USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 952 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 75 SER OG : rot 68:sc= 1.14 USER MOD Set 1.2: A 133 MET CE :methyl 164:sc= -0.226 (180deg=-1.34) USER MOD Set 2.1: A 120 HIS : no HD1:sc= 0 X(o=-0.16,f=-0.17) USER MOD Set 2.2: A 152 SER OG : rot 150:sc= -0.162 USER MOD Set 3.1: A 113 GLN : amide:sc=-0.000478 K(o=-0.00048,f=-1.1) USER MOD Set 3.2: A 149 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 111 GLN : amide:sc= 1.56 K(o=2.2,f=-0.71) USER MOD Set 4.2: A 147 GLN : amide:sc= 0.615 K(o=2.2,f=-0.6) USER MOD Set 5.1: A 90 GLN :FLIP amide:sc= 0.44 F(o=-0.014,f=0.82) USER MOD Set 5.2: A 102 HIS :FLIP no HD1:sc= 0.382 F(o=-0.37,f=0.82) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 43:sc= 0.165 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 42:sc= 0.0853 USER MOD Single : A 26 LYS NZ :NH3+ -134:sc= -0.641 (180deg=-2.65!) USER MOD Single : A 62 SER OG : rot -69:sc= 0.463 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0927 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.708 F(o=-1.3!,f=-0.71) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 65:sc= 1.27 USER MOD Single : A 76 GLN : amide:sc= -0.041 K(o=-0.041,f=-0.54) USER MOD Single : A 77 GLN : amide:sc= -1.66 K(o=-1.7,f=-5.8!) USER MOD Single : A 79 MET CE :methyl 160:sc= -0.102 (180deg=-0.544) USER MOD Single : A 82 THR OG1 : rot -26:sc= 0.455 USER MOD Single : A 84 GLN : amide:sc= -2.54! C(o=-2.5!,f=-3.5!) USER MOD Single : A 86 GLN : amide:sc= 0.0374 X(o=0.037,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0908 X(o=-0.091,f=-0.0044) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0357 USER MOD Single : A 94 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0.154 X(o=0.15,f=-0.0069) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 MET CE :methyl -117:sc= -0.0599 (180deg=-0.459) USER MOD Single : A 118 SER OG : rot 180:sc= -0.389 USER MOD Single : A 121 SER OG : rot 180:sc= -1.6! USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 THR OG1 : rot 80:sc= 0.214 USER MOD Single : A 137 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.096) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 SER OG : rot 180:sc= -0.192 USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 158 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 159 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot -11:sc= 0.932 USER MOD Single : A 163 SER OG : rot 180:sc=-0.00307 USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 165 GLN : amide:sc= 0.734 K(o=0.73,f=-0.072) USER MOD Single : A 166 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 167 SER OG : rot -14:sc= 0.993 USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 2 34.328-100.855 -82.208 1.00 22.20 N ATOM 22 CA MET A 2 33.256-100.272 -83.040 1.00 22.11 C ATOM 23 C MET A 2 31.868-100.549 -82.469 1.00 42.02 C ATOM 24 O MET A 2 31.666-101.515 -81.730 1.00 12.31 O ATOM 25 CB MET A 2 33.338-100.755 -84.505 1.00 15.31 C ATOM 26 CG MET A 2 34.417-100.069 -85.342 1.00 55.42 C ATOM 27 SD MET A 2 36.092-100.335 -84.717 1.00 72.34 S ATOM 28 CE MET A 2 37.051 -99.451 -85.945 1.00 53.04 C ATOM 0 HA MET A 2 33.414 -99.194 -83.027 1.00 22.11 H new ATOM 0 HB2 MET A 2 33.522-101.829 -84.510 1.00 15.31 H new ATOM 0 HB3 MET A 2 32.371-100.595 -84.981 1.00 15.31 H new ATOM 0 HG2 MET A 2 34.358-100.435 -86.367 1.00 55.42 H new ATOM 0 HG3 MET A 2 34.215 -98.998 -85.374 1.00 55.42 H new ATOM 0 HE1 MET A 2 38.111 -99.522 -85.699 1.00 53.04 H new ATOM 0 HE2 MET A 2 36.877 -99.889 -86.928 1.00 53.04 H new ATOM 0 HE3 MET A 2 36.750 -98.403 -85.957 1.00 53.04 H new ATOM 38 N ALA A 3 30.920 -99.687 -82.816 1.00 62.22 N ATOM 39 CA ALA A 3 29.539 -99.815 -82.369 1.00 55.34 C ATOM 40 C ALA A 3 28.661 -98.811 -83.098 1.00 74.11 C ATOM 41 O ALA A 3 29.143 -97.768 -83.544 1.00 43.23 O ATOM 42 CB ALA A 3 29.433 -99.609 -80.864 1.00 22.54 C ATOM 0 H ALA A 3 31.087 -98.879 -83.416 1.00 62.22 H new ATOM 0 HA ALA A 3 29.196-100.824 -82.600 1.00 55.34 H new ATOM 0 HB1 ALA A 3 28.392 -99.710 -80.555 1.00 22.54 H new ATOM 0 HB2 ALA A 3 30.038-100.357 -80.351 1.00 22.54 H new ATOM 0 HB3 ALA A 3 29.793 -98.613 -80.607 1.00 22.54 H new ATOM 48 N SER A 4 27.389 -99.128 -83.230 1.00 22.44 N ATOM 49 CA SER A 4 26.452 -98.263 -83.921 1.00 21.34 C ATOM 50 C SER A 4 26.052 -97.073 -83.052 1.00 43.31 C ATOM 51 O SER A 4 25.461 -97.245 -81.986 1.00 14.31 O ATOM 52 CB SER A 4 25.217 -99.062 -84.333 1.00 41.02 C ATOM 53 OG SER A 4 24.696 -99.797 -83.234 1.00 23.45 O ATOM 0 H SER A 4 26.977 -99.986 -82.864 1.00 22.44 H new ATOM 0 HA SER A 4 26.940 -97.872 -84.814 1.00 21.34 H new ATOM 0 HB2 SER A 4 24.454 -98.386 -84.717 1.00 41.02 H new ATOM 0 HB3 SER A 4 25.475 -99.745 -85.142 1.00 41.02 H new ATOM 0 HG SER A 4 24.704 -99.235 -82.431 1.00 23.45 H new ATOM 59 N ASP A 5 26.375 -95.873 -83.509 1.00 30.45 N ATOM 60 CA ASP A 5 26.031 -94.658 -82.774 1.00 61.43 C ATOM 61 C ASP A 5 24.582 -94.270 -83.046 1.00 71.13 C ATOM 62 O ASP A 5 23.936 -93.621 -82.219 1.00 32.44 O ATOM 63 CB ASP A 5 26.973 -93.506 -83.158 1.00 3.22 C ATOM 64 CG ASP A 5 26.712 -92.244 -82.351 1.00 74.24 C ATOM 65 OD1 ASP A 5 26.921 -92.267 -81.124 1.00 12.23 O ATOM 66 OD2 ASP A 5 26.290 -91.221 -82.944 1.00 1.11 O ATOM 0 H ASP A 5 26.874 -95.711 -84.384 1.00 30.45 H new ATOM 0 HA ASP A 5 26.148 -94.855 -81.708 1.00 61.43 H new ATOM 0 HB2 ASP A 5 28.006 -93.821 -83.009 1.00 3.22 H new ATOM 0 HB3 ASP A 5 26.857 -93.285 -84.219 1.00 3.22 H new ATOM 71 N ASP A 6 24.082 -94.692 -84.217 1.00 3.05 N ATOM 72 CA ASP A 6 22.697 -94.432 -84.652 1.00 51.40 C ATOM 73 C ASP A 6 22.455 -92.958 -84.958 1.00 32.15 C ATOM 74 O ASP A 6 22.584 -92.093 -84.086 1.00 4.11 O ATOM 75 CB ASP A 6 21.678 -94.939 -83.621 1.00 42.03 C ATOM 76 CG ASP A 6 20.266 -94.474 -83.922 1.00 2.10 C ATOM 77 OD1 ASP A 6 19.699 -94.903 -84.946 1.00 4.43 O ATOM 78 OD2 ASP A 6 19.712 -93.685 -83.122 1.00 40.31 O ATOM 0 H ASP A 6 24.628 -95.226 -84.894 1.00 3.05 H new ATOM 0 HA ASP A 6 22.556 -94.989 -85.578 1.00 51.40 H new ATOM 0 HB2 ASP A 6 21.701 -96.029 -83.598 1.00 42.03 H new ATOM 0 HB3 ASP A 6 21.967 -94.593 -82.629 1.00 42.03 H new ATOM 83 N ARG A 7 22.110 -92.673 -86.195 1.00 60.32 N ATOM 84 CA ARG A 7 21.838 -91.313 -86.604 1.00 10.14 C ATOM 85 C ARG A 7 20.342 -91.031 -86.511 1.00 2.10 C ATOM 86 O ARG A 7 19.525 -91.791 -87.030 1.00 4.44 O ATOM 87 CB ARG A 7 22.375 -91.062 -88.031 1.00 31.21 C ATOM 88 CG ARG A 7 22.302 -89.603 -88.504 1.00 53.41 C ATOM 89 CD ARG A 7 20.935 -89.257 -89.080 1.00 14.05 C ATOM 90 NE ARG A 7 20.627 -90.061 -90.262 1.00 4.13 N ATOM 91 CZ ARG A 7 19.395 -90.407 -90.646 1.00 12.10 C ATOM 92 NH1 ARG A 7 18.340 -90.027 -89.939 1.00 64.25 N ATOM 93 NH2 ARG A 7 19.222 -91.132 -91.741 1.00 42.45 N ATOM 0 H ARG A 7 22.011 -93.367 -86.936 1.00 60.32 H new ATOM 0 HA ARG A 7 22.354 -90.626 -85.933 1.00 10.14 H new ATOM 0 HB2 ARG A 7 23.413 -91.391 -88.076 1.00 31.21 H new ATOM 0 HB3 ARG A 7 21.813 -91.683 -88.729 1.00 31.21 H new ATOM 0 HG2 ARG A 7 22.521 -88.939 -87.668 1.00 53.41 H new ATOM 0 HG3 ARG A 7 23.068 -89.428 -89.259 1.00 53.41 H new ATOM 0 HD2 ARG A 7 20.169 -89.417 -88.321 1.00 14.05 H new ATOM 0 HD3 ARG A 7 20.908 -88.199 -89.342 1.00 14.05 H new ATOM 0 HE ARG A 7 21.409 -90.380 -90.834 1.00 4.13 H new ATOM 0 HH11 ARG A 7 18.466 -89.467 -89.096 1.00 64.25 H new ATOM 0 HH12 ARG A 7 17.402 -90.295 -90.238 1.00 64.25 H new ATOM 0 HH21 ARG A 7 20.029 -91.426 -92.291 1.00 42.45 H new ATOM 0 HH22 ARG A 7 18.282 -91.396 -92.034 1.00 42.45 H new ATOM 107 N ALA A 8 19.997 -89.940 -85.849 1.00 25.14 N ATOM 108 CA ALA A 8 18.609 -89.545 -85.675 1.00 3.32 C ATOM 109 C ALA A 8 18.525 -88.083 -85.277 1.00 41.41 C ATOM 110 O ALA A 8 18.427 -87.752 -84.096 1.00 42.20 O ATOM 111 CB ALA A 8 17.919 -90.421 -84.632 1.00 14.05 C ATOM 0 H ALA A 8 20.668 -89.305 -85.418 1.00 25.14 H new ATOM 0 HA ALA A 8 18.094 -89.681 -86.626 1.00 3.32 H new ATOM 0 HB1 ALA A 8 16.882 -90.105 -84.520 1.00 14.05 H new ATOM 0 HB2 ALA A 8 17.949 -91.462 -84.954 1.00 14.05 H new ATOM 0 HB3 ALA A 8 18.433 -90.322 -83.676 1.00 14.05 H new ATOM 117 N THR A 9 18.618 -87.218 -86.261 1.00 21.14 N ATOM 118 CA THR A 9 18.556 -85.790 -86.049 1.00 43.34 C ATOM 119 C THR A 9 17.146 -85.258 -86.307 1.00 42.52 C ATOM 120 O THR A 9 16.316 -85.945 -86.909 1.00 54.22 O ATOM 121 CB THR A 9 19.559 -85.079 -86.966 1.00 30.15 C ATOM 122 OG1 THR A 9 19.616 -85.767 -88.226 1.00 32.42 O ATOM 123 CG2 THR A 9 20.944 -85.057 -86.335 1.00 3.33 C ATOM 0 H THR A 9 18.740 -87.487 -87.237 1.00 21.14 H new ATOM 0 HA THR A 9 18.813 -85.589 -85.009 1.00 43.34 H new ATOM 0 HB THR A 9 19.231 -84.050 -87.116 1.00 30.15 H new ATOM 0 HG1 THR A 9 20.255 -85.316 -88.817 1.00 32.42 H new ATOM 0 HG21 THR A 9 21.640 -84.548 -87.002 1.00 3.33 H new ATOM 0 HG22 THR A 9 20.902 -84.528 -85.383 1.00 3.33 H new ATOM 0 HG23 THR A 9 21.284 -86.079 -86.167 1.00 3.33 H new ATOM 131 N GLY A 10 16.885 -84.041 -85.855 1.00 12.41 N ATOM 132 CA GLY A 10 15.582 -83.440 -86.047 1.00 3.54 C ATOM 133 C GLY A 10 14.523 -84.058 -85.151 1.00 44.41 C ATOM 134 O GLY A 10 13.686 -84.836 -85.622 1.00 2.21 O ATOM 0 H GLY A 10 17.556 -83.456 -85.356 1.00 12.41 H new ATOM 0 HA2 GLY A 10 15.645 -82.370 -85.847 1.00 3.54 H new ATOM 0 HA3 GLY A 10 15.283 -83.552 -87.089 1.00 3.54 H new ATOM 138 N PRO A 11 14.523 -83.725 -83.850 1.00 0.14 N ATOM 139 CA PRO A 11 13.559 -84.275 -82.898 1.00 32.23 C ATOM 140 C PRO A 11 12.164 -83.725 -83.132 1.00 14.40 C ATOM 141 O PRO A 11 11.997 -82.654 -83.714 1.00 65.43 O ATOM 142 CB PRO A 11 14.096 -83.818 -81.541 1.00 23.44 C ATOM 143 CG PRO A 11 14.872 -82.583 -81.838 1.00 3.34 C ATOM 144 CD PRO A 11 15.456 -82.775 -83.209 1.00 34.52 C ATOM 0 HA PRO A 11 13.464 -85.357 -82.984 1.00 32.23 H new ATOM 0 HB2 PRO A 11 13.285 -83.617 -80.841 1.00 23.44 H new ATOM 0 HB3 PRO A 11 14.727 -84.582 -81.087 1.00 23.44 H new ATOM 0 HG2 PRO A 11 14.230 -81.703 -81.808 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.658 -82.429 -81.098 1.00 3.34 H new ATOM 0 HD2 PRO A 11 15.511 -81.835 -83.757 1.00 34.52 H new ATOM 0 HD3 PRO A 11 16.468 -83.176 -83.162 1.00 34.52 H new ATOM 209 N LEU A 16 3.624 -75.399 -80.574 1.00 34.24 N ATOM 210 CA LEU A 16 3.884 -74.239 -79.743 1.00 3.11 C ATOM 211 C LEU A 16 2.591 -73.510 -79.423 1.00 52.43 C ATOM 212 O LEU A 16 1.668 -73.469 -80.246 1.00 42.31 O ATOM 213 CB LEU A 16 4.898 -73.273 -80.404 1.00 11.25 C ATOM 214 CG LEU A 16 4.391 -72.428 -81.593 1.00 74.42 C ATOM 215 CD1 LEU A 16 5.409 -71.358 -81.951 1.00 43.20 C ATOM 216 CD2 LEU A 16 4.105 -73.298 -82.809 1.00 12.33 C ATOM 0 HA LEU A 16 4.327 -74.597 -78.814 1.00 3.11 H new ATOM 0 HB2 LEU A 16 5.266 -72.591 -79.637 1.00 11.25 H new ATOM 0 HB3 LEU A 16 5.751 -73.859 -80.745 1.00 11.25 H new ATOM 0 HG LEU A 16 3.459 -71.951 -81.289 1.00 74.42 H new ATOM 0 HD11 LEU A 16 5.039 -70.770 -82.791 1.00 43.20 H new ATOM 0 HD12 LEU A 16 5.568 -70.705 -81.093 1.00 43.20 H new ATOM 0 HD13 LEU A 16 6.352 -71.830 -82.227 1.00 43.20 H new ATOM 0 HD21 LEU A 16 3.750 -72.673 -83.628 1.00 12.33 H new ATOM 0 HD22 LEU A 16 5.018 -73.810 -83.113 1.00 12.33 H new ATOM 0 HD23 LEU A 16 3.342 -74.035 -82.558 1.00 12.33 H new ATOM 228 N VAL A 17 2.521 -72.949 -78.235 1.00 4.54 N ATOM 229 CA VAL A 17 1.334 -72.242 -77.801 1.00 23.20 C ATOM 230 C VAL A 17 1.342 -70.810 -78.314 1.00 11.14 C ATOM 231 O VAL A 17 2.404 -70.252 -78.617 1.00 21.33 O ATOM 232 CB VAL A 17 1.200 -72.242 -76.259 1.00 24.13 C ATOM 233 CG1 VAL A 17 1.046 -73.661 -75.737 1.00 64.13 C ATOM 234 CG2 VAL A 17 2.396 -71.557 -75.606 1.00 34.32 C ATOM 0 H VAL A 17 3.276 -72.969 -77.549 1.00 4.54 H new ATOM 0 HA VAL A 17 0.476 -72.769 -78.219 1.00 23.20 H new ATOM 0 HB VAL A 17 0.305 -71.678 -75.998 1.00 24.13 H new ATOM 0 HG11 VAL A 17 0.953 -73.641 -74.651 1.00 64.13 H new ATOM 0 HG12 VAL A 17 0.153 -74.113 -76.169 1.00 64.13 H new ATOM 0 HG13 VAL A 17 1.921 -74.248 -76.016 1.00 64.13 H new ATOM 0 HG21 VAL A 17 2.276 -71.571 -74.523 1.00 34.32 H new ATOM 0 HG22 VAL A 17 3.310 -72.085 -75.877 1.00 34.32 H new ATOM 0 HG23 VAL A 17 2.457 -70.525 -75.951 1.00 34.32 H new ATOM 244 N VAL A 18 0.164 -70.227 -78.420 1.00 53.33 N ATOM 245 CA VAL A 18 0.024 -68.874 -78.915 1.00 21.10 C ATOM 246 C VAL A 18 -1.227 -68.220 -78.326 1.00 12.12 C ATOM 247 O VAL A 18 -2.255 -68.881 -78.127 1.00 20.22 O ATOM 248 CB VAL A 18 -0.033 -68.843 -80.473 1.00 10.10 C ATOM 249 CG1 VAL A 18 -1.220 -69.634 -81.002 1.00 32.22 C ATOM 250 CG2 VAL A 18 -0.063 -67.412 -80.992 1.00 3.15 C ATOM 0 H VAL A 18 -0.717 -70.675 -78.167 1.00 53.33 H new ATOM 0 HA VAL A 18 0.902 -68.310 -78.600 1.00 21.10 H new ATOM 0 HB VAL A 18 0.875 -69.319 -80.842 1.00 10.10 H new ATOM 0 HG11 VAL A 18 -1.229 -69.591 -82.091 1.00 32.22 H new ATOM 0 HG12 VAL A 18 -1.138 -70.672 -80.680 1.00 32.22 H new ATOM 0 HG13 VAL A 18 -2.144 -69.206 -80.614 1.00 32.22 H new ATOM 0 HG21 VAL A 18 -0.103 -67.421 -82.081 1.00 3.15 H new ATOM 0 HG22 VAL A 18 -0.943 -66.902 -80.601 1.00 3.15 H new ATOM 0 HG23 VAL A 18 0.835 -66.888 -80.666 1.00 3.15 H new ATOM 260 N ALA A 19 -1.128 -66.933 -78.037 1.00 75.23 N ATOM 261 CA ALA A 19 -2.225 -66.176 -77.465 1.00 0.14 C ATOM 262 C ALA A 19 -1.953 -64.691 -77.595 1.00 61.23 C ATOM 263 O ALA A 19 -0.913 -64.290 -78.131 1.00 1.45 O ATOM 264 CB ALA A 19 -2.422 -66.548 -75.999 1.00 14.54 C ATOM 0 H ALA A 19 -0.282 -66.384 -78.193 1.00 75.23 H new ATOM 0 HA ALA A 19 -3.138 -66.418 -78.009 1.00 0.14 H new ATOM 0 HB1 ALA A 19 -3.249 -65.971 -75.585 1.00 14.54 H new ATOM 0 HB2 ALA A 19 -2.647 -67.612 -75.921 1.00 14.54 H new ATOM 0 HB3 ALA A 19 -1.511 -66.328 -75.442 1.00 14.54 H new ATOM 270 N ALA A 20 -2.881 -63.881 -77.112 1.00 44.51 N ATOM 271 CA ALA A 20 -2.751 -62.436 -77.168 1.00 42.22 C ATOM 272 C ALA A 20 -3.808 -61.774 -76.302 1.00 41.34 C ATOM 273 O ALA A 20 -4.697 -62.446 -75.767 1.00 42.32 O ATOM 274 CB ALA A 20 -2.865 -61.941 -78.608 1.00 51.13 C ATOM 0 H ALA A 20 -3.742 -64.206 -76.672 1.00 44.51 H new ATOM 0 HA ALA A 20 -1.766 -62.167 -76.786 1.00 42.22 H new ATOM 0 HB1 ALA A 20 -2.765 -60.856 -78.629 1.00 51.13 H new ATOM 0 HB2 ALA A 20 -2.075 -62.390 -79.211 1.00 51.13 H new ATOM 0 HB3 ALA A 20 -3.836 -62.224 -79.014 1.00 51.13 H new ATOM 280 N ALA A 21 -3.705 -60.464 -76.173 1.00 25.23 N ATOM 281 CA ALA A 21 -4.634 -59.670 -75.389 1.00 45.03 C ATOM 282 C ALA A 21 -4.424 -58.202 -75.704 1.00 65.21 C ATOM 283 O ALA A 21 -3.597 -57.865 -76.559 1.00 30.32 O ATOM 284 CB ALA A 21 -4.434 -59.925 -73.900 1.00 62.22 C ATOM 0 H ALA A 21 -2.967 -59.915 -76.614 1.00 25.23 H new ATOM 0 HA ALA A 21 -5.654 -59.955 -75.646 1.00 45.03 H new ATOM 0 HB1 ALA A 21 -5.139 -59.321 -73.329 1.00 62.22 H new ATOM 0 HB2 ALA A 21 -4.604 -60.980 -73.686 1.00 62.22 H new ATOM 0 HB3 ALA A 21 -3.416 -59.657 -73.618 1.00 62.22 H new ATOM 290 N ALA A 22 -5.150 -57.331 -75.023 1.00 44.01 N ATOM 291 CA ALA A 22 -5.043 -55.902 -75.262 1.00 30.35 C ATOM 292 C ALA A 22 -5.686 -55.112 -74.137 1.00 23.00 C ATOM 293 O ALA A 22 -6.203 -55.684 -73.177 1.00 2.35 O ATOM 294 CB ALA A 22 -5.693 -55.537 -76.593 1.00 55.02 C ATOM 0 H ALA A 22 -5.821 -57.589 -74.299 1.00 44.01 H new ATOM 0 HA ALA A 22 -3.984 -55.645 -75.300 1.00 30.35 H new ATOM 0 HB1 ALA A 22 -5.605 -54.463 -76.758 1.00 55.02 H new ATOM 0 HB2 ALA A 22 -5.192 -56.071 -77.401 1.00 55.02 H new ATOM 0 HB3 ALA A 22 -6.747 -55.816 -76.572 1.00 55.02 H new ATOM 300 N THR A 23 -5.662 -53.801 -74.272 1.00 25.21 N ATOM 301 CA THR A 23 -6.238 -52.898 -73.296 1.00 42.30 C ATOM 302 C THR A 23 -6.844 -51.693 -74.005 1.00 13.31 C ATOM 303 O THR A 23 -6.390 -51.316 -75.092 1.00 54.25 O ATOM 304 CB THR A 23 -5.166 -52.412 -72.291 1.00 14.34 C ATOM 305 OG1 THR A 23 -3.914 -52.213 -72.970 1.00 60.02 O ATOM 306 CG2 THR A 23 -4.980 -53.407 -71.152 1.00 61.14 C ATOM 0 H THR A 23 -5.238 -53.328 -75.070 1.00 25.21 H new ATOM 0 HA THR A 23 -7.012 -53.436 -72.749 1.00 42.30 H new ATOM 0 HB THR A 23 -5.508 -51.469 -71.865 1.00 14.34 H new ATOM 0 HG1 THR A 23 -3.240 -51.904 -72.329 1.00 60.02 H new ATOM 0 HG21 THR A 23 -4.220 -53.035 -70.464 1.00 61.14 H new ATOM 0 HG22 THR A 23 -5.923 -53.530 -70.619 1.00 61.14 H new ATOM 0 HG23 THR A 23 -4.664 -54.368 -71.557 1.00 61.14 H new ATOM 314 N SER A 24 -7.866 -51.105 -73.408 1.00 61.35 N ATOM 315 CA SER A 24 -8.532 -49.960 -73.999 1.00 53.42 C ATOM 316 C SER A 24 -9.386 -49.231 -72.969 1.00 13.12 C ATOM 317 O SER A 24 -10.355 -49.784 -72.437 1.00 43.33 O ATOM 318 CB SER A 24 -9.388 -50.399 -75.198 1.00 4.21 C ATOM 319 OG SER A 24 -10.195 -51.524 -74.867 1.00 12.44 O ATOM 0 H SER A 24 -8.253 -51.403 -72.512 1.00 61.35 H new ATOM 0 HA SER A 24 -7.768 -49.267 -74.351 1.00 53.42 H new ATOM 0 HB2 SER A 24 -10.024 -49.573 -75.517 1.00 4.21 H new ATOM 0 HB3 SER A 24 -8.741 -50.647 -76.039 1.00 4.21 H new ATOM 0 HG SER A 24 -10.573 -51.403 -73.971 1.00 12.44 H new ATOM 325 N ALA A 25 -9.001 -48.000 -72.683 1.00 2.52 N ATOM 326 CA ALA A 25 -9.693 -47.147 -71.734 1.00 42.02 C ATOM 327 C ALA A 25 -9.117 -45.753 -71.816 1.00 30.43 C ATOM 328 O ALA A 25 -8.023 -45.564 -72.356 1.00 34.21 O ATOM 329 CB ALA A 25 -9.554 -47.684 -70.318 1.00 53.52 C ATOM 0 H ALA A 25 -8.187 -47.559 -73.110 1.00 2.52 H new ATOM 0 HA ALA A 25 -10.754 -47.127 -71.983 1.00 42.02 H new ATOM 0 HB1 ALA A 25 -10.081 -47.027 -69.626 1.00 53.52 H new ATOM 0 HB2 ALA A 25 -9.982 -48.685 -70.265 1.00 53.52 H new ATOM 0 HB3 ALA A 25 -8.499 -47.725 -70.046 1.00 53.52 H new ATOM 335 N LYS A 26 -9.822 -44.783 -71.279 1.00 61.14 N ATOM 336 CA LYS A 26 -9.358 -43.416 -71.328 1.00 70.13 C ATOM 337 C LYS A 26 -9.981 -42.594 -70.218 1.00 64.12 C ATOM 338 O LYS A 26 -11.008 -41.949 -70.411 1.00 53.15 O ATOM 339 CB LYS A 26 -9.670 -42.787 -72.695 1.00 63.15 C ATOM 340 CG LYS A 26 -9.089 -41.393 -72.892 1.00 32.14 C ATOM 341 CD LYS A 26 -9.410 -40.816 -74.278 1.00 31.22 C ATOM 342 CE LYS A 26 -10.887 -40.431 -74.435 1.00 44.53 C ATOM 343 NZ LYS A 26 -11.766 -41.593 -74.748 1.00 41.14 N ATOM 0 H LYS A 26 -10.716 -44.915 -70.805 1.00 61.14 H new ATOM 0 HA LYS A 26 -8.277 -43.422 -71.186 1.00 70.13 H new ATOM 0 HB2 LYS A 26 -9.287 -43.441 -73.478 1.00 63.15 H new ATOM 0 HB3 LYS A 26 -10.752 -42.738 -72.821 1.00 63.15 H new ATOM 0 HG2 LYS A 26 -9.482 -40.727 -72.124 1.00 32.14 H new ATOM 0 HG3 LYS A 26 -8.008 -41.431 -72.759 1.00 32.14 H new ATOM 0 HD2 LYS A 26 -8.790 -39.937 -74.453 1.00 31.22 H new ATOM 0 HD3 LYS A 26 -9.147 -41.549 -75.041 1.00 31.22 H new ATOM 0 HE2 LYS A 26 -11.233 -39.959 -73.515 1.00 44.53 H new ATOM 0 HE3 LYS A 26 -10.980 -39.689 -75.228 1.00 44.53 H new ATOM 0 HZ1 LYS A 26 -12.410 -41.342 -75.525 1.00 41.14 H new ATOM 0 HZ2 LYS A 26 -11.181 -42.404 -75.032 1.00 41.14 H new ATOM 0 HZ3 LYS A 26 -12.321 -41.845 -73.906 1.00 41.14 H new ATOM 357 N VAL A 27 -9.386 -42.656 -69.049 1.00 24.35 N ATOM 358 CA VAL A 27 -9.840 -41.853 -67.937 1.00 2.52 C ATOM 359 C VAL A 27 -9.111 -40.525 -67.972 1.00 60.24 C ATOM 360 O VAL A 27 -8.055 -40.421 -68.599 1.00 61.22 O ATOM 361 CB VAL A 27 -9.608 -42.553 -66.572 1.00 33.34 C ATOM 362 CG1 VAL A 27 -10.401 -43.849 -66.497 1.00 2.10 C ATOM 363 CG2 VAL A 27 -8.129 -42.818 -66.333 1.00 53.35 C ATOM 0 H VAL A 27 -8.586 -43.254 -68.843 1.00 24.35 H new ATOM 0 HA VAL A 27 -10.915 -41.704 -68.036 1.00 2.52 H new ATOM 0 HB VAL A 27 -9.959 -41.883 -65.787 1.00 33.34 H new ATOM 0 HG11 VAL A 27 -10.227 -44.327 -65.533 1.00 2.10 H new ATOM 0 HG12 VAL A 27 -11.463 -43.632 -66.608 1.00 2.10 H new ATOM 0 HG13 VAL A 27 -10.082 -44.518 -67.296 1.00 2.10 H new ATOM 0 HG21 VAL A 27 -7.999 -43.309 -65.369 1.00 53.35 H new ATOM 0 HG22 VAL A 27 -7.742 -43.461 -67.123 1.00 53.35 H new ATOM 0 HG23 VAL A 27 -7.585 -41.873 -66.336 1.00 53.35 H new ATOM 799 N VAL A 60 11.317 9.920 -2.113 1.00 21.13 N ATOM 800 CA VAL A 60 9.966 10.073 -1.612 1.00 14.43 C ATOM 801 C VAL A 60 9.076 10.627 -2.713 1.00 44.12 C ATOM 802 O VAL A 60 9.581 11.145 -3.716 1.00 42.12 O ATOM 803 CB VAL A 60 9.916 10.995 -0.373 1.00 30.12 C ATOM 804 CG1 VAL A 60 10.831 10.461 0.721 1.00 11.43 C ATOM 805 CG2 VAL A 60 10.290 12.427 -0.735 1.00 5.31 C ATOM 0 HA VAL A 60 9.605 9.092 -1.304 1.00 14.43 H new ATOM 0 HB VAL A 60 8.892 11.004 0.001 1.00 30.12 H new ATOM 0 HG11 VAL A 60 10.786 11.121 1.588 1.00 11.43 H new ATOM 0 HG12 VAL A 60 10.508 9.461 1.009 1.00 11.43 H new ATOM 0 HG13 VAL A 60 11.855 10.419 0.350 1.00 11.43 H new ATOM 0 HG21 VAL A 60 10.246 13.051 0.157 1.00 5.31 H new ATOM 0 HG22 VAL A 60 11.301 12.447 -1.142 1.00 5.31 H new ATOM 0 HG23 VAL A 60 9.591 12.808 -1.480 1.00 5.31 H new ATOM 815 N LEU A 61 7.770 10.544 -2.543 1.00 61.32 N ATOM 816 CA LEU A 61 6.881 11.011 -3.584 1.00 73.42 C ATOM 817 C LEU A 61 6.543 12.483 -3.393 1.00 20.14 C ATOM 818 O LEU A 61 5.550 12.844 -2.756 1.00 73.31 O ATOM 819 CB LEU A 61 5.606 10.163 -3.639 1.00 25.23 C ATOM 820 CG LEU A 61 4.639 10.475 -4.787 1.00 4.21 C ATOM 821 CD1 LEU A 61 5.307 10.242 -6.130 1.00 4.33 C ATOM 822 CD2 LEU A 61 3.378 9.634 -4.669 1.00 2.22 C ATOM 0 H LEU A 61 7.311 10.167 -1.714 1.00 61.32 H new ATOM 0 HA LEU A 61 7.399 10.904 -4.537 1.00 73.42 H new ATOM 0 HB2 LEU A 61 5.894 9.114 -3.708 1.00 25.23 H new ATOM 0 HB3 LEU A 61 5.071 10.285 -2.697 1.00 25.23 H new ATOM 0 HG LEU A 61 4.360 11.527 -4.720 1.00 4.21 H new ATOM 0 HD11 LEU A 61 4.603 10.469 -6.931 1.00 4.33 H new ATOM 0 HD12 LEU A 61 6.180 10.889 -6.219 1.00 4.33 H new ATOM 0 HD13 LEU A 61 5.618 9.200 -6.206 1.00 4.33 H new ATOM 0 HD21 LEU A 61 2.705 9.870 -5.493 1.00 2.22 H new ATOM 0 HD22 LEU A 61 3.641 8.577 -4.707 1.00 2.22 H new ATOM 0 HD23 LEU A 61 2.883 9.851 -3.722 1.00 2.22 H new ATOM 834 N SER A 62 7.400 13.322 -3.917 1.00 51.32 N ATOM 835 CA SER A 62 7.195 14.747 -3.900 1.00 21.42 C ATOM 836 C SER A 62 7.547 15.325 -5.263 1.00 65.04 C ATOM 837 O SER A 62 8.616 15.909 -5.453 1.00 62.24 O ATOM 838 CB SER A 62 8.015 15.402 -2.783 1.00 32.21 C ATOM 839 OG SER A 62 7.658 14.860 -1.513 1.00 14.22 O ATOM 0 H SER A 62 8.266 13.032 -4.371 1.00 51.32 H new ATOM 0 HA SER A 62 6.146 14.958 -3.694 1.00 21.42 H new ATOM 0 HB2 SER A 62 9.078 15.245 -2.965 1.00 32.21 H new ATOM 0 HB3 SER A 62 7.847 16.479 -2.785 1.00 32.21 H new ATOM 0 HG SER A 62 6.750 15.146 -1.279 1.00 14.22 H new ATOM 845 N ALA A 63 6.668 15.112 -6.218 1.00 44.35 N ATOM 846 CA ALA A 63 6.880 15.569 -7.573 1.00 74.14 C ATOM 847 C ALA A 63 5.690 16.392 -8.033 1.00 40.53 C ATOM 848 O ALA A 63 4.600 16.274 -7.457 1.00 53.24 O ATOM 849 CB ALA A 63 7.098 14.368 -8.495 1.00 40.14 C ATOM 0 H ALA A 63 5.787 14.618 -6.077 1.00 44.35 H new ATOM 0 HA ALA A 63 7.768 16.199 -7.609 1.00 74.14 H new ATOM 0 HB1 ALA A 63 7.257 14.717 -9.515 1.00 40.14 H new ATOM 0 HB2 ALA A 63 7.972 13.808 -8.162 1.00 40.14 H new ATOM 0 HB3 ALA A 63 6.220 13.722 -8.465 1.00 40.14 H new ATOM 855 N PRO A 64 5.884 17.259 -9.054 1.00 62.42 N ATOM 856 CA PRO A 64 4.814 18.086 -9.620 1.00 63.04 C ATOM 857 C PRO A 64 3.539 17.279 -9.881 1.00 52.24 C ATOM 858 O PRO A 64 3.580 16.194 -10.471 1.00 2.31 O ATOM 859 CB PRO A 64 5.410 18.598 -10.950 1.00 34.12 C ATOM 860 CG PRO A 64 6.732 17.908 -11.099 1.00 3.12 C ATOM 861 CD PRO A 64 7.161 17.523 -9.720 1.00 0.31 C ATOM 0 HA PRO A 64 4.516 18.885 -8.941 1.00 63.04 H new ATOM 0 HB2 PRO A 64 4.752 18.367 -11.788 1.00 34.12 H new ATOM 0 HB3 PRO A 64 5.534 19.681 -10.931 1.00 34.12 H new ATOM 0 HG2 PRO A 64 6.642 17.029 -11.738 1.00 3.12 H new ATOM 0 HG3 PRO A 64 7.465 18.567 -11.564 1.00 3.12 H new ATOM 0 HD2 PRO A 64 7.805 16.644 -9.726 1.00 0.31 H new ATOM 0 HD3 PRO A 64 7.717 18.322 -9.230 1.00 0.31 H new ATOM 869 N LEU A 65 2.414 17.817 -9.451 1.00 33.11 N ATOM 870 CA LEU A 65 1.140 17.142 -9.588 1.00 72.44 C ATOM 871 C LEU A 65 0.716 17.106 -11.042 1.00 34.12 C ATOM 872 O LEU A 65 0.733 18.127 -11.732 1.00 72.43 O ATOM 873 CB LEU A 65 0.072 17.842 -8.745 1.00 1.50 C ATOM 874 CG LEU A 65 -1.304 17.175 -8.727 1.00 22.35 C ATOM 875 CD1 LEU A 65 -1.229 15.797 -8.082 1.00 32.33 C ATOM 876 CD2 LEU A 65 -2.303 18.053 -8.001 1.00 12.22 C ATOM 0 H LEU A 65 2.358 18.730 -8.999 1.00 33.11 H new ATOM 0 HA LEU A 65 1.252 16.118 -9.231 1.00 72.44 H new ATOM 0 HB2 LEU A 65 0.434 17.913 -7.719 1.00 1.50 H new ATOM 0 HB3 LEU A 65 -0.044 18.861 -9.113 1.00 1.50 H new ATOM 0 HG LEU A 65 -1.639 17.047 -9.756 1.00 22.35 H new ATOM 0 HD11 LEU A 65 -2.219 15.342 -8.080 1.00 32.33 H new ATOM 0 HD12 LEU A 65 -0.541 15.168 -8.647 1.00 32.33 H new ATOM 0 HD13 LEU A 65 -0.873 15.894 -7.056 1.00 32.33 H new ATOM 0 HD21 LEU A 65 -3.278 17.567 -7.995 1.00 12.22 H new ATOM 0 HD22 LEU A 65 -1.970 18.211 -6.975 1.00 12.22 H new ATOM 0 HD23 LEU A 65 -2.380 19.014 -8.510 1.00 12.22 H new ATOM 888 N GLY A 66 0.360 15.930 -11.508 1.00 21.34 N ATOM 889 CA GLY A 66 -0.046 15.772 -12.881 1.00 12.21 C ATOM 890 C GLY A 66 1.079 15.243 -13.734 1.00 61.50 C ATOM 891 O GLY A 66 0.844 14.611 -14.763 1.00 43.32 O ATOM 0 H GLY A 66 0.344 15.073 -10.956 1.00 21.34 H new ATOM 0 HA2 GLY A 66 -0.895 15.091 -12.934 1.00 12.21 H new ATOM 0 HA3 GLY A 66 -0.382 16.731 -13.275 1.00 12.21 H new ATOM 895 N SER A 67 2.305 15.511 -13.307 1.00 20.04 N ATOM 896 CA SER A 67 3.480 15.050 -14.010 1.00 54.24 C ATOM 897 C SER A 67 3.501 13.531 -14.090 1.00 54.11 C ATOM 898 O SER A 67 3.116 12.837 -13.140 1.00 41.23 O ATOM 899 CB SER A 67 4.753 15.561 -13.323 1.00 34.34 C ATOM 900 OG SER A 67 5.919 15.033 -13.938 1.00 42.51 O ATOM 0 H SER A 67 2.506 16.052 -12.466 1.00 20.04 H new ATOM 0 HA SER A 67 3.445 15.448 -15.024 1.00 54.24 H new ATOM 0 HB2 SER A 67 4.779 16.650 -13.364 1.00 34.34 H new ATOM 0 HB3 SER A 67 4.737 15.282 -12.269 1.00 34.34 H new ATOM 0 HG SER A 67 6.714 15.377 -13.481 1.00 42.51 H new ATOM 906 N HIS A 68 3.954 13.019 -15.215 1.00 24.24 N ATOM 907 CA HIS A 68 4.061 11.591 -15.411 1.00 25.42 C ATOM 908 C HIS A 68 5.148 11.035 -14.511 1.00 41.42 C ATOM 909 O HIS A 68 5.106 9.877 -14.117 1.00 31.33 O ATOM 910 CB HIS A 68 4.355 11.262 -16.879 1.00 51.53 C ATOM 911 CG HIS A 68 3.263 11.684 -17.816 1.00 51.23 C ATOM 912 ND1 HIS A 68 3.398 12.716 -18.718 1.00 61.04 N ATOM 913 CD2 HIS A 68 2.011 11.205 -17.986 1.00 70.00 C ATOM 914 CE1 HIS A 68 2.277 12.854 -19.397 1.00 24.23 C ATOM 915 NE2 HIS A 68 1.419 11.948 -18.974 1.00 34.31 N ATOM 0 H HIS A 68 4.256 13.577 -16.013 1.00 24.24 H new ATOM 0 HA HIS A 68 3.110 11.127 -15.150 1.00 25.42 H new ATOM 0 HB2 HIS A 68 5.284 11.750 -17.173 1.00 51.53 H new ATOM 0 HB3 HIS A 68 4.513 10.188 -16.978 1.00 51.53 H new ATOM 0 HD2 HIS A 68 1.560 10.387 -17.443 1.00 70.00 H new ATOM 0 HE1 HIS A 68 2.093 13.586 -20.169 1.00 24.23 H new ATOM 0 HE2 HIS A 68 0.470 11.820 -19.324 1.00 34.31 H new ATOM 924 N GLU A 69 6.096 11.897 -14.150 1.00 41.25 N ATOM 925 CA GLU A 69 7.198 11.520 -13.278 1.00 55.51 C ATOM 926 C GLU A 69 6.673 11.238 -11.868 1.00 54.22 C ATOM 927 O GLU A 69 7.266 10.476 -11.106 1.00 74.32 O ATOM 928 CB GLU A 69 8.250 12.636 -13.253 1.00 10.50 C ATOM 929 CG GLU A 69 9.483 12.322 -12.423 1.00 70.00 C ATOM 930 CD GLU A 69 10.539 13.395 -12.535 1.00 23.43 C ATOM 931 OE1 GLU A 69 10.470 14.389 -11.779 1.00 22.15 O ATOM 932 OE2 GLU A 69 11.447 13.255 -13.389 1.00 34.32 O ATOM 0 H GLU A 69 6.119 12.871 -14.454 1.00 41.25 H new ATOM 0 HA GLU A 69 7.667 10.613 -13.660 1.00 55.51 H new ATOM 0 HB2 GLU A 69 8.561 12.848 -14.276 1.00 10.50 H new ATOM 0 HB3 GLU A 69 7.788 13.544 -12.865 1.00 10.50 H new ATOM 0 HG2 GLU A 69 9.195 12.207 -11.378 1.00 70.00 H new ATOM 0 HG3 GLU A 69 9.902 11.369 -12.745 1.00 70.00 H new ATOM 939 N TRP A 70 5.530 11.825 -11.552 1.00 14.22 N ATOM 940 CA TRP A 70 4.899 11.627 -10.264 1.00 24.31 C ATOM 941 C TRP A 70 4.184 10.285 -10.265 1.00 32.12 C ATOM 942 O TRP A 70 4.374 9.462 -9.367 1.00 22.33 O ATOM 943 CB TRP A 70 3.905 12.771 -9.989 1.00 32.32 C ATOM 944 CG TRP A 70 3.161 12.651 -8.689 1.00 41.02 C ATOM 945 CD1 TRP A 70 3.614 12.997 -7.450 1.00 14.12 C ATOM 946 CD2 TRP A 70 1.823 12.165 -8.504 1.00 64.45 C ATOM 947 NE1 TRP A 70 2.650 12.743 -6.506 1.00 72.32 N ATOM 948 CE2 TRP A 70 1.541 12.234 -7.128 1.00 3.24 C ATOM 949 CE3 TRP A 70 0.840 11.672 -9.370 1.00 33.14 C ATOM 950 CZ2 TRP A 70 0.317 11.834 -6.596 1.00 23.04 C ATOM 951 CZ3 TRP A 70 -0.373 11.275 -8.841 1.00 52.21 C ATOM 952 CH2 TRP A 70 -0.625 11.359 -7.468 1.00 15.00 C ATOM 0 H TRP A 70 5.019 12.447 -12.178 1.00 14.22 H new ATOM 0 HA TRP A 70 5.652 11.630 -9.476 1.00 24.31 H new ATOM 0 HB2 TRP A 70 4.447 13.716 -9.997 1.00 32.32 H new ATOM 0 HB3 TRP A 70 3.183 12.811 -10.804 1.00 32.32 H new ATOM 0 HD1 TRP A 70 4.590 13.411 -7.242 1.00 14.12 H new ATOM 0 HE1 TRP A 70 2.744 12.907 -5.504 1.00 72.32 H new ATOM 0 HE3 TRP A 70 1.026 11.603 -10.432 1.00 33.14 H new ATOM 0 HZ2 TRP A 70 0.119 11.896 -5.536 1.00 23.04 H new ATOM 0 HZ3 TRP A 70 -1.140 10.893 -9.499 1.00 52.21 H new ATOM 0 HH2 TRP A 70 -1.585 11.042 -7.087 1.00 15.00 H new ATOM 963 N GLN A 71 3.385 10.065 -11.299 1.00 53.42 N ATOM 964 CA GLN A 71 2.654 8.815 -11.466 1.00 62.55 C ATOM 965 C GLN A 71 3.614 7.616 -11.534 1.00 61.45 C ATOM 966 O GLN A 71 3.312 6.532 -11.024 1.00 50.00 O ATOM 967 CB GLN A 71 1.802 8.871 -12.731 1.00 11.42 C ATOM 968 CG GLN A 71 0.870 10.071 -12.793 1.00 33.14 C ATOM 969 CD GLN A 71 -0.027 10.040 -14.009 1.00 12.21 C ATOM 970 OE1 GLN A 71 -1.202 9.463 -13.857 1.00 34.31 O flip ATOM 971 NE2 GLN A 71 0.331 10.540 -15.075 1.00 61.55 N flip ATOM 0 H GLN A 71 3.225 10.744 -12.043 1.00 53.42 H new ATOM 0 HA GLN A 71 2.006 8.684 -10.600 1.00 62.55 H new ATOM 0 HB2 GLN A 71 2.460 8.889 -13.600 1.00 11.42 H new ATOM 0 HB3 GLN A 71 1.209 7.959 -12.799 1.00 11.42 H new ATOM 0 HG2 GLN A 71 0.256 10.098 -11.893 1.00 33.14 H new ATOM 0 HG3 GLN A 71 1.461 10.987 -12.804 1.00 33.14 H new ATOM 0 HE21 GLN A 71 1.249 10.977 -15.150 1.00 61.55 H new ATOM 0 HE22 GLN A 71 -0.291 10.517 -15.883 1.00 61.55 H new ATOM 980 N GLN A 72 4.775 7.822 -12.148 1.00 52.11 N ATOM 981 CA GLN A 72 5.760 6.754 -12.286 1.00 24.12 C ATOM 982 C GLN A 72 6.455 6.465 -10.957 1.00 32.14 C ATOM 983 O GLN A 72 6.728 5.311 -10.634 1.00 43.35 O ATOM 984 CB GLN A 72 6.787 7.075 -13.369 1.00 2.34 C ATOM 985 CG GLN A 72 6.211 7.106 -14.776 1.00 23.03 C ATOM 986 CD GLN A 72 7.280 7.267 -15.836 1.00 74.12 C ATOM 987 OE1 GLN A 72 7.643 8.384 -16.208 1.00 22.44 O ATOM 988 NE2 GLN A 72 7.788 6.154 -16.333 1.00 3.44 N ATOM 0 H GLN A 72 5.056 8.714 -12.556 1.00 52.11 H new ATOM 0 HA GLN A 72 5.220 5.857 -12.590 1.00 24.12 H new ATOM 0 HB2 GLN A 72 7.240 8.042 -13.151 1.00 2.34 H new ATOM 0 HB3 GLN A 72 7.585 6.334 -13.330 1.00 2.34 H new ATOM 0 HG2 GLN A 72 5.658 6.185 -14.959 1.00 23.03 H new ATOM 0 HG3 GLN A 72 5.498 7.927 -14.856 1.00 23.03 H new ATOM 0 HE21 GLN A 72 7.459 5.249 -15.997 1.00 3.44 H new ATOM 0 HE22 GLN A 72 8.509 6.200 -17.053 1.00 3.44 H new ATOM 997 N THR A 73 6.727 7.511 -10.180 1.00 21.30 N ATOM 998 CA THR A 73 7.350 7.335 -8.872 1.00 25.41 C ATOM 999 C THR A 73 6.397 6.587 -7.935 1.00 55.33 C ATOM 1000 O THR A 73 6.821 5.745 -7.134 1.00 71.11 O ATOM 1001 CB THR A 73 7.756 8.690 -8.247 1.00 11.24 C ATOM 1002 OG1 THR A 73 8.642 9.383 -9.137 1.00 70.15 O ATOM 1003 CG2 THR A 73 8.455 8.486 -6.906 1.00 64.22 C ATOM 0 H THR A 73 6.528 8.480 -10.430 1.00 21.30 H new ATOM 0 HA THR A 73 8.258 6.748 -9.010 1.00 25.41 H new ATOM 0 HB THR A 73 6.851 9.276 -8.085 1.00 11.24 H new ATOM 0 HG1 THR A 73 8.167 9.605 -9.965 1.00 70.15 H new ATOM 0 HG21 THR A 73 8.730 9.454 -6.488 1.00 64.22 H new ATOM 0 HG22 THR A 73 7.782 7.972 -6.219 1.00 64.22 H new ATOM 0 HG23 THR A 73 9.353 7.885 -7.051 1.00 64.22 H new ATOM 1011 N PHE A 74 5.104 6.875 -8.068 1.00 2.00 N ATOM 1012 CA PHE A 74 4.089 6.186 -7.289 1.00 11.13 C ATOM 1013 C PHE A 74 4.082 4.707 -7.672 1.00 42.33 C ATOM 1014 O PHE A 74 3.967 3.830 -6.824 1.00 64.21 O ATOM 1015 CB PHE A 74 2.709 6.813 -7.529 1.00 4.45 C ATOM 1016 CG PHE A 74 1.602 6.169 -6.738 1.00 62.21 C ATOM 1017 CD1 PHE A 74 1.557 6.291 -5.358 1.00 62.52 C ATOM 1018 CD2 PHE A 74 0.605 5.445 -7.375 1.00 61.01 C ATOM 1019 CE1 PHE A 74 0.542 5.703 -4.628 1.00 45.34 C ATOM 1020 CE2 PHE A 74 -0.413 4.855 -6.650 1.00 43.41 C ATOM 1021 CZ PHE A 74 -0.444 4.983 -5.275 1.00 1.40 C ATOM 0 H PHE A 74 4.739 7.580 -8.708 1.00 2.00 H new ATOM 0 HA PHE A 74 4.320 6.282 -6.228 1.00 11.13 H new ATOM 0 HB2 PHE A 74 2.753 7.873 -7.278 1.00 4.45 H new ATOM 0 HB3 PHE A 74 2.470 6.747 -8.590 1.00 4.45 H new ATOM 0 HD1 PHE A 74 2.325 6.853 -4.847 1.00 62.52 H new ATOM 0 HD2 PHE A 74 0.624 5.341 -8.450 1.00 61.01 H new ATOM 0 HE1 PHE A 74 0.519 5.806 -3.553 1.00 45.34 H new ATOM 0 HE2 PHE A 74 -1.184 4.294 -7.158 1.00 43.41 H new ATOM 0 HZ PHE A 74 -1.238 4.521 -4.707 1.00 1.40 H new ATOM 1031 N SER A 75 4.211 4.453 -8.962 1.00 11.32 N ATOM 1032 CA SER A 75 4.287 3.093 -9.475 1.00 61.04 C ATOM 1033 C SER A 75 5.453 2.326 -8.824 1.00 63.20 C ATOM 1034 O SER A 75 5.308 1.163 -8.447 1.00 0.51 O ATOM 1035 CB SER A 75 4.435 3.106 -11.000 1.00 70.14 C ATOM 1036 OG SER A 75 3.364 3.815 -11.611 1.00 75.13 O ATOM 0 H SER A 75 4.266 5.176 -9.680 1.00 11.32 H new ATOM 0 HA SER A 75 3.360 2.579 -9.220 1.00 61.04 H new ATOM 0 HB2 SER A 75 5.384 3.568 -11.273 1.00 70.14 H new ATOM 0 HB3 SER A 75 4.459 2.083 -11.375 1.00 70.14 H new ATOM 0 HG SER A 75 3.429 4.766 -11.383 1.00 75.13 H new ATOM 1042 N GLN A 76 6.591 3.003 -8.661 1.00 43.13 N ATOM 1043 CA GLN A 76 7.780 2.390 -8.066 1.00 1.33 C ATOM 1044 C GLN A 76 7.521 1.972 -6.617 1.00 64.14 C ATOM 1045 O GLN A 76 7.733 0.812 -6.244 1.00 35.44 O ATOM 1046 CB GLN A 76 8.969 3.362 -8.109 1.00 15.45 C ATOM 1047 CG GLN A 76 9.360 3.820 -9.507 1.00 44.44 C ATOM 1048 CD GLN A 76 9.744 2.672 -10.419 1.00 32.30 C ATOM 1049 OE1 GLN A 76 10.245 1.640 -9.968 1.00 42.51 O ATOM 1050 NE2 GLN A 76 9.524 2.851 -11.704 1.00 14.21 N ATOM 0 H GLN A 76 6.714 3.978 -8.933 1.00 43.13 H new ATOM 0 HA GLN A 76 8.017 1.501 -8.651 1.00 1.33 H new ATOM 0 HB2 GLN A 76 8.727 4.238 -7.508 1.00 15.45 H new ATOM 0 HB3 GLN A 76 9.830 2.883 -7.643 1.00 15.45 H new ATOM 0 HG2 GLN A 76 8.528 4.367 -9.951 1.00 44.44 H new ATOM 0 HG3 GLN A 76 10.196 4.515 -9.435 1.00 44.44 H new ATOM 0 HE21 GLN A 76 9.107 3.722 -12.034 1.00 14.21 H new ATOM 0 HE22 GLN A 76 9.770 2.119 -12.370 1.00 14.21 H new ATOM 1059 N GLN A 77 7.068 2.927 -5.809 1.00 14.25 N ATOM 1060 CA GLN A 77 6.802 2.687 -4.385 1.00 63.24 C ATOM 1061 C GLN A 77 5.743 1.596 -4.164 1.00 23.34 C ATOM 1062 O GLN A 77 5.739 0.933 -3.128 1.00 4.45 O ATOM 1063 CB GLN A 77 6.408 3.986 -3.671 1.00 51.43 C ATOM 1064 CG GLN A 77 5.145 4.625 -4.205 1.00 71.52 C ATOM 1065 CD GLN A 77 4.865 5.971 -3.582 1.00 32.25 C ATOM 1066 OE1 GLN A 77 5.312 6.997 -4.075 1.00 64.52 O ATOM 1067 NE2 GLN A 77 4.117 5.976 -2.498 1.00 2.25 N ATOM 0 H GLN A 77 6.875 3.881 -6.114 1.00 14.25 H new ATOM 0 HA GLN A 77 7.731 2.322 -3.947 1.00 63.24 H new ATOM 0 HB2 GLN A 77 6.277 3.779 -2.609 1.00 51.43 H new ATOM 0 HB3 GLN A 77 7.228 4.699 -3.758 1.00 51.43 H new ATOM 0 HG2 GLN A 77 5.230 4.740 -5.286 1.00 71.52 H new ATOM 0 HG3 GLN A 77 4.301 3.961 -4.020 1.00 71.52 H new ATOM 0 HE21 GLN A 77 3.764 5.098 -2.118 1.00 2.25 H new ATOM 0 HE22 GLN A 77 3.891 6.858 -2.038 1.00 2.25 H new ATOM 1076 N VAL A 78 4.855 1.407 -5.135 1.00 14.33 N ATOM 1077 CA VAL A 78 3.825 0.384 -5.019 1.00 2.15 C ATOM 1078 C VAL A 78 4.362 -0.980 -5.447 1.00 62.42 C ATOM 1079 O VAL A 78 4.061 -1.997 -4.825 1.00 15.51 O ATOM 1080 CB VAL A 78 2.555 0.731 -5.832 1.00 22.21 C ATOM 1081 CG1 VAL A 78 1.538 -0.402 -5.755 1.00 64.34 C ATOM 1082 CG2 VAL A 78 1.939 2.023 -5.320 1.00 11.43 C ATOM 0 H VAL A 78 4.828 1.943 -6.002 1.00 14.33 H new ATOM 0 HA VAL A 78 3.542 0.344 -3.967 1.00 2.15 H new ATOM 0 HB VAL A 78 2.842 0.865 -6.875 1.00 22.21 H new ATOM 0 HG11 VAL A 78 0.653 -0.137 -6.334 1.00 64.34 H new ATOM 0 HG12 VAL A 78 1.977 -1.313 -6.161 1.00 64.34 H new ATOM 0 HG13 VAL A 78 1.255 -0.567 -4.715 1.00 64.34 H new ATOM 0 HG21 VAL A 78 1.046 2.256 -5.901 1.00 11.43 H new ATOM 0 HG22 VAL A 78 1.669 1.906 -4.270 1.00 11.43 H new ATOM 0 HG23 VAL A 78 2.659 2.835 -5.421 1.00 11.43 H new ATOM 1092 N MET A 79 5.175 -1.005 -6.497 1.00 15.41 N ATOM 1093 CA MET A 79 5.776 -2.262 -6.940 1.00 52.33 C ATOM 1094 C MET A 79 6.682 -2.817 -5.847 1.00 11.22 C ATOM 1095 O MET A 79 6.883 -4.025 -5.742 1.00 13.54 O ATOM 1096 CB MET A 79 6.557 -2.080 -8.248 1.00 53.53 C ATOM 1097 CG MET A 79 5.680 -1.720 -9.441 1.00 55.23 C ATOM 1098 SD MET A 79 6.596 -1.650 -10.996 1.00 42.25 S ATOM 1099 CE MET A 79 7.055 -3.371 -11.197 1.00 42.42 C ATOM 0 H MET A 79 5.431 -0.187 -7.050 1.00 15.41 H new ATOM 0 HA MET A 79 4.974 -2.974 -7.134 1.00 52.33 H new ATOM 0 HB2 MET A 79 7.304 -1.299 -8.109 1.00 53.53 H new ATOM 0 HB3 MET A 79 7.096 -3.001 -8.470 1.00 53.53 H new ATOM 0 HG2 MET A 79 4.879 -2.454 -9.530 1.00 55.23 H new ATOM 0 HG3 MET A 79 5.209 -0.754 -9.260 1.00 55.23 H new ATOM 0 HE1 MET A 79 7.302 -3.562 -12.241 1.00 42.42 H new ATOM 0 HE2 MET A 79 7.921 -3.592 -10.573 1.00 42.42 H new ATOM 0 HE3 MET A 79 6.222 -4.007 -10.899 1.00 42.42 H new ATOM 1109 N LEU A 80 7.219 -1.909 -5.030 1.00 23.12 N ATOM 1110 CA LEU A 80 8.058 -2.269 -3.886 1.00 71.52 C ATOM 1111 C LEU A 80 7.342 -3.256 -2.952 1.00 30.23 C ATOM 1112 O LEU A 80 7.984 -4.089 -2.313 1.00 22.34 O ATOM 1113 CB LEU A 80 8.467 -1.009 -3.112 1.00 53.20 C ATOM 1114 CG LEU A 80 9.391 -1.229 -1.909 1.00 50.54 C ATOM 1115 CD1 LEU A 80 10.733 -1.798 -2.353 1.00 71.13 C ATOM 1116 CD2 LEU A 80 9.588 0.071 -1.144 1.00 50.32 C ATOM 0 H LEU A 80 7.085 -0.904 -5.143 1.00 23.12 H new ATOM 0 HA LEU A 80 8.952 -2.760 -4.269 1.00 71.52 H new ATOM 0 HB2 LEU A 80 8.960 -0.326 -3.804 1.00 53.20 H new ATOM 0 HB3 LEU A 80 7.562 -0.511 -2.764 1.00 53.20 H new ATOM 0 HG LEU A 80 8.919 -1.953 -1.245 1.00 50.54 H new ATOM 0 HD11 LEU A 80 11.372 -1.946 -1.482 1.00 71.13 H new ATOM 0 HD12 LEU A 80 10.575 -2.753 -2.854 1.00 71.13 H new ATOM 0 HD13 LEU A 80 11.213 -1.103 -3.041 1.00 71.13 H new ATOM 0 HD21 LEU A 80 10.247 -0.104 -0.293 1.00 50.32 H new ATOM 0 HD22 LEU A 80 10.035 0.816 -1.802 1.00 50.32 H new ATOM 0 HD23 LEU A 80 8.624 0.433 -0.788 1.00 50.32 H new ATOM 1128 N PHE A 81 6.014 -3.176 -2.909 1.00 2.04 N ATOM 1129 CA PHE A 81 5.220 -4.049 -2.051 1.00 51.34 C ATOM 1130 C PHE A 81 5.434 -5.523 -2.400 1.00 60.35 C ATOM 1131 O PHE A 81 5.801 -6.329 -1.545 1.00 63.32 O ATOM 1132 CB PHE A 81 3.728 -3.708 -2.149 1.00 30.02 C ATOM 1133 CG PHE A 81 3.337 -2.409 -1.495 1.00 60.40 C ATOM 1134 CD1 PHE A 81 3.571 -2.198 -0.150 1.00 54.54 C ATOM 1135 CD2 PHE A 81 2.719 -1.409 -2.224 1.00 1.03 C ATOM 1136 CE1 PHE A 81 3.199 -1.016 0.454 1.00 72.14 C ATOM 1137 CE2 PHE A 81 2.348 -0.222 -1.628 1.00 61.11 C ATOM 1138 CZ PHE A 81 2.587 -0.025 -0.286 1.00 32.42 C ATOM 0 H PHE A 81 5.466 -2.515 -3.459 1.00 2.04 H new ATOM 0 HA PHE A 81 5.556 -3.883 -1.027 1.00 51.34 H new ATOM 0 HB2 PHE A 81 3.446 -3.669 -3.201 1.00 30.02 H new ATOM 0 HB3 PHE A 81 3.154 -4.515 -1.695 1.00 30.02 H new ATOM 0 HD1 PHE A 81 4.051 -2.968 0.435 1.00 54.54 H new ATOM 0 HD2 PHE A 81 2.524 -1.560 -3.275 1.00 1.03 H new ATOM 0 HE1 PHE A 81 3.387 -0.865 1.507 1.00 72.14 H new ATOM 0 HE2 PHE A 81 1.871 0.551 -2.212 1.00 61.11 H new ATOM 0 HZ PHE A 81 2.296 0.902 0.186 1.00 32.42 H new ATOM 1148 N THR A 82 5.244 -5.858 -3.665 1.00 40.45 N ATOM 1149 CA THR A 82 5.347 -7.242 -4.109 1.00 22.43 C ATOM 1150 C THR A 82 6.810 -7.687 -4.255 1.00 25.13 C ATOM 1151 O THR A 82 7.091 -8.865 -4.475 1.00 3.20 O ATOM 1152 CB THR A 82 4.582 -7.468 -5.447 1.00 40.34 C ATOM 1153 OG1 THR A 82 4.630 -8.850 -5.822 1.00 33.12 O ATOM 1154 CG2 THR A 82 5.170 -6.619 -6.570 1.00 14.22 C ATOM 0 H THR A 82 5.018 -5.192 -4.404 1.00 40.45 H new ATOM 0 HA THR A 82 4.882 -7.855 -3.337 1.00 22.43 H new ATOM 0 HB THR A 82 3.546 -7.169 -5.289 1.00 40.34 H new ATOM 0 HG1 THR A 82 5.426 -9.267 -5.432 1.00 33.12 H new ATOM 0 HG21 THR A 82 4.615 -6.799 -7.491 1.00 14.22 H new ATOM 0 HG22 THR A 82 5.100 -5.564 -6.304 1.00 14.22 H new ATOM 0 HG23 THR A 82 6.216 -6.887 -6.719 1.00 14.22 H new ATOM 1162 N ARG A 83 7.738 -6.750 -4.109 1.00 65.33 N ATOM 1163 CA ARG A 83 9.154 -7.066 -4.243 1.00 14.40 C ATOM 1164 C ARG A 83 9.679 -7.864 -3.050 1.00 24.32 C ATOM 1165 O ARG A 83 10.723 -8.514 -3.148 1.00 71.41 O ATOM 1166 CB ARG A 83 9.991 -5.800 -4.460 1.00 3.33 C ATOM 1167 CG ARG A 83 9.802 -5.174 -5.837 1.00 63.25 C ATOM 1168 CD ARG A 83 10.668 -3.938 -6.022 1.00 11.23 C ATOM 1169 NE ARG A 83 12.094 -4.230 -5.893 1.00 0.43 N ATOM 1170 CZ ARG A 83 13.053 -3.306 -5.948 1.00 23.11 C ATOM 1171 NH1 ARG A 83 12.739 -2.025 -6.120 1.00 25.41 N ATOM 1172 NH2 ARG A 83 14.322 -3.661 -5.825 1.00 3.41 N ATOM 0 H ARG A 83 7.538 -5.772 -3.899 1.00 65.33 H new ATOM 0 HA ARG A 83 9.254 -7.696 -5.127 1.00 14.40 H new ATOM 0 HB2 ARG A 83 9.730 -5.066 -3.697 1.00 3.33 H new ATOM 0 HB3 ARG A 83 11.045 -6.043 -4.322 1.00 3.33 H new ATOM 0 HG2 ARG A 83 10.047 -5.907 -6.606 1.00 63.25 H new ATOM 0 HG3 ARG A 83 8.754 -4.907 -5.974 1.00 63.25 H new ATOM 0 HD2 ARG A 83 10.476 -3.507 -7.005 1.00 11.23 H new ATOM 0 HD3 ARG A 83 10.386 -3.187 -5.284 1.00 11.23 H new ATOM 0 HE ARG A 83 12.373 -5.201 -5.752 1.00 0.43 H new ATOM 0 HH11 ARG A 83 11.762 -1.747 -6.210 1.00 25.41 H new ATOM 0 HH12 ARG A 83 13.475 -1.321 -6.162 1.00 25.41 H new ATOM 0 HH21 ARG A 83 14.566 -4.642 -5.688 1.00 3.41 H new ATOM 0 HH22 ARG A 83 15.056 -2.954 -5.867 1.00 3.41 H new ATOM 1186 N GLN A 84 8.963 -7.818 -1.921 1.00 61.11 N ATOM 1187 CA GLN A 84 9.387 -8.568 -0.737 1.00 34.32 C ATOM 1188 C GLN A 84 8.264 -8.806 0.281 1.00 15.21 C ATOM 1189 O GLN A 84 8.519 -8.898 1.480 1.00 71.20 O ATOM 1190 CB GLN A 84 10.624 -7.923 -0.080 1.00 51.13 C ATOM 1191 CG GLN A 84 10.660 -6.399 -0.105 1.00 70.42 C ATOM 1192 CD GLN A 84 9.806 -5.732 0.958 1.00 62.14 C ATOM 1193 OE1 GLN A 84 9.296 -4.641 0.748 1.00 21.14 O ATOM 1194 NE2 GLN A 84 9.675 -6.358 2.113 1.00 65.24 N ATOM 0 H GLN A 84 8.104 -7.280 -1.804 1.00 61.11 H new ATOM 0 HA GLN A 84 9.667 -9.558 -1.096 1.00 34.32 H new ATOM 0 HB2 GLN A 84 10.677 -8.253 0.957 1.00 51.13 H new ATOM 0 HB3 GLN A 84 11.517 -8.299 -0.580 1.00 51.13 H new ATOM 0 HG2 GLN A 84 11.692 -6.070 0.017 1.00 70.42 H new ATOM 0 HG3 GLN A 84 10.330 -6.056 -1.086 1.00 70.42 H new ATOM 0 HE21 GLN A 84 10.115 -7.268 2.253 1.00 65.24 H new ATOM 0 HE22 GLN A 84 9.134 -5.932 2.866 1.00 65.24 H new ATOM 1203 N GLY A 85 7.032 -8.943 -0.201 1.00 23.10 N ATOM 1204 CA GLY A 85 5.913 -9.261 0.687 1.00 71.02 C ATOM 1205 C GLY A 85 5.513 -8.127 1.617 1.00 71.44 C ATOM 1206 O GLY A 85 4.963 -8.367 2.695 1.00 51.13 O ATOM 0 H GLY A 85 6.783 -8.841 -1.185 1.00 23.10 H new ATOM 0 HA2 GLY A 85 5.051 -9.540 0.081 1.00 71.02 H new ATOM 0 HA3 GLY A 85 6.176 -10.132 1.287 1.00 71.02 H new ATOM 1210 N GLN A 86 5.787 -6.910 1.214 1.00 70.45 N ATOM 1211 CA GLN A 86 5.430 -5.742 2.001 1.00 0.44 C ATOM 1212 C GLN A 86 4.003 -5.314 1.669 1.00 50.34 C ATOM 1213 O GLN A 86 3.584 -5.406 0.516 1.00 24.12 O ATOM 1214 CB GLN A 86 6.413 -4.605 1.706 1.00 62.01 C ATOM 1215 CG GLN A 86 6.164 -3.325 2.483 1.00 4.53 C ATOM 1216 CD GLN A 86 7.183 -2.245 2.163 1.00 64.10 C ATOM 1217 OE1 GLN A 86 8.227 -2.146 2.809 1.00 30.23 O ATOM 1218 NE2 GLN A 86 6.888 -1.430 1.169 1.00 75.04 N ATOM 0 H GLN A 86 6.261 -6.696 0.337 1.00 70.45 H new ATOM 0 HA GLN A 86 5.483 -5.986 3.062 1.00 0.44 H new ATOM 0 HB2 GLN A 86 7.423 -4.953 1.922 1.00 62.01 H new ATOM 0 HB3 GLN A 86 6.375 -4.379 0.640 1.00 62.01 H new ATOM 0 HG2 GLN A 86 5.164 -2.955 2.257 1.00 4.53 H new ATOM 0 HG3 GLN A 86 6.191 -3.541 3.551 1.00 4.53 H new ATOM 0 HE21 GLN A 86 6.013 -1.545 0.658 1.00 75.04 H new ATOM 0 HE22 GLN A 86 7.535 -0.685 0.911 1.00 75.04 H new ATOM 1227 N GLN A 87 3.246 -4.875 2.667 1.00 13.53 N ATOM 1228 CA GLN A 87 1.884 -4.403 2.430 1.00 71.30 C ATOM 1229 C GLN A 87 1.585 -3.182 3.295 1.00 34.31 C ATOM 1230 O GLN A 87 0.442 -2.928 3.679 1.00 62.41 O ATOM 1231 CB GLN A 87 0.881 -5.524 2.747 1.00 52.25 C ATOM 1232 CG GLN A 87 0.996 -6.070 4.168 1.00 22.01 C ATOM 1233 CD GLN A 87 -0.058 -7.116 4.499 1.00 63.22 C ATOM 1234 OE1 GLN A 87 0.190 -8.033 5.281 1.00 24.02 O ATOM 1235 NE2 GLN A 87 -1.243 -6.974 3.937 1.00 54.24 N ATOM 0 H GLN A 87 3.547 -4.835 3.641 1.00 13.53 H new ATOM 0 HA GLN A 87 1.790 -4.120 1.382 1.00 71.30 H new ATOM 0 HB2 GLN A 87 -0.130 -5.148 2.593 1.00 52.25 H new ATOM 0 HB3 GLN A 87 1.028 -6.341 2.041 1.00 52.25 H new ATOM 0 HG2 GLN A 87 1.986 -6.506 4.303 1.00 22.01 H new ATOM 0 HG3 GLN A 87 0.913 -5.244 4.875 1.00 22.01 H new ATOM 0 HE21 GLN A 87 -1.413 -6.201 3.293 1.00 54.24 H new ATOM 0 HE22 GLN A 87 -1.989 -7.637 4.146 1.00 54.24 H new ATOM 1244 N SER A 88 2.616 -2.405 3.551 1.00 51.35 N ATOM 1245 CA SER A 88 2.520 -1.199 4.353 1.00 21.20 C ATOM 1246 C SER A 88 3.592 -0.226 3.884 1.00 5.42 C ATOM 1247 O SER A 88 4.646 -0.657 3.413 1.00 30.14 O ATOM 1248 CB SER A 88 2.714 -1.526 5.834 1.00 63.13 C ATOM 1249 OG SER A 88 1.803 -2.530 6.260 1.00 5.04 O ATOM 0 H SER A 88 3.557 -2.593 3.205 1.00 51.35 H new ATOM 0 HA SER A 88 1.533 -0.753 4.234 1.00 21.20 H new ATOM 0 HB2 SER A 88 3.737 -1.863 6.004 1.00 63.13 H new ATOM 0 HB3 SER A 88 2.572 -0.625 6.430 1.00 63.13 H new ATOM 0 HG SER A 88 1.949 -2.722 7.210 1.00 5.04 H new ATOM 1255 N ALA A 89 3.345 1.065 4.009 1.00 72.15 N ATOM 1256 CA ALA A 89 4.306 2.044 3.521 1.00 44.13 C ATOM 1257 C ALA A 89 4.098 3.417 4.116 1.00 1.45 C ATOM 1258 O ALA A 89 3.054 4.033 3.926 1.00 42.35 O ATOM 1259 CB ALA A 89 4.256 2.134 2.000 1.00 21.43 C ATOM 0 H ALA A 89 2.505 1.457 4.435 1.00 72.15 H new ATOM 0 HA ALA A 89 5.288 1.694 3.839 1.00 44.13 H new ATOM 0 HB1 ALA A 89 4.981 2.871 1.655 1.00 21.43 H new ATOM 0 HB2 ALA A 89 4.494 1.161 1.570 1.00 21.43 H new ATOM 0 HB3 ALA A 89 3.256 2.434 1.686 1.00 21.43 H new ATOM 1265 N GLN A 90 5.093 3.896 4.826 1.00 24.32 N ATOM 1266 CA GLN A 90 5.078 5.250 5.322 1.00 1.32 C ATOM 1267 C GLN A 90 6.090 6.041 4.527 1.00 11.45 C ATOM 1268 O GLN A 90 7.291 5.783 4.609 1.00 0.23 O ATOM 1269 CB GLN A 90 5.427 5.303 6.810 1.00 1.50 C ATOM 1270 CG GLN A 90 4.468 4.538 7.702 1.00 5.40 C ATOM 1271 CD GLN A 90 4.729 4.786 9.172 1.00 13.01 C ATOM 1272 OE1 GLN A 90 5.566 3.968 9.768 1.00 41.12 O flip ATOM 1273 NE2 GLN A 90 4.175 5.714 9.764 1.00 42.42 N flip ATOM 0 H GLN A 90 5.927 3.363 5.073 1.00 24.32 H new ATOM 0 HA GLN A 90 4.078 5.669 5.209 1.00 1.32 H new ATOM 0 HB2 GLN A 90 6.432 4.905 6.950 1.00 1.50 H new ATOM 0 HB3 GLN A 90 5.450 6.345 7.129 1.00 1.50 H new ATOM 0 HG2 GLN A 90 3.444 4.827 7.463 1.00 5.40 H new ATOM 0 HG3 GLN A 90 4.555 3.471 7.495 1.00 5.40 H new ATOM 0 HE21 GLN A 90 3.531 6.326 9.263 1.00 42.42 H new ATOM 0 HE22 GLN A 90 4.360 5.870 10.755 1.00 42.42 H new ATOM 1282 N LEU A 91 5.622 6.991 3.760 1.00 3.33 N ATOM 1283 CA LEU A 91 6.503 7.745 2.905 1.00 63.44 C ATOM 1284 C LEU A 91 6.212 9.228 3.002 1.00 63.02 C ATOM 1285 O LEU A 91 5.106 9.629 3.367 1.00 15.25 O ATOM 1286 CB LEU A 91 6.349 7.268 1.453 1.00 11.32 C ATOM 1287 CG LEU A 91 7.382 7.799 0.457 1.00 50.14 C ATOM 1288 CD1 LEU A 91 8.771 7.300 0.812 1.00 53.14 C ATOM 1289 CD2 LEU A 91 7.015 7.391 -0.959 1.00 32.44 C ATOM 0 H LEU A 91 4.640 7.261 3.709 1.00 3.33 H new ATOM 0 HA LEU A 91 7.530 7.580 3.232 1.00 63.44 H new ATOM 0 HB2 LEU A 91 6.391 6.179 1.443 1.00 11.32 H new ATOM 0 HB3 LEU A 91 5.357 7.552 1.102 1.00 11.32 H new ATOM 0 HG LEU A 91 7.384 8.888 0.512 1.00 50.14 H new ATOM 0 HD11 LEU A 91 9.492 7.688 0.092 1.00 53.14 H new ATOM 0 HD12 LEU A 91 9.036 7.643 1.812 1.00 53.14 H new ATOM 0 HD13 LEU A 91 8.784 6.210 0.787 1.00 53.14 H new ATOM 0 HD21 LEU A 91 7.761 7.777 -1.654 1.00 32.44 H new ATOM 0 HD22 LEU A 91 6.984 6.304 -1.028 1.00 32.44 H new ATOM 0 HD23 LEU A 91 6.037 7.799 -1.213 1.00 32.44 H new ATOM 1301 N ARG A 92 7.206 10.030 2.667 1.00 33.12 N ATOM 1302 CA ARG A 92 7.062 11.471 2.676 1.00 35.45 C ATOM 1303 C ARG A 92 6.221 11.872 1.469 1.00 51.34 C ATOM 1304 O ARG A 92 6.520 11.486 0.334 1.00 53.35 O ATOM 1305 CB ARG A 92 8.455 12.132 2.635 1.00 34.24 C ATOM 1306 CG ARG A 92 8.505 13.576 3.125 1.00 63.44 C ATOM 1307 CD ARG A 92 7.932 14.555 2.115 1.00 2.32 C ATOM 1308 NE ARG A 92 7.906 15.914 2.647 1.00 45.53 N ATOM 1309 CZ ARG A 92 7.814 17.018 1.904 1.00 73.20 C ATOM 1310 NH1 ARG A 92 7.764 16.935 0.573 1.00 20.43 N ATOM 1311 NH2 ARG A 92 7.780 18.206 2.498 1.00 72.35 N ATOM 0 H ARG A 92 8.129 9.702 2.383 1.00 33.12 H new ATOM 0 HA ARG A 92 6.564 11.806 3.586 1.00 35.45 H new ATOM 0 HB2 ARG A 92 9.140 11.537 3.239 1.00 34.24 H new ATOM 0 HB3 ARG A 92 8.824 12.100 1.610 1.00 34.24 H new ATOM 0 HG2 ARG A 92 7.951 13.658 4.060 1.00 63.44 H new ATOM 0 HG3 ARG A 92 9.538 13.847 3.342 1.00 63.44 H new ATOM 0 HD2 ARG A 92 8.529 14.531 1.203 1.00 2.32 H new ATOM 0 HD3 ARG A 92 6.922 14.250 1.843 1.00 2.32 H new ATOM 0 HE ARG A 92 7.962 16.028 3.659 1.00 45.53 H new ATOM 0 HH11 ARG A 92 7.796 16.023 0.117 1.00 20.43 H new ATOM 0 HH12 ARG A 92 7.694 17.784 0.011 1.00 20.43 H new ATOM 0 HH21 ARG A 92 7.824 18.269 3.515 1.00 72.35 H new ATOM 0 HH22 ARG A 92 7.710 19.055 1.937 1.00 72.35 H new ATOM 1325 N LEU A 93 5.186 12.655 1.722 1.00 61.45 N ATOM 1326 CA LEU A 93 4.198 12.987 0.709 1.00 33.35 C ATOM 1327 C LEU A 93 3.677 14.402 0.910 1.00 24.05 C ATOM 1328 O LEU A 93 3.870 15.000 1.967 1.00 1.41 O ATOM 1329 CB LEU A 93 3.008 12.013 0.813 1.00 20.55 C ATOM 1330 CG LEU A 93 2.722 11.117 -0.400 1.00 42.32 C ATOM 1331 CD1 LEU A 93 2.552 11.941 -1.667 1.00 55.51 C ATOM 1332 CD2 LEU A 93 3.806 10.065 -0.567 1.00 2.43 C ATOM 0 H LEU A 93 5.007 13.078 2.633 1.00 61.45 H new ATOM 0 HA LEU A 93 4.672 12.911 -0.269 1.00 33.35 H new ATOM 0 HB2 LEU A 93 3.174 11.369 1.676 1.00 20.55 H new ATOM 0 HB3 LEU A 93 2.111 12.597 1.019 1.00 20.55 H new ATOM 0 HG LEU A 93 1.780 10.599 -0.218 1.00 42.32 H new ATOM 0 HD11 LEU A 93 2.351 11.278 -2.508 1.00 55.51 H new ATOM 0 HD12 LEU A 93 1.718 12.632 -1.542 1.00 55.51 H new ATOM 0 HD13 LEU A 93 3.465 12.504 -1.860 1.00 55.51 H new ATOM 0 HD21 LEU A 93 3.579 9.443 -1.433 1.00 2.43 H new ATOM 0 HD22 LEU A 93 4.769 10.555 -0.713 1.00 2.43 H new ATOM 0 HD23 LEU A 93 3.848 9.441 0.326 1.00 2.43 H new ATOM 1344 N HIS A 94 3.022 14.928 -0.114 1.00 25.33 N ATOM 1345 CA HIS A 94 2.375 16.229 -0.032 1.00 53.53 C ATOM 1346 C HIS A 94 0.869 16.012 0.145 1.00 41.42 C ATOM 1347 O HIS A 94 0.360 14.961 -0.241 1.00 44.22 O ATOM 1348 CB HIS A 94 2.663 17.076 -1.300 1.00 40.51 C ATOM 1349 CG HIS A 94 2.062 16.538 -2.575 1.00 64.25 C ATOM 1350 ND1 HIS A 94 2.795 15.877 -3.531 1.00 63.24 N ATOM 1351 CD2 HIS A 94 0.790 16.581 -3.048 1.00 14.43 C ATOM 1352 CE1 HIS A 94 2.006 15.534 -4.531 1.00 23.22 C ATOM 1353 NE2 HIS A 94 0.783 15.950 -4.265 1.00 34.41 N ATOM 0 H HIS A 94 2.924 14.469 -1.020 1.00 25.33 H new ATOM 0 HA HIS A 94 2.772 16.780 0.821 1.00 53.53 H new ATOM 0 HB2 HIS A 94 2.288 18.086 -1.137 1.00 40.51 H new ATOM 0 HB3 HIS A 94 3.742 17.154 -1.429 1.00 40.51 H new ATOM 0 HD2 HIS A 94 -0.060 17.030 -2.556 1.00 14.43 H new ATOM 0 HE1 HIS A 94 2.311 15.001 -5.420 1.00 23.22 H new ATOM 0 HE2 HIS A 94 -0.032 15.823 -4.865 1.00 34.41 H new ATOM 1362 N PRO A 95 0.120 16.986 0.702 1.00 51.12 N ATOM 1363 CA PRO A 95 0.640 18.295 1.158 1.00 35.35 C ATOM 1364 C PRO A 95 1.680 18.176 2.270 1.00 62.33 C ATOM 1365 O PRO A 95 1.720 17.179 2.999 1.00 31.42 O ATOM 1366 CB PRO A 95 -0.611 19.004 1.686 1.00 51.45 C ATOM 1367 CG PRO A 95 -1.745 18.309 1.027 1.00 1.51 C ATOM 1368 CD PRO A 95 -1.324 16.882 0.929 1.00 23.05 C ATOM 0 HA PRO A 95 1.153 18.821 0.353 1.00 35.35 H new ATOM 0 HB2 PRO A 95 -0.679 18.931 2.771 1.00 51.45 H new ATOM 0 HB3 PRO A 95 -0.599 20.065 1.438 1.00 51.45 H new ATOM 0 HG2 PRO A 95 -2.661 18.410 1.609 1.00 1.51 H new ATOM 0 HG3 PRO A 95 -1.945 18.729 0.041 1.00 1.51 H new ATOM 0 HD2 PRO A 95 -1.552 16.329 1.841 1.00 23.05 H new ATOM 0 HD3 PRO A 95 -1.826 16.367 0.110 1.00 23.05 H new ATOM 1376 N GLU A 96 2.497 19.212 2.408 1.00 5.34 N ATOM 1377 CA GLU A 96 3.580 19.218 3.378 1.00 31.10 C ATOM 1378 C GLU A 96 3.063 19.337 4.806 1.00 3.32 C ATOM 1379 O GLU A 96 3.772 18.997 5.751 1.00 2.11 O ATOM 1380 CB GLU A 96 4.574 20.333 3.068 1.00 32.32 C ATOM 1381 CG GLU A 96 5.183 20.227 1.681 1.00 51.33 C ATOM 1382 CD GLU A 96 6.333 21.181 1.475 1.00 21.33 C ATOM 1383 OE1 GLU A 96 7.471 20.828 1.844 1.00 30.43 O ATOM 1384 OE2 GLU A 96 6.111 22.282 0.928 1.00 75.50 O ATOM 0 H GLU A 96 2.427 20.066 1.854 1.00 5.34 H new ATOM 0 HA GLU A 96 4.095 18.261 3.298 1.00 31.10 H new ATOM 0 HB2 GLU A 96 4.071 21.295 3.164 1.00 32.32 H new ATOM 0 HB3 GLU A 96 5.372 20.315 3.810 1.00 32.32 H new ATOM 0 HG2 GLU A 96 5.529 19.206 1.518 1.00 51.33 H new ATOM 0 HG3 GLU A 96 4.414 20.426 0.935 1.00 51.33 H new ATOM 1391 N GLU A 97 1.833 19.843 4.962 1.00 53.40 N ATOM 1392 CA GLU A 97 1.203 19.924 6.281 1.00 42.14 C ATOM 1393 C GLU A 97 1.216 18.551 6.957 1.00 63.13 C ATOM 1394 O GLU A 97 1.482 18.441 8.155 1.00 14.55 O ATOM 1395 CB GLU A 97 -0.222 20.490 6.189 1.00 64.02 C ATOM 1396 CG GLU A 97 -1.039 19.928 5.047 1.00 34.41 C ATOM 1397 CD GLU A 97 -2.436 20.494 4.997 1.00 52.24 C ATOM 1398 OE1 GLU A 97 -2.606 21.610 4.474 1.00 30.23 O ATOM 1399 OE2 GLU A 97 -3.378 19.815 5.461 1.00 54.32 O ATOM 0 H GLU A 97 1.260 20.199 4.197 1.00 53.40 H new ATOM 0 HA GLU A 97 1.781 20.615 6.895 1.00 42.14 H new ATOM 0 HB2 GLU A 97 -0.742 20.290 7.126 1.00 64.02 H new ATOM 0 HB3 GLU A 97 -0.165 21.573 6.081 1.00 64.02 H new ATOM 0 HG2 GLU A 97 -0.532 20.138 4.105 1.00 34.41 H new ATOM 0 HG3 GLU A 97 -1.094 18.844 5.144 1.00 34.41 H new ATOM 1406 N LEU A 98 0.922 17.512 6.180 1.00 12.55 N ATOM 1407 CA LEU A 98 1.055 16.148 6.660 1.00 33.54 C ATOM 1408 C LEU A 98 2.529 15.797 6.687 1.00 71.00 C ATOM 1409 O LEU A 98 3.151 15.704 7.743 1.00 2.42 O ATOM 1410 CB LEU A 98 0.309 15.143 5.751 1.00 3.21 C ATOM 1411 CG LEU A 98 -1.216 15.082 5.884 1.00 20.32 C ATOM 1412 CD1 LEU A 98 -1.865 16.353 5.375 1.00 33.13 C ATOM 1413 CD2 LEU A 98 -1.763 13.869 5.146 1.00 50.32 C ATOM 0 H LEU A 98 0.591 17.593 5.218 1.00 12.55 H new ATOM 0 HA LEU A 98 0.614 16.084 7.655 1.00 33.54 H new ATOM 0 HB2 LEU A 98 0.549 15.381 4.715 1.00 3.21 H new ATOM 0 HB3 LEU A 98 0.706 14.148 5.950 1.00 3.21 H new ATOM 0 HG LEU A 98 -1.458 14.987 6.943 1.00 20.32 H new ATOM 0 HD11 LEU A 98 -2.947 16.278 5.483 1.00 33.13 H new ATOM 0 HD12 LEU A 98 -1.501 17.203 5.951 1.00 33.13 H new ATOM 0 HD13 LEU A 98 -1.615 16.494 4.324 1.00 33.13 H new ATOM 0 HD21 LEU A 98 -2.848 13.839 5.249 1.00 50.32 H new ATOM 0 HD22 LEU A 98 -1.501 13.937 4.090 1.00 50.32 H new ATOM 0 HD23 LEU A 98 -1.333 12.961 5.569 1.00 50.32 H new ATOM 1425 N GLY A 99 3.070 15.593 5.497 1.00 44.04 N ATOM 1426 CA GLY A 99 4.474 15.307 5.345 1.00 25.11 C ATOM 1427 C GLY A 99 4.705 13.852 5.058 1.00 52.03 C ATOM 1428 O GLY A 99 5.697 13.481 4.446 1.00 10.22 O ATOM 0 H GLY A 99 2.548 15.622 4.621 1.00 44.04 H new ATOM 0 HA2 GLY A 99 4.885 15.910 4.535 1.00 25.11 H new ATOM 0 HA3 GLY A 99 5.006 15.590 6.254 1.00 25.11 H new ATOM 1432 N GLN A 100 3.775 13.030 5.491 1.00 61.43 N ATOM 1433 CA GLN A 100 3.860 11.602 5.288 1.00 2.21 C ATOM 1434 C GLN A 100 2.483 10.971 5.185 1.00 71.32 C ATOM 1435 O GLN A 100 1.529 11.426 5.820 1.00 3.33 O ATOM 1436 CB GLN A 100 4.710 10.935 6.379 1.00 63.43 C ATOM 1437 CG GLN A 100 4.389 11.379 7.794 1.00 72.22 C ATOM 1438 CD GLN A 100 5.449 10.929 8.777 1.00 73.21 C ATOM 1439 OE1 GLN A 100 6.437 11.625 8.995 1.00 13.14 O ATOM 1440 NE2 GLN A 100 5.251 9.779 9.382 1.00 13.23 N ATOM 0 H GLN A 100 2.940 13.333 5.993 1.00 61.43 H new ATOM 0 HA GLN A 100 4.362 11.434 4.335 1.00 2.21 H new ATOM 0 HB2 GLN A 100 4.579 9.855 6.313 1.00 63.43 H new ATOM 0 HB3 GLN A 100 5.761 11.141 6.178 1.00 63.43 H new ATOM 0 HG2 GLN A 100 4.303 12.465 7.824 1.00 72.22 H new ATOM 0 HG3 GLN A 100 3.422 10.974 8.092 1.00 72.22 H new ATOM 0 HE21 GLN A 100 4.417 9.230 9.173 1.00 13.23 H new ATOM 0 HE22 GLN A 100 5.931 9.436 10.060 1.00 13.23 H new ATOM 1449 N VAL A 101 2.392 9.929 4.380 1.00 1.44 N ATOM 1450 CA VAL A 101 1.145 9.208 4.156 1.00 53.53 C ATOM 1451 C VAL A 101 1.398 7.713 4.284 1.00 24.41 C ATOM 1452 O VAL A 101 2.356 7.193 3.703 1.00 40.41 O ATOM 1453 CB VAL A 101 0.563 9.515 2.746 1.00 52.43 C ATOM 1454 CG1 VAL A 101 -0.576 8.565 2.402 1.00 11.33 C ATOM 1455 CG2 VAL A 101 0.085 10.960 2.666 1.00 70.41 C ATOM 0 H VAL A 101 3.184 9.554 3.858 1.00 1.44 H new ATOM 0 HA VAL A 101 0.421 9.533 4.903 1.00 53.53 H new ATOM 0 HB VAL A 101 1.361 9.368 2.018 1.00 52.43 H new ATOM 0 HG11 VAL A 101 -0.962 8.804 1.411 1.00 11.33 H new ATOM 0 HG12 VAL A 101 -0.209 7.539 2.411 1.00 11.33 H new ATOM 0 HG13 VAL A 101 -1.373 8.671 3.138 1.00 11.33 H new ATOM 0 HG21 VAL A 101 -0.319 11.155 1.672 1.00 70.41 H new ATOM 0 HG22 VAL A 101 -0.691 11.128 3.412 1.00 70.41 H new ATOM 0 HG23 VAL A 101 0.923 11.631 2.856 1.00 70.41 H new ATOM 1465 N HIS A 102 0.574 7.028 5.069 1.00 51.44 N ATOM 1466 CA HIS A 102 0.729 5.591 5.267 1.00 34.23 C ATOM 1467 C HIS A 102 -0.192 4.831 4.333 1.00 31.50 C ATOM 1468 O HIS A 102 -1.414 4.879 4.483 1.00 75.41 O ATOM 1469 CB HIS A 102 0.388 5.183 6.713 1.00 14.42 C ATOM 1470 CG HIS A 102 0.626 6.234 7.748 1.00 70.41 C ATOM 1471 ND1 HIS A 102 1.759 6.836 8.163 1.00 11.41 N flip ATOM 1472 CD2 HIS A 102 -0.384 6.772 8.506 1.00 31.55 C flip ATOM 1473 CE1 HIS A 102 1.412 7.714 9.153 1.00 55.13 C flip ATOM 1474 NE2 HIS A 102 0.111 7.656 9.336 1.00 74.54 N flip ATOM 0 H HIS A 102 -0.207 7.443 5.578 1.00 51.44 H new ATOM 0 HA HIS A 102 1.771 5.347 5.059 1.00 34.23 H new ATOM 0 HB2 HIS A 102 -0.661 4.890 6.752 1.00 14.42 H new ATOM 0 HB3 HIS A 102 0.975 4.302 6.972 1.00 14.42 H new ATOM 0 HD2 HIS A 102 -1.428 6.507 8.430 1.00 31.55 H new ATOM 0 HE1 HIS A 102 2.095 8.351 9.696 1.00 55.13 H new ATOM 0 HE2 HIS A 102 -0.422 8.206 10.010 1.00 74.54 H new ATOM 1483 N ILE A 103 0.376 4.146 3.371 1.00 64.20 N ATOM 1484 CA ILE A 103 -0.397 3.332 2.459 1.00 51.52 C ATOM 1485 C ILE A 103 -0.632 1.935 3.055 1.00 41.15 C ATOM 1486 O ILE A 103 0.065 1.508 3.983 1.00 34.20 O ATOM 1487 CB ILE A 103 0.334 3.222 1.080 1.00 5.13 C ATOM 1488 CG1 ILE A 103 0.676 4.622 0.557 1.00 42.04 C ATOM 1489 CG2 ILE A 103 -0.516 2.476 0.048 1.00 71.54 C ATOM 1490 CD1 ILE A 103 1.517 4.618 -0.701 1.00 3.14 C ATOM 0 H ILE A 103 1.381 4.135 3.197 1.00 64.20 H new ATOM 0 HA ILE A 103 -1.365 3.807 2.303 1.00 51.52 H new ATOM 0 HB ILE A 103 1.251 2.653 1.234 1.00 5.13 H new ATOM 0 HG12 ILE A 103 -0.250 5.162 0.361 1.00 42.04 H new ATOM 0 HG13 ILE A 103 1.207 5.170 1.335 1.00 42.04 H new ATOM 0 HG21 ILE A 103 0.025 2.420 -0.897 1.00 71.54 H new ATOM 0 HG22 ILE A 103 -0.724 1.468 0.408 1.00 71.54 H new ATOM 0 HG23 ILE A 103 -1.455 3.008 -0.103 1.00 71.54 H new ATOM 0 HD11 ILE A 103 1.717 5.645 -1.008 1.00 3.14 H new ATOM 0 HD12 ILE A 103 2.460 4.107 -0.507 1.00 3.14 H new ATOM 0 HD13 ILE A 103 0.981 4.099 -1.496 1.00 3.14 H new ATOM 1502 N SER A 104 -1.608 1.247 2.507 1.00 21.15 N ATOM 1503 CA SER A 104 -2.049 -0.027 3.021 1.00 22.52 C ATOM 1504 C SER A 104 -2.395 -0.951 1.864 1.00 55.42 C ATOM 1505 O SER A 104 -3.050 -0.537 0.904 1.00 61.14 O ATOM 1506 CB SER A 104 -3.252 0.168 3.944 1.00 64.10 C ATOM 1507 OG SER A 104 -2.913 0.982 5.057 1.00 2.52 O ATOM 0 H SER A 104 -2.122 1.561 1.684 1.00 21.15 H new ATOM 0 HA SER A 104 -1.247 -0.483 3.602 1.00 22.52 H new ATOM 0 HB2 SER A 104 -4.070 0.627 3.389 1.00 64.10 H new ATOM 0 HB3 SER A 104 -3.608 -0.801 4.293 1.00 64.10 H new ATOM 0 HG SER A 104 -3.699 1.094 5.632 1.00 2.52 H new ATOM 1513 N LEU A 105 -1.959 -2.190 1.950 1.00 24.15 N ATOM 1514 CA LEU A 105 -2.177 -3.136 0.877 1.00 44.12 C ATOM 1515 C LEU A 105 -2.786 -4.424 1.405 1.00 22.32 C ATOM 1516 O LEU A 105 -2.452 -4.881 2.495 1.00 1.13 O ATOM 1517 CB LEU A 105 -0.854 -3.443 0.166 1.00 24.33 C ATOM 1518 CG LEU A 105 -0.931 -4.444 -0.991 1.00 75.13 C ATOM 1519 CD1 LEU A 105 -1.680 -3.850 -2.168 1.00 74.04 C ATOM 1520 CD2 LEU A 105 0.458 -4.891 -1.408 1.00 72.11 C ATOM 0 H LEU A 105 -1.452 -2.565 2.751 1.00 24.15 H new ATOM 0 HA LEU A 105 -2.873 -2.689 0.167 1.00 44.12 H new ATOM 0 HB2 LEU A 105 -0.444 -2.508 -0.215 1.00 24.33 H new ATOM 0 HB3 LEU A 105 -0.148 -3.824 0.904 1.00 24.33 H new ATOM 0 HG LEU A 105 -1.481 -5.320 -0.646 1.00 75.13 H new ATOM 0 HD11 LEU A 105 -1.722 -4.579 -2.978 1.00 74.04 H new ATOM 0 HD12 LEU A 105 -2.693 -3.590 -1.861 1.00 74.04 H new ATOM 0 HD13 LEU A 105 -1.164 -2.954 -2.513 1.00 74.04 H new ATOM 0 HD21 LEU A 105 0.380 -5.602 -2.231 1.00 72.11 H new ATOM 0 HD22 LEU A 105 1.037 -4.026 -1.730 1.00 72.11 H new ATOM 0 HD23 LEU A 105 0.956 -5.367 -0.563 1.00 72.11 H new ATOM 1532 N LYS A 106 -3.671 -4.994 0.622 1.00 74.44 N ATOM 1533 CA LYS A 106 -4.309 -6.248 0.951 1.00 25.42 C ATOM 1534 C LYS A 106 -4.157 -7.168 -0.250 1.00 74.32 C ATOM 1535 O LYS A 106 -4.695 -6.889 -1.315 1.00 45.30 O ATOM 1536 CB LYS A 106 -5.786 -6.014 1.288 1.00 22.42 C ATOM 1537 CG LYS A 106 -6.460 -7.186 1.974 1.00 72.41 C ATOM 1538 CD LYS A 106 -7.839 -6.807 2.484 1.00 12.01 C ATOM 1539 CE LYS A 106 -8.456 -7.932 3.295 1.00 55.21 C ATOM 1540 NZ LYS A 106 -9.754 -7.537 3.891 1.00 21.34 N ATOM 0 H LYS A 106 -3.971 -4.598 -0.269 1.00 74.44 H new ATOM 0 HA LYS A 106 -3.846 -6.704 1.826 1.00 25.42 H new ATOM 0 HB2 LYS A 106 -5.866 -5.137 1.930 1.00 22.42 H new ATOM 0 HB3 LYS A 106 -6.325 -5.786 0.368 1.00 22.42 H new ATOM 0 HG2 LYS A 106 -6.544 -8.019 1.276 1.00 72.41 H new ATOM 0 HG3 LYS A 106 -5.843 -7.527 2.805 1.00 72.41 H new ATOM 0 HD2 LYS A 106 -7.768 -5.910 3.099 1.00 12.01 H new ATOM 0 HD3 LYS A 106 -8.487 -6.566 1.641 1.00 12.01 H new ATOM 0 HE2 LYS A 106 -8.600 -8.803 2.656 1.00 55.21 H new ATOM 0 HE3 LYS A 106 -7.768 -8.228 4.087 1.00 55.21 H new ATOM 0 HZ1 LYS A 106 -10.142 -8.333 4.437 1.00 21.34 H new ATOM 0 HZ2 LYS A 106 -9.613 -6.722 4.521 1.00 21.34 H new ATOM 0 HZ3 LYS A 106 -10.419 -7.279 3.134 1.00 21.34 H new ATOM 1554 N LEU A 107 -3.430 -8.254 -0.078 1.00 74.44 N ATOM 1555 CA LEU A 107 -3.077 -9.115 -1.201 1.00 31.40 C ATOM 1556 C LEU A 107 -3.556 -10.540 -0.969 1.00 61.24 C ATOM 1557 O LEU A 107 -3.225 -11.161 0.043 1.00 51.03 O ATOM 1558 CB LEU A 107 -1.548 -9.086 -1.395 1.00 31.43 C ATOM 1559 CG LEU A 107 -0.999 -9.505 -2.773 1.00 50.34 C ATOM 1560 CD1 LEU A 107 0.478 -9.183 -2.853 1.00 65.22 C ATOM 1561 CD2 LEU A 107 -1.219 -10.989 -3.042 1.00 54.55 C ATOM 0 H LEU A 107 -3.070 -8.565 0.824 1.00 74.44 H new ATOM 0 HA LEU A 107 -3.568 -8.745 -2.101 1.00 31.40 H new ATOM 0 HB2 LEU A 107 -1.202 -8.073 -1.188 1.00 31.43 H new ATOM 0 HB3 LEU A 107 -1.101 -9.736 -0.643 1.00 31.43 H new ATOM 0 HG LEU A 107 -1.543 -8.945 -3.534 1.00 50.34 H new ATOM 0 HD11 LEU A 107 0.863 -9.480 -3.828 1.00 65.22 H new ATOM 0 HD12 LEU A 107 0.625 -8.112 -2.716 1.00 65.22 H new ATOM 0 HD13 LEU A 107 1.011 -9.725 -2.072 1.00 65.22 H new ATOM 0 HD21 LEU A 107 -0.818 -11.244 -4.023 1.00 54.55 H new ATOM 0 HD22 LEU A 107 -0.710 -11.577 -2.278 1.00 54.55 H new ATOM 0 HD23 LEU A 107 -2.286 -11.209 -3.018 1.00 54.55 H new ATOM 1573 N ASP A 108 -4.312 -11.059 -1.922 1.00 10.54 N ATOM 1574 CA ASP A 108 -4.834 -12.415 -1.847 1.00 20.11 C ATOM 1575 C ASP A 108 -4.901 -13.019 -3.238 1.00 21.21 C ATOM 1576 O ASP A 108 -5.264 -12.337 -4.190 1.00 31.21 O ATOM 1577 CB ASP A 108 -6.232 -12.438 -1.203 1.00 21.43 C ATOM 1578 CG ASP A 108 -6.214 -12.093 0.274 1.00 25.21 C ATOM 1579 OD1 ASP A 108 -5.769 -12.935 1.084 1.00 34.12 O ATOM 1580 OD2 ASP A 108 -6.649 -10.978 0.641 1.00 40.32 O ATOM 0 H ASP A 108 -4.581 -10.555 -2.767 1.00 10.54 H new ATOM 0 HA ASP A 108 -4.161 -13.004 -1.224 1.00 20.11 H new ATOM 0 HB2 ASP A 108 -6.878 -11.733 -1.727 1.00 21.43 H new ATOM 0 HB3 ASP A 108 -6.669 -13.428 -1.333 1.00 21.43 H new ATOM 1585 N ASP A 109 -4.546 -14.299 -3.341 1.00 60.24 N ATOM 1586 CA ASP A 109 -4.544 -15.040 -4.621 1.00 74.53 C ATOM 1587 C ASP A 109 -3.691 -14.341 -5.694 1.00 52.41 C ATOM 1588 O ASP A 109 -2.485 -14.554 -5.783 1.00 13.32 O ATOM 1589 CB ASP A 109 -5.981 -15.252 -5.145 1.00 34.44 C ATOM 1590 CG ASP A 109 -6.839 -16.086 -4.218 1.00 41.13 C ATOM 1591 OD1 ASP A 109 -6.826 -17.328 -4.344 1.00 13.34 O ATOM 1592 OD2 ASP A 109 -7.544 -15.503 -3.362 1.00 62.32 O ATOM 0 H ASP A 109 -4.250 -14.861 -2.543 1.00 60.24 H new ATOM 0 HA ASP A 109 -4.095 -16.012 -4.417 1.00 74.53 H new ATOM 0 HB2 ASP A 109 -6.454 -14.281 -5.291 1.00 34.44 H new ATOM 0 HB3 ASP A 109 -5.937 -15.735 -6.121 1.00 34.44 H new ATOM 1597 N ASN A 110 -4.338 -13.489 -6.477 1.00 41.32 N ATOM 1598 CA ASN A 110 -3.695 -12.738 -7.558 1.00 70.25 C ATOM 1599 C ASN A 110 -4.375 -11.389 -7.689 1.00 73.12 C ATOM 1600 O ASN A 110 -4.382 -10.765 -8.754 1.00 53.32 O ATOM 1601 CB ASN A 110 -3.785 -13.498 -8.896 1.00 64.14 C ATOM 1602 CG ASN A 110 -2.904 -14.733 -8.954 1.00 5.10 C ATOM 1603 OD1 ASN A 110 -3.325 -15.833 -8.595 1.00 34.15 O ATOM 1604 ND2 ASN A 110 -1.684 -14.566 -9.426 1.00 10.22 N ATOM 0 H ASN A 110 -5.335 -13.294 -6.382 1.00 41.32 H new ATOM 0 HA ASN A 110 -2.640 -12.609 -7.316 1.00 70.25 H new ATOM 0 HB2 ASN A 110 -4.820 -13.792 -9.068 1.00 64.14 H new ATOM 0 HB3 ASN A 110 -3.506 -12.824 -9.706 1.00 64.14 H new ATOM 0 HD21 ASN A 110 -1.054 -15.364 -9.504 1.00 10.22 H new ATOM 0 HD22 ASN A 110 -1.371 -13.639 -9.714 1.00 10.22 H new ATOM 1611 N GLN A 111 -4.889 -10.929 -6.572 1.00 42.44 N ATOM 1612 CA GLN A 111 -5.625 -9.686 -6.510 1.00 42.24 C ATOM 1613 C GLN A 111 -5.241 -8.913 -5.268 1.00 24.32 C ATOM 1614 O GLN A 111 -4.950 -9.499 -4.220 1.00 23.23 O ATOM 1615 CB GLN A 111 -7.148 -9.941 -6.568 1.00 11.24 C ATOM 1616 CG GLN A 111 -7.694 -10.854 -5.470 1.00 22.10 C ATOM 1617 CD GLN A 111 -8.348 -10.095 -4.325 1.00 14.54 C ATOM 1618 OE1 GLN A 111 -9.547 -9.822 -4.352 1.00 73.41 O ATOM 1619 NE2 GLN A 111 -7.573 -9.754 -3.319 1.00 73.31 N ATOM 0 H GLN A 111 -4.808 -11.409 -5.675 1.00 42.44 H new ATOM 0 HA GLN A 111 -5.364 -9.083 -7.380 1.00 42.24 H new ATOM 0 HB2 GLN A 111 -7.664 -8.982 -6.512 1.00 11.24 H new ATOM 0 HB3 GLN A 111 -7.391 -10.378 -7.537 1.00 11.24 H new ATOM 0 HG2 GLN A 111 -8.422 -11.539 -5.905 1.00 22.10 H new ATOM 0 HG3 GLN A 111 -6.880 -11.462 -5.075 1.00 22.10 H new ATOM 0 HE21 GLN A 111 -6.583 -9.998 -3.332 1.00 73.31 H new ATOM 0 HE22 GLN A 111 -7.962 -9.245 -2.525 1.00 73.31 H new ATOM 1628 N ALA A 112 -5.205 -7.612 -5.390 1.00 3.44 N ATOM 1629 CA ALA A 112 -4.846 -6.770 -4.279 1.00 11.35 C ATOM 1630 C ALA A 112 -5.745 -5.557 -4.208 1.00 65.21 C ATOM 1631 O ALA A 112 -6.086 -4.964 -5.237 1.00 30.44 O ATOM 1632 CB ALA A 112 -3.394 -6.347 -4.391 1.00 4.02 C ATOM 0 H ALA A 112 -5.421 -7.111 -6.252 1.00 3.44 H new ATOM 0 HA ALA A 112 -4.976 -7.341 -3.360 1.00 11.35 H new ATOM 0 HB1 ALA A 112 -3.134 -5.711 -3.545 1.00 4.02 H new ATOM 0 HB2 ALA A 112 -2.756 -7.231 -4.389 1.00 4.02 H new ATOM 0 HB3 ALA A 112 -3.246 -5.795 -5.319 1.00 4.02 H new ATOM 1638 N GLN A 113 -6.165 -5.218 -3.011 1.00 25.44 N ATOM 1639 CA GLN A 113 -6.973 -4.045 -2.778 1.00 33.44 C ATOM 1640 C GLN A 113 -6.104 -2.923 -2.227 1.00 61.42 C ATOM 1641 O GLN A 113 -5.350 -3.127 -1.270 1.00 53.52 O ATOM 1642 CB GLN A 113 -8.080 -4.385 -1.779 1.00 75.51 C ATOM 1643 CG GLN A 113 -8.918 -3.198 -1.331 1.00 13.25 C ATOM 1644 CD GLN A 113 -9.956 -3.589 -0.300 1.00 33.34 C ATOM 1645 OE1 GLN A 113 -9.759 -4.527 0.470 1.00 14.43 O ATOM 1646 NE2 GLN A 113 -11.065 -2.882 -0.280 1.00 23.24 N ATOM 0 H GLN A 113 -5.954 -5.752 -2.168 1.00 25.44 H new ATOM 0 HA GLN A 113 -7.420 -3.717 -3.716 1.00 33.44 H new ATOM 0 HB2 GLN A 113 -8.739 -5.129 -2.227 1.00 75.51 H new ATOM 0 HB3 GLN A 113 -7.629 -4.846 -0.900 1.00 75.51 H new ATOM 0 HG2 GLN A 113 -8.265 -2.431 -0.914 1.00 13.25 H new ATOM 0 HG3 GLN A 113 -9.415 -2.759 -2.196 1.00 13.25 H new ATOM 0 HE21 GLN A 113 -11.190 -2.111 -0.936 1.00 23.24 H new ATOM 0 HE22 GLN A 113 -11.800 -3.105 0.391 1.00 23.24 H new ATOM 1655 N LEU A 114 -6.198 -1.755 -2.831 1.00 2.12 N ATOM 1656 CA LEU A 114 -5.421 -0.613 -2.385 1.00 43.21 C ATOM 1657 C LEU A 114 -6.215 0.250 -1.432 1.00 33.21 C ATOM 1658 O LEU A 114 -7.220 0.857 -1.816 1.00 73.25 O ATOM 1659 CB LEU A 114 -4.958 0.239 -3.569 1.00 21.50 C ATOM 1660 CG LEU A 114 -3.938 -0.399 -4.506 1.00 53.12 C ATOM 1661 CD1 LEU A 114 -3.572 0.566 -5.614 1.00 12.15 C ATOM 1662 CD2 LEU A 114 -2.693 -0.822 -3.740 1.00 71.32 C ATOM 0 H LEU A 114 -6.803 -1.571 -3.631 1.00 2.12 H new ATOM 0 HA LEU A 114 -4.547 -1.006 -1.866 1.00 43.21 H new ATOM 0 HB2 LEU A 114 -5.835 0.515 -4.155 1.00 21.50 H new ATOM 0 HB3 LEU A 114 -4.532 1.163 -3.179 1.00 21.50 H new ATOM 0 HG LEU A 114 -4.386 -1.289 -4.948 1.00 53.12 H new ATOM 0 HD11 LEU A 114 -2.843 0.100 -6.277 1.00 12.15 H new ATOM 0 HD12 LEU A 114 -4.466 0.824 -6.182 1.00 12.15 H new ATOM 0 HD13 LEU A 114 -3.143 1.470 -5.182 1.00 12.15 H new ATOM 0 HD21 LEU A 114 -1.979 -1.275 -4.428 1.00 71.32 H new ATOM 0 HD22 LEU A 114 -2.241 0.051 -3.270 1.00 71.32 H new ATOM 0 HD23 LEU A 114 -2.966 -1.546 -2.973 1.00 71.32 H new ATOM 1674 N GLN A 115 -5.788 0.286 -0.190 1.00 52.24 N ATOM 1675 CA GLN A 115 -6.392 1.157 0.788 1.00 72.30 C ATOM 1676 C GLN A 115 -5.573 2.434 0.860 1.00 40.41 C ATOM 1677 O GLN A 115 -4.349 2.398 0.707 1.00 55.42 O ATOM 1678 CB GLN A 115 -6.490 0.481 2.156 1.00 64.24 C ATOM 1679 CG GLN A 115 -7.423 -0.721 2.186 1.00 25.32 C ATOM 1680 CD GLN A 115 -7.651 -1.245 3.590 1.00 23.01 C ATOM 1681 OE1 GLN A 115 -8.576 -0.819 4.281 1.00 32.45 O ATOM 1682 NE2 GLN A 115 -6.816 -2.171 4.019 1.00 13.41 N ATOM 0 H GLN A 115 -5.020 -0.282 0.167 1.00 52.24 H new ATOM 0 HA GLN A 115 -7.413 1.391 0.487 1.00 72.30 H new ATOM 0 HB2 GLN A 115 -5.494 0.163 2.465 1.00 64.24 H new ATOM 0 HB3 GLN A 115 -6.833 1.213 2.888 1.00 64.24 H new ATOM 0 HG2 GLN A 115 -8.381 -0.444 1.745 1.00 25.32 H new ATOM 0 HG3 GLN A 115 -7.006 -1.516 1.568 1.00 25.32 H new ATOM 0 HE21 GLN A 115 -6.062 -2.497 3.415 1.00 13.41 H new ATOM 0 HE22 GLN A 115 -6.924 -2.561 4.955 1.00 13.41 H new ATOM 1691 N MET A 116 -6.225 3.552 1.102 1.00 63.32 N ATOM 1692 CA MET A 116 -5.542 4.835 1.049 1.00 64.15 C ATOM 1693 C MET A 116 -6.082 5.824 2.059 1.00 74.43 C ATOM 1694 O MET A 116 -7.275 5.840 2.364 1.00 63.23 O ATOM 1695 CB MET A 116 -5.621 5.432 -0.360 1.00 3.34 C ATOM 1696 CG MET A 116 -4.616 4.845 -1.343 1.00 54.21 C ATOM 1697 SD MET A 116 -4.899 5.394 -3.035 1.00 14.41 S ATOM 1698 CE MET A 116 -6.383 4.472 -3.444 1.00 63.14 C ATOM 0 H MET A 116 -7.217 3.603 1.335 1.00 63.32 H new ATOM 0 HA MET A 116 -4.500 4.644 1.305 1.00 64.15 H new ATOM 0 HB2 MET A 116 -6.627 5.280 -0.751 1.00 3.34 H new ATOM 0 HB3 MET A 116 -5.464 6.509 -0.296 1.00 3.34 H new ATOM 0 HG2 MET A 116 -3.608 5.126 -1.038 1.00 54.21 H new ATOM 0 HG3 MET A 116 -4.669 3.757 -1.304 1.00 54.21 H new ATOM 0 HE1 MET A 116 -6.170 3.785 -4.263 1.00 63.14 H new ATOM 0 HE2 MET A 116 -6.712 3.907 -2.572 1.00 63.14 H new ATOM 0 HE3 MET A 116 -7.169 5.164 -3.746 1.00 63.14 H new ATOM 1708 N VAL A 117 -5.187 6.655 2.556 1.00 40.02 N ATOM 1709 CA VAL A 117 -5.518 7.725 3.476 1.00 23.13 C ATOM 1710 C VAL A 117 -4.816 8.982 2.991 1.00 60.41 C ATOM 1711 O VAL A 117 -3.594 9.008 2.883 1.00 54.33 O ATOM 1712 CB VAL A 117 -5.081 7.410 4.936 1.00 62.43 C ATOM 1713 CG1 VAL A 117 -5.388 8.587 5.855 1.00 60.44 C ATOM 1714 CG2 VAL A 117 -5.772 6.150 5.448 1.00 65.41 C ATOM 0 H VAL A 117 -4.194 6.605 2.328 1.00 40.02 H new ATOM 0 HA VAL A 117 -6.601 7.851 3.494 1.00 23.13 H new ATOM 0 HB VAL A 117 -4.004 7.239 4.936 1.00 62.43 H new ATOM 0 HG11 VAL A 117 -5.075 8.347 6.871 1.00 60.44 H new ATOM 0 HG12 VAL A 117 -4.850 9.469 5.509 1.00 60.44 H new ATOM 0 HG13 VAL A 117 -6.459 8.788 5.843 1.00 60.44 H new ATOM 0 HG21 VAL A 117 -5.452 5.949 6.470 1.00 65.41 H new ATOM 0 HG22 VAL A 117 -6.852 6.294 5.428 1.00 65.41 H new ATOM 0 HG23 VAL A 117 -5.507 5.305 4.812 1.00 65.41 H new ATOM 1724 N SER A 118 -5.579 10.005 2.687 1.00 32.11 N ATOM 1725 CA SER A 118 -5.033 11.236 2.114 1.00 14.43 C ATOM 1726 C SER A 118 -6.037 12.358 2.296 1.00 4.52 C ATOM 1727 O SER A 118 -7.202 12.090 2.524 1.00 11.23 O ATOM 1728 CB SER A 118 -4.771 11.053 0.602 1.00 65.54 C ATOM 1729 OG SER A 118 -4.128 9.816 0.319 1.00 65.10 O ATOM 0 H SER A 118 -6.590 10.019 2.824 1.00 32.11 H new ATOM 0 HA SER A 118 -4.097 11.474 2.619 1.00 14.43 H new ATOM 0 HB2 SER A 118 -5.716 11.102 0.062 1.00 65.54 H new ATOM 0 HB3 SER A 118 -4.153 11.874 0.239 1.00 65.54 H new ATOM 0 HG SER A 118 -3.981 9.737 -0.647 1.00 65.10 H new ATOM 1735 N PRO A 119 -5.605 13.628 2.213 1.00 74.31 N ATOM 1736 CA PRO A 119 -6.522 14.767 2.293 1.00 55.13 C ATOM 1737 C PRO A 119 -7.565 14.718 1.176 1.00 75.02 C ATOM 1738 O PRO A 119 -7.416 13.968 0.199 1.00 4.20 O ATOM 1739 CB PRO A 119 -5.606 15.984 2.107 1.00 32.44 C ATOM 1740 CG PRO A 119 -4.251 15.495 2.472 1.00 64.10 C ATOM 1741 CD PRO A 119 -4.207 14.056 2.057 1.00 43.55 C ATOM 0 HA PRO A 119 -7.081 14.784 3.229 1.00 55.13 H new ATOM 0 HB2 PRO A 119 -5.633 16.346 1.079 1.00 32.44 H new ATOM 0 HB3 PRO A 119 -5.913 16.812 2.745 1.00 32.44 H new ATOM 0 HG2 PRO A 119 -3.478 16.072 1.964 1.00 64.10 H new ATOM 0 HG3 PRO A 119 -4.074 15.598 3.543 1.00 64.10 H new ATOM 0 HD2 PRO A 119 -3.862 13.942 1.030 1.00 43.55 H new ATOM 0 HD3 PRO A 119 -3.533 13.474 2.686 1.00 43.55 H new ATOM 1749 N HIS A 120 -8.597 15.520 1.297 1.00 22.32 N ATOM 1750 CA HIS A 120 -9.653 15.514 0.313 1.00 44.23 C ATOM 1751 C HIS A 120 -9.465 16.691 -0.634 1.00 12.53 C ATOM 1752 O HIS A 120 -9.616 17.845 -0.236 1.00 2.41 O ATOM 1753 CB HIS A 120 -11.021 15.586 1.005 1.00 74.23 C ATOM 1754 CG HIS A 120 -12.158 15.090 0.164 1.00 22.31 C ATOM 1755 ND1 HIS A 120 -13.136 15.910 -0.349 1.00 60.00 N ATOM 1756 CD2 HIS A 120 -12.475 13.837 -0.240 1.00 22.52 C ATOM 1757 CE1 HIS A 120 -14.003 15.185 -1.033 1.00 63.25 C ATOM 1758 NE2 HIS A 120 -13.624 13.923 -0.983 1.00 35.35 N ATOM 0 H HIS A 120 -8.727 16.181 2.063 1.00 22.32 H new ATOM 0 HA HIS A 120 -9.612 14.588 -0.261 1.00 44.23 H new ATOM 0 HB2 HIS A 120 -10.982 15.003 1.925 1.00 74.23 H new ATOM 0 HB3 HIS A 120 -11.218 16.619 1.291 1.00 74.23 H new ATOM 0 HD2 HIS A 120 -11.924 12.935 -0.018 1.00 22.52 H new ATOM 0 HE1 HIS A 120 -14.875 15.562 -1.546 1.00 63.25 H new ATOM 0 HE2 HIS A 120 -14.106 13.140 -1.424 1.00 35.35 H new ATOM 1767 N SER A 121 -9.132 16.393 -1.877 1.00 43.33 N ATOM 1768 CA SER A 121 -8.894 17.417 -2.886 1.00 10.33 C ATOM 1769 C SER A 121 -8.816 16.775 -4.269 1.00 33.54 C ATOM 1770 O SER A 121 -9.024 15.568 -4.406 1.00 21.04 O ATOM 1771 CB SER A 121 -7.603 18.190 -2.570 1.00 74.41 C ATOM 1772 OG SER A 121 -6.496 17.316 -2.458 1.00 1.21 O ATOM 0 H SER A 121 -9.018 15.438 -2.218 1.00 43.33 H new ATOM 0 HA SER A 121 -9.723 18.124 -2.877 1.00 10.33 H new ATOM 0 HB2 SER A 121 -7.413 18.922 -3.355 1.00 74.41 H new ATOM 0 HB3 SER A 121 -7.727 18.745 -1.640 1.00 74.41 H new ATOM 0 HG SER A 121 -5.689 17.835 -2.259 1.00 1.21 H new ATOM 1778 N HIS A 122 -8.493 17.566 -5.290 1.00 30.23 N ATOM 1779 CA HIS A 122 -8.460 17.053 -6.661 1.00 1.25 C ATOM 1780 C HIS A 122 -7.269 16.113 -6.907 1.00 55.33 C ATOM 1781 O HIS A 122 -7.190 15.472 -7.952 1.00 11.01 O ATOM 1782 CB HIS A 122 -8.502 18.194 -7.705 1.00 74.24 C ATOM 1783 CG HIS A 122 -7.185 18.862 -7.988 1.00 72.12 C ATOM 1784 ND1 HIS A 122 -6.420 18.556 -9.086 1.00 65.23 N ATOM 1785 CD2 HIS A 122 -6.517 19.837 -7.331 1.00 63.03 C ATOM 1786 CE1 HIS A 122 -5.343 19.307 -9.097 1.00 12.21 C ATOM 1787 NE2 HIS A 122 -5.374 20.097 -8.043 1.00 34.30 N ATOM 0 H HIS A 122 -8.253 18.553 -5.198 1.00 30.23 H new ATOM 0 HA HIS A 122 -9.365 16.459 -6.788 1.00 1.25 H new ATOM 0 HB2 HIS A 122 -8.894 17.793 -8.640 1.00 74.24 H new ATOM 0 HB3 HIS A 122 -9.207 18.951 -7.362 1.00 74.24 H new ATOM 0 HD2 HIS A 122 -6.826 20.321 -6.416 1.00 63.03 H new ATOM 0 HE1 HIS A 122 -4.563 19.281 -9.844 1.00 12.21 H new ATOM 0 HE2 HIS A 122 -4.665 20.788 -7.797 1.00 34.30 H new ATOM 1796 N VAL A 123 -6.347 16.022 -5.934 1.00 53.33 N ATOM 1797 CA VAL A 123 -5.200 15.094 -6.041 1.00 1.21 C ATOM 1798 C VAL A 123 -5.694 13.651 -6.049 1.00 52.12 C ATOM 1799 O VAL A 123 -4.964 12.716 -6.390 1.00 61.40 O ATOM 1800 CB VAL A 123 -4.195 15.266 -4.874 1.00 61.35 C ATOM 1801 CG1 VAL A 123 -3.643 16.679 -4.840 1.00 70.23 C ATOM 1802 CG2 VAL A 123 -4.835 14.903 -3.539 1.00 51.23 C ATOM 0 H VAL A 123 -6.369 16.570 -5.074 1.00 53.33 H new ATOM 0 HA VAL A 123 -4.687 15.330 -6.974 1.00 1.21 H new ATOM 0 HB VAL A 123 -3.365 14.580 -5.045 1.00 61.35 H new ATOM 0 HG11 VAL A 123 -2.940 16.775 -4.013 1.00 70.23 H new ATOM 0 HG12 VAL A 123 -3.131 16.892 -5.778 1.00 70.23 H new ATOM 0 HG13 VAL A 123 -4.461 17.386 -4.705 1.00 70.23 H new ATOM 0 HG21 VAL A 123 -4.106 15.033 -2.739 1.00 51.23 H new ATOM 0 HG22 VAL A 123 -5.692 15.551 -3.358 1.00 51.23 H new ATOM 0 HG23 VAL A 123 -5.165 13.864 -3.564 1.00 51.23 H new ATOM 1812 N ARG A 124 -6.947 13.502 -5.687 1.00 43.34 N ATOM 1813 CA ARG A 124 -7.588 12.216 -5.638 1.00 72.41 C ATOM 1814 C ARG A 124 -7.767 11.689 -7.055 1.00 22.23 C ATOM 1815 O ARG A 124 -7.633 10.490 -7.309 1.00 20.23 O ATOM 1816 CB ARG A 124 -8.943 12.331 -4.946 1.00 24.13 C ATOM 1817 CG ARG A 124 -9.578 11.001 -4.569 1.00 14.25 C ATOM 1818 CD ARG A 124 -8.871 10.354 -3.381 1.00 24.44 C ATOM 1819 NE ARG A 124 -7.542 9.825 -3.719 1.00 23.52 N ATOM 1820 CZ ARG A 124 -6.594 9.537 -2.812 1.00 54.42 C ATOM 1821 NH1 ARG A 124 -6.816 9.759 -1.518 1.00 60.00 N ATOM 1822 NH2 ARG A 124 -5.428 9.031 -3.201 1.00 53.21 N ATOM 0 H ARG A 124 -7.552 14.278 -5.417 1.00 43.34 H new ATOM 0 HA ARG A 124 -6.966 11.524 -5.070 1.00 72.41 H new ATOM 0 HB2 ARG A 124 -8.825 12.931 -4.044 1.00 24.13 H new ATOM 0 HB3 ARG A 124 -9.626 12.872 -5.601 1.00 24.13 H new ATOM 0 HG2 ARG A 124 -10.629 11.156 -4.327 1.00 14.25 H new ATOM 0 HG3 ARG A 124 -9.544 10.326 -5.424 1.00 14.25 H new ATOM 0 HD2 ARG A 124 -8.771 11.088 -2.582 1.00 24.44 H new ATOM 0 HD3 ARG A 124 -9.490 9.545 -2.994 1.00 24.44 H new ATOM 0 HE ARG A 124 -7.326 9.667 -4.703 1.00 23.52 H new ATOM 0 HH11 ARG A 124 -7.708 10.149 -1.213 1.00 60.00 H new ATOM 0 HH12 ARG A 124 -6.094 9.539 -0.832 1.00 60.00 H new ATOM 0 HH21 ARG A 124 -5.251 8.860 -4.191 1.00 53.21 H new ATOM 0 HH22 ARG A 124 -4.710 8.813 -2.510 1.00 53.21 H new ATOM 1836 N ALA A 125 -8.026 12.615 -7.976 1.00 12.12 N ATOM 1837 CA ALA A 125 -8.253 12.292 -9.377 1.00 40.12 C ATOM 1838 C ALA A 125 -6.972 11.829 -10.055 1.00 22.33 C ATOM 1839 O ALA A 125 -6.988 10.903 -10.858 1.00 23.11 O ATOM 1840 CB ALA A 125 -8.826 13.502 -10.101 1.00 31.41 C ATOM 0 H ALA A 125 -8.084 13.612 -7.768 1.00 12.12 H new ATOM 0 HA ALA A 125 -8.969 11.471 -9.424 1.00 40.12 H new ATOM 0 HB1 ALA A 125 -8.993 13.253 -11.149 1.00 31.41 H new ATOM 0 HB2 ALA A 125 -9.772 13.788 -9.640 1.00 31.41 H new ATOM 0 HB3 ALA A 125 -8.124 14.333 -10.033 1.00 31.41 H new ATOM 1846 N ALA A 126 -5.856 12.455 -9.704 1.00 11.13 N ATOM 1847 CA ALA A 126 -4.575 12.114 -10.311 1.00 30.11 C ATOM 1848 C ALA A 126 -4.128 10.736 -9.866 1.00 23.34 C ATOM 1849 O ALA A 126 -3.515 9.986 -10.632 1.00 21.24 O ATOM 1850 CB ALA A 126 -3.523 13.153 -9.958 1.00 55.51 C ATOM 0 H ALA A 126 -5.811 13.198 -9.006 1.00 11.13 H new ATOM 0 HA ALA A 126 -4.700 12.105 -11.394 1.00 30.11 H new ATOM 0 HB1 ALA A 126 -2.574 12.881 -10.420 1.00 55.51 H new ATOM 0 HB2 ALA A 126 -3.839 14.130 -10.325 1.00 55.51 H new ATOM 0 HB3 ALA A 126 -3.401 13.194 -8.876 1.00 55.51 H new ATOM 1856 N LEU A 127 -4.448 10.398 -8.630 1.00 54.11 N ATOM 1857 CA LEU A 127 -4.117 9.094 -8.098 1.00 11.20 C ATOM 1858 C LEU A 127 -5.018 8.050 -8.752 1.00 53.40 C ATOM 1859 O LEU A 127 -4.557 6.990 -9.172 1.00 75.21 O ATOM 1860 CB LEU A 127 -4.289 9.088 -6.565 1.00 42.04 C ATOM 1861 CG LEU A 127 -3.463 8.052 -5.769 1.00 72.33 C ATOM 1862 CD1 LEU A 127 -3.852 6.627 -6.123 1.00 74.52 C ATOM 1863 CD2 LEU A 127 -1.974 8.274 -5.986 1.00 4.11 C ATOM 0 H LEU A 127 -4.937 11.011 -7.978 1.00 54.11 H new ATOM 0 HA LEU A 127 -3.077 8.855 -8.319 1.00 11.20 H new ATOM 0 HB2 LEU A 127 -4.037 10.081 -6.192 1.00 42.04 H new ATOM 0 HB3 LEU A 127 -5.343 8.923 -6.343 1.00 42.04 H new ATOM 0 HG LEU A 127 -3.687 8.197 -4.712 1.00 72.33 H new ATOM 0 HD11 LEU A 127 -3.248 5.930 -5.542 1.00 74.52 H new ATOM 0 HD12 LEU A 127 -4.906 6.471 -5.896 1.00 74.52 H new ATOM 0 HD13 LEU A 127 -3.681 6.456 -7.186 1.00 74.52 H new ATOM 0 HD21 LEU A 127 -1.409 7.535 -5.418 1.00 4.11 H new ATOM 0 HD22 LEU A 127 -1.742 8.171 -7.046 1.00 4.11 H new ATOM 0 HD23 LEU A 127 -1.703 9.275 -5.650 1.00 4.11 H new ATOM 1875 N GLU A 128 -6.304 8.378 -8.859 1.00 13.31 N ATOM 1876 CA GLU A 128 -7.276 7.496 -9.487 1.00 2.22 C ATOM 1877 C GLU A 128 -6.892 7.235 -10.945 1.00 61.41 C ATOM 1878 O GLU A 128 -7.001 6.111 -11.439 1.00 32.13 O ATOM 1879 CB GLU A 128 -8.676 8.117 -9.404 1.00 22.32 C ATOM 1880 CG GLU A 128 -9.763 7.303 -10.086 1.00 72.02 C ATOM 1881 CD GLU A 128 -11.137 7.906 -9.901 1.00 2.24 C ATOM 1882 OE1 GLU A 128 -11.407 8.976 -10.486 1.00 75.34 O ATOM 1883 OE2 GLU A 128 -11.948 7.322 -9.155 1.00 13.11 O ATOM 0 H GLU A 128 -6.695 9.255 -8.515 1.00 13.31 H new ATOM 0 HA GLU A 128 -7.283 6.543 -8.957 1.00 2.22 H new ATOM 0 HB2 GLU A 128 -8.941 8.248 -8.355 1.00 22.32 H new ATOM 0 HB3 GLU A 128 -8.647 9.110 -9.852 1.00 22.32 H new ATOM 0 HG2 GLU A 128 -9.543 7.228 -11.151 1.00 72.02 H new ATOM 0 HG3 GLU A 128 -9.758 6.289 -9.687 1.00 72.02 H new ATOM 1890 N ALA A 129 -6.430 8.283 -11.615 1.00 43.35 N ATOM 1891 CA ALA A 129 -6.003 8.202 -13.006 1.00 53.01 C ATOM 1892 C ALA A 129 -4.790 7.294 -13.172 1.00 65.33 C ATOM 1893 O ALA A 129 -4.658 6.597 -14.176 1.00 44.12 O ATOM 1894 CB ALA A 129 -5.685 9.590 -13.528 1.00 30.03 C ATOM 0 H ALA A 129 -6.341 9.214 -11.209 1.00 43.35 H new ATOM 0 HA ALA A 129 -6.822 7.771 -13.582 1.00 53.01 H new ATOM 0 HB1 ALA A 129 -5.366 9.523 -14.568 1.00 30.03 H new ATOM 0 HB2 ALA A 129 -6.574 10.217 -13.460 1.00 30.03 H new ATOM 0 HB3 ALA A 129 -4.886 10.029 -12.931 1.00 30.03 H new ATOM 1900 N ALA A 130 -3.901 7.316 -12.196 1.00 24.21 N ATOM 1901 CA ALA A 130 -2.688 6.513 -12.252 1.00 14.15 C ATOM 1902 C ALA A 130 -2.956 5.023 -12.006 1.00 22.21 C ATOM 1903 O ALA A 130 -2.132 4.180 -12.361 1.00 71.54 O ATOM 1904 CB ALA A 130 -1.655 7.043 -11.266 1.00 73.40 C ATOM 0 H ALA A 130 -3.994 7.882 -11.352 1.00 24.21 H new ATOM 0 HA ALA A 130 -2.293 6.599 -13.264 1.00 14.15 H new ATOM 0 HB1 ALA A 130 -0.754 6.432 -11.320 1.00 73.40 H new ATOM 0 HB2 ALA A 130 -1.409 8.075 -11.516 1.00 73.40 H new ATOM 0 HB3 ALA A 130 -2.062 7.002 -10.256 1.00 73.40 H new ATOM 1910 N LEU A 131 -4.111 4.703 -11.419 1.00 75.11 N ATOM 1911 CA LEU A 131 -4.460 3.308 -11.102 1.00 2.24 C ATOM 1912 C LEU A 131 -4.401 2.367 -12.338 1.00 53.53 C ATOM 1913 O LEU A 131 -3.760 1.315 -12.270 1.00 15.11 O ATOM 1914 CB LEU A 131 -5.825 3.214 -10.398 1.00 41.31 C ATOM 1915 CG LEU A 131 -5.927 3.918 -9.041 1.00 72.23 C ATOM 1916 CD1 LEU A 131 -7.333 3.793 -8.478 1.00 1.01 C ATOM 1917 CD2 LEU A 131 -4.908 3.350 -8.062 1.00 51.05 C ATOM 0 H LEU A 131 -4.821 5.385 -11.153 1.00 75.11 H new ATOM 0 HA LEU A 131 -3.694 2.957 -10.410 1.00 2.24 H new ATOM 0 HB2 LEU A 131 -6.583 3.632 -11.060 1.00 41.31 H new ATOM 0 HB3 LEU A 131 -6.069 2.161 -10.259 1.00 41.31 H new ATOM 0 HG LEU A 131 -5.708 4.976 -9.189 1.00 72.23 H new ATOM 0 HD11 LEU A 131 -7.385 4.299 -7.514 1.00 1.01 H new ATOM 0 HD12 LEU A 131 -8.043 4.250 -9.167 1.00 1.01 H new ATOM 0 HD13 LEU A 131 -7.581 2.739 -8.348 1.00 1.01 H new ATOM 0 HD21 LEU A 131 -4.997 3.864 -7.105 1.00 51.05 H new ATOM 0 HD22 LEU A 131 -5.093 2.285 -7.921 1.00 51.05 H new ATOM 0 HD23 LEU A 131 -3.903 3.494 -8.459 1.00 51.05 H new ATOM 1929 N PRO A 132 -5.062 2.719 -13.488 1.00 14.44 N ATOM 1930 CA PRO A 132 -5.018 1.888 -14.709 1.00 42.11 C ATOM 1931 C PRO A 132 -3.585 1.637 -15.192 1.00 54.32 C ATOM 1932 O PRO A 132 -3.290 0.600 -15.782 1.00 21.03 O ATOM 1933 CB PRO A 132 -5.780 2.723 -15.743 1.00 13.32 C ATOM 1934 CG PRO A 132 -6.674 3.595 -14.937 1.00 52.02 C ATOM 1935 CD PRO A 132 -5.919 3.906 -13.680 1.00 45.03 C ATOM 0 HA PRO A 132 -5.445 0.900 -14.538 1.00 42.11 H new ATOM 0 HB2 PRO A 132 -5.098 3.313 -16.356 1.00 13.32 H new ATOM 0 HB3 PRO A 132 -6.351 2.089 -16.421 1.00 13.32 H new ATOM 0 HG2 PRO A 132 -6.923 4.507 -15.479 1.00 52.02 H new ATOM 0 HG3 PRO A 132 -7.614 3.091 -14.714 1.00 52.02 H new ATOM 0 HD2 PRO A 132 -5.327 4.816 -13.782 1.00 45.03 H new ATOM 0 HD3 PRO A 132 -6.591 4.056 -12.835 1.00 45.03 H new ATOM 1943 N MET A 133 -2.707 2.596 -14.943 1.00 63.32 N ATOM 1944 CA MET A 133 -1.308 2.469 -15.332 1.00 51.31 C ATOM 1945 C MET A 133 -0.578 1.566 -14.345 1.00 62.14 C ATOM 1946 O MET A 133 0.166 0.661 -14.727 1.00 33.15 O ATOM 1947 CB MET A 133 -0.630 3.836 -15.390 1.00 1.52 C ATOM 1948 CG MET A 133 0.775 3.796 -15.976 1.00 20.42 C ATOM 1949 SD MET A 133 1.605 5.394 -15.909 1.00 63.43 S ATOM 1950 CE MET A 133 1.799 5.593 -14.141 1.00 62.32 C ATOM 0 H MET A 133 -2.937 3.472 -14.473 1.00 63.32 H new ATOM 0 HA MET A 133 -1.266 2.026 -16.327 1.00 51.31 H new ATOM 0 HB2 MET A 133 -1.244 4.512 -15.986 1.00 1.52 H new ATOM 0 HB3 MET A 133 -0.583 4.252 -14.384 1.00 1.52 H new ATOM 0 HG2 MET A 133 1.369 3.060 -15.434 1.00 20.42 H new ATOM 0 HG3 MET A 133 0.722 3.462 -17.012 1.00 20.42 H new ATOM 0 HE1 MET A 133 2.532 6.374 -13.941 1.00 62.32 H new ATOM 0 HE2 MET A 133 0.842 5.872 -13.699 1.00 62.32 H new ATOM 0 HE3 MET A 133 2.140 4.654 -13.705 1.00 62.32 H new ATOM 1960 N LEU A 134 -0.810 1.835 -13.070 1.00 13.42 N ATOM 1961 CA LEU A 134 -0.209 1.092 -11.970 1.00 10.12 C ATOM 1962 C LEU A 134 -0.495 -0.405 -12.072 1.00 4.02 C ATOM 1963 O LEU A 134 0.405 -1.232 -11.905 1.00 4.22 O ATOM 1964 CB LEU A 134 -0.740 1.633 -10.644 1.00 75.42 C ATOM 1965 CG LEU A 134 -0.275 0.906 -9.387 1.00 10.13 C ATOM 1966 CD1 LEU A 134 1.226 1.045 -9.217 1.00 70.33 C ATOM 1967 CD2 LEU A 134 -1.007 1.443 -8.170 1.00 73.44 C ATOM 0 H LEU A 134 -1.429 2.586 -12.764 1.00 13.42 H new ATOM 0 HA LEU A 134 0.872 1.224 -12.023 1.00 10.12 H new ATOM 0 HB2 LEU A 134 -0.451 2.681 -10.561 1.00 75.42 H new ATOM 0 HB3 LEU A 134 -1.829 1.604 -10.674 1.00 75.42 H new ATOM 0 HG LEU A 134 -0.508 -0.154 -9.490 1.00 10.13 H new ATOM 0 HD11 LEU A 134 1.540 0.520 -8.315 1.00 70.33 H new ATOM 0 HD12 LEU A 134 1.731 0.615 -10.082 1.00 70.33 H new ATOM 0 HD13 LEU A 134 1.486 2.100 -9.132 1.00 70.33 H new ATOM 0 HD21 LEU A 134 -0.666 0.916 -7.279 1.00 73.44 H new ATOM 0 HD22 LEU A 134 -0.802 2.508 -8.063 1.00 73.44 H new ATOM 0 HD23 LEU A 134 -2.079 1.291 -8.294 1.00 73.44 H new ATOM 1979 N ARG A 135 -1.741 -0.749 -12.375 1.00 3.45 N ATOM 1980 CA ARG A 135 -2.146 -2.146 -12.454 1.00 61.54 C ATOM 1981 C ARG A 135 -1.475 -2.863 -13.618 1.00 30.13 C ATOM 1982 O ARG A 135 -1.389 -4.078 -13.623 1.00 51.13 O ATOM 1983 CB ARG A 135 -3.669 -2.273 -12.540 1.00 21.22 C ATOM 1984 CG ARG A 135 -4.294 -1.570 -13.732 1.00 21.45 C ATOM 1985 CD ARG A 135 -5.805 -1.700 -13.713 1.00 21.51 C ATOM 1986 NE ARG A 135 -6.223 -3.097 -13.788 1.00 51.31 N ATOM 1987 CZ ARG A 135 -7.009 -3.701 -12.897 1.00 4.15 C ATOM 1988 NH1 ARG A 135 -7.521 -3.022 -11.871 1.00 23.22 N ATOM 1989 NH2 ARG A 135 -7.292 -4.990 -13.040 1.00 52.05 N ATOM 0 H ARG A 135 -2.487 -0.081 -12.570 1.00 3.45 H new ATOM 0 HA ARG A 135 -1.815 -2.632 -11.536 1.00 61.54 H new ATOM 0 HB2 ARG A 135 -3.931 -3.330 -12.580 1.00 21.22 H new ATOM 0 HB3 ARG A 135 -4.107 -1.870 -11.626 1.00 21.22 H new ATOM 0 HG2 ARG A 135 -4.017 -0.516 -13.723 1.00 21.45 H new ATOM 0 HG3 ARG A 135 -3.901 -1.995 -14.656 1.00 21.45 H new ATOM 0 HD2 ARG A 135 -6.198 -1.250 -12.802 1.00 21.51 H new ATOM 0 HD3 ARG A 135 -6.229 -1.147 -14.551 1.00 21.51 H new ATOM 0 HE ARG A 135 -5.890 -3.650 -14.578 1.00 51.31 H new ATOM 0 HH11 ARG A 135 -7.313 -2.030 -11.761 1.00 23.22 H new ATOM 0 HH12 ARG A 135 -8.121 -3.495 -11.195 1.00 23.22 H new ATOM 0 HH21 ARG A 135 -6.909 -5.512 -13.828 1.00 52.05 H new ATOM 0 HH22 ARG A 135 -7.893 -5.459 -12.362 1.00 52.05 H new ATOM 2003 N THR A 136 -0.981 -2.105 -14.585 1.00 31.05 N ATOM 2004 CA THR A 136 -0.295 -2.688 -15.721 1.00 21.32 C ATOM 2005 C THR A 136 1.043 -3.290 -15.275 1.00 43.53 C ATOM 2006 O THR A 136 1.363 -4.431 -15.603 1.00 70.34 O ATOM 2007 CB THR A 136 -0.051 -1.640 -16.826 1.00 14.43 C ATOM 2008 OG1 THR A 136 -1.278 -0.962 -17.125 1.00 71.13 O ATOM 2009 CG2 THR A 136 0.482 -2.300 -18.092 1.00 42.24 C ATOM 0 H THR A 136 -1.044 -1.087 -14.603 1.00 31.05 H new ATOM 0 HA THR A 136 -0.931 -3.474 -16.129 1.00 21.32 H new ATOM 0 HB THR A 136 0.690 -0.927 -16.466 1.00 14.43 H new ATOM 0 HG1 THR A 136 -1.446 -0.275 -16.446 1.00 71.13 H new ATOM 0 HG21 THR A 136 0.646 -1.541 -18.857 1.00 42.24 H new ATOM 0 HG22 THR A 136 1.424 -2.803 -17.871 1.00 42.24 H new ATOM 0 HG23 THR A 136 -0.242 -3.029 -18.455 1.00 42.24 H new ATOM 2017 N GLN A 137 1.810 -2.518 -14.508 1.00 42.34 N ATOM 2018 CA GLN A 137 3.104 -2.977 -14.004 1.00 73.43 C ATOM 2019 C GLN A 137 2.931 -4.066 -12.952 1.00 73.24 C ATOM 2020 O GLN A 137 3.779 -4.949 -12.809 1.00 64.34 O ATOM 2021 CB GLN A 137 3.896 -1.805 -13.422 1.00 74.02 C ATOM 2022 CG GLN A 137 4.255 -0.736 -14.442 1.00 21.25 C ATOM 2023 CD GLN A 137 5.117 -1.272 -15.570 1.00 2.41 C ATOM 2024 OE1 GLN A 137 6.348 -1.267 -15.489 1.00 62.54 O ATOM 2025 NE2 GLN A 137 4.483 -1.731 -16.632 1.00 5.12 N ATOM 0 H GLN A 137 1.559 -1.572 -14.222 1.00 42.34 H new ATOM 0 HA GLN A 137 3.659 -3.399 -14.842 1.00 73.43 H new ATOM 0 HB2 GLN A 137 3.314 -1.348 -12.621 1.00 74.02 H new ATOM 0 HB3 GLN A 137 4.813 -2.187 -12.972 1.00 74.02 H new ATOM 0 HG2 GLN A 137 3.340 -0.314 -14.858 1.00 21.25 H new ATOM 0 HG3 GLN A 137 4.782 0.076 -13.941 1.00 21.25 H new ATOM 0 HE21 GLN A 137 3.464 -1.719 -16.662 1.00 5.12 H new ATOM 0 HE22 GLN A 137 5.012 -2.098 -17.423 1.00 5.12 H new ATOM 2034 N LEU A 138 1.822 -4.018 -12.236 1.00 34.14 N ATOM 2035 CA LEU A 138 1.544 -5.012 -11.215 1.00 23.42 C ATOM 2036 C LEU A 138 1.086 -6.304 -11.872 1.00 2.14 C ATOM 2037 O LEU A 138 1.404 -7.403 -11.408 1.00 72.22 O ATOM 2038 CB LEU A 138 0.491 -4.502 -10.228 1.00 15.24 C ATOM 2039 CG LEU A 138 0.893 -3.273 -9.404 1.00 22.43 C ATOM 2040 CD1 LEU A 138 -0.245 -2.845 -8.497 1.00 51.11 C ATOM 2041 CD2 LEU A 138 2.147 -3.558 -8.587 1.00 52.34 C ATOM 0 H LEU A 138 1.101 -3.304 -12.342 1.00 34.14 H new ATOM 0 HA LEU A 138 2.458 -5.204 -10.653 1.00 23.42 H new ATOM 0 HB2 LEU A 138 -0.416 -4.263 -10.784 1.00 15.24 H new ATOM 0 HB3 LEU A 138 0.241 -5.311 -9.542 1.00 15.24 H new ATOM 0 HG LEU A 138 1.112 -2.457 -10.093 1.00 22.43 H new ATOM 0 HD11 LEU A 138 0.058 -1.972 -7.920 1.00 51.11 H new ATOM 0 HD12 LEU A 138 -1.118 -2.596 -9.101 1.00 51.11 H new ATOM 0 HD13 LEU A 138 -0.495 -3.660 -7.817 1.00 51.11 H new ATOM 0 HD21 LEU A 138 2.414 -2.673 -8.010 1.00 52.34 H new ATOM 0 HD22 LEU A 138 1.958 -4.390 -7.908 1.00 52.34 H new ATOM 0 HD23 LEU A 138 2.967 -3.816 -9.257 1.00 52.34 H new ATOM 2053 N ALA A 139 0.352 -6.158 -12.969 1.00 11.32 N ATOM 2054 CA ALA A 139 -0.122 -7.289 -13.752 1.00 60.43 C ATOM 2055 C ALA A 139 1.042 -8.102 -14.299 1.00 62.15 C ATOM 2056 O ALA A 139 0.908 -9.292 -14.563 1.00 73.42 O ATOM 2057 CB ALA A 139 -1.007 -6.810 -14.887 1.00 33.04 C ATOM 0 H ALA A 139 0.069 -5.251 -13.340 1.00 11.32 H new ATOM 0 HA ALA A 139 -0.707 -7.933 -13.095 1.00 60.43 H new ATOM 0 HB1 ALA A 139 -1.354 -7.667 -15.464 1.00 33.04 H new ATOM 0 HB2 ALA A 139 -1.865 -6.276 -14.479 1.00 33.04 H new ATOM 0 HB3 ALA A 139 -0.439 -6.143 -15.535 1.00 33.04 H new ATOM 2063 N GLU A 140 2.196 -7.456 -14.443 1.00 11.04 N ATOM 2064 CA GLU A 140 3.389 -8.136 -14.927 1.00 33.32 C ATOM 2065 C GLU A 140 3.959 -9.030 -13.837 1.00 15.52 C ATOM 2066 O GLU A 140 4.787 -9.900 -14.095 1.00 33.10 O ATOM 2067 CB GLU A 140 4.450 -7.138 -15.391 1.00 75.44 C ATOM 2068 CG GLU A 140 4.067 -6.356 -16.634 1.00 41.32 C ATOM 2069 CD GLU A 140 5.269 -5.724 -17.303 1.00 71.34 C ATOM 2070 OE1 GLU A 140 6.267 -6.438 -17.521 1.00 41.02 O ATOM 2071 OE2 GLU A 140 5.226 -4.520 -17.618 1.00 22.20 O ATOM 0 H GLU A 140 2.328 -6.467 -14.232 1.00 11.04 H new ATOM 0 HA GLU A 140 3.103 -8.747 -15.783 1.00 33.32 H new ATOM 0 HB2 GLU A 140 4.651 -6.436 -14.582 1.00 75.44 H new ATOM 0 HB3 GLU A 140 5.378 -7.676 -15.585 1.00 75.44 H new ATOM 0 HG2 GLU A 140 3.567 -7.020 -17.340 1.00 41.32 H new ATOM 0 HG3 GLU A 140 3.351 -5.579 -16.366 1.00 41.32 H new ATOM 2078 N SER A 141 3.501 -8.806 -12.618 1.00 5.21 N ATOM 2079 CA SER A 141 3.934 -9.585 -11.481 1.00 74.41 C ATOM 2080 C SER A 141 2.866 -10.621 -11.118 1.00 72.22 C ATOM 2081 O SER A 141 3.045 -11.422 -10.203 1.00 52.43 O ATOM 2082 CB SER A 141 4.211 -8.659 -10.298 1.00 52.02 C ATOM 2083 OG SER A 141 5.048 -7.579 -10.695 1.00 20.33 O ATOM 0 H SER A 141 2.821 -8.080 -12.393 1.00 5.21 H new ATOM 0 HA SER A 141 4.853 -10.113 -11.734 1.00 74.41 H new ATOM 0 HB2 SER A 141 3.271 -8.272 -9.904 1.00 52.02 H new ATOM 0 HB3 SER A 141 4.688 -9.220 -9.494 1.00 52.02 H new ATOM 0 HG SER A 141 5.214 -6.994 -9.926 1.00 20.33 H new ATOM 2089 N GLY A 142 1.748 -10.584 -11.840 1.00 44.40 N ATOM 2090 CA GLY A 142 0.681 -11.547 -11.619 1.00 2.34 C ATOM 2091 C GLY A 142 -0.438 -11.017 -10.737 1.00 1.30 C ATOM 2092 O GLY A 142 -1.487 -11.653 -10.609 1.00 51.32 O ATOM 0 H GLY A 142 1.562 -9.903 -12.576 1.00 44.40 H new ATOM 0 HA2 GLY A 142 0.265 -11.844 -12.582 1.00 2.34 H new ATOM 0 HA3 GLY A 142 1.100 -12.444 -11.162 1.00 2.34 H new ATOM 2096 N ILE A 143 -0.221 -9.869 -10.121 1.00 74.15 N ATOM 2097 CA ILE A 143 -1.218 -9.277 -9.238 1.00 21.44 C ATOM 2098 C ILE A 143 -1.991 -8.178 -9.956 1.00 70.53 C ATOM 2099 O ILE A 143 -1.423 -7.161 -10.336 1.00 61.22 O ATOM 2100 CB ILE A 143 -0.547 -8.670 -7.990 1.00 20.05 C ATOM 2101 CG1 ILE A 143 0.397 -9.687 -7.349 1.00 31.52 C ATOM 2102 CG2 ILE A 143 -1.602 -8.217 -6.988 1.00 14.34 C ATOM 2103 CD1 ILE A 143 1.293 -9.094 -6.290 1.00 52.01 C ATOM 0 H ILE A 143 0.637 -9.325 -10.214 1.00 74.15 H new ATOM 0 HA ILE A 143 -1.903 -10.070 -8.939 1.00 21.44 H new ATOM 0 HB ILE A 143 0.035 -7.800 -8.295 1.00 20.05 H new ATOM 0 HG12 ILE A 143 -0.193 -10.490 -6.906 1.00 31.52 H new ATOM 0 HG13 ILE A 143 1.015 -10.137 -8.126 1.00 31.52 H new ATOM 0 HG21 ILE A 143 -1.113 -7.791 -6.112 1.00 14.34 H new ATOM 0 HG22 ILE A 143 -2.242 -7.464 -7.449 1.00 14.34 H new ATOM 0 HG23 ILE A 143 -2.207 -9.072 -6.685 1.00 14.34 H new ATOM 0 HD11 ILE A 143 1.935 -9.873 -5.879 1.00 52.01 H new ATOM 0 HD12 ILE A 143 1.909 -8.311 -6.732 1.00 52.01 H new ATOM 0 HD13 ILE A 143 0.683 -8.669 -5.493 1.00 52.01 H new ATOM 2115 N GLN A 144 -3.283 -8.376 -10.136 1.00 31.03 N ATOM 2116 CA GLN A 144 -4.097 -7.384 -10.817 1.00 31.12 C ATOM 2117 C GLN A 144 -5.183 -6.837 -9.906 1.00 11.40 C ATOM 2118 O GLN A 144 -6.205 -7.490 -9.692 1.00 62.42 O ATOM 2119 CB GLN A 144 -4.721 -7.967 -12.085 1.00 40.43 C ATOM 2120 CG GLN A 144 -3.706 -8.435 -13.111 1.00 52.30 C ATOM 2121 CD GLN A 144 -4.356 -8.945 -14.377 1.00 72.14 C ATOM 2122 OE1 GLN A 144 -4.572 -8.189 -15.330 1.00 64.51 O ATOM 2123 NE2 GLN A 144 -4.676 -10.218 -14.399 1.00 63.40 N ATOM 0 H GLN A 144 -3.789 -9.205 -9.824 1.00 31.03 H new ATOM 0 HA GLN A 144 -3.439 -6.561 -11.096 1.00 31.12 H new ATOM 0 HB2 GLN A 144 -5.359 -8.807 -11.811 1.00 40.43 H new ATOM 0 HB3 GLN A 144 -5.363 -7.214 -12.541 1.00 40.43 H new ATOM 0 HG2 GLN A 144 -3.036 -7.611 -13.357 1.00 52.30 H new ATOM 0 HG3 GLN A 144 -3.093 -9.225 -12.677 1.00 52.30 H new ATOM 0 HE21 GLN A 144 -4.480 -10.807 -13.590 1.00 63.40 H new ATOM 0 HE22 GLN A 144 -5.121 -10.618 -15.225 1.00 63.40 H new ATOM 2132 N LEU A 145 -4.898 -5.674 -9.295 1.00 12.14 N ATOM 2133 CA LEU A 145 -5.855 -4.902 -8.466 1.00 2.42 C ATOM 2134 C LEU A 145 -7.320 -5.070 -8.886 1.00 40.24 C ATOM 2135 O LEU A 145 -7.647 -5.133 -10.074 1.00 64.15 O ATOM 2136 CB LEU A 145 -5.501 -3.413 -8.536 1.00 34.30 C ATOM 2137 CG LEU A 145 -4.041 -3.050 -8.258 1.00 22.12 C ATOM 2138 CD1 LEU A 145 -3.814 -1.565 -8.482 1.00 31.41 C ATOM 2139 CD2 LEU A 145 -3.648 -3.442 -6.844 1.00 12.32 C ATOM 0 H LEU A 145 -3.981 -5.232 -9.361 1.00 12.14 H new ATOM 0 HA LEU A 145 -5.764 -5.296 -7.454 1.00 2.42 H new ATOM 0 HB2 LEU A 145 -5.762 -3.046 -9.528 1.00 34.30 H new ATOM 0 HB3 LEU A 145 -6.128 -2.878 -7.823 1.00 34.30 H new ATOM 0 HG LEU A 145 -3.411 -3.606 -8.952 1.00 22.12 H new ATOM 0 HD11 LEU A 145 -2.771 -1.322 -8.280 1.00 31.41 H new ATOM 0 HD12 LEU A 145 -4.052 -1.312 -9.515 1.00 31.41 H new ATOM 0 HD13 LEU A 145 -4.456 -0.994 -7.811 1.00 31.41 H new ATOM 0 HD21 LEU A 145 -2.606 -3.175 -6.669 1.00 12.32 H new ATOM 0 HD22 LEU A 145 -4.283 -2.916 -6.131 1.00 12.32 H new ATOM 0 HD23 LEU A 145 -3.773 -4.517 -6.716 1.00 12.32 H new ATOM 2151 N GLY A 146 -8.188 -5.111 -7.899 1.00 64.32 N ATOM 2152 CA GLY A 146 -9.603 -5.234 -8.156 1.00 12.44 C ATOM 2153 C GLY A 146 -10.401 -4.296 -7.284 1.00 32.41 C ATOM 2154 O GLY A 146 -11.108 -3.420 -7.780 1.00 73.41 O ATOM 0 H GLY A 146 -7.937 -5.061 -6.912 1.00 64.32 H new ATOM 0 HA2 GLY A 146 -9.804 -5.019 -9.205 1.00 12.44 H new ATOM 0 HA3 GLY A 146 -9.920 -6.261 -7.975 1.00 12.44 H new ATOM 2158 N GLN A 147 -10.275 -4.471 -5.980 1.00 75.43 N ATOM 2159 CA GLN A 147 -10.975 -3.634 -5.025 1.00 43.23 C ATOM 2160 C GLN A 147 -10.107 -2.439 -4.645 1.00 11.04 C ATOM 2161 O GLN A 147 -8.918 -2.393 -4.979 1.00 64.41 O ATOM 2162 CB GLN A 147 -11.355 -4.428 -3.762 1.00 13.14 C ATOM 2163 CG GLN A 147 -12.335 -5.580 -3.990 1.00 45.44 C ATOM 2164 CD GLN A 147 -11.689 -6.801 -4.624 1.00 30.43 C ATOM 2165 OE1 GLN A 147 -11.650 -6.940 -5.846 1.00 74.15 O ATOM 2166 NE2 GLN A 147 -11.173 -7.683 -3.799 1.00 35.10 N ATOM 0 H GLN A 147 -9.689 -5.191 -5.557 1.00 75.43 H new ATOM 0 HA GLN A 147 -11.893 -3.281 -5.494 1.00 43.23 H new ATOM 0 HB2 GLN A 147 -10.445 -4.829 -3.316 1.00 13.14 H new ATOM 0 HB3 GLN A 147 -11.789 -3.740 -3.036 1.00 13.14 H new ATOM 0 HG2 GLN A 147 -12.778 -5.866 -3.036 1.00 45.44 H new ATOM 0 HG3 GLN A 147 -13.149 -5.235 -4.628 1.00 45.44 H new ATOM 0 HE21 GLN A 147 -11.226 -7.531 -2.792 1.00 35.10 H new ATOM 0 HE22 GLN A 147 -10.719 -8.520 -4.166 1.00 35.10 H new ATOM 2175 N SER A 148 -10.687 -1.487 -3.936 1.00 64.23 N ATOM 2176 CA SER A 148 -9.972 -0.286 -3.527 1.00 25.41 C ATOM 2177 C SER A 148 -10.667 0.363 -2.331 1.00 33.34 C ATOM 2178 O SER A 148 -11.788 -0.009 -1.977 1.00 1.00 O ATOM 2179 CB SER A 148 -9.888 0.719 -4.692 1.00 43.13 C ATOM 2180 OG SER A 148 -9.193 0.166 -5.804 1.00 43.41 O ATOM 0 H SER A 148 -11.659 -1.521 -3.628 1.00 64.23 H new ATOM 0 HA SER A 148 -8.961 -0.572 -3.239 1.00 25.41 H new ATOM 0 HB2 SER A 148 -10.893 1.010 -4.997 1.00 43.13 H new ATOM 0 HB3 SER A 148 -9.382 1.625 -4.358 1.00 43.13 H new ATOM 0 HG SER A 148 -9.157 0.825 -6.528 1.00 43.41 H new ATOM 2186 N SER A 149 -9.982 1.288 -1.692 1.00 73.34 N ATOM 2187 CA SER A 149 -10.538 2.046 -0.590 1.00 44.41 C ATOM 2188 C SER A 149 -9.911 3.427 -0.557 1.00 33.00 C ATOM 2189 O SER A 149 -8.721 3.584 -0.835 1.00 62.33 O ATOM 2190 CB SER A 149 -10.313 1.326 0.744 1.00 13.23 C ATOM 2191 OG SER A 149 -10.963 0.066 0.759 1.00 53.11 O ATOM 0 H SER A 149 -9.020 1.537 -1.923 1.00 73.34 H new ATOM 0 HA SER A 149 -11.614 2.140 -0.740 1.00 44.41 H new ATOM 0 HB2 SER A 149 -9.245 1.190 0.912 1.00 13.23 H new ATOM 0 HB3 SER A 149 -10.688 1.942 1.561 1.00 13.23 H new ATOM 0 HG SER A 149 -10.803 -0.374 1.620 1.00 53.11 H new ATOM 2197 N ILE A 150 -10.703 4.417 -0.214 1.00 71.43 N ATOM 2198 CA ILE A 150 -10.249 5.790 -0.181 1.00 12.42 C ATOM 2199 C ILE A 150 -10.810 6.481 1.048 1.00 42.45 C ATOM 2200 O ILE A 150 -11.995 6.365 1.344 1.00 52.23 O ATOM 2201 CB ILE A 150 -10.677 6.561 -1.465 1.00 41.44 C ATOM 2202 CG1 ILE A 150 -9.895 6.043 -2.687 1.00 62.15 C ATOM 2203 CG2 ILE A 150 -10.476 8.061 -1.291 1.00 21.01 C ATOM 2204 CD1 ILE A 150 -10.273 6.708 -3.997 1.00 21.32 C ATOM 0 H ILE A 150 -11.680 4.294 0.050 1.00 71.43 H new ATOM 0 HA ILE A 150 -9.160 5.789 -0.139 1.00 12.42 H new ATOM 0 HB ILE A 150 -11.739 6.383 -1.634 1.00 41.44 H new ATOM 0 HG12 ILE A 150 -8.830 6.192 -2.512 1.00 62.15 H new ATOM 0 HG13 ILE A 150 -10.056 4.969 -2.778 1.00 62.15 H new ATOM 0 HG21 ILE A 150 -10.782 8.577 -2.201 1.00 21.01 H new ATOM 0 HG22 ILE A 150 -11.078 8.414 -0.454 1.00 21.01 H new ATOM 0 HG23 ILE A 150 -9.424 8.267 -1.094 1.00 21.01 H new ATOM 0 HD11 ILE A 150 -9.676 6.285 -4.805 1.00 21.32 H new ATOM 0 HD12 ILE A 150 -11.330 6.538 -4.200 1.00 21.32 H new ATOM 0 HD13 ILE A 150 -10.085 7.779 -3.929 1.00 21.32 H new ATOM 2216 N SER A 151 -9.955 7.158 1.781 1.00 52.23 N ATOM 2217 CA SER A 151 -10.374 7.860 2.968 1.00 20.45 C ATOM 2218 C SER A 151 -9.578 9.147 3.145 1.00 44.33 C ATOM 2219 O SER A 151 -8.363 9.166 2.937 1.00 73.11 O ATOM 2220 CB SER A 151 -10.193 6.967 4.201 1.00 61.23 C ATOM 2221 OG SER A 151 -10.949 5.773 4.086 1.00 14.32 O ATOM 0 H SER A 151 -8.960 7.236 1.572 1.00 52.23 H new ATOM 0 HA SER A 151 -11.428 8.114 2.858 1.00 20.45 H new ATOM 0 HB2 SER A 151 -9.138 6.722 4.324 1.00 61.23 H new ATOM 0 HB3 SER A 151 -10.500 7.510 5.095 1.00 61.23 H new ATOM 0 HG SER A 151 -10.814 5.222 4.885 1.00 14.32 H new ATOM 2227 N SER A 152 -10.265 10.218 3.519 1.00 60.51 N ATOM 2228 CA SER A 152 -9.598 11.476 3.829 1.00 11.05 C ATOM 2229 C SER A 152 -9.088 11.411 5.263 1.00 21.33 C ATOM 2230 O SER A 152 -8.297 12.237 5.713 1.00 22.25 O ATOM 2231 CB SER A 152 -10.568 12.642 3.659 1.00 52.53 C ATOM 2232 OG SER A 152 -11.167 12.611 2.373 1.00 41.32 O ATOM 0 H SER A 152 -11.280 10.242 3.615 1.00 60.51 H new ATOM 0 HA SER A 152 -8.761 11.633 3.148 1.00 11.05 H new ATOM 0 HB2 SER A 152 -11.340 12.594 4.427 1.00 52.53 H new ATOM 0 HB3 SER A 152 -10.039 13.585 3.797 1.00 52.53 H new ATOM 0 HG SER A 152 -12.065 13.001 2.421 1.00 41.32 H new ATOM 2238 N GLU A 153 -9.568 10.386 5.942 1.00 44.43 N ATOM 2239 CA GLU A 153 -9.256 10.054 7.322 1.00 53.32 C ATOM 2240 C GLU A 153 -10.148 8.892 7.693 1.00 72.21 C ATOM 2241 O GLU A 153 -9.801 8.029 8.490 1.00 54.33 O ATOM 2242 CB GLU A 153 -9.501 11.248 8.263 1.00 14.14 C ATOM 2243 CG GLU A 153 -10.904 11.824 8.193 1.00 42.22 C ATOM 2244 CD GLU A 153 -11.077 13.019 9.091 1.00 43.35 C ATOM 2245 OE1 GLU A 153 -10.762 14.144 8.656 1.00 4.52 O ATOM 2246 OE2 GLU A 153 -11.539 12.843 10.233 1.00 62.45 O ATOM 0 H GLU A 153 -10.223 9.725 5.523 1.00 44.43 H new ATOM 0 HA GLU A 153 -8.202 9.797 7.424 1.00 53.32 H new ATOM 0 HB2 GLU A 153 -9.301 10.935 9.288 1.00 14.14 H new ATOM 0 HB3 GLU A 153 -8.786 12.035 8.025 1.00 14.14 H new ATOM 0 HG2 GLU A 153 -11.126 12.110 7.165 1.00 42.22 H new ATOM 0 HG3 GLU A 153 -11.624 11.055 8.473 1.00 42.22 H new ATOM 2284 N ALA A 156 -17.199 7.541 4.231 1.00 22.33 N ATOM 2285 CA ALA A 156 -18.625 7.436 4.454 1.00 2.33 C ATOM 2286 C ALA A 156 -19.369 7.998 3.258 1.00 74.23 C ATOM 2287 O ALA A 156 -18.813 8.784 2.488 1.00 25.40 O ATOM 2288 CB ALA A 156 -19.021 8.182 5.720 1.00 32.11 C ATOM 0 HA ALA A 156 -18.889 6.386 4.579 1.00 2.33 H new ATOM 0 HB1 ALA A 156 -20.097 8.093 5.873 1.00 32.11 H new ATOM 0 HB2 ALA A 156 -18.496 7.754 6.574 1.00 32.11 H new ATOM 0 HB3 ALA A 156 -18.754 9.234 5.621 1.00 32.11 H new ATOM 2294 N GLY A 157 -20.606 7.596 3.097 1.00 12.41 N ATOM 2295 CA GLY A 157 -21.396 8.076 1.995 1.00 25.24 C ATOM 2296 C GLY A 157 -22.867 7.992 2.292 1.00 61.33 C ATOM 2297 O GLY A 157 -23.258 7.760 3.441 1.00 60.50 O ATOM 0 H GLY A 157 -21.084 6.940 3.714 1.00 12.41 H new ATOM 0 HA2 GLY A 157 -21.127 9.109 1.776 1.00 25.24 H new ATOM 0 HA3 GLY A 157 -21.170 7.492 1.103 1.00 25.24 H new ATOM 2301 N GLN A 158 -23.682 8.170 1.269 1.00 44.42 N ATOM 2302 CA GLN A 158 -25.125 8.113 1.413 1.00 24.12 C ATOM 2303 C GLN A 158 -25.785 7.883 0.062 1.00 51.31 C ATOM 2304 O GLN A 158 -25.142 8.019 -0.979 1.00 53.41 O ATOM 2305 CB GLN A 158 -25.657 9.402 2.064 1.00 62.42 C ATOM 2306 CG GLN A 158 -25.326 10.679 1.300 1.00 22.43 C ATOM 2307 CD GLN A 158 -25.787 11.934 2.026 1.00 33.15 C ATOM 2308 OE1 GLN A 158 -26.860 11.821 2.785 1.00 13.52 O flip ATOM 2309 NE2 GLN A 158 -25.181 13.000 1.900 1.00 44.35 N flip ATOM 0 H GLN A 158 -23.364 8.358 0.318 1.00 44.42 H new ATOM 0 HA GLN A 158 -25.373 7.275 2.065 1.00 24.12 H new ATOM 0 HB2 GLN A 158 -26.740 9.324 2.164 1.00 62.42 H new ATOM 0 HB3 GLN A 158 -25.249 9.480 3.072 1.00 62.42 H new ATOM 0 HG2 GLN A 158 -24.249 10.732 1.139 1.00 22.43 H new ATOM 0 HG3 GLN A 158 -25.794 10.641 0.316 1.00 22.43 H new ATOM 0 HE21 GLN A 158 -24.355 13.050 1.304 1.00 44.35 H new ATOM 0 HE22 GLN A 158 -25.506 13.833 2.392 1.00 44.35 H new ATOM 2318 N GLN A 159 -27.060 7.532 0.082 1.00 2.45 N ATOM 2319 CA GLN A 159 -27.804 7.265 -1.143 1.00 4.43 C ATOM 2320 C GLN A 159 -28.096 8.560 -1.894 1.00 52.40 C ATOM 2321 O GLN A 159 -28.329 9.613 -1.282 1.00 51.45 O ATOM 2322 CB GLN A 159 -29.113 6.530 -0.825 1.00 63.52 C ATOM 2323 CG GLN A 159 -30.044 7.303 0.098 1.00 44.23 C ATOM 2324 CD GLN A 159 -31.313 6.549 0.423 1.00 22.01 C ATOM 2325 OE1 GLN A 159 -31.373 5.799 1.397 1.00 43.14 O ATOM 2326 NE2 GLN A 159 -32.331 6.736 -0.389 1.00 51.21 N ATOM 0 H GLN A 159 -27.606 7.424 0.937 1.00 2.45 H new ATOM 0 HA GLN A 159 -27.190 6.629 -1.781 1.00 4.43 H new ATOM 0 HB2 GLN A 159 -29.635 6.318 -1.758 1.00 63.52 H new ATOM 0 HB3 GLN A 159 -28.877 5.570 -0.366 1.00 63.52 H new ATOM 0 HG2 GLN A 159 -29.518 7.535 1.024 1.00 44.23 H new ATOM 0 HG3 GLN A 159 -30.302 8.254 -0.368 1.00 44.23 H new ATOM 0 HE21 GLN A 159 -32.239 7.367 -1.185 1.00 51.21 H new ATOM 0 HE22 GLN A 159 -33.212 6.250 -0.222 1.00 51.21 H new ATOM 2335 N GLN A 160 -28.080 8.486 -3.212 1.00 22.32 N ATOM 2336 CA GLN A 160 -28.325 9.647 -4.045 1.00 70.31 C ATOM 2337 C GLN A 160 -28.922 9.226 -5.379 1.00 32.15 C ATOM 2338 O GLN A 160 -28.673 8.116 -5.853 1.00 42.01 O ATOM 2339 CB GLN A 160 -27.024 10.431 -4.264 1.00 71.42 C ATOM 2340 CG GLN A 160 -25.952 9.662 -5.020 1.00 11.34 C ATOM 2341 CD GLN A 160 -24.679 10.461 -5.188 1.00 12.54 C ATOM 2342 OE1 GLN A 160 -23.777 10.395 -4.353 1.00 14.20 O ATOM 2343 NE2 GLN A 160 -24.596 11.222 -6.262 1.00 24.11 N ATOM 0 H GLN A 160 -27.898 7.627 -3.731 1.00 22.32 H new ATOM 0 HA GLN A 160 -29.039 10.295 -3.536 1.00 70.31 H new ATOM 0 HB2 GLN A 160 -27.252 11.346 -4.810 1.00 71.42 H new ATOM 0 HB3 GLN A 160 -26.625 10.730 -3.294 1.00 71.42 H new ATOM 0 HG2 GLN A 160 -25.729 8.737 -4.488 1.00 11.34 H new ATOM 0 HG3 GLN A 160 -26.334 9.382 -6.002 1.00 11.34 H new ATOM 0 HE21 GLN A 160 -25.367 11.248 -6.930 1.00 24.11 H new ATOM 0 HE22 GLN A 160 -23.761 11.785 -6.425 1.00 24.11 H new ATOM 2352 N SER A 161 -29.712 10.102 -5.971 1.00 3.23 N ATOM 2353 CA SER A 161 -30.346 9.824 -7.244 1.00 72.03 C ATOM 2354 C SER A 161 -30.894 11.109 -7.851 1.00 63.04 C ATOM 2355 O SER A 161 -31.130 12.089 -7.139 1.00 2.21 O ATOM 2356 CB SER A 161 -31.475 8.798 -7.064 1.00 23.42 C ATOM 2357 OG SER A 161 -32.040 8.423 -8.311 1.00 74.13 O ATOM 0 H SER A 161 -29.931 11.021 -5.585 1.00 3.23 H new ATOM 0 HA SER A 161 -29.601 9.407 -7.921 1.00 72.03 H new ATOM 0 HB2 SER A 161 -31.087 7.914 -6.558 1.00 23.42 H new ATOM 0 HB3 SER A 161 -32.251 9.217 -6.423 1.00 23.42 H new ATOM 0 HG SER A 161 -32.754 7.768 -8.163 1.00 74.13 H new ATOM 2363 N SER A 162 -31.093 11.095 -9.157 1.00 64.44 N ATOM 2364 CA SER A 162 -31.618 12.233 -9.899 1.00 45.35 C ATOM 2365 C SER A 162 -32.071 11.762 -11.275 1.00 14.21 C ATOM 2366 O SER A 162 -31.284 11.191 -12.034 1.00 74.33 O ATOM 2367 CB SER A 162 -30.549 13.335 -10.056 1.00 13.34 C ATOM 2368 OG SER A 162 -30.136 13.856 -8.794 1.00 52.42 O ATOM 0 H SER A 162 -30.893 10.284 -9.742 1.00 64.44 H new ATOM 0 HA SER A 162 -32.459 12.652 -9.347 1.00 45.35 H new ATOM 0 HB2 SER A 162 -29.685 12.931 -10.583 1.00 13.34 H new ATOM 0 HB3 SER A 162 -30.947 14.143 -10.670 1.00 13.34 H new ATOM 0 HG SER A 162 -30.738 13.530 -8.093 1.00 52.42 H new ATOM 2374 N SER A 163 -33.337 11.961 -11.581 1.00 10.02 N ATOM 2375 CA SER A 163 -33.881 11.525 -12.850 1.00 71.42 C ATOM 2376 C SER A 163 -34.887 12.537 -13.391 1.00 33.02 C ATOM 2377 O SER A 163 -36.016 12.638 -12.898 1.00 42.51 O ATOM 2378 CB SER A 163 -34.534 10.153 -12.694 1.00 21.42 C ATOM 2379 OG SER A 163 -33.634 9.233 -12.084 1.00 10.31 O ATOM 0 H SER A 163 -34.009 12.422 -10.967 1.00 10.02 H new ATOM 0 HA SER A 163 -33.064 11.449 -13.567 1.00 71.42 H new ATOM 0 HB2 SER A 163 -35.437 10.241 -12.090 1.00 21.42 H new ATOM 0 HB3 SER A 163 -34.840 9.777 -13.670 1.00 21.42 H new ATOM 0 HG SER A 163 -34.071 8.361 -11.991 1.00 10.31 H new ATOM 2385 N GLN A 164 -34.465 13.291 -14.389 1.00 43.24 N ATOM 2386 CA GLN A 164 -35.308 14.289 -15.017 1.00 42.34 C ATOM 2387 C GLN A 164 -34.769 14.616 -16.400 1.00 42.21 C ATOM 2388 O GLN A 164 -33.570 14.452 -16.660 1.00 1.12 O ATOM 2389 CB GLN A 164 -35.368 15.562 -14.163 1.00 41.34 C ATOM 2390 CG GLN A 164 -34.019 16.233 -13.957 1.00 10.44 C ATOM 2391 CD GLN A 164 -34.123 17.530 -13.184 1.00 64.44 C ATOM 2392 OE1 GLN A 164 -34.018 17.550 -11.954 1.00 12.54 O ATOM 2393 NE2 GLN A 164 -34.335 18.619 -13.894 1.00 10.32 N ATOM 0 H GLN A 164 -33.528 13.228 -14.787 1.00 43.24 H new ATOM 0 HA GLN A 164 -36.318 13.888 -15.107 1.00 42.34 H new ATOM 0 HB2 GLN A 164 -36.047 16.272 -14.635 1.00 41.34 H new ATOM 0 HB3 GLN A 164 -35.792 15.315 -13.190 1.00 41.34 H new ATOM 0 HG2 GLN A 164 -33.356 15.550 -13.426 1.00 10.44 H new ATOM 0 HG3 GLN A 164 -33.563 16.429 -14.928 1.00 10.44 H new ATOM 0 HE21 GLN A 164 -34.416 18.558 -14.909 1.00 10.32 H new ATOM 0 HE22 GLN A 164 -34.419 19.523 -13.429 1.00 10.32 H new ATOM 2402 N GLN A 165 -35.643 15.057 -17.286 1.00 12.34 N ATOM 2403 CA GLN A 165 -35.239 15.415 -18.634 1.00 41.34 C ATOM 2404 C GLN A 165 -36.310 16.240 -19.321 1.00 43.50 C ATOM 2405 O GLN A 165 -37.361 15.719 -19.707 1.00 64.04 O ATOM 2406 CB GLN A 165 -34.939 14.160 -19.462 1.00 53.33 C ATOM 2407 CG GLN A 165 -34.431 14.446 -20.875 1.00 22.24 C ATOM 2408 CD GLN A 165 -33.140 15.243 -20.888 1.00 23.40 C ATOM 2409 OE1 GLN A 165 -32.053 14.678 -20.827 1.00 63.11 O ATOM 2410 NE2 GLN A 165 -33.248 16.555 -21.002 1.00 40.13 N ATOM 0 H GLN A 165 -36.638 15.176 -17.097 1.00 12.34 H new ATOM 0 HA GLN A 165 -34.332 16.014 -18.560 1.00 41.34 H new ATOM 0 HB2 GLN A 165 -34.196 13.561 -18.936 1.00 53.33 H new ATOM 0 HB3 GLN A 165 -35.845 13.558 -19.529 1.00 53.33 H new ATOM 0 HG2 GLN A 165 -34.275 13.502 -21.397 1.00 22.24 H new ATOM 0 HG3 GLN A 165 -35.195 14.993 -21.427 1.00 22.24 H new ATOM 0 HE21 GLN A 165 -34.170 16.989 -21.050 1.00 40.13 H new ATOM 0 HE22 GLN A 165 -32.409 17.134 -21.042 1.00 40.13 H new ATOM 2419 N GLN A 166 -36.060 17.524 -19.451 1.00 42.40 N ATOM 2420 CA GLN A 166 -36.962 18.393 -20.170 1.00 73.12 C ATOM 2421 C GLN A 166 -36.566 18.415 -21.637 1.00 44.42 C ATOM 2422 O GLN A 166 -35.431 18.066 -21.981 1.00 40.45 O ATOM 2423 CB GLN A 166 -36.940 19.813 -19.592 1.00 53.31 C ATOM 2424 CG GLN A 166 -35.627 20.556 -19.798 1.00 45.33 C ATOM 2425 CD GLN A 166 -35.663 21.962 -19.234 1.00 1.34 C ATOM 2426 OE1 GLN A 166 -36.348 22.231 -18.243 1.00 22.40 O ATOM 2427 NE2 GLN A 166 -34.947 22.870 -19.865 1.00 1.24 N ATOM 0 H GLN A 166 -35.238 17.989 -19.067 1.00 42.40 H new ATOM 0 HA GLN A 166 -37.978 18.010 -20.068 1.00 73.12 H new ATOM 0 HB2 GLN A 166 -37.745 20.390 -20.047 1.00 53.31 H new ATOM 0 HB3 GLN A 166 -37.150 19.761 -18.524 1.00 53.31 H new ATOM 0 HG2 GLN A 166 -34.819 19.998 -19.324 1.00 45.33 H new ATOM 0 HG3 GLN A 166 -35.402 20.601 -20.863 1.00 45.33 H new ATOM 0 HE21 GLN A 166 -34.394 22.607 -20.681 1.00 1.24 H new ATOM 0 HE22 GLN A 166 -34.946 23.836 -19.538 1.00 1.24 H new ATOM 2436 N SER A 167 -37.480 18.816 -22.494 1.00 22.03 N ATOM 2437 CA SER A 167 -37.228 18.868 -23.929 1.00 40.34 C ATOM 2438 C SER A 167 -38.265 19.749 -24.607 1.00 31.24 C ATOM 2439 O SER A 167 -39.453 19.675 -24.295 1.00 1.15 O ATOM 2440 CB SER A 167 -37.276 17.455 -24.545 1.00 31.41 C ATOM 2441 OG SER A 167 -36.296 16.596 -23.967 1.00 25.02 O ATOM 0 H SER A 167 -38.417 19.115 -22.223 1.00 22.03 H new ATOM 0 HA SER A 167 -36.233 19.286 -24.085 1.00 40.34 H new ATOM 0 HB2 SER A 167 -38.268 17.027 -24.398 1.00 31.41 H new ATOM 0 HB3 SER A 167 -37.114 17.521 -25.621 1.00 31.41 H new ATOM 0 HG SER A 167 -35.649 17.131 -23.462 1.00 25.02 H new