N ALA A 122 10.284 -9.611 -6.872 1.00 0.00 N ATOM 1441 CA ALA A 122 11.596 -9.660 -6.238 1.00 0.00 C ATOM 1442 C ALA A 122 11.629 -10.689 -5.113 1.00 0.00 C ATOM 1443 O ALA A 122 12.424 -11.629 -5.140 1.00 0.00 O ATOM 1444 CB ALA A 122 11.976 -8.286 -5.707 1.00 0.00 C ATOM 0 H ALA A 122 9.789 -8.728 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 122 12.323 -9.963 -6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.958 -8.337 -5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.005 -7.573 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.238 -7.963 -4.973 1.00 0.00 H new ATOM 1450 N LEU A 123 10.760 -10.505 -4.124 1.00 0.00 N ATOM 1451 CA LEU A 123 10.685 -11.414 -2.985 1.00 0.00 C ATOM 1452 C LEU A 123 10.529 -12.861 -3.446 1.00 0.00 C ATOM 1453 O LEU A 123 11.200 -13.760 -2.938 1.00 0.00 O ATOM 1454 CB LEU A 123 9.518 -11.026 -2.073 1.00 0.00 C ATOM 1455 CG LEU A 123 9.829 -11.044 -0.575 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.897 -10.014 -0.241 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.565 -10.789 0.235 1.00 0.00 C ATOM 0 H LEU A 123 10.096 -9.732 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 123 11.617 -11.332 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.181 -10.026 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.687 -11.705 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 123 10.211 -12.031 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.106 -10.040 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.808 -10.242 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.543 -9.021 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.805 -10.805 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.154 -9.815 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.830 -11.564 0.017 1.00 0.00 H new ATOM 1469 N GLN A 124 9.641 -13.080 -4.412 1.00 0.00 N ATOM 1470 CA GLN A 124 9.401 -14.419 -4.939 1.00 0.00 C ATOM 1471 C GLN A 124 10.687 -15.029 -5.488 1.00 0.00 C ATOM 1472 O GLN A 124 11.019 -16.176 -5.190 1.00 0.00 O ATOM 1473 CB GLN A 124 8.336 -14.375 -6.037 1.00 0.00 C ATOM 1474 CG GLN A 124 6.917 -14.528 -5.515 1.00 0.00 C ATOM 1475 CD GLN A 124 5.882 -14.484 -6.621 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.612 -15.635 -7.226 1.00 0.00 O flip ATOM 1477 NE2 GLN A 124 5.330 -13.428 -6.929 1.00 0.00 N flip ATOM 0 H GLN A 124 9.077 -12.349 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 124 9.045 -15.044 -4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.417 -13.429 -6.572 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.536 -15.168 -6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.831 -15.473 -4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.710 -13.734 -4.797 1.00 0.00 H new ATOM 0 HE21 GLN A 124 5.568 -12.566 -6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 124 4.635 -13.415 -7.675 1.00 0.00 H new ATOM 1486 N HIS A 125 11.408 -14.253 -6.291 1.00 0.00 N ATOM 1487 CA HIS A 125 12.659 -14.715 -6.881 1.00 0.00 C ATOM 1488 C HIS A 125 13.736 -14.883 -5.815 1.00 0.00 C ATOM 1489 O HIS A 125 14.508 -15.841 -5.843 1.00 0.00 O ATOM 1490 CB HIS A 125 13.135 -13.733 -7.953 1.00 0.00 C ATOM 1491 CG HIS A 125 14.159 -14.309 -8.880 1.00 0.00 C ATOM 1492 ND1 HIS A 125 15.389 -14.765 -8.455 1.00 0.00 N ATOM 1493 CD2 HIS A 125 14.131 -14.503 -10.220 1.00 0.00 C ATOM 1494 CE1 HIS A 125 16.073 -15.213 -9.492 1.00 0.00 C ATOM 1495 NE2 HIS A 125 15.332 -15.067 -10.575 1.00 0.00 N ATOM 0 H HIS A 125 11.147 -13.301 -6.548 1.00 0.00 H new ATOM 0 HA HIS A 125 12.476 -15.686 -7.342 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.276 -13.399 -8.536 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.552 -12.851 -7.467 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.316 -14.260 -10.886 1.00 0.00 H new ATOM 0 HE1 HIS A 125 17.069 -15.628 -9.460 1.00 0.00 H new ATOM 0 HE2 HIS A 125 15.607 -15.330 -11.521 1.00 0.00 H new ATOM 1504 N ALA A 126 13.783 -13.943 -4.877 1.00 0.00 N ATOM 1505 CA ALA A 126 14.766 -13.984 -3.801 1.00 0.00 C ATOM 1506 C ALA A 126 14.493 -15.144 -2.850 1.00 0.00 C ATOM 1507 O ALA A 126 15.420 -15.786 -2.356 1.00 0.00 O ATOM 1508 CB ALA A 126 14.772 -12.666 -3.043 1.00 0.00 C ATOM 0 H ALA A 126 13.151 -13.143 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 126 15.749 -14.139 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.510 -12.710 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.025 -11.855 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.785 -12.487 -2.617 1.00 0.00 H new ATOM 1514 N MET A 127 13.214 -15.409 -2.596 1.00 0.00 N ATOM 1515 CA MET A 127 12.818 -16.493 -1.704 1.00 0.00 C ATOM 1516 C MET A 127 13.429 -17.818 -2.149 1.00 0.00 C ATOM 1517 O MET A 127 14.014 -18.545 -1.347 1.00 0.00 O ATOM 1518 CB MET A 127 11.293 -16.614 -1.661 1.00 0.00 C ATOM 1519 CG MET A 127 10.766 -17.208 -0.366 1.00 0.00 C ATOM 1520 SD MET A 127 9.051 -17.750 -0.498 1.00 0.00 S ATOM 1521 CE MET A 127 8.204 -16.174 -0.597 1.00 0.00 C ATOM 0 H MET A 127 12.434 -14.887 -2.996 1.00 0.00 H new ATOM 0 HA MET A 127 13.188 -16.260 -0.706 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.854 -15.626 -1.803 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.962 -17.232 -2.496 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.390 -18.055 -0.079 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.849 -16.467 0.429 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.164 -16.300 -0.294 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.690 -15.457 0.065 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.241 -15.805 -1.622 1.00 0.00 H new ATOM 1531 N GLY A 128 13.287 -18.123 -3.434 1.00 0.00 N ATOM 1532 CA GLY A 128 13.829 -19.359 -3.968 1.00 0.00 C ATOM 1533 C GLY A 128 13.100 -19.821 -5.214 1.00 0.00 C ATOM 1534 O GLY A 128 12.825 -21.010 -5.376 1.00 0.00 O ATOM 0 H GLY A 128 12.806 -17.536 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.885 -19.219 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.770 -20.137 -3.207 1.00 0.00 H new ATOM 1538 N ILE A 129 12.787 -18.879 -6.097 1.00 0.00 N ATOM 1539 CA ILE A 129 12.085 -19.195 -7.335 1.00 0.00 C ATOM 1540 C ILE A 129 12.716 -18.478 -8.523 1.00 0.00 C ATOM 1541 O ILE A 129 13.393 -17.463 -8.360 1.00 0.00 O ATOM 1542 CB ILE A 129 10.595 -18.813 -7.251 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.980 -19.349 -5.957 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.843 -19.343 -8.462 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.659 -18.702 -5.603 1.00 0.00 C ATOM 0 H ILE A 129 13.008 -17.890 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 129 12.168 -20.272 -7.478 1.00 0.00 H new ATOM 0 HB ILE A 129 10.514 -17.726 -7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.835 -20.425 -6.052 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.683 -19.193 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.792 -19.065 -8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.268 -18.916 -9.370 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.929 -20.429 -8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.281 -19.130 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.802 -17.629 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.941 -18.880 -6.403 1.00 0.00 H new