USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 180:sc= 0.061 USER MOD Single : A 6 SER OG : rot 84:sc= 0.00309 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 13 MET CE :methyl -113:sc= -0.359 (180deg=-0.933) USER MOD Single : A 20 CYS SG : rot -80:sc= -2.89! USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= -2.06! (180deg=-3.21!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -69:sc= 0.479 USER MOD Single : A 29 ASN : amide:sc=-0.00262 X(o=-0.0026,f=-0.047) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0339 X(o=-0.034,f=-0.0092) USER MOD Single : A 42 HIS : no HE2:sc= 0.661 K(o=0.66,f=-3.7!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.303 F(o=-1.1,f=-0.3) USER MOD Single : A 86 THR OG1 : rot 57:sc= 0.235 USER MOD Single : A 87 SER OG : rot 73:sc= 1.3 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.171 F(o=-1.3,f=-0.17) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 94 GLN : amide:sc= -1.16 K(o=-1.2,f=-6.4!) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 102 THR OG1 : rot 152:sc= -0.741! USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0646 F(o=-1.1,f=-0.065) USER MOD Single : A 104 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.83) USER MOD Single : A 105 ASN : amide:sc= -0.692 X(o=-0.69,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -44.301 9.234 -4.295 1.00 5.46 N ATOM 16 CA ILE A 2 -43.339 8.164 -4.167 1.00 4.94 C ATOM 17 C ILE A 2 -41.968 8.803 -4.055 1.00 4.60 C ATOM 18 O ILE A 2 -41.202 8.854 -5.020 1.00 4.72 O ATOM 19 CB ILE A 2 -43.378 7.171 -5.352 1.00 4.98 C ATOM 20 CG1 ILE A 2 -44.786 6.591 -5.525 1.00 5.40 C ATOM 21 CG2 ILE A 2 -42.369 6.052 -5.141 1.00 4.52 C ATOM 22 CD1 ILE A 2 -45.605 7.289 -6.586 1.00 5.69 C ATOM 0 HA ILE A 2 -43.580 7.575 -3.282 1.00 4.94 H new ATOM 0 HB ILE A 2 -43.114 7.712 -6.260 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -44.705 5.534 -5.778 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -45.314 6.651 -4.573 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -42.409 5.362 -5.984 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -41.367 6.475 -5.066 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -42.607 5.516 -4.222 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -46.589 6.824 -6.651 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -45.718 8.341 -6.325 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -45.100 7.206 -7.548 1.00 5.69 H new ATOM 34 N ASP A 3 -41.710 9.353 -2.878 1.00 4.29 N ATOM 35 CA ASP A 3 -40.496 10.108 -2.628 1.00 4.07 C ATOM 36 C ASP A 3 -39.271 9.223 -2.752 1.00 3.76 C ATOM 37 O ASP A 3 -38.934 8.465 -1.841 1.00 3.50 O ATOM 38 CB ASP A 3 -40.550 10.768 -1.247 1.00 3.99 C ATOM 39 CG ASP A 3 -41.523 11.933 -1.195 1.00 4.25 C ATOM 40 OD1 ASP A 3 -42.753 11.698 -1.165 1.00 4.39 O ATOM 41 OD2 ASP A 3 -41.060 13.095 -1.175 1.00 4.60 O ATOM 0 H ASP A 3 -42.334 9.288 -2.074 1.00 4.29 H new ATOM 0 HA ASP A 3 -40.422 10.892 -3.382 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -40.839 10.025 -0.504 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -39.554 11.119 -0.977 1.00 3.99 H new ATOM 46 N GLU A 4 -38.605 9.332 -3.892 1.00 3.88 N ATOM 47 CA GLU A 4 -37.412 8.548 -4.170 1.00 3.72 C ATOM 48 C GLU A 4 -36.243 9.011 -3.313 1.00 3.64 C ATOM 49 O GLU A 4 -35.151 8.451 -3.377 1.00 3.58 O ATOM 50 CB GLU A 4 -37.066 8.603 -5.654 1.00 4.04 C ATOM 51 CG GLU A 4 -38.128 7.949 -6.516 1.00 4.23 C ATOM 52 CD GLU A 4 -37.696 7.758 -7.957 1.00 4.68 C ATOM 53 OE1 GLU A 4 -36.808 6.915 -8.213 1.00 4.67 O ATOM 54 OE2 GLU A 4 -38.271 8.411 -8.854 1.00 5.13 O ATOM 0 H GLU A 4 -38.875 9.963 -4.646 1.00 3.88 H new ATOM 0 HA GLU A 4 -37.619 7.509 -3.911 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -36.944 9.643 -5.958 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -36.110 8.107 -5.821 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -38.386 6.980 -6.090 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -39.031 8.558 -6.492 1.00 4.23 H new ATOM 61 N SER A 5 -36.479 10.039 -2.519 1.00 3.76 N ATOM 62 CA SER A 5 -35.528 10.460 -1.515 1.00 3.85 C ATOM 63 C SER A 5 -35.241 9.294 -0.568 1.00 3.61 C ATOM 64 O SER A 5 -34.101 9.073 -0.164 1.00 3.72 O ATOM 65 CB SER A 5 -36.113 11.637 -0.739 1.00 4.10 C ATOM 66 OG SER A 5 -36.890 12.462 -1.595 1.00 4.17 O ATOM 0 H SER A 5 -37.330 10.600 -2.553 1.00 3.76 H new ATOM 0 HA SER A 5 -34.596 10.769 -1.988 1.00 3.85 H new ATOM 0 HB2 SER A 5 -36.731 11.269 0.080 1.00 4.10 H new ATOM 0 HB3 SER A 5 -35.308 12.222 -0.293 1.00 4.10 H new ATOM 0 HG SER A 5 -37.259 13.211 -1.081 1.00 4.17 H new ATOM 72 N SER A 6 -36.286 8.523 -0.267 1.00 3.37 N ATOM 73 CA SER A 6 -36.183 7.391 0.645 1.00 3.21 C ATOM 74 C SER A 6 -35.263 6.305 0.084 1.00 3.07 C ATOM 75 O SER A 6 -34.355 5.828 0.772 1.00 3.14 O ATOM 76 CB SER A 6 -37.574 6.817 0.903 1.00 3.12 C ATOM 77 OG SER A 6 -38.474 7.835 1.313 1.00 3.42 O ATOM 0 H SER A 6 -37.221 8.667 -0.648 1.00 3.37 H new ATOM 0 HA SER A 6 -35.750 7.743 1.582 1.00 3.21 H new ATOM 0 HB2 SER A 6 -37.948 6.338 -0.002 1.00 3.12 H new ATOM 0 HB3 SER A 6 -37.517 6.046 1.671 1.00 3.12 H new ATOM 0 HG SER A 6 -38.841 8.284 0.523 1.00 3.42 H new ATOM 83 N VAL A 7 -35.482 5.925 -1.176 1.00 2.98 N ATOM 84 CA VAL A 7 -34.684 4.868 -1.787 1.00 2.91 C ATOM 85 C VAL A 7 -33.238 5.303 -1.953 1.00 3.12 C ATOM 86 O VAL A 7 -32.314 4.533 -1.686 1.00 3.14 O ATOM 87 CB VAL A 7 -35.253 4.398 -3.146 1.00 2.96 C ATOM 88 CG1 VAL A 7 -35.494 5.556 -4.095 1.00 3.24 C ATOM 89 CG2 VAL A 7 -34.325 3.378 -3.782 1.00 2.98 C ATOM 0 H VAL A 7 -36.195 6.328 -1.784 1.00 2.98 H new ATOM 0 HA VAL A 7 -34.728 4.020 -1.104 1.00 2.91 H new ATOM 0 HB VAL A 7 -36.219 3.932 -2.951 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -35.894 5.178 -5.036 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -36.208 6.249 -3.650 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -34.554 6.075 -4.282 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -34.738 3.056 -4.738 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -33.345 3.828 -3.943 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -34.224 2.516 -3.122 1.00 2.98 H new ATOM 99 N MET A 8 -33.044 6.541 -2.379 1.00 3.37 N ATOM 100 CA MET A 8 -31.704 7.079 -2.538 1.00 3.71 C ATOM 101 C MET A 8 -30.973 7.134 -1.205 1.00 3.85 C ATOM 102 O MET A 8 -29.769 6.908 -1.156 1.00 4.12 O ATOM 103 CB MET A 8 -31.739 8.457 -3.193 1.00 4.00 C ATOM 104 CG MET A 8 -32.136 8.400 -4.657 1.00 4.07 C ATOM 105 SD MET A 8 -31.857 9.956 -5.525 1.00 4.46 S ATOM 106 CE MET A 8 -32.229 9.465 -7.207 1.00 5.17 C ATOM 0 H MET A 8 -33.794 7.189 -2.620 1.00 3.37 H new ATOM 0 HA MET A 8 -31.154 6.406 -3.196 1.00 3.71 H new ATOM 0 HB2 MET A 8 -32.442 9.093 -2.655 1.00 4.00 H new ATOM 0 HB3 MET A 8 -30.757 8.922 -3.105 1.00 4.00 H new ATOM 0 HG2 MET A 8 -31.571 7.609 -5.150 1.00 4.07 H new ATOM 0 HG3 MET A 8 -33.190 8.133 -4.732 1.00 4.07 H new ATOM 0 HE1 MET A 8 -32.103 10.320 -7.872 1.00 5.17 H new ATOM 0 HE2 MET A 8 -31.553 8.666 -7.511 1.00 5.17 H new ATOM 0 HE3 MET A 8 -33.258 9.110 -7.263 1.00 5.17 H new ATOM 116 N GLN A 9 -31.693 7.407 -0.122 1.00 3.77 N ATOM 117 CA GLN A 9 -31.085 7.383 1.203 1.00 4.01 C ATOM 118 C GLN A 9 -30.503 6.005 1.502 1.00 3.96 C ATOM 119 O GLN A 9 -29.359 5.898 1.948 1.00 4.33 O ATOM 120 CB GLN A 9 -32.089 7.771 2.286 1.00 4.00 C ATOM 121 CG GLN A 9 -32.369 9.264 2.348 1.00 4.36 C ATOM 122 CD GLN A 9 -33.357 9.628 3.439 1.00 4.96 C ATOM 123 OE1 GLN A 9 -34.565 9.674 3.209 1.00 5.38 O ATOM 124 NE2 GLN A 9 -32.847 9.888 4.634 1.00 5.37 N ATOM 0 H GLN A 9 -32.685 7.644 -0.134 1.00 3.77 H new ATOM 0 HA GLN A 9 -30.280 8.118 1.207 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -33.025 7.241 2.109 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -31.713 7.440 3.254 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -31.434 9.798 2.517 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -32.757 9.597 1.386 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -31.839 9.838 4.780 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -33.463 10.138 5.408 1.00 5.37 H new ATOM 133 N LEU A 10 -31.284 4.952 1.244 1.00 3.56 N ATOM 134 CA LEU A 10 -30.793 3.582 1.420 1.00 3.52 C ATOM 135 C LEU A 10 -29.593 3.340 0.518 1.00 3.65 C ATOM 136 O LEU A 10 -28.562 2.819 0.943 1.00 3.90 O ATOM 137 CB LEU A 10 -31.841 2.530 1.044 1.00 3.15 C ATOM 138 CG LEU A 10 -33.239 2.667 1.632 1.00 3.03 C ATOM 139 CD1 LEU A 10 -34.013 1.391 1.373 1.00 2.85 C ATOM 140 CD2 LEU A 10 -33.200 2.962 3.122 1.00 3.23 C ATOM 0 H LEU A 10 -32.248 5.020 0.916 1.00 3.56 H new ATOM 0 HA LEU A 10 -30.540 3.484 2.476 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -31.935 2.527 -0.042 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -31.452 1.554 1.333 1.00 3.15 H new ATOM 0 HG LEU A 10 -33.733 3.510 1.149 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -35.015 1.482 1.792 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -34.083 1.219 0.299 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -33.499 0.552 1.842 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -34.218 3.052 3.502 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -32.690 2.150 3.640 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -32.664 3.896 3.294 1.00 3.23 H new ATOM 152 N ALA A 11 -29.759 3.732 -0.737 1.00 3.56 N ATOM 153 CA ALA A 11 -28.777 3.472 -1.778 1.00 3.74 C ATOM 154 C ALA A 11 -27.442 4.146 -1.482 1.00 4.22 C ATOM 155 O ALA A 11 -26.397 3.498 -1.486 1.00 4.46 O ATOM 156 CB ALA A 11 -29.324 3.936 -3.124 1.00 3.71 C ATOM 0 H ALA A 11 -30.581 4.241 -1.062 1.00 3.56 H new ATOM 0 HA ALA A 11 -28.593 2.398 -1.810 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -28.587 3.741 -3.903 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -30.243 3.395 -3.350 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -29.534 5.005 -3.083 1.00 3.71 H new ATOM 162 N GLU A 12 -27.490 5.434 -1.178 1.00 4.41 N ATOM 163 CA GLU A 12 -26.281 6.224 -0.952 1.00 4.92 C ATOM 164 C GLU A 12 -25.559 5.835 0.342 1.00 5.14 C ATOM 165 O GLU A 12 -24.558 6.450 0.697 1.00 5.60 O ATOM 166 CB GLU A 12 -26.622 7.709 -0.904 1.00 5.13 C ATOM 167 CG GLU A 12 -27.205 8.260 -2.196 1.00 5.27 C ATOM 168 CD GLU A 12 -26.263 8.128 -3.375 1.00 5.79 C ATOM 169 OE1 GLU A 12 -25.215 8.811 -3.387 1.00 6.27 O ATOM 170 OE2 GLU A 12 -26.576 7.359 -4.310 1.00 5.95 O ATOM 0 H GLU A 12 -28.358 5.961 -1.081 1.00 4.41 H new ATOM 0 HA GLU A 12 -25.611 6.016 -1.786 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -27.333 7.880 -0.096 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -25.720 8.269 -0.658 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -28.135 7.737 -2.421 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -27.457 9.311 -2.055 1.00 5.27 H new ATOM 177 N MET A 13 -26.081 4.848 1.062 1.00 4.88 N ATOM 178 CA MET A 13 -25.418 4.366 2.272 1.00 5.14 C ATOM 179 C MET A 13 -25.277 2.846 2.271 1.00 4.89 C ATOM 180 O MET A 13 -24.913 2.255 3.288 1.00 5.03 O ATOM 181 CB MET A 13 -26.180 4.795 3.528 1.00 5.20 C ATOM 182 CG MET A 13 -27.519 4.093 3.698 1.00 4.86 C ATOM 183 SD MET A 13 -28.342 4.489 5.254 1.00 5.10 S ATOM 184 CE MET A 13 -28.646 6.245 5.061 1.00 5.16 C ATOM 0 H MET A 13 -26.952 4.369 0.834 1.00 4.88 H new ATOM 0 HA MET A 13 -24.424 4.812 2.281 1.00 5.14 H new ATOM 0 HB2 MET A 13 -25.562 4.597 4.403 1.00 5.20 H new ATOM 0 HB3 MET A 13 -26.346 5.872 3.492 1.00 5.20 H new ATOM 0 HG2 MET A 13 -28.172 4.367 2.870 1.00 4.86 H new ATOM 0 HG3 MET A 13 -27.366 3.015 3.640 1.00 4.86 H new ATOM 0 HE1 MET A 13 -28.042 6.800 5.779 1.00 5.16 H new ATOM 0 HE2 MET A 13 -28.379 6.551 4.050 1.00 5.16 H new ATOM 0 HE3 MET A 13 -29.701 6.453 5.237 1.00 5.16 H new ATOM 194 N GLY A 14 -25.561 2.203 1.148 1.00 4.62 N ATOM 195 CA GLY A 14 -25.490 0.756 1.116 1.00 4.51 C ATOM 196 C GLY A 14 -25.535 0.178 -0.281 1.00 4.38 C ATOM 197 O GLY A 14 -24.506 0.066 -0.944 1.00 4.75 O ATOM 0 H GLY A 14 -25.835 2.647 0.272 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -24.569 0.435 1.603 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -26.317 0.347 1.696 1.00 4.51 H new ATOM 201 N PHE A 15 -26.728 -0.190 -0.723 1.00 4.09 N ATOM 202 CA PHE A 15 -26.911 -0.855 -2.008 1.00 4.04 C ATOM 203 C PHE A 15 -28.011 -0.164 -2.804 1.00 3.73 C ATOM 204 O PHE A 15 -28.843 0.532 -2.225 1.00 3.48 O ATOM 205 CB PHE A 15 -27.284 -2.326 -1.786 1.00 4.10 C ATOM 206 CG PHE A 15 -26.200 -3.147 -1.145 1.00 4.27 C ATOM 207 CD1 PHE A 15 -25.192 -3.707 -1.914 1.00 4.60 C ATOM 208 CD2 PHE A 15 -26.187 -3.357 0.225 1.00 4.36 C ATOM 209 CE1 PHE A 15 -24.196 -4.465 -1.329 1.00 5.01 C ATOM 210 CE2 PHE A 15 -25.192 -4.114 0.815 1.00 4.78 C ATOM 211 CZ PHE A 15 -24.194 -4.666 0.036 1.00 5.09 C ATOM 0 H PHE A 15 -27.594 -0.038 -0.205 1.00 4.09 H new ATOM 0 HA PHE A 15 -25.977 -0.800 -2.568 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -28.177 -2.373 -1.162 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -27.543 -2.772 -2.746 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -25.185 -3.549 -2.982 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -26.963 -2.924 0.839 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -23.419 -4.900 -1.940 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -25.195 -4.273 1.883 1.00 4.78 H new ATOM 0 HZ PHE A 15 -23.413 -5.254 0.495 1.00 5.09 H new ATOM 221 N PRO A 16 -28.031 -0.347 -4.139 1.00 3.83 N ATOM 222 CA PRO A 16 -29.063 0.229 -5.009 1.00 3.69 C ATOM 223 C PRO A 16 -30.409 -0.445 -4.777 1.00 3.43 C ATOM 224 O PRO A 16 -30.815 -1.342 -5.519 1.00 3.52 O ATOM 225 CB PRO A 16 -28.544 -0.062 -6.419 1.00 4.05 C ATOM 226 CG PRO A 16 -27.707 -1.277 -6.257 1.00 4.25 C ATOM 227 CD PRO A 16 -27.058 -1.143 -4.908 1.00 4.22 C ATOM 0 HA PRO A 16 -29.227 1.291 -4.826 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -29.363 -0.233 -7.117 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -27.962 0.773 -6.809 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -28.313 -2.181 -6.312 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -26.959 -1.346 -7.047 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -26.882 -2.116 -4.448 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -26.092 -0.642 -4.975 1.00 4.22 H new ATOM 235 N LEU A 17 -31.091 -0.017 -3.730 1.00 3.19 N ATOM 236 CA LEU A 17 -32.309 -0.668 -3.300 1.00 3.02 C ATOM 237 C LEU A 17 -33.519 -0.211 -4.119 1.00 3.04 C ATOM 238 O LEU A 17 -34.421 0.443 -3.608 1.00 2.93 O ATOM 239 CB LEU A 17 -32.508 -0.452 -1.787 1.00 2.86 C ATOM 240 CG LEU A 17 -31.381 -1.041 -0.926 1.00 2.99 C ATOM 241 CD1 LEU A 17 -31.554 -0.676 0.531 1.00 3.21 C ATOM 242 CD2 LEU A 17 -31.326 -2.551 -1.074 1.00 3.29 C ATOM 0 H LEU A 17 -30.817 0.784 -3.161 1.00 3.19 H new ATOM 0 HA LEU A 17 -32.216 -1.739 -3.480 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -32.584 0.617 -1.588 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -33.455 -0.900 -1.486 1.00 2.86 H new ATOM 0 HG LEU A 17 -30.442 -0.614 -1.279 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -30.740 -1.108 1.113 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -31.541 0.409 0.638 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -32.506 -1.065 0.893 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -30.521 -2.948 -0.456 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -32.275 -2.983 -0.755 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -31.143 -2.808 -2.117 1.00 3.29 H new ATOM 254 N GLU A 18 -33.532 -0.558 -5.409 1.00 3.30 N ATOM 255 CA GLU A 18 -34.700 -0.366 -6.257 1.00 3.51 C ATOM 256 C GLU A 18 -35.916 -1.061 -5.643 1.00 3.51 C ATOM 257 O GLU A 18 -37.065 -0.723 -5.930 1.00 3.70 O ATOM 258 CB GLU A 18 -34.406 -0.922 -7.640 1.00 3.90 C ATOM 259 CG GLU A 18 -34.949 -0.074 -8.767 1.00 4.24 C ATOM 260 CD GLU A 18 -36.427 -0.282 -9.020 1.00 4.90 C ATOM 261 OE1 GLU A 18 -36.835 -1.422 -9.322 1.00 5.48 O ATOM 262 OE2 GLU A 18 -37.193 0.698 -8.922 1.00 5.09 O ATOM 0 H GLU A 18 -32.735 -0.977 -5.888 1.00 3.30 H new ATOM 0 HA GLU A 18 -34.924 0.698 -6.339 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -33.327 -1.021 -7.760 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -34.828 -1.924 -7.716 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -34.772 0.977 -8.538 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -34.397 -0.299 -9.679 1.00 4.24 H new ATOM 269 N ALA A 19 -35.643 -2.044 -4.795 1.00 3.41 N ATOM 270 CA ALA A 19 -36.674 -2.685 -4.000 1.00 3.49 C ATOM 271 C ALA A 19 -37.375 -1.654 -3.125 1.00 3.32 C ATOM 272 O ALA A 19 -38.566 -1.750 -2.871 1.00 3.54 O ATOM 273 CB ALA A 19 -36.060 -3.778 -3.146 1.00 3.45 C ATOM 0 H ALA A 19 -34.705 -2.415 -4.642 1.00 3.41 H new ATOM 0 HA ALA A 19 -37.412 -3.134 -4.665 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -36.839 -4.256 -2.551 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -35.588 -4.520 -3.789 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -35.312 -3.344 -2.483 1.00 3.45 H new ATOM 279 N CYS A 20 -36.613 -0.656 -2.691 1.00 3.03 N ATOM 280 CA CYS A 20 -37.144 0.453 -1.902 1.00 2.94 C ATOM 281 C CYS A 20 -37.962 1.368 -2.787 1.00 3.13 C ATOM 282 O CYS A 20 -38.989 1.886 -2.378 1.00 3.27 O ATOM 283 CB CYS A 20 -36.026 1.277 -1.268 1.00 2.73 C ATOM 284 SG CYS A 20 -36.614 2.584 -0.167 1.00 2.75 S ATOM 0 H CYS A 20 -35.612 -0.592 -2.875 1.00 3.03 H new ATOM 0 HA CYS A 20 -37.761 0.024 -1.113 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -35.370 0.611 -0.707 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -35.425 1.725 -2.059 1.00 2.73 H new ATOM 0 HG CYS A 20 -36.992 3.608 -0.873 1.00 2.75 H new ATOM 290 N ARG A 21 -37.475 1.576 -3.997 1.00 3.24 N ATOM 291 CA ARG A 21 -38.182 2.386 -4.986 1.00 3.55 C ATOM 292 C ARG A 21 -39.641 1.919 -5.094 1.00 3.89 C ATOM 293 O ARG A 21 -40.591 2.689 -4.870 1.00 4.07 O ATOM 294 CB ARG A 21 -37.463 2.243 -6.329 1.00 3.75 C ATOM 295 CG ARG A 21 -37.441 3.493 -7.191 1.00 4.17 C ATOM 296 CD ARG A 21 -38.779 3.770 -7.855 1.00 4.74 C ATOM 297 NE ARG A 21 -38.721 4.972 -8.684 1.00 5.08 N ATOM 298 CZ ARG A 21 -39.458 5.178 -9.773 1.00 5.56 C ATOM 299 NH1 ARG A 21 -40.294 4.246 -10.206 1.00 5.80 N ATOM 300 NH2 ARG A 21 -39.349 6.326 -10.426 1.00 6.10 N ATOM 0 H ARG A 21 -36.587 1.195 -4.325 1.00 3.24 H new ATOM 0 HA ARG A 21 -38.186 3.434 -4.688 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -36.435 1.934 -6.141 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -37.939 1.441 -6.893 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -37.161 4.348 -6.576 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -36.674 3.387 -7.958 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -39.067 2.916 -8.468 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -39.549 3.888 -7.092 1.00 4.74 H new ATOM 0 HE ARG A 21 -38.069 5.706 -8.408 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -40.377 3.362 -9.704 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -40.855 4.412 -11.041 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -38.704 7.043 -10.093 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -39.910 6.493 -11.262 1.00 6.10 H new ATOM 314 N LYS A 22 -39.806 0.636 -5.384 1.00 4.03 N ATOM 315 CA LYS A 22 -41.129 0.039 -5.487 1.00 4.43 C ATOM 316 C LYS A 22 -41.769 -0.087 -4.106 1.00 4.38 C ATOM 317 O LYS A 22 -42.988 -0.101 -3.983 1.00 4.73 O ATOM 318 CB LYS A 22 -41.044 -1.329 -6.173 1.00 4.63 C ATOM 319 CG LYS A 22 -40.265 -2.368 -5.381 1.00 4.60 C ATOM 320 CD LYS A 22 -39.856 -3.563 -6.232 1.00 4.73 C ATOM 321 CE LYS A 22 -38.681 -3.234 -7.147 1.00 4.49 C ATOM 322 NZ LYS A 22 -39.063 -2.335 -8.270 1.00 4.77 N ATOM 0 H LYS A 22 -39.037 -0.013 -5.552 1.00 4.03 H new ATOM 0 HA LYS A 22 -41.758 0.690 -6.095 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -42.054 -1.701 -6.347 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -40.577 -1.206 -7.150 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -39.373 -1.905 -4.958 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -40.872 -2.713 -4.544 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -39.588 -4.396 -5.583 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -40.705 -3.888 -6.834 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -37.891 -2.763 -6.562 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -38.270 -4.159 -7.551 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -38.300 -2.319 -8.977 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -39.937 -2.684 -8.712 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -39.219 -1.373 -7.907 1.00 4.77 H new ATOM 336 N ALA A 23 -40.934 -0.162 -3.071 1.00 4.00 N ATOM 337 CA ALA A 23 -41.414 -0.251 -1.697 1.00 4.00 C ATOM 338 C ALA A 23 -42.077 1.043 -1.269 1.00 4.05 C ATOM 339 O ALA A 23 -43.109 1.027 -0.628 1.00 4.34 O ATOM 340 CB ALA A 23 -40.279 -0.573 -0.745 1.00 3.66 C ATOM 0 H ALA A 23 -39.918 -0.163 -3.161 1.00 4.00 H new ATOM 0 HA ALA A 23 -42.148 -1.056 -1.660 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -40.664 -0.634 0.273 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -39.832 -1.528 -1.021 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -39.524 0.211 -0.801 1.00 3.66 H new ATOM 346 N VAL A 24 -41.467 2.163 -1.609 1.00 3.82 N ATOM 347 CA VAL A 24 -42.037 3.464 -1.303 1.00 3.90 C ATOM 348 C VAL A 24 -43.399 3.607 -1.974 1.00 4.37 C ATOM 349 O VAL A 24 -44.363 4.081 -1.362 1.00 4.58 O ATOM 350 CB VAL A 24 -41.107 4.614 -1.755 1.00 3.69 C ATOM 351 CG1 VAL A 24 -41.760 5.968 -1.539 1.00 3.86 C ATOM 352 CG2 VAL A 24 -39.777 4.549 -1.019 1.00 3.33 C ATOM 0 H VAL A 24 -40.573 2.199 -2.099 1.00 3.82 H new ATOM 0 HA VAL A 24 -42.152 3.531 -0.221 1.00 3.90 H new ATOM 0 HB VAL A 24 -40.924 4.492 -2.823 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -41.081 6.756 -1.866 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -42.684 6.022 -2.115 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -41.984 6.099 -0.480 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -39.137 5.366 -1.351 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -39.950 4.636 0.054 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -39.290 3.597 -1.231 1.00 3.33 H new ATOM 362 N TYR A 25 -43.480 3.174 -3.227 1.00 4.58 N ATOM 363 CA TYR A 25 -44.756 3.159 -3.935 1.00 5.10 C ATOM 364 C TYR A 25 -45.727 2.159 -3.291 1.00 5.36 C ATOM 365 O TYR A 25 -46.920 2.432 -3.162 1.00 5.71 O ATOM 366 CB TYR A 25 -44.540 2.833 -5.418 1.00 5.32 C ATOM 367 CG TYR A 25 -45.823 2.716 -6.215 1.00 5.87 C ATOM 368 CD1 TYR A 25 -46.587 3.840 -6.504 1.00 6.18 C ATOM 369 CD2 TYR A 25 -46.269 1.485 -6.680 1.00 6.12 C ATOM 370 CE1 TYR A 25 -47.758 3.741 -7.227 1.00 6.71 C ATOM 371 CE2 TYR A 25 -47.441 1.378 -7.406 1.00 6.65 C ATOM 372 CZ TYR A 25 -48.179 2.510 -7.678 1.00 6.94 C ATOM 373 OH TYR A 25 -49.344 2.412 -8.401 1.00 7.48 O ATOM 0 H TYR A 25 -42.687 2.832 -3.769 1.00 4.58 H new ATOM 0 HA TYR A 25 -45.201 4.151 -3.862 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -43.917 3.609 -5.863 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -43.988 1.896 -5.497 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -46.258 4.808 -6.157 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -45.691 0.597 -6.471 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -48.342 4.625 -7.438 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -47.776 0.413 -7.758 1.00 6.65 H new ATOM 0 HH TYR A 25 -49.500 1.476 -8.645 1.00 7.48 H new ATOM 383 N PHE A 26 -45.198 1.014 -2.869 1.00 5.24 N ATOM 384 CA PHE A 26 -46.005 -0.041 -2.259 1.00 5.55 C ATOM 385 C PHE A 26 -46.478 0.344 -0.857 1.00 5.56 C ATOM 386 O PHE A 26 -47.636 0.121 -0.508 1.00 5.98 O ATOM 387 CB PHE A 26 -45.205 -1.349 -2.198 1.00 5.42 C ATOM 388 CG PHE A 26 -45.921 -2.472 -1.508 1.00 5.81 C ATOM 389 CD1 PHE A 26 -46.903 -3.196 -2.165 1.00 6.32 C ATOM 390 CD2 PHE A 26 -45.614 -2.804 -0.199 1.00 5.81 C ATOM 391 CE1 PHE A 26 -47.565 -4.228 -1.529 1.00 6.79 C ATOM 392 CE2 PHE A 26 -46.273 -3.834 0.442 1.00 6.37 C ATOM 393 CZ PHE A 26 -47.249 -4.547 -0.224 1.00 6.84 C ATOM 0 H PHE A 26 -44.205 0.791 -2.939 1.00 5.24 H new ATOM 0 HA PHE A 26 -46.888 -0.181 -2.882 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -44.958 -1.659 -3.213 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -44.262 -1.162 -1.683 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -47.154 -2.950 -3.186 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -44.850 -2.251 0.327 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -48.329 -4.784 -2.052 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -46.025 -4.081 1.464 1.00 6.37 H new ATOM 0 HZ PHE A 26 -47.765 -5.354 0.275 1.00 6.84 H new ATOM 403 N THR A 27 -45.579 0.917 -0.060 1.00 5.14 N ATOM 404 CA THR A 27 -45.888 1.275 1.315 1.00 5.20 C ATOM 405 C THR A 27 -47.013 2.307 1.370 1.00 5.47 C ATOM 406 O THR A 27 -47.766 2.375 2.340 1.00 5.71 O ATOM 407 CB THR A 27 -44.655 1.823 2.075 1.00 4.75 C ATOM 408 OG1 THR A 27 -44.002 2.829 1.292 1.00 4.44 O ATOM 409 CG2 THR A 27 -43.665 0.714 2.408 1.00 4.59 C ATOM 0 H THR A 27 -44.627 1.143 -0.348 1.00 5.14 H new ATOM 0 HA THR A 27 -46.207 0.356 1.806 1.00 5.20 H new ATOM 0 HB THR A 27 -45.009 2.257 3.010 1.00 4.75 H new ATOM 0 HG1 THR A 27 -43.583 2.414 0.509 1.00 4.44 H new ATOM 0 HG21 THR A 27 -42.813 1.135 2.941 1.00 4.59 H new ATOM 0 HG22 THR A 27 -44.152 -0.033 3.035 1.00 4.59 H new ATOM 0 HG23 THR A 27 -43.321 0.245 1.486 1.00 4.59 H new ATOM 417 N GLY A 28 -47.122 3.102 0.309 1.00 5.48 N ATOM 418 CA GLY A 28 -48.178 4.090 0.217 1.00 5.75 C ATOM 419 C GLY A 28 -47.781 5.414 0.827 1.00 5.44 C ATOM 420 O GLY A 28 -48.604 6.077 1.459 1.00 5.64 O ATOM 0 H GLY A 28 -46.492 3.077 -0.493 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -48.442 4.240 -0.830 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -49.069 3.714 0.720 1.00 5.75 H new ATOM 424 N ASN A 29 -46.520 5.797 0.621 1.00 5.01 N ATOM 425 CA ASN A 29 -45.964 7.023 1.199 1.00 4.73 C ATOM 426 C ASN A 29 -46.062 6.976 2.718 1.00 4.74 C ATOM 427 O ASN A 29 -46.920 7.615 3.321 1.00 4.97 O ATOM 428 CB ASN A 29 -46.679 8.271 0.657 1.00 4.95 C ATOM 429 CG ASN A 29 -46.057 9.572 1.149 1.00 4.86 C ATOM 430 OD1 ASN A 29 -46.443 10.119 2.185 1.00 4.99 O ATOM 431 ND2 ASN A 29 -45.094 10.084 0.400 1.00 5.06 N ATOM 0 H ASN A 29 -45.858 5.270 0.052 1.00 5.01 H new ATOM 0 HA ASN A 29 -44.915 7.087 0.910 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -46.656 8.252 -0.433 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -47.727 8.240 0.954 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -44.646 10.958 0.673 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -44.800 9.604 -0.451 1.00 5.06 H new ATOM 438 N MET A 30 -45.191 6.194 3.335 1.00 4.58 N ATOM 439 CA MET A 30 -45.203 6.057 4.786 1.00 4.71 C ATOM 440 C MET A 30 -43.947 6.664 5.397 1.00 4.46 C ATOM 441 O MET A 30 -43.770 6.666 6.615 1.00 4.65 O ATOM 442 CB MET A 30 -45.322 4.587 5.186 1.00 4.89 C ATOM 443 CG MET A 30 -46.641 3.944 4.793 1.00 5.35 C ATOM 444 SD MET A 30 -48.065 4.736 5.567 1.00 5.80 S ATOM 445 CE MET A 30 -49.407 3.769 4.878 1.00 6.28 C ATOM 0 H MET A 30 -44.472 5.648 2.861 1.00 4.58 H new ATOM 0 HA MET A 30 -46.070 6.596 5.168 1.00 4.71 H new ATOM 0 HB2 MET A 30 -44.506 4.029 4.726 1.00 4.89 H new ATOM 0 HB3 MET A 30 -45.196 4.504 6.266 1.00 4.89 H new ATOM 0 HG2 MET A 30 -46.752 3.987 3.710 1.00 5.35 H new ATOM 0 HG3 MET A 30 -46.623 2.890 5.070 1.00 5.35 H new ATOM 0 HE1 MET A 30 -50.357 4.139 5.263 1.00 6.28 H new ATOM 0 HE2 MET A 30 -49.397 3.856 3.791 1.00 6.28 H new ATOM 0 HE3 MET A 30 -49.284 2.723 5.160 1.00 6.28 H new ATOM 455 N GLY A 31 -43.080 7.184 4.541 1.00 4.17 N ATOM 456 CA GLY A 31 -41.841 7.766 5.005 1.00 4.03 C ATOM 457 C GLY A 31 -40.651 6.869 4.734 1.00 3.77 C ATOM 458 O GLY A 31 -40.809 5.656 4.551 1.00 3.68 O ATOM 0 H GLY A 31 -43.215 7.213 3.530 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -41.688 8.728 4.516 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -41.911 7.960 6.075 1.00 4.03 H new ATOM 462 N ALA A 32 -39.462 7.464 4.722 1.00 3.73 N ATOM 463 CA ALA A 32 -38.228 6.734 4.446 1.00 3.58 C ATOM 464 C ALA A 32 -37.993 5.639 5.473 1.00 3.72 C ATOM 465 O ALA A 32 -37.560 4.542 5.133 1.00 3.56 O ATOM 466 CB ALA A 32 -37.046 7.692 4.423 1.00 3.73 C ATOM 0 H ALA A 32 -39.326 8.459 4.902 1.00 3.73 H new ATOM 0 HA ALA A 32 -38.327 6.263 3.468 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -36.131 7.136 4.216 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -37.199 8.441 3.646 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -36.959 8.186 5.391 1.00 3.73 H new ATOM 472 N GLU A 33 -38.300 5.945 6.727 1.00 4.10 N ATOM 473 CA GLU A 33 -38.092 5.015 7.831 1.00 4.38 C ATOM 474 C GLU A 33 -38.858 3.714 7.603 1.00 4.28 C ATOM 475 O GLU A 33 -38.352 2.627 7.884 1.00 4.30 O ATOM 476 CB GLU A 33 -38.531 5.639 9.162 1.00 4.91 C ATOM 477 CG GLU A 33 -37.875 6.981 9.481 1.00 5.11 C ATOM 478 CD GLU A 33 -38.432 8.119 8.652 1.00 5.12 C ATOM 479 OE1 GLU A 33 -39.585 8.522 8.893 1.00 5.46 O ATOM 480 OE2 GLU A 33 -37.729 8.606 7.745 1.00 5.09 O ATOM 0 H GLU A 33 -38.699 6.841 7.008 1.00 4.10 H new ATOM 0 HA GLU A 33 -37.025 4.795 7.875 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -39.613 5.773 9.147 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -38.308 4.939 9.968 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -38.014 7.206 10.538 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -36.801 6.905 9.310 1.00 5.11 H new ATOM 487 N VAL A 34 -40.069 3.831 7.073 1.00 4.27 N ATOM 488 CA VAL A 34 -40.918 2.669 6.841 1.00 4.34 C ATOM 489 C VAL A 34 -40.391 1.822 5.685 1.00 4.01 C ATOM 490 O VAL A 34 -40.375 0.595 5.763 1.00 4.11 O ATOM 491 CB VAL A 34 -42.380 3.087 6.569 1.00 4.54 C ATOM 492 CG1 VAL A 34 -43.235 1.887 6.184 1.00 4.83 C ATOM 493 CG2 VAL A 34 -42.959 3.784 7.790 1.00 4.88 C ATOM 0 H VAL A 34 -40.486 4.720 6.795 1.00 4.27 H new ATOM 0 HA VAL A 34 -40.896 2.067 7.749 1.00 4.34 H new ATOM 0 HB VAL A 34 -42.385 3.781 5.729 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -44.258 2.214 5.999 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -42.832 1.428 5.281 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -43.228 1.160 6.996 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -43.990 4.075 7.588 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -42.934 3.105 8.643 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -42.369 4.672 8.016 1.00 4.88 H new ATOM 503 N ALA A 35 -39.936 2.471 4.622 1.00 3.68 N ATOM 504 CA ALA A 35 -39.398 1.739 3.485 1.00 3.42 C ATOM 505 C ALA A 35 -38.025 1.166 3.813 1.00 3.28 C ATOM 506 O ALA A 35 -37.642 0.114 3.302 1.00 3.21 O ATOM 507 CB ALA A 35 -39.340 2.607 2.246 1.00 3.22 C ATOM 0 H ALA A 35 -39.928 3.486 4.523 1.00 3.68 H new ATOM 0 HA ALA A 35 -40.073 0.910 3.274 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -38.933 2.029 1.416 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -40.344 2.948 1.993 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -38.701 3.469 2.435 1.00 3.22 H new ATOM 513 N PHE A 36 -37.286 1.867 4.670 1.00 3.36 N ATOM 514 CA PHE A 36 -36.047 1.339 5.223 1.00 3.45 C ATOM 515 C PHE A 36 -36.337 0.007 5.908 1.00 3.68 C ATOM 516 O PHE A 36 -35.605 -0.969 5.747 1.00 3.69 O ATOM 517 CB PHE A 36 -35.445 2.329 6.228 1.00 3.70 C ATOM 518 CG PHE A 36 -34.250 1.799 6.972 1.00 3.98 C ATOM 519 CD1 PHE A 36 -33.039 1.611 6.325 1.00 3.93 C ATOM 520 CD2 PHE A 36 -34.338 1.482 8.318 1.00 4.38 C ATOM 521 CE1 PHE A 36 -31.939 1.124 7.006 1.00 4.29 C ATOM 522 CE2 PHE A 36 -33.243 0.995 9.004 1.00 4.71 C ATOM 523 CZ PHE A 36 -32.042 0.813 8.346 1.00 4.66 C ATOM 0 H PHE A 36 -37.527 2.803 4.995 1.00 3.36 H new ATOM 0 HA PHE A 36 -35.327 1.189 4.419 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -35.156 3.237 5.699 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -36.213 2.610 6.949 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -32.954 1.848 5.275 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -35.275 1.618 8.837 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -31.000 0.987 6.490 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -33.325 0.757 10.054 1.00 4.71 H new ATOM 0 HZ PHE A 36 -31.186 0.428 8.880 1.00 4.66 H new ATOM 533 N ASN A 37 -37.440 -0.022 6.652 1.00 3.94 N ATOM 534 CA ASN A 37 -37.869 -1.225 7.353 1.00 4.25 C ATOM 535 C ASN A 37 -38.268 -2.313 6.359 1.00 4.16 C ATOM 536 O ASN A 37 -37.981 -3.492 6.568 1.00 4.35 O ATOM 537 CB ASN A 37 -39.040 -0.916 8.290 1.00 4.57 C ATOM 538 CG ASN A 37 -39.456 -2.119 9.119 1.00 5.25 C ATOM 539 OD1 ASN A 37 -40.321 -2.901 8.718 1.00 5.69 O ATOM 540 ND2 ASN A 37 -38.848 -2.272 10.288 1.00 5.66 N ATOM 0 H ASN A 37 -38.055 0.781 6.784 1.00 3.94 H new ATOM 0 HA ASN A 37 -37.031 -1.586 7.949 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -38.762 -0.099 8.956 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -39.891 -0.573 7.702 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -39.091 -3.058 10.890 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -38.137 -1.603 10.585 1.00 5.66 H new ATOM 547 N TRP A 38 -38.907 -1.908 5.264 1.00 3.97 N ATOM 548 CA TRP A 38 -39.320 -2.852 4.232 1.00 4.01 C ATOM 549 C TRP A 38 -38.089 -3.552 3.646 1.00 3.81 C ATOM 550 O TRP A 38 -38.118 -4.748 3.324 1.00 4.02 O ATOM 551 CB TRP A 38 -40.120 -2.133 3.127 1.00 3.96 C ATOM 552 CG TRP A 38 -40.870 -3.073 2.223 1.00 4.29 C ATOM 553 CD1 TRP A 38 -42.150 -3.514 2.390 1.00 4.58 C ATOM 554 CD2 TRP A 38 -40.391 -3.689 1.018 1.00 4.67 C ATOM 555 NE1 TRP A 38 -42.494 -4.365 1.369 1.00 4.88 N ATOM 556 CE2 TRP A 38 -41.434 -4.487 0.515 1.00 4.93 C ATOM 557 CE3 TRP A 38 -39.183 -3.644 0.317 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -41.307 -5.232 -0.655 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -39.058 -4.384 -0.844 1.00 5.81 C ATOM 560 CH2 TRP A 38 -40.113 -5.169 -1.319 1.00 5.87 C ATOM 0 H TRP A 38 -39.149 -0.936 5.070 1.00 3.97 H new ATOM 0 HA TRP A 38 -39.970 -3.604 4.680 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -40.827 -1.445 3.590 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -39.437 -1.532 2.527 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -42.799 -3.234 3.207 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -43.395 -4.831 1.265 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -38.362 -3.042 0.676 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -42.122 -5.837 -1.024 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -38.129 -4.355 -1.394 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -39.982 -5.737 -2.228 1.00 5.87 H new ATOM 571 N ILE A 39 -36.998 -2.812 3.543 1.00 3.49 N ATOM 572 CA ILE A 39 -35.762 -3.349 3.003 1.00 3.34 C ATOM 573 C ILE A 39 -35.047 -4.235 4.010 1.00 3.60 C ATOM 574 O ILE A 39 -34.574 -5.310 3.659 1.00 3.69 O ATOM 575 CB ILE A 39 -34.829 -2.211 2.504 1.00 3.04 C ATOM 576 CG1 ILE A 39 -34.683 -2.295 0.986 1.00 2.98 C ATOM 577 CG2 ILE A 39 -33.453 -2.242 3.174 1.00 3.21 C ATOM 578 CD1 ILE A 39 -35.991 -2.137 0.247 1.00 3.10 C ATOM 0 H ILE A 39 -36.944 -1.834 3.828 1.00 3.49 H new ATOM 0 HA ILE A 39 -36.025 -3.972 2.148 1.00 3.34 H new ATOM 0 HB ILE A 39 -35.291 -1.263 2.780 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -33.990 -1.523 0.652 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -34.240 -3.256 0.724 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -32.842 -1.426 2.789 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -33.571 -2.130 4.252 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -32.965 -3.193 2.959 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -35.813 -2.207 -0.826 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -36.679 -2.925 0.553 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -36.425 -1.165 0.480 1.00 3.10 H new ATOM 590 N ILE A 40 -34.982 -3.808 5.258 1.00 3.82 N ATOM 591 CA ILE A 40 -34.223 -4.548 6.248 1.00 4.18 C ATOM 592 C ILE A 40 -34.900 -5.867 6.597 1.00 4.46 C ATOM 593 O ILE A 40 -34.251 -6.805 7.056 1.00 4.72 O ATOM 594 CB ILE A 40 -33.936 -3.698 7.504 1.00 4.46 C ATOM 595 CG1 ILE A 40 -35.219 -3.186 8.163 1.00 4.61 C ATOM 596 CG2 ILE A 40 -33.032 -2.536 7.124 1.00 4.32 C ATOM 597 CD1 ILE A 40 -35.873 -4.187 9.091 1.00 5.04 C ATOM 0 H ILE A 40 -35.439 -2.965 5.606 1.00 3.82 H new ATOM 0 HA ILE A 40 -33.258 -4.789 5.803 1.00 4.18 H new ATOM 0 HB ILE A 40 -33.438 -4.333 8.237 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -34.991 -2.280 8.724 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -35.930 -2.908 7.385 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -32.826 -1.932 8.007 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -32.095 -2.921 6.720 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -33.526 -1.922 6.371 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -36.776 -3.751 9.519 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -36.134 -5.085 8.531 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -35.181 -4.447 9.892 1.00 5.04 H new ATOM 609 N VAL A 41 -36.205 -5.938 6.374 1.00 4.47 N ATOM 610 CA VAL A 41 -36.915 -7.199 6.507 1.00 4.80 C ATOM 611 C VAL A 41 -36.720 -8.058 5.250 1.00 4.72 C ATOM 612 O VAL A 41 -36.677 -9.285 5.336 1.00 5.04 O ATOM 613 CB VAL A 41 -38.425 -7.002 6.812 1.00 4.99 C ATOM 614 CG1 VAL A 41 -39.161 -6.383 5.638 1.00 5.34 C ATOM 615 CG2 VAL A 41 -39.066 -8.321 7.223 1.00 5.37 C ATOM 0 H VAL A 41 -36.787 -5.145 6.103 1.00 4.47 H new ATOM 0 HA VAL A 41 -36.487 -7.721 7.363 1.00 4.80 H new ATOM 0 HB VAL A 41 -38.504 -6.305 7.646 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -40.214 -6.262 5.892 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -38.728 -5.409 5.410 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -39.070 -7.033 4.768 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -40.124 -8.162 7.432 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -38.961 -9.044 6.414 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -38.573 -8.702 8.117 1.00 5.37 H new ATOM 625 N HIS A 42 -36.573 -7.416 4.083 1.00 4.36 N ATOM 626 CA HIS A 42 -36.359 -8.157 2.835 1.00 4.38 C ATOM 627 C HIS A 42 -34.878 -8.264 2.475 1.00 4.19 C ATOM 628 O HIS A 42 -34.533 -8.684 1.372 1.00 4.21 O ATOM 629 CB HIS A 42 -37.131 -7.514 1.679 1.00 4.29 C ATOM 630 CG HIS A 42 -38.598 -7.804 1.708 1.00 4.59 C ATOM 631 ND1 HIS A 42 -39.524 -6.943 2.251 1.00 4.88 N ATOM 632 CD2 HIS A 42 -39.298 -8.868 1.251 1.00 5.00 C ATOM 633 CE1 HIS A 42 -40.730 -7.467 2.131 1.00 5.32 C ATOM 634 NE2 HIS A 42 -40.621 -8.634 1.526 1.00 5.35 N ATOM 0 H HIS A 42 -36.598 -6.402 3.978 1.00 4.36 H new ATOM 0 HA HIS A 42 -36.736 -9.166 3.000 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -36.981 -6.435 1.708 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -36.717 -7.868 0.735 1.00 4.29 H new ATOM 0 HD1 HIS A 42 -39.312 -6.042 2.679 1.00 4.88 H new ATOM 0 HD2 HIS A 42 -38.890 -9.740 0.761 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -41.651 -7.016 2.471 1.00 5.32 H new ATOM 643 N MET A 43 -34.007 -7.894 3.408 1.00 4.14 N ATOM 644 CA MET A 43 -32.558 -8.000 3.199 1.00 4.14 C ATOM 645 C MET A 43 -32.142 -9.451 2.966 1.00 4.46 C ATOM 646 O MET A 43 -31.073 -9.722 2.419 1.00 4.53 O ATOM 647 CB MET A 43 -31.776 -7.418 4.382 1.00 4.26 C ATOM 648 CG MET A 43 -31.905 -8.218 5.669 1.00 4.64 C ATOM 649 SD MET A 43 -30.819 -7.608 6.977 1.00 4.92 S ATOM 650 CE MET A 43 -31.177 -8.780 8.287 1.00 5.73 C ATOM 0 H MET A 43 -34.274 -7.518 4.318 1.00 4.14 H new ATOM 0 HA MET A 43 -32.319 -7.418 2.309 1.00 4.14 H new ATOM 0 HB2 MET A 43 -30.722 -7.355 4.111 1.00 4.26 H new ATOM 0 HB3 MET A 43 -32.120 -6.400 4.564 1.00 4.26 H new ATOM 0 HG2 MET A 43 -32.939 -8.181 6.013 1.00 4.64 H new ATOM 0 HG3 MET A 43 -31.673 -9.264 5.467 1.00 4.64 H new ATOM 0 HE1 MET A 43 -30.581 -8.536 9.167 1.00 5.73 H new ATOM 0 HE2 MET A 43 -32.236 -8.730 8.541 1.00 5.73 H new ATOM 0 HE3 MET A 43 -30.932 -9.787 7.951 1.00 5.73 H new ATOM 1066 N GLN A 76 21.449 1.807 2.715 1.00 5.05 N ATOM 1067 CA GLN A 76 22.698 1.212 3.158 1.00 4.93 C ATOM 1068 C GLN A 76 23.122 0.091 2.210 1.00 4.67 C ATOM 1069 O GLN A 76 22.283 -0.651 1.699 1.00 4.88 O ATOM 1070 CB GLN A 76 22.536 0.661 4.577 1.00 5.47 C ATOM 1071 CG GLN A 76 23.838 0.211 5.224 1.00 5.74 C ATOM 1072 CD GLN A 76 23.630 -0.360 6.616 1.00 6.61 C ATOM 1073 OE1 GLN A 76 22.474 -0.963 6.849 1.00 7.14 O flip ATOM 1074 NE2 GLN A 76 24.501 -0.253 7.478 1.00 7.04 N flip ATOM 0 HA GLN A 76 23.471 1.980 3.156 1.00 4.93 H new ATOM 0 HB2 GLN A 76 22.079 1.428 5.202 1.00 5.47 H new ATOM 0 HB3 GLN A 76 21.846 -0.182 4.551 1.00 5.47 H new ATOM 0 HG2 GLN A 76 24.312 -0.541 4.594 1.00 5.74 H new ATOM 0 HG3 GLN A 76 24.523 1.057 5.281 1.00 5.74 H new ATOM 0 HE21 GLN A 76 25.379 0.219 7.260 1.00 7.04 H new ATOM 0 HE22 GLN A 76 24.345 -0.636 8.411 1.00 7.04 H new ATOM 1083 N PRO A 77 24.435 -0.006 1.936 1.00 4.45 N ATOM 1084 CA PRO A 77 25.033 -1.122 1.186 1.00 4.52 C ATOM 1085 C PRO A 77 24.608 -2.491 1.716 1.00 5.11 C ATOM 1086 O PRO A 77 24.077 -2.602 2.823 1.00 5.41 O ATOM 1087 CB PRO A 77 26.524 -0.923 1.429 1.00 4.27 C ATOM 1088 CG PRO A 77 26.682 0.533 1.597 1.00 4.17 C ATOM 1089 CD PRO A 77 25.447 0.995 2.311 1.00 4.44 C ATOM 0 HA PRO A 77 24.730 -1.115 0.139 1.00 4.52 H new ATOM 0 HB2 PRO A 77 26.857 -1.463 2.316 1.00 4.27 H new ATOM 0 HB3 PRO A 77 27.115 -1.292 0.591 1.00 4.27 H new ATOM 0 HG2 PRO A 77 27.578 0.766 2.173 1.00 4.17 H new ATOM 0 HG3 PRO A 77 26.785 1.030 0.632 1.00 4.17 H new ATOM 0 HD2 PRO A 77 25.597 1.029 3.390 1.00 4.44 H new ATOM 0 HD3 PRO A 77 25.154 1.997 1.998 1.00 4.44 H new ATOM 1097 N PRO A 78 24.878 -3.560 0.948 1.00 5.63 N ATOM 1098 CA PRO A 78 24.482 -4.916 1.323 1.00 6.52 C ATOM 1099 C PRO A 78 25.138 -5.344 2.628 1.00 6.80 C ATOM 1100 O PRO A 78 26.356 -5.512 2.694 1.00 6.74 O ATOM 1101 CB PRO A 78 24.977 -5.778 0.157 1.00 7.14 C ATOM 1102 CG PRO A 78 26.048 -4.970 -0.476 1.00 6.55 C ATOM 1103 CD PRO A 78 25.622 -3.548 -0.324 1.00 5.69 C ATOM 0 HA PRO A 78 23.409 -5.004 1.491 1.00 6.52 H new ATOM 0 HB2 PRO A 78 25.358 -6.737 0.507 1.00 7.14 H new ATOM 0 HB3 PRO A 78 24.173 -5.992 -0.547 1.00 7.14 H new ATOM 0 HG2 PRO A 78 27.009 -5.145 0.008 1.00 6.55 H new ATOM 0 HG3 PRO A 78 26.168 -5.233 -1.527 1.00 6.55 H new ATOM 0 HD2 PRO A 78 26.477 -2.872 -0.286 1.00 5.69 H new ATOM 0 HD3 PRO A 78 24.996 -3.223 -1.155 1.00 5.69 H new ATOM 1111 N GLU A 79 24.320 -5.505 3.663 1.00 7.24 N ATOM 1112 CA GLU A 79 24.795 -5.900 4.978 1.00 7.85 C ATOM 1113 C GLU A 79 25.546 -7.216 4.902 1.00 8.62 C ATOM 1114 O GLU A 79 26.424 -7.479 5.713 1.00 8.98 O ATOM 1115 CB GLU A 79 23.622 -6.021 5.942 1.00 8.51 C ATOM 1116 CG GLU A 79 22.650 -7.122 5.571 1.00 9.18 C ATOM 1117 CD GLU A 79 21.355 -7.037 6.345 1.00 9.68 C ATOM 1118 OE1 GLU A 79 20.533 -6.146 6.041 1.00 9.76 O ATOM 1119 OE2 GLU A 79 21.159 -7.848 7.272 1.00 10.13 O ATOM 0 H GLU A 79 23.311 -5.365 3.611 1.00 7.24 H new ATOM 0 HA GLU A 79 25.478 -5.134 5.344 1.00 7.85 H new ATOM 0 HB2 GLU A 79 24.004 -6.207 6.946 1.00 8.51 H new ATOM 0 HB3 GLU A 79 23.088 -5.071 5.975 1.00 8.51 H new ATOM 0 HG2 GLU A 79 22.436 -7.068 4.504 1.00 9.18 H new ATOM 0 HG3 GLU A 79 23.116 -8.090 5.754 1.00 9.18 H new ATOM 1126 N GLU A 80 25.193 -8.034 3.921 1.00 9.00 N ATOM 1127 CA GLU A 80 25.918 -9.258 3.656 1.00 9.80 C ATOM 1128 C GLU A 80 27.372 -8.937 3.346 1.00 9.30 C ATOM 1129 O GLU A 80 28.287 -9.469 3.967 1.00 9.74 O ATOM 1130 CB GLU A 80 25.268 -10.002 2.486 1.00 10.33 C ATOM 1131 CG GLU A 80 26.237 -10.822 1.650 1.00 10.80 C ATOM 1132 CD GLU A 80 25.562 -11.522 0.492 1.00 11.40 C ATOM 1133 OE1 GLU A 80 25.309 -10.866 -0.539 1.00 11.61 O ATOM 1134 OE2 GLU A 80 25.271 -12.728 0.608 1.00 11.78 O ATOM 0 H GLU A 80 24.405 -7.867 3.296 1.00 9.00 H new ATOM 0 HA GLU A 80 25.884 -9.899 4.537 1.00 9.80 H new ATOM 0 HB2 GLU A 80 24.494 -10.663 2.876 1.00 10.33 H new ATOM 0 HB3 GLU A 80 24.773 -9.277 1.840 1.00 10.33 H new ATOM 0 HG2 GLU A 80 27.022 -10.170 1.267 1.00 10.80 H new ATOM 0 HG3 GLU A 80 26.721 -11.564 2.285 1.00 10.80 H new ATOM 1141 N ILE A 81 27.570 -8.029 2.407 1.00 8.42 N ATOM 1142 CA ILE A 81 28.898 -7.695 1.946 1.00 7.96 C ATOM 1143 C ILE A 81 29.643 -6.825 2.940 1.00 7.34 C ATOM 1144 O ILE A 81 30.827 -7.051 3.181 1.00 7.45 O ATOM 1145 CB ILE A 81 28.863 -6.996 0.586 1.00 7.44 C ATOM 1146 CG1 ILE A 81 28.341 -7.951 -0.479 1.00 8.39 C ATOM 1147 CG2 ILE A 81 30.248 -6.497 0.233 1.00 6.94 C ATOM 1148 CD1 ILE A 81 28.186 -7.311 -1.841 1.00 8.28 C ATOM 0 H ILE A 81 26.821 -7.509 1.949 1.00 8.42 H new ATOM 0 HA ILE A 81 29.431 -8.640 1.845 1.00 7.96 H new ATOM 0 HB ILE A 81 28.189 -6.141 0.635 1.00 7.44 H new ATOM 0 HG12 ILE A 81 29.021 -8.799 -0.560 1.00 8.39 H new ATOM 0 HG13 ILE A 81 27.376 -8.346 -0.160 1.00 8.39 H new ATOM 0 HG21 ILE A 81 30.219 -6.000 -0.736 1.00 6.94 H new ATOM 0 HG22 ILE A 81 30.585 -5.792 0.993 1.00 6.94 H new ATOM 0 HG23 ILE A 81 30.938 -7.340 0.188 1.00 6.94 H new ATOM 0 HD11 ILE A 81 27.810 -8.049 -2.549 1.00 8.28 H new ATOM 0 HD12 ILE A 81 27.483 -6.481 -1.775 1.00 8.28 H new ATOM 0 HD13 ILE A 81 29.153 -6.941 -2.181 1.00 8.28 H new ATOM 1160 N VAL A 82 28.968 -5.837 3.519 1.00 6.83 N ATOM 1161 CA VAL A 82 29.612 -4.991 4.507 1.00 6.55 C ATOM 1162 C VAL A 82 30.162 -5.875 5.619 1.00 7.54 C ATOM 1163 O VAL A 82 31.264 -5.656 6.114 1.00 7.57 O ATOM 1164 CB VAL A 82 28.661 -3.919 5.096 1.00 6.32 C ATOM 1165 CG1 VAL A 82 27.991 -3.113 3.996 1.00 5.50 C ATOM 1166 CG2 VAL A 82 27.620 -4.531 6.015 1.00 7.25 C ATOM 0 H VAL A 82 27.993 -5.608 3.324 1.00 6.83 H new ATOM 0 HA VAL A 82 30.416 -4.447 4.011 1.00 6.55 H new ATOM 0 HB VAL A 82 29.275 -3.244 5.692 1.00 6.32 H new ATOM 0 HG11 VAL A 82 27.330 -2.369 4.441 1.00 5.50 H new ATOM 0 HG12 VAL A 82 28.752 -2.611 3.398 1.00 5.50 H new ATOM 0 HG13 VAL A 82 27.410 -3.780 3.359 1.00 5.50 H new ATOM 0 HG21 VAL A 82 26.974 -3.746 6.407 1.00 7.25 H new ATOM 0 HG22 VAL A 82 27.020 -5.250 5.457 1.00 7.25 H new ATOM 0 HG23 VAL A 82 28.118 -5.037 6.842 1.00 7.25 H new ATOM 1176 N ALA A 83 29.380 -6.904 5.947 1.00 8.43 N ATOM 1177 CA ALA A 83 29.758 -7.925 6.904 1.00 9.53 C ATOM 1178 C ALA A 83 31.013 -8.648 6.448 1.00 9.70 C ATOM 1179 O ALA A 83 31.968 -8.786 7.206 1.00 10.09 O ATOM 1180 CB ALA A 83 28.617 -8.911 7.042 1.00 10.39 C ATOM 0 H ALA A 83 28.454 -7.047 5.545 1.00 8.43 H new ATOM 0 HA ALA A 83 29.966 -7.457 7.866 1.00 9.53 H new ATOM 0 HB1 ALA A 83 28.889 -9.685 7.760 1.00 10.39 H new ATOM 0 HB2 ALA A 83 27.726 -8.390 7.391 1.00 10.39 H new ATOM 0 HB3 ALA A 83 28.413 -9.369 6.074 1.00 10.39 H new ATOM 1186 N ILE A 84 31.004 -9.096 5.199 1.00 9.53 N ATOM 1187 CA ILE A 84 32.135 -9.814 4.625 1.00 9.80 C ATOM 1188 C ILE A 84 33.390 -8.953 4.660 1.00 9.04 C ATOM 1189 O ILE A 84 34.473 -9.423 5.003 1.00 9.43 O ATOM 1190 CB ILE A 84 31.837 -10.231 3.166 1.00 9.84 C ATOM 1191 CG1 ILE A 84 30.693 -11.246 3.139 1.00 10.78 C ATOM 1192 CG2 ILE A 84 33.084 -10.805 2.498 1.00 10.13 C ATOM 1193 CD1 ILE A 84 29.876 -11.207 1.872 1.00 10.71 C ATOM 0 H ILE A 84 30.219 -8.973 4.559 1.00 9.53 H new ATOM 0 HA ILE A 84 32.299 -10.710 5.223 1.00 9.80 H new ATOM 0 HB ILE A 84 31.536 -9.346 2.605 1.00 9.84 H new ATOM 0 HG12 ILE A 84 31.105 -12.247 3.264 1.00 10.78 H new ATOM 0 HG13 ILE A 84 30.037 -11.063 3.990 1.00 10.78 H new ATOM 0 HG21 ILE A 84 32.849 -11.091 1.473 1.00 10.13 H new ATOM 0 HG22 ILE A 84 33.873 -10.053 2.493 1.00 10.13 H new ATOM 0 HG23 ILE A 84 33.422 -11.682 3.051 1.00 10.13 H new ATOM 0 HD11 ILE A 84 29.084 -11.954 1.926 1.00 10.71 H new ATOM 0 HD12 ILE A 84 29.434 -10.218 1.755 1.00 10.71 H new ATOM 0 HD13 ILE A 84 30.519 -11.421 1.018 1.00 10.71 H new ATOM 1205 N ILE A 85 33.227 -7.684 4.330 1.00 8.01 N ATOM 1206 CA ILE A 85 34.335 -6.753 4.286 1.00 7.27 C ATOM 1207 C ILE A 85 34.930 -6.527 5.673 1.00 7.66 C ATOM 1208 O ILE A 85 36.148 -6.557 5.846 1.00 7.73 O ATOM 1209 CB ILE A 85 33.891 -5.415 3.686 1.00 6.22 C ATOM 1210 CG1 ILE A 85 33.362 -5.640 2.273 1.00 6.07 C ATOM 1211 CG2 ILE A 85 35.040 -4.423 3.690 1.00 5.61 C ATOM 1212 CD1 ILE A 85 32.714 -4.423 1.653 1.00 5.25 C ATOM 0 H ILE A 85 32.326 -7.273 4.086 1.00 8.01 H new ATOM 0 HA ILE A 85 35.105 -7.191 3.652 1.00 7.27 H new ATOM 0 HB ILE A 85 33.090 -4.995 4.295 1.00 6.22 H new ATOM 0 HG12 ILE A 85 34.185 -5.964 1.636 1.00 6.07 H new ATOM 0 HG13 ILE A 85 32.636 -6.453 2.294 1.00 6.07 H new ATOM 0 HG21 ILE A 85 34.707 -3.478 3.260 1.00 5.61 H new ATOM 0 HG22 ILE A 85 35.375 -4.258 4.714 1.00 5.61 H new ATOM 0 HG23 ILE A 85 35.865 -4.820 3.098 1.00 5.61 H new ATOM 0 HD11 ILE A 85 32.365 -4.668 0.650 1.00 5.25 H new ATOM 0 HD12 ILE A 85 31.868 -4.110 2.265 1.00 5.25 H new ATOM 0 HD13 ILE A 85 33.441 -3.613 1.597 1.00 5.25 H new ATOM 1224 N THR A 86 34.081 -6.311 6.666 1.00 8.07 N ATOM 1225 CA THR A 86 34.574 -6.156 8.026 1.00 8.77 C ATOM 1226 C THR A 86 35.075 -7.494 8.580 1.00 9.82 C ATOM 1227 O THR A 86 35.877 -7.528 9.514 1.00 10.38 O ATOM 1228 CB THR A 86 33.552 -5.484 8.987 1.00 9.14 C ATOM 1229 OG1 THR A 86 33.978 -5.597 10.349 1.00 10.16 O ATOM 1230 CG2 THR A 86 32.151 -6.041 8.837 1.00 9.36 C ATOM 0 H THR A 86 33.069 -6.240 6.561 1.00 8.07 H new ATOM 0 HA THR A 86 35.416 -5.466 7.970 1.00 8.77 H new ATOM 0 HB THR A 86 33.516 -4.431 8.706 1.00 9.14 H new ATOM 0 HG1 THR A 86 34.867 -5.196 10.448 1.00 10.16 H new ATOM 0 HG21 THR A 86 31.482 -5.534 9.532 1.00 9.36 H new ATOM 0 HG22 THR A 86 31.803 -5.881 7.817 1.00 9.36 H new ATOM 0 HG23 THR A 86 32.159 -7.109 9.054 1.00 9.36 H new ATOM 1238 N SER A 87 34.626 -8.598 7.984 1.00 10.16 N ATOM 1239 CA SER A 87 35.168 -9.912 8.316 1.00 11.17 C ATOM 1240 C SER A 87 36.535 -10.108 7.656 1.00 10.93 C ATOM 1241 O SER A 87 37.325 -10.948 8.077 1.00 11.68 O ATOM 1242 CB SER A 87 34.206 -11.019 7.882 1.00 11.77 C ATOM 1243 OG SER A 87 32.940 -10.853 8.499 1.00 12.35 O ATOM 0 H SER A 87 33.894 -8.608 7.274 1.00 10.16 H new ATOM 0 HA SER A 87 35.291 -9.968 9.398 1.00 11.17 H new ATOM 0 HB2 SER A 87 34.093 -11.005 6.798 1.00 11.77 H new ATOM 0 HB3 SER A 87 34.620 -11.992 8.146 1.00 11.77 H new ATOM 0 HG SER A 87 32.475 -10.093 8.092 1.00 12.35 H new ATOM 1249 N MET A 88 36.798 -9.332 6.604 1.00 9.91 N ATOM 1250 CA MET A 88 38.116 -9.303 5.968 1.00 9.62 C ATOM 1251 C MET A 88 39.113 -8.597 6.878 1.00 9.52 C ATOM 1252 O MET A 88 40.327 -8.774 6.762 1.00 9.66 O ATOM 1253 CB MET A 88 38.055 -8.566 4.629 1.00 8.63 C ATOM 1254 CG MET A 88 37.309 -9.306 3.532 1.00 8.93 C ATOM 1255 SD MET A 88 38.088 -10.867 3.086 1.00 10.15 S ATOM 1256 CE MET A 88 37.002 -11.419 1.772 1.00 10.33 C ATOM 0 H MET A 88 36.112 -8.712 6.172 1.00 9.91 H new ATOM 0 HA MET A 88 38.434 -10.331 5.794 1.00 9.62 H new ATOM 0 HB2 MET A 88 37.579 -7.598 4.784 1.00 8.63 H new ATOM 0 HB3 MET A 88 39.072 -8.371 4.290 1.00 8.63 H new ATOM 0 HG2 MET A 88 36.287 -9.496 3.859 1.00 8.93 H new ATOM 0 HG3 MET A 88 37.248 -8.671 2.648 1.00 8.93 H new ATOM 0 HE1 MET A 88 37.352 -12.378 1.389 1.00 10.33 H new ATOM 0 HE2 MET A 88 35.989 -11.531 2.160 1.00 10.33 H new ATOM 0 HE3 MET A 88 37.003 -10.685 0.967 1.00 10.33 H new ATOM 1266 N GLY A 89 38.580 -7.775 7.767 1.00 9.41 N ATOM 1267 CA GLY A 89 39.402 -7.046 8.705 1.00 9.53 C ATOM 1268 C GLY A 89 39.134 -5.560 8.646 1.00 8.82 C ATOM 1269 O GLY A 89 39.690 -4.787 9.421 1.00 9.04 O ATOM 0 H GLY A 89 37.579 -7.599 7.855 1.00 9.41 H new ATOM 0 HA2 GLY A 89 39.212 -7.410 9.715 1.00 9.53 H new ATOM 0 HA3 GLY A 89 40.454 -7.235 8.490 1.00 9.53 H new ATOM 1273 N PHE A 90 38.268 -5.166 7.726 1.00 8.10 N ATOM 1274 CA PHE A 90 37.932 -3.765 7.540 1.00 7.50 C ATOM 1275 C PHE A 90 36.794 -3.362 8.469 1.00 8.05 C ATOM 1276 O PHE A 90 36.322 -4.166 9.273 1.00 8.89 O ATOM 1277 CB PHE A 90 37.564 -3.519 6.072 1.00 6.45 C ATOM 1278 CG PHE A 90 38.692 -3.849 5.134 1.00 6.07 C ATOM 1279 CD1 PHE A 90 39.950 -3.299 5.323 1.00 6.07 C ATOM 1280 CD2 PHE A 90 38.503 -4.723 4.077 1.00 5.98 C ATOM 1281 CE1 PHE A 90 40.995 -3.611 4.473 1.00 5.89 C ATOM 1282 CE2 PHE A 90 39.544 -5.039 3.225 1.00 5.84 C ATOM 1283 CZ PHE A 90 40.791 -4.483 3.424 1.00 5.76 C ATOM 0 H PHE A 90 37.783 -5.802 7.093 1.00 8.10 H new ATOM 0 HA PHE A 90 38.795 -3.149 7.791 1.00 7.50 H new ATOM 0 HB2 PHE A 90 36.693 -4.120 5.813 1.00 6.45 H new ATOM 0 HB3 PHE A 90 37.281 -2.475 5.942 1.00 6.45 H new ATOM 0 HD1 PHE A 90 40.116 -2.618 6.145 1.00 6.07 H new ATOM 0 HD2 PHE A 90 37.530 -5.163 3.916 1.00 5.98 H new ATOM 0 HE1 PHE A 90 41.969 -3.173 4.630 1.00 5.89 H new ATOM 0 HE2 PHE A 90 39.382 -5.721 2.404 1.00 5.84 H new ATOM 0 HZ PHE A 90 41.606 -4.730 2.760 1.00 5.76 H new ATOM 1293 N GLN A 91 36.381 -2.113 8.383 1.00 7.71 N ATOM 1294 CA GLN A 91 35.276 -1.616 9.179 1.00 8.28 C ATOM 1295 C GLN A 91 33.967 -1.803 8.412 1.00 7.66 C ATOM 1296 O GLN A 91 33.946 -1.636 7.197 1.00 6.72 O ATOM 1297 CB GLN A 91 35.520 -0.137 9.507 1.00 8.59 C ATOM 1298 CG GLN A 91 34.371 0.556 10.209 1.00 9.30 C ATOM 1299 CD GLN A 91 34.646 2.030 10.460 1.00 9.79 C ATOM 1300 OE1 GLN A 91 34.322 2.872 9.491 1.00 10.05 O flip ATOM 1301 NE2 GLN A 91 35.158 2.408 11.512 1.00 10.16 N flip ATOM 0 H GLN A 91 36.798 -1.418 7.764 1.00 7.71 H new ATOM 0 HA GLN A 91 35.204 -2.173 10.113 1.00 8.28 H new ATOM 0 HB2 GLN A 91 36.409 -0.060 10.133 1.00 8.59 H new ATOM 0 HB3 GLN A 91 35.735 0.395 8.581 1.00 8.59 H new ATOM 0 HG2 GLN A 91 33.468 0.456 9.607 1.00 9.30 H new ATOM 0 HG3 GLN A 91 34.177 0.059 11.159 1.00 9.30 H new ATOM 0 HE21 GLN A 91 35.394 1.730 12.237 1.00 10.16 H new ATOM 0 HE22 GLN A 91 35.346 3.399 11.660 1.00 10.16 H new ATOM 1310 N ARG A 92 32.890 -2.166 9.104 1.00 8.25 N ATOM 1311 CA ARG A 92 31.586 -2.340 8.457 1.00 7.79 C ATOM 1312 C ARG A 92 31.180 -1.066 7.735 1.00 7.08 C ATOM 1313 O ARG A 92 30.845 -1.089 6.558 1.00 6.21 O ATOM 1314 CB ARG A 92 30.510 -2.679 9.476 1.00 8.69 C ATOM 1315 CG ARG A 92 29.152 -2.894 8.834 1.00 8.30 C ATOM 1316 CD ARG A 92 28.025 -2.487 9.756 1.00 8.98 C ATOM 1317 NE ARG A 92 27.984 -3.291 10.977 1.00 10.14 N ATOM 1318 CZ ARG A 92 26.947 -3.327 11.813 1.00 10.93 C ATOM 1319 NH1 ARG A 92 25.848 -2.626 11.545 1.00 10.74 N ATOM 1320 NH2 ARG A 92 27.010 -4.060 12.920 1.00 11.98 N ATOM 0 H ARG A 92 32.891 -2.345 10.108 1.00 8.25 H new ATOM 0 HA ARG A 92 31.682 -3.160 7.746 1.00 7.79 H new ATOM 0 HB2 ARG A 92 30.799 -3.579 10.019 1.00 8.69 H new ATOM 0 HB3 ARG A 92 30.440 -1.874 10.207 1.00 8.69 H new ATOM 0 HG2 ARG A 92 29.092 -2.319 7.910 1.00 8.30 H new ATOM 0 HG3 ARG A 92 29.040 -3.944 8.564 1.00 8.30 H new ATOM 0 HD2 ARG A 92 28.138 -1.436 10.020 1.00 8.98 H new ATOM 0 HD3 ARG A 92 27.076 -2.583 9.229 1.00 8.98 H new ATOM 0 HE ARG A 92 28.800 -3.860 11.203 1.00 10.14 H new ATOM 0 HH11 ARG A 92 25.798 -2.060 10.698 1.00 10.74 H new ATOM 0 HH12 ARG A 92 25.055 -2.655 12.186 1.00 10.74 H new ATOM 0 HH21 ARG A 92 27.852 -4.595 13.130 1.00 11.98 H new ATOM 0 HH22 ARG A 92 26.216 -4.087 13.560 1.00 11.98 H new ATOM 1334 N ASN A 93 31.209 0.041 8.458 1.00 7.66 N ATOM 1335 CA ASN A 93 30.872 1.343 7.887 1.00 7.40 C ATOM 1336 C ASN A 93 31.820 1.700 6.747 1.00 6.66 C ATOM 1337 O ASN A 93 31.427 2.328 5.766 1.00 6.20 O ATOM 1338 CB ASN A 93 30.935 2.414 8.963 1.00 8.50 C ATOM 1339 CG ASN A 93 30.618 3.797 8.426 1.00 8.62 C ATOM 1340 OD1 ASN A 93 31.515 4.546 8.040 1.00 8.59 O ATOM 1341 ND2 ASN A 93 29.342 4.140 8.380 1.00 9.02 N ATOM 0 H ASN A 93 31.463 0.068 9.446 1.00 7.66 H new ATOM 0 HA ASN A 93 29.859 1.289 7.489 1.00 7.40 H new ATOM 0 HB2 ASN A 93 30.232 2.167 9.759 1.00 8.50 H new ATOM 0 HB3 ASN A 93 31.930 2.420 9.407 1.00 8.50 H new ATOM 0 HD21 ASN A 93 29.072 5.053 8.015 1.00 9.02 H new ATOM 0 HD22 ASN A 93 28.627 3.491 8.710 1.00 9.02 H new ATOM 1348 N GLN A 94 33.066 1.282 6.889 1.00 6.68 N ATOM 1349 CA GLN A 94 34.070 1.477 5.851 1.00 6.08 C ATOM 1350 C GLN A 94 33.698 0.653 4.629 1.00 5.11 C ATOM 1351 O GLN A 94 33.841 1.097 3.490 1.00 4.70 O ATOM 1352 CB GLN A 94 35.443 1.085 6.395 1.00 6.39 C ATOM 1353 CG GLN A 94 36.473 0.713 5.344 1.00 5.72 C ATOM 1354 CD GLN A 94 37.863 0.626 5.931 1.00 6.13 C ATOM 1355 OE1 GLN A 94 38.280 -0.428 6.408 1.00 6.28 O ATOM 1356 NE2 GLN A 94 38.582 1.736 5.911 1.00 6.56 N ATOM 0 H GLN A 94 33.411 0.801 7.720 1.00 6.68 H new ATOM 0 HA GLN A 94 34.109 2.525 5.554 1.00 6.08 H new ATOM 0 HB2 GLN A 94 35.833 1.915 6.985 1.00 6.39 H new ATOM 0 HB3 GLN A 94 35.320 0.241 7.074 1.00 6.39 H new ATOM 0 HG2 GLN A 94 36.206 -0.244 4.896 1.00 5.72 H new ATOM 0 HG3 GLN A 94 36.461 1.454 4.544 1.00 5.72 H new ATOM 0 HE21 GLN A 94 38.194 2.587 5.505 1.00 6.56 H new ATOM 0 HE22 GLN A 94 39.524 1.741 6.302 1.00 6.56 H new ATOM 1365 N ALA A 95 33.199 -0.544 4.886 1.00 5.10 N ATOM 1366 CA ALA A 95 32.662 -1.396 3.850 1.00 4.58 C ATOM 1367 C ALA A 95 31.464 -0.730 3.190 1.00 4.24 C ATOM 1368 O ALA A 95 31.316 -0.766 1.971 1.00 3.93 O ATOM 1369 CB ALA A 95 32.268 -2.728 4.452 1.00 5.22 C ATOM 0 H ALA A 95 33.157 -0.949 5.821 1.00 5.10 H new ATOM 0 HA ALA A 95 33.421 -1.562 3.086 1.00 4.58 H new ATOM 0 HB1 ALA A 95 31.862 -3.374 3.673 1.00 5.22 H new ATOM 0 HB2 ALA A 95 33.145 -3.201 4.895 1.00 5.22 H new ATOM 0 HB3 ALA A 95 31.513 -2.570 5.222 1.00 5.22 H new ATOM 1375 N ILE A 96 30.618 -0.111 4.011 1.00 4.61 N ATOM 1376 CA ILE A 96 29.482 0.647 3.512 1.00 4.48 C ATOM 1377 C ILE A 96 29.952 1.760 2.584 1.00 4.45 C ATOM 1378 O ILE A 96 29.481 1.877 1.455 1.00 4.33 O ATOM 1379 CB ILE A 96 28.641 1.250 4.665 1.00 5.19 C ATOM 1380 CG1 ILE A 96 27.656 0.216 5.198 1.00 5.44 C ATOM 1381 CG2 ILE A 96 27.899 2.494 4.208 1.00 5.34 C ATOM 1382 CD1 ILE A 96 27.843 -0.095 6.661 1.00 6.39 C ATOM 0 H ILE A 96 30.702 -0.122 5.027 1.00 4.61 H new ATOM 0 HA ILE A 96 28.849 -0.046 2.958 1.00 4.48 H new ATOM 0 HB ILE A 96 29.323 1.536 5.466 1.00 5.19 H new ATOM 0 HG12 ILE A 96 26.640 0.578 5.039 1.00 5.44 H new ATOM 0 HG13 ILE A 96 27.761 -0.704 4.623 1.00 5.44 H new ATOM 0 HG21 ILE A 96 27.317 2.896 5.037 1.00 5.34 H new ATOM 0 HG22 ILE A 96 28.616 3.243 3.872 1.00 5.34 H new ATOM 0 HG23 ILE A 96 27.230 2.238 3.386 1.00 5.34 H new ATOM 0 HD11 ILE A 96 27.108 -0.838 6.972 1.00 6.39 H new ATOM 0 HD12 ILE A 96 28.847 -0.487 6.824 1.00 6.39 H new ATOM 0 HD13 ILE A 96 27.709 0.815 7.246 1.00 6.39 H new ATOM 1394 N GLN A 97 30.893 2.559 3.068 1.00 4.95 N ATOM 1395 CA GLN A 97 31.463 3.650 2.285 1.00 5.42 C ATOM 1396 C GLN A 97 31.990 3.140 0.957 1.00 5.09 C ATOM 1397 O GLN A 97 31.707 3.704 -0.103 1.00 5.57 O ATOM 1398 CB GLN A 97 32.595 4.314 3.051 1.00 6.13 C ATOM 1399 CG GLN A 97 33.280 5.420 2.276 1.00 6.88 C ATOM 1400 CD GLN A 97 34.263 6.198 3.123 1.00 7.78 C ATOM 1401 OE1 GLN A 97 34.863 5.662 4.055 1.00 8.13 O ATOM 1402 NE2 GLN A 97 34.434 7.468 2.803 1.00 8.36 N ATOM 0 H GLN A 97 31.281 2.472 4.007 1.00 4.95 H new ATOM 0 HA GLN A 97 30.673 4.378 2.099 1.00 5.42 H new ATOM 0 HB2 GLN A 97 32.203 4.723 3.982 1.00 6.13 H new ATOM 0 HB3 GLN A 97 33.333 3.559 3.320 1.00 6.13 H new ATOM 0 HG2 GLN A 97 33.802 4.990 1.421 1.00 6.88 H new ATOM 0 HG3 GLN A 97 32.527 6.102 1.880 1.00 6.88 H new ATOM 0 HE21 GLN A 97 33.916 7.872 2.023 1.00 8.36 H new ATOM 0 HE22 GLN A 97 35.084 8.045 3.336 1.00 8.36 H new ATOM 1411 N ALA A 98 32.748 2.062 1.030 1.00 4.57 N ATOM 1412 CA ALA A 98 33.332 1.460 -0.146 1.00 4.55 C ATOM 1413 C ALA A 98 32.246 1.028 -1.122 1.00 4.70 C ATOM 1414 O ALA A 98 32.254 1.431 -2.280 1.00 5.41 O ATOM 1415 CB ALA A 98 34.202 0.285 0.253 1.00 4.17 C ATOM 0 H ALA A 98 32.973 1.584 1.902 1.00 4.57 H new ATOM 0 HA ALA A 98 33.957 2.199 -0.648 1.00 4.55 H new ATOM 0 HB1 ALA A 98 34.639 -0.164 -0.639 1.00 4.17 H new ATOM 0 HB2 ALA A 98 34.998 0.629 0.913 1.00 4.17 H new ATOM 0 HB3 ALA A 98 33.596 -0.457 0.772 1.00 4.17 H new ATOM 1421 N LEU A 99 31.285 0.245 -0.636 1.00 4.31 N ATOM 1422 CA LEU A 99 30.196 -0.239 -1.476 1.00 4.67 C ATOM 1423 C LEU A 99 29.371 0.914 -2.034 1.00 5.10 C ATOM 1424 O LEU A 99 28.805 0.807 -3.113 1.00 5.77 O ATOM 1425 CB LEU A 99 29.285 -1.176 -0.697 1.00 4.44 C ATOM 1426 CG LEU A 99 29.933 -2.460 -0.198 1.00 4.61 C ATOM 1427 CD1 LEU A 99 29.026 -3.146 0.790 1.00 4.82 C ATOM 1428 CD2 LEU A 99 30.233 -3.390 -1.353 1.00 5.40 C ATOM 0 H LEU A 99 31.240 -0.067 0.334 1.00 4.31 H new ATOM 0 HA LEU A 99 30.648 -0.782 -2.306 1.00 4.67 H new ATOM 0 HB2 LEU A 99 28.885 -0.635 0.161 1.00 4.44 H new ATOM 0 HB3 LEU A 99 28.438 -1.440 -1.330 1.00 4.44 H new ATOM 0 HG LEU A 99 30.871 -2.204 0.294 1.00 4.61 H new ATOM 0 HD11 LEU A 99 29.498 -4.063 1.141 1.00 4.82 H new ATOM 0 HD12 LEU A 99 28.844 -2.484 1.637 1.00 4.82 H new ATOM 0 HD13 LEU A 99 28.079 -3.387 0.308 1.00 4.82 H new ATOM 0 HD21 LEU A 99 30.696 -4.302 -0.975 1.00 5.40 H new ATOM 0 HD22 LEU A 99 29.306 -3.640 -1.869 1.00 5.40 H new ATOM 0 HD23 LEU A 99 30.914 -2.899 -2.048 1.00 5.40 H new ATOM 1440 N ARG A 100 29.284 2.007 -1.287 1.00 5.01 N ATOM 1441 CA ARG A 100 28.613 3.209 -1.777 1.00 5.73 C ATOM 1442 C ARG A 100 29.248 3.657 -3.082 1.00 6.63 C ATOM 1443 O ARG A 100 28.564 3.915 -4.075 1.00 7.33 O ATOM 1444 CB ARG A 100 28.709 4.338 -0.755 1.00 5.96 C ATOM 1445 CG ARG A 100 27.730 4.211 0.396 1.00 5.58 C ATOM 1446 CD ARG A 100 28.070 5.186 1.505 1.00 6.19 C ATOM 1447 NE ARG A 100 27.001 5.282 2.498 1.00 6.32 N ATOM 1448 CZ ARG A 100 27.151 5.794 3.721 1.00 7.08 C ATOM 1449 NH1 ARG A 100 28.329 6.275 4.108 1.00 7.71 N ATOM 1450 NH2 ARG A 100 26.117 5.831 4.557 1.00 7.36 N ATOM 0 H ARG A 100 29.666 2.088 -0.345 1.00 5.01 H new ATOM 0 HA ARG A 100 27.562 2.972 -1.940 1.00 5.73 H new ATOM 0 HB2 ARG A 100 29.723 4.367 -0.355 1.00 5.96 H new ATOM 0 HB3 ARG A 100 28.538 5.288 -1.261 1.00 5.96 H new ATOM 0 HG2 ARG A 100 26.717 4.398 0.040 1.00 5.58 H new ATOM 0 HG3 ARG A 100 27.748 3.192 0.784 1.00 5.58 H new ATOM 0 HD2 ARG A 100 28.992 4.871 1.994 1.00 6.19 H new ATOM 0 HD3 ARG A 100 28.257 6.171 1.077 1.00 6.19 H new ATOM 0 HE ARG A 100 26.078 4.934 2.238 1.00 6.32 H new ATOM 0 HH11 ARG A 100 29.124 6.254 3.469 1.00 7.71 H new ATOM 0 HH12 ARG A 100 28.438 6.665 5.044 1.00 7.71 H new ATOM 0 HH21 ARG A 100 25.210 5.468 4.263 1.00 7.36 H new ATOM 0 HH22 ARG A 100 26.231 6.222 5.492 1.00 7.36 H new ATOM 1464 N ALA A 101 30.567 3.715 -3.068 1.00 6.70 N ATOM 1465 CA ALA A 101 31.344 4.121 -4.227 1.00 7.62 C ATOM 1466 C ALA A 101 31.332 3.048 -5.318 1.00 7.91 C ATOM 1467 O ALA A 101 31.207 3.359 -6.503 1.00 8.88 O ATOM 1468 CB ALA A 101 32.766 4.419 -3.784 1.00 7.61 C ATOM 0 H ALA A 101 31.132 3.482 -2.251 1.00 6.70 H new ATOM 0 HA ALA A 101 30.895 5.016 -4.656 1.00 7.62 H new ATOM 0 HB1 ALA A 101 33.359 4.725 -4.646 1.00 7.61 H new ATOM 0 HB2 ALA A 101 32.757 5.222 -3.047 1.00 7.61 H new ATOM 0 HB3 ALA A 101 33.204 3.525 -3.341 1.00 7.61 H new ATOM 1474 N THR A 102 31.451 1.790 -4.915 1.00 7.24 N ATOM 1475 CA THR A 102 31.557 0.681 -5.857 1.00 7.76 C ATOM 1476 C THR A 102 30.198 0.241 -6.390 1.00 8.12 C ATOM 1477 O THR A 102 30.124 -0.585 -7.297 1.00 8.79 O ATOM 1478 CB THR A 102 32.248 -0.514 -5.188 1.00 7.19 C ATOM 1479 OG1 THR A 102 31.375 -1.131 -4.231 1.00 6.44 O ATOM 1480 CG2 THR A 102 33.498 -0.032 -4.485 1.00 6.79 C ATOM 0 H THR A 102 31.477 1.510 -3.935 1.00 7.24 H new ATOM 0 HA THR A 102 32.149 1.035 -6.701 1.00 7.76 H new ATOM 0 HB THR A 102 32.504 -1.248 -5.952 1.00 7.19 H new ATOM 0 HG1 THR A 102 31.600 -2.081 -4.147 1.00 6.44 H new ATOM 0 HG21 THR A 102 33.995 -0.876 -4.007 1.00 6.79 H new ATOM 0 HG22 THR A 102 34.172 0.422 -5.212 1.00 6.79 H new ATOM 0 HG23 THR A 102 33.229 0.706 -3.729 1.00 6.79 H new ATOM 1488 N ASN A 103 29.138 0.810 -5.816 1.00 7.78 N ATOM 1489 CA ASN A 103 27.757 0.435 -6.125 1.00 8.03 C ATOM 1490 C ASN A 103 27.493 -0.997 -5.687 1.00 7.69 C ATOM 1491 O ASN A 103 27.237 -1.880 -6.498 1.00 8.43 O ATOM 1492 CB ASN A 103 27.440 0.618 -7.604 1.00 9.26 C ATOM 1493 CG ASN A 103 25.965 0.415 -7.919 1.00 9.66 C ATOM 1494 OD1 ASN A 103 25.088 0.844 -7.018 1.00 10.09 O flip ATOM 1495 ND2 ASN A 103 25.617 -0.101 -8.983 1.00 9.74 N flip ATOM 0 H ASN A 103 29.214 1.550 -5.118 1.00 7.78 H new ATOM 0 HA ASN A 103 27.096 1.101 -5.570 1.00 8.03 H new ATOM 0 HB2 ASN A 103 27.739 1.619 -7.914 1.00 9.26 H new ATOM 0 HB3 ASN A 103 28.032 -0.087 -8.188 1.00 9.26 H new ATOM 0 HD21 ASN A 103 26.320 -0.418 -9.650 1.00 9.74 H new ATOM 0 HD22 ASN A 103 24.626 -0.211 -9.196 1.00 9.74 H new ATOM 1502 N ASN A 104 27.598 -1.189 -4.380 1.00 6.74 N ATOM 1503 CA ASN A 104 27.413 -2.484 -3.704 1.00 6.57 C ATOM 1504 C ASN A 104 28.223 -3.609 -4.358 1.00 7.31 C ATOM 1505 O ASN A 104 27.851 -4.781 -4.294 1.00 7.80 O ATOM 1506 CB ASN A 104 25.923 -2.877 -3.570 1.00 6.81 C ATOM 1507 CG ASN A 104 25.198 -3.116 -4.884 1.00 7.28 C ATOM 1508 OD1 ASN A 104 24.544 -2.218 -5.418 1.00 7.71 O ATOM 1509 ND2 ASN A 104 25.300 -4.327 -5.409 1.00 7.45 N ATOM 0 H ASN A 104 27.820 -0.432 -3.734 1.00 6.74 H new ATOM 0 HA ASN A 104 27.803 -2.347 -2.696 1.00 6.57 H new ATOM 0 HB2 ASN A 104 25.855 -3.782 -2.966 1.00 6.81 H new ATOM 0 HB3 ASN A 104 25.403 -2.089 -3.024 1.00 6.81 H new ATOM 0 HD21 ASN A 104 24.827 -4.544 -6.287 1.00 7.45 H new ATOM 0 HD22 ASN A 104 25.851 -5.043 -4.936 1.00 7.45 H new ATOM 1516 N ASN A 105 29.347 -3.246 -4.963 1.00 7.54 N ATOM 1517 CA ASN A 105 30.280 -4.230 -5.504 1.00 8.24 C ATOM 1518 C ASN A 105 31.273 -4.621 -4.422 1.00 7.62 C ATOM 1519 O ASN A 105 32.111 -3.818 -4.012 1.00 6.99 O ATOM 1520 CB ASN A 105 31.029 -3.676 -6.726 1.00 8.91 C ATOM 1521 CG ASN A 105 30.205 -3.696 -8.008 1.00 9.80 C ATOM 1522 OD1 ASN A 105 30.739 -3.918 -9.091 1.00 10.00 O ATOM 1523 ND2 ASN A 105 28.910 -3.449 -7.904 1.00 10.49 N ATOM 0 H ASN A 105 29.636 -2.276 -5.092 1.00 7.54 H new ATOM 0 HA ASN A 105 29.715 -5.105 -5.827 1.00 8.24 H new ATOM 0 HB2 ASN A 105 31.338 -2.651 -6.519 1.00 8.91 H new ATOM 0 HB3 ASN A 105 31.938 -4.258 -6.879 1.00 8.91 H new ATOM 0 HD21 ASN A 105 28.324 -3.439 -8.739 1.00 10.49 H new ATOM 0 HD22 ASN A 105 28.497 -3.268 -6.989 1.00 10.49 H new ATOM 1530 N LEU A 106 31.144 -5.863 -3.960 1.00 7.99 N ATOM 1531 CA LEU A 106 31.932 -6.400 -2.850 1.00 7.70 C ATOM 1532 C LEU A 106 33.427 -6.292 -3.104 1.00 7.69 C ATOM 1533 O LEU A 106 34.156 -5.660 -2.344 1.00 6.94 O ATOM 1534 CB LEU A 106 31.543 -7.872 -2.644 1.00 8.64 C ATOM 1535 CG LEU A 106 32.311 -8.647 -1.565 1.00 8.79 C ATOM 1536 CD1 LEU A 106 31.415 -9.709 -0.959 1.00 9.54 C ATOM 1537 CD2 LEU A 106 33.551 -9.302 -2.141 1.00 9.40 C ATOM 0 H LEU A 106 30.482 -6.534 -4.350 1.00 7.99 H new ATOM 0 HA LEU A 106 31.716 -5.813 -1.957 1.00 7.70 H new ATOM 0 HB2 LEU A 106 30.481 -7.912 -2.400 1.00 8.64 H new ATOM 0 HB3 LEU A 106 31.672 -8.393 -3.593 1.00 8.64 H new ATOM 0 HG LEU A 106 32.619 -7.940 -0.795 1.00 8.79 H new ATOM 0 HD11 LEU A 106 31.965 -10.256 -0.194 1.00 9.54 H new ATOM 0 HD12 LEU A 106 30.542 -9.235 -0.510 1.00 9.54 H new ATOM 0 HD13 LEU A 106 31.092 -10.400 -1.738 1.00 9.54 H new ATOM 0 HD21 LEU A 106 34.075 -9.844 -1.354 1.00 9.40 H new ATOM 0 HD22 LEU A 106 33.262 -9.997 -2.930 1.00 9.40 H new ATOM 0 HD23 LEU A 106 34.208 -8.537 -2.554 1.00 9.40 H new ATOM 1549 N GLU A 107 33.871 -6.951 -4.159 1.00 8.63 N ATOM 1550 CA GLU A 107 35.285 -6.966 -4.527 1.00 8.84 C ATOM 1551 C GLU A 107 35.819 -5.553 -4.709 1.00 8.19 C ATOM 1552 O GLU A 107 36.879 -5.214 -4.191 1.00 7.74 O ATOM 1553 CB GLU A 107 35.491 -7.765 -5.808 1.00 10.06 C ATOM 1554 CG GLU A 107 35.161 -9.238 -5.667 1.00 10.88 C ATOM 1555 CD GLU A 107 36.287 -10.041 -5.044 1.00 11.25 C ATOM 1556 OE1 GLU A 107 37.302 -10.284 -5.738 1.00 11.82 O ATOM 1557 OE2 GLU A 107 36.161 -10.457 -3.876 1.00 11.09 O ATOM 0 H GLU A 107 33.271 -7.489 -4.784 1.00 8.63 H new ATOM 0 HA GLU A 107 35.837 -7.441 -3.716 1.00 8.84 H new ATOM 0 HB2 GLU A 107 34.872 -7.337 -6.596 1.00 10.06 H new ATOM 0 HB3 GLU A 107 36.528 -7.663 -6.127 1.00 10.06 H new ATOM 0 HG2 GLU A 107 34.264 -9.347 -5.057 1.00 10.88 H new ATOM 0 HG3 GLU A 107 34.930 -9.649 -6.650 1.00 10.88 H new ATOM 1564 N ARG A 108 35.079 -4.729 -5.435 1.00 8.29 N ATOM 1565 CA ARG A 108 35.497 -3.360 -5.683 1.00 8.02 C ATOM 1566 C ARG A 108 35.499 -2.556 -4.394 1.00 6.88 C ATOM 1567 O ARG A 108 36.239 -1.590 -4.266 1.00 6.69 O ATOM 1568 CB ARG A 108 34.576 -2.683 -6.686 1.00 8.62 C ATOM 1569 CG ARG A 108 35.138 -1.402 -7.268 1.00 8.99 C ATOM 1570 CD ARG A 108 34.140 -0.786 -8.218 1.00 9.70 C ATOM 1571 NE ARG A 108 34.059 -1.532 -9.473 1.00 10.72 N ATOM 1572 CZ ARG A 108 32.937 -1.724 -10.165 1.00 11.45 C ATOM 1573 NH1 ARG A 108 31.783 -1.229 -9.732 1.00 11.31 N ATOM 1574 NH2 ARG A 108 32.961 -2.418 -11.294 1.00 12.41 N ATOM 0 H ARG A 108 34.188 -4.985 -5.861 1.00 8.29 H new ATOM 0 HA ARG A 108 36.507 -3.396 -6.090 1.00 8.02 H new ATOM 0 HB2 ARG A 108 34.366 -3.378 -7.499 1.00 8.62 H new ATOM 0 HB3 ARG A 108 33.625 -2.464 -6.201 1.00 8.62 H new ATOM 0 HG2 ARG A 108 35.371 -0.700 -6.467 1.00 8.99 H new ATOM 0 HG3 ARG A 108 36.071 -1.609 -7.792 1.00 8.99 H new ATOM 0 HD2 ARG A 108 33.158 -0.758 -7.747 1.00 9.70 H new ATOM 0 HD3 ARG A 108 34.423 0.246 -8.425 1.00 9.70 H new ATOM 0 HE ARG A 108 34.920 -1.933 -9.844 1.00 10.72 H new ATOM 0 HH11 ARG A 108 31.751 -0.697 -8.863 1.00 11.31 H new ATOM 0 HH12 ARG A 108 30.929 -1.381 -10.269 1.00 11.31 H new ATOM 0 HH21 ARG A 108 33.840 -2.807 -11.635 1.00 12.41 H new ATOM 0 HH22 ARG A 108 32.100 -2.563 -11.822 1.00 12.41 H new ATOM 1588 N ALA A 109 34.643 -2.927 -3.453 1.00 6.30 N ATOM 1589 CA ALA A 109 34.608 -2.257 -2.172 1.00 5.34 C ATOM 1590 C ALA A 109 35.925 -2.472 -1.458 1.00 5.09 C ATOM 1591 O ALA A 109 36.562 -1.530 -1.009 1.00 4.76 O ATOM 1592 CB ALA A 109 33.461 -2.768 -1.320 1.00 5.03 C ATOM 0 H ALA A 109 33.969 -3.685 -3.556 1.00 6.30 H new ATOM 0 HA ALA A 109 34.451 -1.191 -2.339 1.00 5.34 H new ATOM 0 HB1 ALA A 109 33.459 -2.247 -0.363 1.00 5.03 H new ATOM 0 HB2 ALA A 109 32.517 -2.587 -1.834 1.00 5.03 H new ATOM 0 HB3 ALA A 109 33.582 -3.838 -1.151 1.00 5.03 H new ATOM 1598 N LEU A 110 36.328 -3.730 -1.387 1.00 5.51 N ATOM 1599 CA LEU A 110 37.614 -4.103 -0.826 1.00 5.52 C ATOM 1600 C LEU A 110 38.729 -3.440 -1.619 1.00 5.67 C ATOM 1601 O LEU A 110 39.717 -2.987 -1.062 1.00 5.40 O ATOM 1602 CB LEU A 110 37.763 -5.615 -0.879 1.00 6.35 C ATOM 1603 CG LEU A 110 36.632 -6.384 -0.211 1.00 6.65 C ATOM 1604 CD1 LEU A 110 36.625 -7.821 -0.689 1.00 7.78 C ATOM 1605 CD2 LEU A 110 36.775 -6.319 1.296 1.00 6.44 C ATOM 0 H LEU A 110 35.773 -4.520 -1.716 1.00 5.51 H new ATOM 0 HA LEU A 110 37.674 -3.771 0.211 1.00 5.52 H new ATOM 0 HB2 LEU A 110 37.830 -5.925 -1.922 1.00 6.35 H new ATOM 0 HB3 LEU A 110 38.704 -5.892 -0.404 1.00 6.35 H new ATOM 0 HG LEU A 110 35.681 -5.927 -0.485 1.00 6.65 H new ATOM 0 HD11 LEU A 110 35.812 -8.362 -0.205 1.00 7.78 H new ATOM 0 HD12 LEU A 110 36.483 -7.844 -1.769 1.00 7.78 H new ATOM 0 HD13 LEU A 110 37.575 -8.293 -0.437 1.00 7.78 H new ATOM 0 HD21 LEU A 110 35.960 -6.873 1.763 1.00 6.44 H new ATOM 0 HD22 LEU A 110 37.728 -6.759 1.590 1.00 6.44 H new ATOM 0 HD23 LEU A 110 36.740 -5.279 1.620 1.00 6.44 H new ATOM 1617 N ASP A 111 38.536 -3.393 -2.929 1.00 6.32 N ATOM 1618 CA ASP A 111 39.435 -2.681 -3.842 1.00 6.81 C ATOM 1619 C ASP A 111 39.584 -1.232 -3.395 1.00 6.41 C ATOM 1620 O ASP A 111 40.691 -0.713 -3.236 1.00 6.49 O ATOM 1621 CB ASP A 111 38.852 -2.698 -5.258 1.00 7.75 C ATOM 1622 CG ASP A 111 39.889 -2.488 -6.342 1.00 8.59 C ATOM 1623 OD1 ASP A 111 41.091 -2.393 -6.022 1.00 9.04 O ATOM 1624 OD2 ASP A 111 39.502 -2.423 -7.528 1.00 8.94 O ATOM 0 H ASP A 111 37.751 -3.847 -3.396 1.00 6.32 H new ATOM 0 HA ASP A 111 40.407 -3.174 -3.833 1.00 6.81 H new ATOM 0 HB2 ASP A 111 38.352 -3.652 -5.425 1.00 7.75 H new ATOM 0 HB3 ASP A 111 38.092 -1.921 -5.338 1.00 7.75 H new ATOM 1629 N TRP A 112 38.439 -0.601 -3.187 1.00 6.15 N ATOM 1630 CA TRP A 112 38.350 0.791 -2.773 1.00 6.12 C ATOM 1631 C TRP A 112 38.960 0.986 -1.390 1.00 5.57 C ATOM 1632 O TRP A 112 39.695 1.944 -1.142 1.00 5.97 O ATOM 1633 CB TRP A 112 36.879 1.206 -2.770 1.00 6.03 C ATOM 1634 CG TRP A 112 36.657 2.685 -2.642 1.00 6.48 C ATOM 1635 CD1 TRP A 112 36.408 3.384 -1.497 1.00 6.79 C ATOM 1636 CD2 TRP A 112 36.651 3.645 -3.707 1.00 7.05 C ATOM 1637 NE1 TRP A 112 36.250 4.719 -1.783 1.00 7.45 N ATOM 1638 CE2 TRP A 112 36.394 4.905 -3.131 1.00 7.60 C ATOM 1639 CE3 TRP A 112 36.837 3.562 -5.087 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 36.322 6.070 -3.891 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 36.764 4.720 -5.839 1.00 8.25 C ATOM 1642 CH2 TRP A 112 36.507 5.959 -5.240 1.00 8.69 C ATOM 0 H TRP A 112 37.530 -1.049 -3.303 1.00 6.15 H new ATOM 0 HA TRP A 112 38.910 1.414 -3.471 1.00 6.12 H new ATOM 0 HB2 TRP A 112 36.413 0.859 -3.692 1.00 6.03 H new ATOM 0 HB3 TRP A 112 36.372 0.701 -1.947 1.00 6.03 H new ATOM 0 HD1 TRP A 112 36.344 2.951 -0.510 1.00 6.79 H new ATOM 0 HE1 TRP A 112 36.057 5.452 -1.101 1.00 7.45 H new ATOM 0 HE3 TRP A 112 37.034 2.611 -5.559 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 36.127 7.027 -3.430 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 36.908 4.668 -6.908 1.00 8.25 H new ATOM 0 HH2 TRP A 112 36.454 6.844 -5.856 1.00 8.69 H new ATOM 1653 N ILE A 113 38.658 0.057 -0.503 1.00 4.92 N ATOM 1654 CA ILE A 113 39.125 0.113 0.869 1.00 4.71 C ATOM 1655 C ILE A 113 40.634 -0.151 0.963 1.00 4.95 C ATOM 1656 O ILE A 113 41.344 0.516 1.714 1.00 5.25 O ATOM 1657 CB ILE A 113 38.365 -0.909 1.744 1.00 4.41 C ATOM 1658 CG1 ILE A 113 36.874 -0.560 1.792 1.00 4.22 C ATOM 1659 CG2 ILE A 113 38.948 -0.943 3.147 1.00 4.75 C ATOM 1660 CD1 ILE A 113 36.061 -1.455 2.692 1.00 4.30 C ATOM 0 H ILE A 113 38.082 -0.758 -0.713 1.00 4.92 H new ATOM 0 HA ILE A 113 38.929 1.120 1.237 1.00 4.71 H new ATOM 0 HB ILE A 113 38.477 -1.899 1.301 1.00 4.41 H new ATOM 0 HG12 ILE A 113 36.764 0.471 2.127 1.00 4.22 H new ATOM 0 HG13 ILE A 113 36.467 -0.612 0.782 1.00 4.22 H new ATOM 0 HG21 ILE A 113 38.402 -1.668 3.751 1.00 4.75 H new ATOM 0 HG22 ILE A 113 39.998 -1.230 3.098 1.00 4.75 H new ATOM 0 HG23 ILE A 113 38.863 0.045 3.600 1.00 4.75 H new ATOM 0 HD11 ILE A 113 35.017 -1.142 2.670 1.00 4.30 H new ATOM 0 HD12 ILE A 113 36.138 -2.486 2.346 1.00 4.30 H new ATOM 0 HD13 ILE A 113 36.439 -1.386 3.712 1.00 4.30 H new ATOM 1672 N PHE A 114 41.110 -1.112 0.178 1.00 5.07 N ATOM 1673 CA PHE A 114 42.502 -1.557 0.228 1.00 5.37 C ATOM 1674 C PHE A 114 43.472 -0.420 -0.081 1.00 5.85 C ATOM 1675 O PHE A 114 44.579 -0.374 0.456 1.00 6.10 O ATOM 1676 CB PHE A 114 42.709 -2.713 -0.760 1.00 5.75 C ATOM 1677 CG PHE A 114 44.067 -3.355 -0.690 1.00 6.09 C ATOM 1678 CD1 PHE A 114 44.327 -4.357 0.233 1.00 6.17 C ATOM 1679 CD2 PHE A 114 45.080 -2.964 -1.550 1.00 6.53 C ATOM 1680 CE1 PHE A 114 45.572 -4.954 0.297 1.00 6.62 C ATOM 1681 CE2 PHE A 114 46.325 -3.559 -1.492 1.00 6.91 C ATOM 1682 CZ PHE A 114 46.571 -4.554 -0.567 1.00 6.92 C ATOM 0 H PHE A 114 40.543 -1.606 -0.512 1.00 5.07 H new ATOM 0 HA PHE A 114 42.711 -1.898 1.242 1.00 5.37 H new ATOM 0 HB2 PHE A 114 41.951 -3.474 -0.574 1.00 5.75 H new ATOM 0 HB3 PHE A 114 42.547 -2.343 -1.772 1.00 5.75 H new ATOM 0 HD1 PHE A 114 43.547 -4.675 0.910 1.00 6.17 H new ATOM 0 HD2 PHE A 114 44.894 -2.185 -2.274 1.00 6.53 H new ATOM 0 HE1 PHE A 114 45.763 -5.732 1.022 1.00 6.62 H new ATOM 0 HE2 PHE A 114 47.106 -3.246 -2.170 1.00 6.91 H new ATOM 0 HZ PHE A 114 47.545 -5.019 -0.520 1.00 6.92 H new