USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 719 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 70 ASN : amide:sc= -3.47! C(o=-3.9!,f=-12!) USER MOD Set 1.2: A 82 TYR OH : rot -65:sc= -0.398 USER MOD Set 2.1: A 1 MET N :NH3+ 168:sc= -0.0243 (180deg=-0.176) USER MOD Set 2.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 167:sc=-0.00642 (180deg=-0.352) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 89:sc= 1.26 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 103:sc= 0.424 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= -0.823 (180deg=-0.859) USER MOD Single : A 67 THR OG1 : rot 41:sc= 0.0273 USER MOD Single : A 73 GLN : amide:sc= 0.877 K(o=0.88,f=-6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00179 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.191 1.136 2.795 1.00 22.01 N ATOM 2 CA MET A 1 3.834 -0.167 2.674 1.00 62.43 C ATOM 3 C MET A 1 3.432 -0.853 1.372 1.00 41.34 C ATOM 4 O MET A 1 3.279 -2.073 1.323 1.00 23.22 O ATOM 5 CB MET A 1 3.467 -1.054 3.865 1.00 34.10 C ATOM 6 CG MET A 1 4.469 -2.166 4.127 1.00 61.31 C ATOM 7 SD MET A 1 4.416 -2.763 5.827 1.00 32.25 S ATOM 8 CE MET A 1 2.658 -3.040 6.034 1.00 3.01 C ATOM 0 H1 MET A 1 3.311 1.494 3.764 1.00 22.01 H new ATOM 0 H2 MET A 1 3.625 1.801 2.124 1.00 22.01 H new ATOM 0 H3 MET A 1 2.177 1.044 2.584 1.00 22.01 H new ATOM 0 HA MET A 1 4.913 -0.012 2.665 1.00 62.43 H new ATOM 0 HB2 MET A 1 3.384 -0.434 4.757 1.00 34.10 H new ATOM 0 HB3 MET A 1 2.485 -1.495 3.690 1.00 34.10 H new ATOM 0 HG2 MET A 1 4.271 -2.996 3.448 1.00 61.31 H new ATOM 0 HG3 MET A 1 5.473 -1.805 3.904 1.00 61.31 H new ATOM 0 HE1 MET A 1 2.485 -3.621 6.940 1.00 3.01 H new ATOM 0 HE2 MET A 1 2.146 -2.081 6.115 1.00 3.01 H new ATOM 0 HE3 MET A 1 2.272 -3.586 5.173 1.00 3.01 H new ATOM 18 N SER A 2 3.262 -0.060 0.319 1.00 40.34 N ATOM 19 CA SER A 2 2.874 -0.590 -0.983 1.00 75.20 C ATOM 20 C SER A 2 3.745 -0.005 -2.090 1.00 52.22 C ATOM 21 O SER A 2 4.518 -0.719 -2.728 1.00 54.25 O ATOM 22 CB SER A 2 1.401 -0.285 -1.263 1.00 34.44 C ATOM 23 OG SER A 2 0.860 0.571 -0.271 1.00 71.23 O ATOM 0 H SER A 2 3.387 0.952 0.342 1.00 40.34 H new ATOM 0 HA SER A 2 3.017 -1.670 -0.965 1.00 75.20 H new ATOM 0 HB2 SER A 2 1.303 0.182 -2.243 1.00 34.44 H new ATOM 0 HB3 SER A 2 0.833 -1.215 -1.294 1.00 34.44 H new ATOM 0 HG SER A 2 -0.082 0.752 -0.473 1.00 71.23 H new ATOM 29 N GLN A 3 3.613 1.299 -2.311 1.00 50.22 N ATOM 30 CA GLN A 3 4.387 1.981 -3.342 1.00 23.14 C ATOM 31 C GLN A 3 4.120 1.373 -4.715 1.00 1.53 C ATOM 32 O GLN A 3 4.817 0.456 -5.144 1.00 64.52 O ATOM 33 CB GLN A 3 5.881 1.907 -3.020 1.00 31.42 C ATOM 34 CG GLN A 3 6.440 3.189 -2.426 1.00 11.34 C ATOM 35 CD GLN A 3 7.336 2.936 -1.229 1.00 40.43 C ATOM 36 OE1 GLN A 3 8.559 3.052 -1.319 1.00 54.53 O ATOM 37 NE2 GLN A 3 6.731 2.588 -0.099 1.00 44.54 N ATOM 0 H GLN A 3 2.978 1.904 -1.790 1.00 50.22 H new ATOM 0 HA GLN A 3 4.078 3.026 -3.362 1.00 23.14 H new ATOM 0 HB2 GLN A 3 6.053 1.088 -2.322 1.00 31.42 H new ATOM 0 HB3 GLN A 3 6.429 1.670 -3.932 1.00 31.42 H new ATOM 0 HG2 GLN A 3 7.004 3.723 -3.191 1.00 11.34 H new ATOM 0 HG3 GLN A 3 5.615 3.836 -2.127 1.00 11.34 H new ATOM 0 HE21 GLN A 3 5.715 2.504 -0.070 1.00 44.54 H new ATOM 0 HE22 GLN A 3 7.282 2.405 0.739 1.00 44.54 H new ATOM 46 N ASN A 4 3.105 1.892 -5.399 1.00 4.35 N ATOM 47 CA ASN A 4 2.745 1.400 -6.723 1.00 63.03 C ATOM 48 C ASN A 4 3.026 2.454 -7.790 1.00 62.21 C ATOM 49 O ASN A 4 3.052 3.650 -7.503 1.00 32.04 O ATOM 50 CB ASN A 4 1.268 1.003 -6.759 1.00 0.43 C ATOM 51 CG ASN A 4 1.005 -0.163 -7.692 1.00 14.33 C ATOM 52 OD1 ASN A 4 1.044 -1.322 -7.280 1.00 60.44 O ATOM 53 ND2 ASN A 4 0.734 0.141 -8.956 1.00 23.30 N ATOM 0 H ASN A 4 2.518 2.653 -5.058 1.00 4.35 H new ATOM 0 HA ASN A 4 3.355 0.522 -6.935 1.00 63.03 H new ATOM 0 HB2 ASN A 4 0.941 0.741 -5.753 1.00 0.43 H new ATOM 0 HB3 ASN A 4 0.672 1.859 -7.075 1.00 0.43 H new ATOM 0 HD21 ASN A 4 0.547 -0.601 -9.630 1.00 23.30 H new ATOM 0 HD22 ASN A 4 0.712 1.117 -9.253 1.00 23.30 H new ATOM 60 N GLU A 5 3.235 2.000 -9.022 1.00 25.00 N ATOM 61 CA GLU A 5 3.515 2.904 -10.131 1.00 54.24 C ATOM 62 C GLU A 5 2.328 3.828 -10.392 1.00 71.54 C ATOM 63 O GLU A 5 1.340 3.806 -9.660 1.00 13.54 O ATOM 64 CB GLU A 5 3.844 2.109 -11.396 1.00 71.23 C ATOM 65 CG GLU A 5 5.081 1.236 -11.262 1.00 14.30 C ATOM 66 CD GLU A 5 4.765 -0.243 -11.368 1.00 61.11 C ATOM 67 OE1 GLU A 5 4.541 -0.878 -10.316 1.00 72.13 O ATOM 68 OE2 GLU A 5 4.743 -0.766 -12.502 1.00 13.31 O ATOM 0 H GLU A 5 3.216 1.013 -9.277 1.00 25.00 H new ATOM 0 HA GLU A 5 4.377 3.514 -9.860 1.00 54.24 H new ATOM 0 HB2 GLU A 5 2.991 1.480 -11.651 1.00 71.23 H new ATOM 0 HB3 GLU A 5 3.987 2.803 -12.224 1.00 71.23 H new ATOM 0 HG2 GLU A 5 5.798 1.507 -12.037 1.00 14.30 H new ATOM 0 HG3 GLU A 5 5.559 1.434 -10.302 1.00 14.30 H new ATOM 75 N GLU A 6 2.435 4.637 -11.442 1.00 30.14 N ATOM 76 CA GLU A 6 1.372 5.569 -11.798 1.00 75.33 C ATOM 77 C GLU A 6 0.168 4.827 -12.372 1.00 70.33 C ATOM 78 O GLU A 6 0.318 3.902 -13.170 1.00 43.25 O ATOM 79 CB GLU A 6 1.882 6.596 -12.811 1.00 73.00 C ATOM 80 CG GLU A 6 1.793 8.031 -12.320 1.00 10.04 C ATOM 81 CD GLU A 6 0.631 8.787 -12.934 1.00 11.24 C ATOM 82 OE1 GLU A 6 -0.403 8.150 -13.226 1.00 22.23 O ATOM 83 OE2 GLU A 6 0.755 10.015 -13.122 1.00 53.23 O ATOM 0 H GLU A 6 3.246 4.665 -12.060 1.00 30.14 H new ATOM 0 HA GLU A 6 1.060 6.088 -10.892 1.00 75.33 H new ATOM 0 HB2 GLU A 6 2.919 6.368 -13.056 1.00 73.00 H new ATOM 0 HB3 GLU A 6 1.309 6.500 -13.733 1.00 73.00 H new ATOM 0 HG2 GLU A 6 1.691 8.034 -11.235 1.00 10.04 H new ATOM 0 HG3 GLU A 6 2.723 8.549 -12.554 1.00 10.04 H new ATOM 90 N ALA A 7 -1.026 5.239 -11.959 1.00 70.11 N ATOM 91 CA ALA A 7 -2.255 4.615 -12.432 1.00 55.25 C ATOM 92 C ALA A 7 -2.528 4.975 -13.889 1.00 63.42 C ATOM 93 O ALA A 7 -2.000 5.951 -14.422 1.00 22.01 O ATOM 94 CB ALA A 7 -3.429 5.029 -11.556 1.00 44.45 C ATOM 0 H ALA A 7 -1.168 6.002 -11.298 1.00 70.11 H new ATOM 0 HA ALA A 7 -2.132 3.534 -12.368 1.00 55.25 H new ATOM 0 HB1 ALA A 7 -4.340 4.555 -11.921 1.00 44.45 H new ATOM 0 HB2 ALA A 7 -3.244 4.716 -10.528 1.00 44.45 H new ATOM 0 HB3 ALA A 7 -3.544 6.112 -11.590 1.00 44.45 H new ATOM 100 N PRO A 8 -3.371 4.168 -14.551 1.00 23.11 N ATOM 101 CA PRO A 8 -3.732 4.381 -15.956 1.00 3.25 C ATOM 102 C PRO A 8 -4.606 5.615 -16.148 1.00 52.53 C ATOM 103 O PRO A 8 -4.384 6.409 -17.062 1.00 63.34 O ATOM 104 CB PRO A 8 -4.509 3.113 -16.319 1.00 2.45 C ATOM 105 CG PRO A 8 -5.054 2.620 -15.023 1.00 74.42 C ATOM 106 CD PRO A 8 -4.037 2.986 -13.979 1.00 24.24 C ATOM 0 HA PRO A 8 -2.856 4.553 -16.581 1.00 3.25 H new ATOM 0 HB2 PRO A 8 -5.308 3.328 -17.029 1.00 2.45 H new ATOM 0 HB3 PRO A 8 -3.860 2.371 -16.784 1.00 2.45 H new ATOM 0 HG2 PRO A 8 -6.019 3.079 -14.806 1.00 74.42 H new ATOM 0 HG3 PRO A 8 -5.213 1.542 -15.052 1.00 74.42 H new ATOM 0 HD2 PRO A 8 -4.507 3.213 -13.022 1.00 24.24 H new ATOM 0 HD3 PRO A 8 -3.332 2.174 -13.803 1.00 24.24 H new ATOM 114 N ALA A 9 -5.601 5.771 -15.281 1.00 51.41 N ATOM 115 CA ALA A 9 -6.507 6.911 -15.355 1.00 33.31 C ATOM 116 C ALA A 9 -7.152 7.011 -16.733 1.00 60.02 C ATOM 117 O ALA A 9 -7.343 8.107 -17.261 1.00 62.43 O ATOM 118 CB ALA A 9 -5.766 8.197 -15.022 1.00 11.01 C ATOM 0 H ALA A 9 -5.800 5.123 -14.519 1.00 51.41 H new ATOM 0 HA ALA A 9 -7.300 6.762 -14.622 1.00 33.31 H new ATOM 0 HB1 ALA A 9 -6.455 9.040 -15.081 1.00 11.01 H new ATOM 0 HB2 ALA A 9 -5.359 8.131 -14.013 1.00 11.01 H new ATOM 0 HB3 ALA A 9 -4.953 8.343 -15.733 1.00 11.01 H new ATOM 124 N ARG A 10 -7.485 5.861 -17.311 1.00 3.22 N ATOM 125 CA ARG A 10 -8.106 5.820 -18.629 1.00 12.20 C ATOM 126 C ARG A 10 -9.488 5.176 -18.559 1.00 3.12 C ATOM 127 O ARG A 10 -10.462 5.714 -19.085 1.00 1.11 O ATOM 128 CB ARG A 10 -7.221 5.049 -19.610 1.00 32.33 C ATOM 129 CG ARG A 10 -6.930 5.808 -20.894 1.00 73.51 C ATOM 130 CD ARG A 10 -5.436 5.998 -21.102 1.00 51.14 C ATOM 131 NE ARG A 10 -5.149 7.043 -22.081 1.00 3.40 N ATOM 132 CZ ARG A 10 -5.311 6.889 -23.390 1.00 54.13 C ATOM 133 NH1 ARG A 10 -5.757 5.738 -23.875 1.00 53.52 N ATOM 134 NH2 ARG A 10 -5.028 7.887 -24.217 1.00 51.24 N ATOM 0 H ARG A 10 -7.335 4.946 -16.887 1.00 3.22 H new ATOM 0 HA ARG A 10 -8.219 6.845 -18.982 1.00 12.20 H new ATOM 0 HB2 ARG A 10 -6.278 4.805 -19.121 1.00 32.33 H new ATOM 0 HB3 ARG A 10 -7.705 4.105 -19.858 1.00 32.33 H new ATOM 0 HG2 ARG A 10 -7.350 5.266 -21.741 1.00 73.51 H new ATOM 0 HG3 ARG A 10 -7.421 6.781 -20.862 1.00 73.51 H new ATOM 0 HD2 ARG A 10 -4.967 6.253 -20.152 1.00 51.14 H new ATOM 0 HD3 ARG A 10 -4.994 5.059 -21.434 1.00 51.14 H new ATOM 0 HE ARG A 10 -4.805 7.941 -21.740 1.00 3.40 H new ATOM 0 HH11 ARG A 10 -5.976 4.969 -23.242 1.00 53.52 H new ATOM 0 HH12 ARG A 10 -5.881 5.622 -24.881 1.00 53.52 H new ATOM 0 HH21 ARG A 10 -4.686 8.774 -23.848 1.00 51.24 H new ATOM 0 HH22 ARG A 10 -5.153 7.767 -25.222 1.00 51.24 H new ATOM 148 N SER A 11 -9.564 4.021 -17.906 1.00 61.30 N ATOM 149 CA SER A 11 -10.825 3.301 -17.771 1.00 22.22 C ATOM 150 C SER A 11 -11.520 3.664 -16.462 1.00 23.31 C ATOM 151 O SER A 11 -10.870 4.010 -15.476 1.00 51.34 O ATOM 152 CB SER A 11 -10.584 1.791 -17.832 1.00 3.30 C ATOM 153 OG SER A 11 -10.044 1.311 -16.613 1.00 4.31 O ATOM 0 H SER A 11 -8.768 3.564 -17.462 1.00 61.30 H new ATOM 0 HA SER A 11 -11.472 3.592 -18.599 1.00 22.22 H new ATOM 0 HB2 SER A 11 -11.522 1.278 -18.045 1.00 3.30 H new ATOM 0 HB3 SER A 11 -9.902 1.561 -18.651 1.00 3.30 H new ATOM 0 HG SER A 11 -9.901 0.344 -16.677 1.00 4.31 H new ATOM 159 N GLY A 12 -12.847 3.581 -16.461 1.00 22.01 N ATOM 160 CA GLY A 12 -13.609 3.904 -15.269 1.00 73.50 C ATOM 161 C GLY A 12 -14.002 5.366 -15.210 1.00 52.33 C ATOM 162 O GLY A 12 -14.657 5.877 -16.118 1.00 2.40 O ATOM 0 H GLY A 12 -13.408 3.296 -17.264 1.00 22.01 H new ATOM 0 HA2 GLY A 12 -14.508 3.288 -15.238 1.00 73.50 H new ATOM 0 HA3 GLY A 12 -13.020 3.653 -14.386 1.00 73.50 H new ATOM 166 N GLY A 13 -13.603 6.042 -14.137 1.00 41.42 N ATOM 167 CA GLY A 13 -13.928 7.448 -13.983 1.00 13.24 C ATOM 168 C GLY A 13 -12.721 8.285 -13.610 1.00 2.22 C ATOM 169 O GLY A 13 -11.634 7.754 -13.383 1.00 25.04 O ATOM 0 H GLY A 13 -13.061 5.641 -13.372 1.00 41.42 H new ATOM 0 HA2 GLY A 13 -14.353 7.823 -14.914 1.00 13.24 H new ATOM 0 HA3 GLY A 13 -14.694 7.559 -13.216 1.00 13.24 H new ATOM 173 N LYS A 14 -12.910 9.599 -13.548 1.00 22.11 N ATOM 174 CA LYS A 14 -11.828 10.513 -13.201 1.00 21.43 C ATOM 175 C LYS A 14 -12.350 11.686 -12.377 1.00 64.23 C ATOM 176 O LYS A 14 -13.431 12.211 -12.642 1.00 50.05 O ATOM 177 CB LYS A 14 -11.143 11.030 -14.468 1.00 21.42 C ATOM 178 CG LYS A 14 -9.879 11.826 -14.194 1.00 41.01 C ATOM 179 CD LYS A 14 -9.657 12.899 -15.247 1.00 12.44 C ATOM 180 CE LYS A 14 -9.508 14.276 -14.616 1.00 72.44 C ATOM 181 NZ LYS A 14 -9.063 15.294 -15.607 1.00 40.23 N ATOM 0 H LYS A 14 -13.803 10.055 -13.734 1.00 22.11 H new ATOM 0 HA LYS A 14 -11.101 9.965 -12.601 1.00 21.43 H new ATOM 0 HB2 LYS A 14 -10.897 10.184 -15.109 1.00 21.42 H new ATOM 0 HB3 LYS A 14 -11.844 11.656 -15.020 1.00 21.42 H new ATOM 0 HG2 LYS A 14 -9.946 12.289 -13.210 1.00 41.01 H new ATOM 0 HG3 LYS A 14 -9.022 11.153 -14.172 1.00 41.01 H new ATOM 0 HD2 LYS A 14 -8.763 12.664 -15.825 1.00 12.44 H new ATOM 0 HD3 LYS A 14 -10.495 12.906 -15.944 1.00 12.44 H new ATOM 0 HE2 LYS A 14 -10.460 14.582 -14.183 1.00 72.44 H new ATOM 0 HE3 LYS A 14 -8.788 14.225 -13.799 1.00 72.44 H new ATOM 0 HZ1 LYS A 14 -8.973 16.218 -15.139 1.00 40.23 H new ATOM 0 HZ2 LYS A 14 -8.142 15.015 -16.002 1.00 40.23 H new ATOM 0 HZ3 LYS A 14 -9.762 15.361 -16.374 1.00 40.23 H new ATOM 195 N VAL A 15 -11.573 12.093 -11.378 1.00 55.31 N ATOM 196 CA VAL A 15 -11.956 13.206 -10.518 1.00 13.43 C ATOM 197 C VAL A 15 -10.728 13.919 -9.961 1.00 74.45 C ATOM 198 O VAL A 15 -9.735 13.283 -9.608 1.00 3.05 O ATOM 199 CB VAL A 15 -12.836 12.733 -9.346 1.00 34.03 C ATOM 200 CG1 VAL A 15 -12.141 11.625 -8.569 1.00 73.13 C ATOM 201 CG2 VAL A 15 -13.180 13.900 -8.433 1.00 11.23 C ATOM 0 H VAL A 15 -10.675 11.669 -11.145 1.00 55.31 H new ATOM 0 HA VAL A 15 -12.527 13.900 -11.135 1.00 13.43 H new ATOM 0 HB VAL A 15 -13.765 12.332 -9.751 1.00 34.03 H new ATOM 0 HG11 VAL A 15 -12.778 11.304 -7.745 1.00 73.13 H new ATOM 0 HG12 VAL A 15 -11.951 10.780 -9.231 1.00 73.13 H new ATOM 0 HG13 VAL A 15 -11.195 11.996 -8.173 1.00 73.13 H new ATOM 0 HG21 VAL A 15 -13.802 13.547 -7.610 1.00 11.23 H new ATOM 0 HG22 VAL A 15 -12.262 14.333 -8.034 1.00 11.23 H new ATOM 0 HG23 VAL A 15 -13.722 14.657 -8.999 1.00 11.23 H new ATOM 211 N THR A 16 -10.803 15.244 -9.886 1.00 71.11 N ATOM 212 CA THR A 16 -9.698 16.044 -9.373 1.00 61.35 C ATOM 213 C THR A 16 -10.106 16.804 -8.117 1.00 51.52 C ATOM 214 O THR A 16 -11.072 17.568 -8.128 1.00 42.21 O ATOM 215 CB THR A 16 -9.195 17.048 -10.428 1.00 11.25 C ATOM 216 OG1 THR A 16 -9.026 16.391 -11.689 1.00 3.34 O ATOM 217 CG2 THR A 16 -7.878 17.673 -9.994 1.00 45.04 C ATOM 0 H THR A 16 -11.618 15.786 -10.174 1.00 71.11 H new ATOM 0 HA THR A 16 -8.893 15.351 -9.128 1.00 61.35 H new ATOM 0 HB THR A 16 -9.938 17.839 -10.529 1.00 11.25 H new ATOM 0 HG1 THR A 16 -8.708 17.037 -12.354 1.00 3.34 H new ATOM 0 HG21 THR A 16 -7.542 18.378 -10.754 1.00 45.04 H new ATOM 0 HG22 THR A 16 -8.018 18.198 -9.049 1.00 45.04 H new ATOM 0 HG23 THR A 16 -7.129 16.892 -9.868 1.00 45.04 H new ATOM 225 N PHE A 17 -9.365 16.592 -7.035 1.00 64.21 N ATOM 226 CA PHE A 17 -9.650 17.258 -5.770 1.00 31.13 C ATOM 227 C PHE A 17 -8.674 18.406 -5.527 1.00 33.30 C ATOM 228 O PHE A 17 -7.462 18.245 -5.671 1.00 53.00 O ATOM 229 CB PHE A 17 -9.576 16.258 -4.614 1.00 61.43 C ATOM 230 CG PHE A 17 -10.818 15.427 -4.460 1.00 1.12 C ATOM 231 CD1 PHE A 17 -11.824 15.817 -3.591 1.00 30.34 C ATOM 232 CD2 PHE A 17 -10.979 14.256 -5.183 1.00 42.54 C ATOM 233 CE1 PHE A 17 -12.968 15.055 -3.446 1.00 74.02 C ATOM 234 CE2 PHE A 17 -12.121 13.491 -5.044 1.00 20.04 C ATOM 235 CZ PHE A 17 -13.116 13.890 -4.173 1.00 74.01 C ATOM 0 H PHE A 17 -8.562 15.964 -7.009 1.00 64.21 H new ATOM 0 HA PHE A 17 -10.659 17.667 -5.823 1.00 31.13 H new ATOM 0 HB2 PHE A 17 -8.723 15.597 -4.770 1.00 61.43 H new ATOM 0 HB3 PHE A 17 -9.394 16.800 -3.686 1.00 61.43 H new ATOM 0 HD1 PHE A 17 -11.713 16.727 -3.020 1.00 30.34 H new ATOM 0 HD2 PHE A 17 -10.203 13.938 -5.863 1.00 42.54 H new ATOM 0 HE1 PHE A 17 -13.745 15.370 -2.765 1.00 74.02 H new ATOM 0 HE2 PHE A 17 -12.236 12.582 -5.616 1.00 20.04 H new ATOM 0 HZ PHE A 17 -14.008 13.292 -4.061 1.00 74.01 H new ATOM 245 N ARG A 18 -9.212 19.564 -5.158 1.00 72.34 N ATOM 246 CA ARG A 18 -8.390 20.739 -4.897 1.00 53.24 C ATOM 247 C ARG A 18 -8.147 20.911 -3.401 1.00 23.11 C ATOM 248 O ARG A 18 -9.062 21.243 -2.647 1.00 51.33 O ATOM 249 CB ARG A 18 -9.061 21.993 -5.463 1.00 22.51 C ATOM 250 CG ARG A 18 -10.502 22.168 -5.012 1.00 42.23 C ATOM 251 CD ARG A 18 -10.739 23.554 -4.433 1.00 33.02 C ATOM 252 NE ARG A 18 -11.952 23.607 -3.621 1.00 1.24 N ATOM 253 CZ ARG A 18 -12.412 24.720 -3.059 1.00 22.53 C ATOM 254 NH1 ARG A 18 -11.764 25.865 -3.221 1.00 23.25 N ATOM 255 NH2 ARG A 18 -13.523 24.688 -2.334 1.00 24.34 N ATOM 0 H ARG A 18 -10.213 19.713 -5.033 1.00 72.34 H new ATOM 0 HA ARG A 18 -7.428 20.595 -5.390 1.00 53.24 H new ATOM 0 HB2 ARG A 18 -8.486 22.869 -5.163 1.00 22.51 H new ATOM 0 HB3 ARG A 18 -9.032 21.950 -6.552 1.00 22.51 H new ATOM 0 HG2 ARG A 18 -11.171 22.006 -5.857 1.00 42.23 H new ATOM 0 HG3 ARG A 18 -10.745 21.413 -4.264 1.00 42.23 H new ATOM 0 HD2 ARG A 18 -9.882 23.844 -3.825 1.00 33.02 H new ATOM 0 HD3 ARG A 18 -10.814 24.278 -5.244 1.00 33.02 H new ATOM 0 HE ARG A 18 -12.474 22.743 -3.477 1.00 1.24 H new ATOM 0 HH11 ARG A 18 -10.910 25.893 -3.778 1.00 23.25 H new ATOM 0 HH12 ARG A 18 -12.119 26.718 -2.789 1.00 23.25 H new ATOM 0 HH21 ARG A 18 -14.024 23.809 -2.208 1.00 24.34 H new ATOM 0 HH22 ARG A 18 -13.875 25.543 -1.903 1.00 24.34 H new ATOM 269 N ILE A 19 -6.908 20.682 -2.978 1.00 71.52 N ATOM 270 CA ILE A 19 -6.545 20.811 -1.573 1.00 3.44 C ATOM 271 C ILE A 19 -5.752 22.090 -1.326 1.00 2.33 C ATOM 272 O ILE A 19 -4.794 22.386 -2.040 1.00 43.23 O ATOM 273 CB ILE A 19 -5.716 19.606 -1.092 1.00 23.23 C ATOM 274 CG1 ILE A 19 -4.542 19.355 -2.041 1.00 10.12 C ATOM 275 CG2 ILE A 19 -6.593 18.367 -0.987 1.00 53.52 C ATOM 276 CD1 ILE A 19 -3.634 18.230 -1.595 1.00 74.13 C ATOM 0 H ILE A 19 -6.139 20.406 -3.589 1.00 71.52 H new ATOM 0 HA ILE A 19 -7.477 20.848 -1.009 1.00 3.44 H new ATOM 0 HB ILE A 19 -5.318 19.830 -0.102 1.00 23.23 H new ATOM 0 HG12 ILE A 19 -4.930 19.126 -3.033 1.00 10.12 H new ATOM 0 HG13 ILE A 19 -3.956 20.270 -2.131 1.00 10.12 H new ATOM 0 HG21 ILE A 19 -5.992 17.524 -0.646 1.00 53.52 H new ATOM 0 HG22 ILE A 19 -7.398 18.550 -0.276 1.00 53.52 H new ATOM 0 HG23 ILE A 19 -7.018 18.138 -1.964 1.00 53.52 H new ATOM 0 HD11 ILE A 19 -2.825 18.109 -2.315 1.00 74.13 H new ATOM 0 HD12 ILE A 19 -3.217 18.466 -0.616 1.00 74.13 H new ATOM 0 HD13 ILE A 19 -4.206 17.304 -1.532 1.00 74.13 H new ATOM 288 N ILE A 20 -6.157 22.844 -0.309 1.00 24.32 N ATOM 289 CA ILE A 20 -5.482 24.089 0.034 1.00 1.43 C ATOM 290 C ILE A 20 -4.822 23.997 1.406 1.00 44.33 C ATOM 291 O ILE A 20 -5.485 23.737 2.410 1.00 31.03 O ATOM 292 CB ILE A 20 -6.459 25.280 0.027 1.00 73.45 C ATOM 293 CG1 ILE A 20 -7.116 25.419 -1.348 1.00 51.43 C ATOM 294 CG2 ILE A 20 -5.735 26.562 0.406 1.00 2.43 C ATOM 295 CD1 ILE A 20 -8.105 26.561 -1.432 1.00 71.23 C ATOM 0 H ILE A 20 -6.949 22.614 0.291 1.00 24.32 H new ATOM 0 HA ILE A 20 -4.717 24.252 -0.725 1.00 1.43 H new ATOM 0 HB ILE A 20 -7.239 25.096 0.766 1.00 73.45 H new ATOM 0 HG12 ILE A 20 -6.340 25.565 -2.099 1.00 51.43 H new ATOM 0 HG13 ILE A 20 -7.627 24.488 -1.594 1.00 51.43 H new ATOM 0 HG21 ILE A 20 -6.439 27.394 0.396 1.00 2.43 H new ATOM 0 HG22 ILE A 20 -5.310 26.458 1.404 1.00 2.43 H new ATOM 0 HG23 ILE A 20 -4.936 26.754 -0.310 1.00 2.43 H new ATOM 0 HD11 ILE A 20 -8.532 26.600 -2.434 1.00 71.23 H new ATOM 0 HD12 ILE A 20 -8.902 26.407 -0.704 1.00 71.23 H new ATOM 0 HD13 ILE A 20 -7.595 27.500 -1.218 1.00 71.23 H new ATOM 307 N LEU A 21 -3.511 24.214 1.441 1.00 54.10 N ATOM 308 CA LEU A 21 -2.760 24.158 2.690 1.00 20.31 C ATOM 309 C LEU A 21 -2.535 25.557 3.254 1.00 34.02 C ATOM 310 O LEU A 21 -2.695 26.555 2.551 1.00 44.33 O ATOM 311 CB LEU A 21 -1.415 23.463 2.468 1.00 13.03 C ATOM 312 CG LEU A 21 -0.830 22.731 3.677 1.00 54.32 C ATOM 313 CD1 LEU A 21 -0.984 21.227 3.516 1.00 74.12 C ATOM 314 CD2 LEU A 21 0.633 23.102 3.868 1.00 41.02 C ATOM 0 H LEU A 21 -2.947 24.430 0.619 1.00 54.10 H new ATOM 0 HA LEU A 21 -3.344 23.586 3.411 1.00 20.31 H new ATOM 0 HB2 LEU A 21 -1.529 22.746 1.655 1.00 13.03 H new ATOM 0 HB3 LEU A 21 -0.693 24.209 2.136 1.00 13.03 H new ATOM 0 HG LEU A 21 -1.381 23.039 4.566 1.00 54.32 H new ATOM 0 HD11 LEU A 21 -0.562 20.723 4.386 1.00 74.12 H new ATOM 0 HD12 LEU A 21 -2.041 20.977 3.429 1.00 74.12 H new ATOM 0 HD13 LEU A 21 -0.459 20.902 2.618 1.00 74.12 H new ATOM 0 HD21 LEU A 21 1.033 22.572 4.733 1.00 41.02 H new ATOM 0 HD22 LEU A 21 1.198 22.824 2.978 1.00 41.02 H new ATOM 0 HD23 LEU A 21 0.718 24.177 4.030 1.00 41.02 H new ATOM 326 N THR A 22 -2.162 25.623 4.529 1.00 53.15 N ATOM 327 CA THR A 22 -1.915 26.899 5.187 1.00 4.32 C ATOM 328 C THR A 22 -0.433 27.257 5.153 1.00 52.33 C ATOM 329 O THR A 22 -0.066 28.430 5.232 1.00 32.45 O ATOM 330 CB THR A 22 -2.392 26.878 6.652 1.00 61.35 C ATOM 331 OG1 THR A 22 -2.946 25.596 6.967 1.00 24.45 O ATOM 332 CG2 THR A 22 -3.433 27.960 6.897 1.00 24.25 C ATOM 0 H THR A 22 -2.025 24.807 5.126 1.00 53.15 H new ATOM 0 HA THR A 22 -2.481 27.652 4.639 1.00 4.32 H new ATOM 0 HB THR A 22 -1.533 27.070 7.295 1.00 61.35 H new ATOM 0 HG1 THR A 22 -3.245 25.589 7.900 1.00 24.45 H new ATOM 0 HG21 THR A 22 -3.755 27.926 7.938 1.00 24.25 H new ATOM 0 HG22 THR A 22 -3.000 28.937 6.683 1.00 24.25 H new ATOM 0 HG23 THR A 22 -4.291 27.793 6.246 1.00 24.25 H new ATOM 340 N SER A 23 0.414 26.240 5.033 1.00 41.33 N ATOM 341 CA SER A 23 1.857 26.448 4.991 1.00 52.13 C ATOM 342 C SER A 23 2.322 26.744 3.568 1.00 12.41 C ATOM 343 O SER A 23 3.430 27.236 3.356 1.00 32.32 O ATOM 344 CB SER A 23 2.587 25.217 5.532 1.00 14.30 C ATOM 345 OG SER A 23 3.894 25.549 5.965 1.00 3.54 O ATOM 0 H SER A 23 0.126 25.264 4.963 1.00 41.33 H new ATOM 0 HA SER A 23 2.094 27.307 5.619 1.00 52.13 H new ATOM 0 HB2 SER A 23 2.023 24.791 6.362 1.00 14.30 H new ATOM 0 HB3 SER A 23 2.640 24.452 4.757 1.00 14.30 H new ATOM 0 HG SER A 23 4.339 24.746 6.308 1.00 3.54 H new ATOM 351 N GLU A 24 1.466 26.441 2.597 1.00 13.32 N ATOM 352 CA GLU A 24 1.789 26.674 1.195 1.00 50.25 C ATOM 353 C GLU A 24 1.203 27.998 0.714 1.00 55.44 C ATOM 354 O GLU A 24 0.504 28.049 -0.299 1.00 20.31 O ATOM 355 CB GLU A 24 1.263 25.527 0.330 1.00 70.24 C ATOM 356 CG GLU A 24 2.011 25.361 -0.982 1.00 41.14 C ATOM 357 CD GLU A 24 2.953 24.173 -0.971 1.00 73.40 C ATOM 358 OE1 GLU A 24 3.129 23.546 -2.037 1.00 44.31 O ATOM 359 OE2 GLU A 24 3.512 23.869 0.103 1.00 64.51 O ATOM 0 H GLU A 24 0.544 26.034 2.756 1.00 13.32 H new ATOM 0 HA GLU A 24 2.874 26.722 1.102 1.00 50.25 H new ATOM 0 HB2 GLU A 24 1.328 24.597 0.896 1.00 70.24 H new ATOM 0 HB3 GLU A 24 0.208 25.698 0.118 1.00 70.24 H new ATOM 0 HG2 GLU A 24 1.292 25.242 -1.793 1.00 41.14 H new ATOM 0 HG3 GLU A 24 2.579 26.268 -1.189 1.00 41.14 H new ATOM 366 N ARG A 25 1.491 29.068 1.448 1.00 64.04 N ATOM 367 CA ARG A 25 0.992 30.392 1.098 1.00 52.22 C ATOM 368 C ARG A 25 1.570 30.857 -0.236 1.00 32.42 C ATOM 369 O ARG A 25 0.968 31.672 -0.934 1.00 73.25 O ATOM 370 CB ARG A 25 1.341 31.399 2.196 1.00 62.25 C ATOM 371 CG ARG A 25 0.206 31.651 3.174 1.00 1.22 C ATOM 372 CD ARG A 25 0.722 32.199 4.496 1.00 55.01 C ATOM 373 NE ARG A 25 0.984 33.634 4.428 1.00 24.03 N ATOM 374 CZ ARG A 25 1.696 34.294 5.335 1.00 0.21 C ATOM 375 NH1 ARG A 25 2.213 33.652 6.373 1.00 24.40 N ATOM 376 NH2 ARG A 25 1.892 35.600 5.204 1.00 12.14 N ATOM 0 H ARG A 25 2.068 29.044 2.289 1.00 64.04 H new ATOM 0 HA ARG A 25 -0.092 30.330 1.002 1.00 52.22 H new ATOM 0 HB2 ARG A 25 2.210 31.037 2.746 1.00 62.25 H new ATOM 0 HB3 ARG A 25 1.627 32.344 1.733 1.00 62.25 H new ATOM 0 HG2 ARG A 25 -0.502 32.356 2.738 1.00 1.22 H new ATOM 0 HG3 ARG A 25 -0.337 30.722 3.351 1.00 1.22 H new ATOM 0 HD2 ARG A 25 -0.008 32.001 5.281 1.00 55.01 H new ATOM 0 HD3 ARG A 25 1.637 31.676 4.773 1.00 55.01 H new ATOM 0 HE ARG A 25 0.600 34.158 3.642 1.00 24.03 H new ATOM 0 HH11 ARG A 25 2.065 32.648 6.477 1.00 24.40 H new ATOM 0 HH12 ARG A 25 2.759 34.162 7.067 1.00 24.40 H new ATOM 0 HH21 ARG A 25 1.496 36.098 4.407 1.00 12.14 H new ATOM 0 HH22 ARG A 25 2.439 36.106 5.901 1.00 12.14 H new ATOM 390 N SER A 26 2.741 30.332 -0.582 1.00 1.31 N ATOM 391 CA SER A 26 3.403 30.696 -1.829 1.00 52.34 C ATOM 392 C SER A 26 2.511 30.385 -3.028 1.00 3.51 C ATOM 393 O SER A 26 2.604 31.037 -4.068 1.00 74.41 O ATOM 394 CB SER A 26 4.733 29.952 -1.962 1.00 33.20 C ATOM 395 OG SER A 26 5.765 30.824 -2.388 1.00 22.10 O ATOM 0 H SER A 26 3.251 29.653 -0.016 1.00 1.31 H new ATOM 0 HA SER A 26 3.596 31.769 -1.809 1.00 52.34 H new ATOM 0 HB2 SER A 26 5.001 29.507 -1.004 1.00 33.20 H new ATOM 0 HB3 SER A 26 4.626 29.134 -2.675 1.00 33.20 H new ATOM 0 HG SER A 26 6.605 30.325 -2.464 1.00 22.10 H new ATOM 401 N GLN A 27 1.649 29.386 -2.873 1.00 21.04 N ATOM 402 CA GLN A 27 0.741 28.988 -3.942 1.00 23.10 C ATOM 403 C GLN A 27 -0.226 27.911 -3.462 1.00 62.42 C ATOM 404 O GLN A 27 -0.168 26.756 -3.886 1.00 44.34 O ATOM 405 CB GLN A 27 1.532 28.479 -5.148 1.00 44.23 C ATOM 406 CG GLN A 27 0.760 28.550 -6.456 1.00 4.20 C ATOM 407 CD GLN A 27 1.614 28.195 -7.657 1.00 72.25 C ATOM 408 OE1 GLN A 27 2.691 27.615 -7.519 1.00 20.34 O ATOM 409 NE2 GLN A 27 1.136 28.541 -8.847 1.00 13.52 N ATOM 0 H GLN A 27 1.560 28.837 -2.018 1.00 21.04 H new ATOM 0 HA GLN A 27 0.163 29.863 -4.238 1.00 23.10 H new ATOM 0 HB2 GLN A 27 2.448 29.063 -5.244 1.00 44.23 H new ATOM 0 HB3 GLN A 27 1.830 27.446 -4.967 1.00 44.23 H new ATOM 0 HG2 GLN A 27 -0.092 27.872 -6.408 1.00 4.20 H new ATOM 0 HG3 GLN A 27 0.360 29.556 -6.584 1.00 4.20 H new ATOM 0 HE21 GLN A 27 0.239 29.021 -8.916 1.00 13.52 H new ATOM 0 HE22 GLN A 27 1.666 28.327 -9.692 1.00 13.52 H new ATOM 418 N PRO A 28 -1.137 28.294 -2.556 1.00 31.12 N ATOM 419 CA PRO A 28 -2.134 27.375 -1.999 1.00 15.43 C ATOM 420 C PRO A 28 -3.185 26.967 -3.026 1.00 45.12 C ATOM 421 O PRO A 28 -4.264 27.555 -3.092 1.00 74.32 O ATOM 422 CB PRO A 28 -2.776 28.189 -0.872 1.00 55.45 C ATOM 423 CG PRO A 28 -2.576 29.611 -1.271 1.00 23.14 C ATOM 424 CD PRO A 28 -1.264 29.654 -2.005 1.00 75.24 C ATOM 0 HA PRO A 28 -1.684 26.440 -1.666 1.00 15.43 H new ATOM 0 HB2 PRO A 28 -3.835 27.953 -0.766 1.00 55.45 H new ATOM 0 HB3 PRO A 28 -2.305 27.977 0.088 1.00 55.45 H new ATOM 0 HG2 PRO A 28 -3.391 29.956 -1.907 1.00 23.14 H new ATOM 0 HG3 PRO A 28 -2.556 30.262 -0.397 1.00 23.14 H new ATOM 0 HD2 PRO A 28 -1.268 30.408 -2.792 1.00 75.24 H new ATOM 0 HD3 PRO A 28 -0.437 29.896 -1.337 1.00 75.24 H new ATOM 432 N PHE A 29 -2.861 25.957 -3.827 1.00 31.35 N ATOM 433 CA PHE A 29 -3.777 25.470 -4.852 1.00 1.12 C ATOM 434 C PHE A 29 -3.227 24.213 -5.519 1.00 75.14 C ATOM 435 O PHE A 29 -2.930 24.211 -6.714 1.00 72.01 O ATOM 436 CB PHE A 29 -4.021 26.554 -5.903 1.00 54.34 C ATOM 437 CG PHE A 29 -5.147 26.233 -6.845 1.00 44.11 C ATOM 438 CD1 PHE A 29 -6.372 25.805 -6.361 1.00 11.01 C ATOM 439 CD2 PHE A 29 -4.978 26.359 -8.215 1.00 34.23 C ATOM 440 CE1 PHE A 29 -7.410 25.509 -7.225 1.00 23.03 C ATOM 441 CE2 PHE A 29 -6.012 26.065 -9.083 1.00 74.33 C ATOM 442 CZ PHE A 29 -7.229 25.638 -8.588 1.00 11.12 C ATOM 0 H PHE A 29 -1.971 25.460 -3.786 1.00 31.35 H new ATOM 0 HA PHE A 29 -4.723 25.220 -4.371 1.00 1.12 H new ATOM 0 HB2 PHE A 29 -4.237 27.496 -5.399 1.00 54.34 H new ATOM 0 HB3 PHE A 29 -3.107 26.703 -6.479 1.00 54.34 H new ATOM 0 HD1 PHE A 29 -6.518 25.701 -5.296 1.00 11.01 H new ATOM 0 HD2 PHE A 29 -4.028 26.690 -8.608 1.00 34.23 H new ATOM 0 HE1 PHE A 29 -8.361 25.177 -6.835 1.00 23.03 H new ATOM 0 HE2 PHE A 29 -5.869 26.169 -10.148 1.00 74.33 H new ATOM 0 HZ PHE A 29 -8.037 25.406 -9.266 1.00 11.12 H new ATOM 452 N ARG A 30 -3.095 23.145 -4.739 1.00 0.41 N ATOM 453 CA ARG A 30 -2.580 21.882 -5.253 1.00 42.20 C ATOM 454 C ARG A 30 -3.720 20.966 -5.688 1.00 13.53 C ATOM 455 O ARG A 30 -4.538 20.545 -4.870 1.00 30.42 O ATOM 456 CB ARG A 30 -1.728 21.184 -4.191 1.00 43.52 C ATOM 457 CG ARG A 30 -0.265 21.596 -4.217 1.00 1.41 C ATOM 458 CD ARG A 30 0.404 21.196 -5.523 1.00 13.23 C ATOM 459 NE ARG A 30 1.859 21.290 -5.444 1.00 0.22 N ATOM 460 CZ ARG A 30 2.658 21.222 -6.503 1.00 4.25 C ATOM 461 NH1 ARG A 30 2.146 21.061 -7.715 1.00 1.12 N ATOM 462 NH2 ARG A 30 3.973 21.316 -6.350 1.00 21.01 N ATOM 0 H ARG A 30 -3.338 23.129 -3.748 1.00 0.41 H new ATOM 0 HA ARG A 30 -1.959 22.099 -6.122 1.00 42.20 H new ATOM 0 HB2 ARG A 30 -2.141 21.401 -3.206 1.00 43.52 H new ATOM 0 HB3 ARG A 30 -1.796 20.106 -4.334 1.00 43.52 H new ATOM 0 HG2 ARG A 30 -0.187 22.675 -4.083 1.00 1.41 H new ATOM 0 HG3 ARG A 30 0.259 21.132 -3.381 1.00 1.41 H new ATOM 0 HD2 ARG A 30 0.120 20.175 -5.778 1.00 13.23 H new ATOM 0 HD3 ARG A 30 0.042 21.837 -6.327 1.00 13.23 H new ATOM 0 HE ARG A 30 2.285 21.415 -4.526 1.00 0.22 H new ATOM 0 HH11 ARG A 30 1.136 20.989 -7.836 1.00 1.12 H new ATOM 0 HH12 ARG A 30 2.762 21.009 -8.526 1.00 1.12 H new ATOM 0 HH21 ARG A 30 4.370 21.440 -5.419 1.00 21.01 H new ATOM 0 HH22 ARG A 30 4.586 21.264 -7.163 1.00 21.01 H new ATOM 476 N VAL A 31 -3.769 20.663 -6.981 1.00 40.41 N ATOM 477 CA VAL A 31 -4.808 19.798 -7.525 1.00 34.52 C ATOM 478 C VAL A 31 -4.294 18.375 -7.717 1.00 12.33 C ATOM 479 O VAL A 31 -3.240 18.161 -8.316 1.00 51.33 O ATOM 480 CB VAL A 31 -5.333 20.328 -8.872 1.00 41.32 C ATOM 481 CG1 VAL A 31 -6.037 21.663 -8.683 1.00 4.40 C ATOM 482 CG2 VAL A 31 -4.195 20.453 -9.874 1.00 53.14 C ATOM 0 H VAL A 31 -3.100 21.004 -7.672 1.00 40.41 H new ATOM 0 HA VAL A 31 -5.624 19.793 -6.803 1.00 34.52 H new ATOM 0 HB VAL A 31 -6.058 19.615 -9.266 1.00 41.32 H new ATOM 0 HG11 VAL A 31 -6.401 22.022 -9.646 1.00 4.40 H new ATOM 0 HG12 VAL A 31 -6.878 21.538 -8.001 1.00 4.40 H new ATOM 0 HG13 VAL A 31 -5.337 22.388 -8.267 1.00 4.40 H new ATOM 0 HG21 VAL A 31 -4.583 20.829 -10.821 1.00 53.14 H new ATOM 0 HG22 VAL A 31 -3.446 21.145 -9.489 1.00 53.14 H new ATOM 0 HG23 VAL A 31 -3.740 19.475 -10.031 1.00 53.14 H new ATOM 492 N ILE A 32 -5.045 17.406 -7.204 1.00 52.34 N ATOM 493 CA ILE A 32 -4.666 16.004 -7.321 1.00 21.20 C ATOM 494 C ILE A 32 -5.615 15.253 -8.248 1.00 73.24 C ATOM 495 O ILE A 32 -6.835 15.322 -8.094 1.00 5.20 O ATOM 496 CB ILE A 32 -4.652 15.308 -5.947 1.00 5.41 C ATOM 497 CG1 ILE A 32 -5.936 15.625 -5.177 1.00 64.23 C ATOM 498 CG2 ILE A 32 -3.430 15.738 -5.149 1.00 24.23 C ATOM 499 CD1 ILE A 32 -6.074 14.847 -3.887 1.00 72.04 C ATOM 0 H ILE A 32 -5.919 17.567 -6.704 1.00 52.34 H new ATOM 0 HA ILE A 32 -3.660 15.984 -7.740 1.00 21.20 H new ATOM 0 HB ILE A 32 -4.601 14.230 -6.102 1.00 5.41 H new ATOM 0 HG12 ILE A 32 -5.962 16.691 -4.953 1.00 64.23 H new ATOM 0 HG13 ILE A 32 -6.794 15.412 -5.814 1.00 64.23 H new ATOM 0 HG21 ILE A 32 -3.434 15.238 -4.180 1.00 24.23 H new ATOM 0 HG22 ILE A 32 -2.526 15.467 -5.694 1.00 24.23 H new ATOM 0 HG23 ILE A 32 -3.454 16.818 -5.000 1.00 24.23 H new ATOM 0 HD11 ILE A 32 -7.007 15.122 -3.394 1.00 72.04 H new ATOM 0 HD12 ILE A 32 -6.080 13.779 -4.105 1.00 72.04 H new ATOM 0 HD13 ILE A 32 -5.235 15.079 -3.231 1.00 72.04 H new ATOM 511 N SER A 33 -5.048 14.534 -9.211 1.00 65.43 N ATOM 512 CA SER A 33 -5.843 13.770 -10.166 1.00 12.34 C ATOM 513 C SER A 33 -5.937 12.306 -9.747 1.00 2.33 C ATOM 514 O SER A 33 -4.922 11.622 -9.613 1.00 21.14 O ATOM 515 CB SER A 33 -5.236 13.874 -11.566 1.00 54.21 C ATOM 516 OG SER A 33 -4.497 15.074 -11.714 1.00 24.23 O ATOM 0 H SER A 33 -4.040 14.464 -9.351 1.00 65.43 H new ATOM 0 HA SER A 33 -6.849 14.190 -10.182 1.00 12.34 H new ATOM 0 HB2 SER A 33 -4.586 13.018 -11.748 1.00 54.21 H new ATOM 0 HB3 SER A 33 -6.029 13.837 -12.313 1.00 54.21 H new ATOM 0 HG SER A 33 -4.118 15.116 -12.617 1.00 24.23 H new ATOM 522 N ILE A 34 -7.161 11.833 -9.542 1.00 14.32 N ATOM 523 CA ILE A 34 -7.388 10.451 -9.139 1.00 73.23 C ATOM 524 C ILE A 34 -8.722 9.936 -9.670 1.00 21.31 C ATOM 525 O ILE A 34 -9.687 10.690 -9.789 1.00 60.24 O ATOM 526 CB ILE A 34 -7.366 10.300 -7.607 1.00 25.42 C ATOM 527 CG1 ILE A 34 -7.514 8.828 -7.215 1.00 75.04 C ATOM 528 CG2 ILE A 34 -8.469 11.136 -6.976 1.00 21.54 C ATOM 529 CD1 ILE A 34 -7.441 8.589 -5.724 1.00 14.15 C ATOM 0 H ILE A 34 -8.011 12.386 -9.648 1.00 14.32 H new ATOM 0 HA ILE A 34 -6.577 9.861 -9.565 1.00 73.23 H new ATOM 0 HB ILE A 34 -6.407 10.660 -7.235 1.00 25.42 H new ATOM 0 HG12 ILE A 34 -8.468 8.455 -7.588 1.00 75.04 H new ATOM 0 HG13 ILE A 34 -6.732 8.249 -7.706 1.00 75.04 H new ATOM 0 HG21 ILE A 34 -8.440 11.018 -5.893 1.00 21.54 H new ATOM 0 HG22 ILE A 34 -8.321 12.185 -7.231 1.00 21.54 H new ATOM 0 HG23 ILE A 34 -9.437 10.804 -7.351 1.00 21.54 H new ATOM 0 HD11 ILE A 34 -7.554 7.524 -5.520 1.00 14.15 H new ATOM 0 HD12 ILE A 34 -6.477 8.931 -5.348 1.00 14.15 H new ATOM 0 HD13 ILE A 34 -8.240 9.140 -5.228 1.00 14.15 H new ATOM 541 N ALA A 35 -8.768 8.645 -9.985 1.00 54.42 N ATOM 542 CA ALA A 35 -9.985 8.028 -10.499 1.00 44.03 C ATOM 543 C ALA A 35 -11.018 7.847 -9.393 1.00 55.40 C ATOM 544 O ALA A 35 -10.668 7.700 -8.223 1.00 14.24 O ATOM 545 CB ALA A 35 -9.664 6.690 -11.148 1.00 25.41 C ATOM 0 H ALA A 35 -7.977 8.007 -9.893 1.00 54.42 H new ATOM 0 HA ALA A 35 -10.410 8.692 -11.252 1.00 44.03 H new ATOM 0 HB1 ALA A 35 -10.582 6.240 -11.527 1.00 25.41 H new ATOM 0 HB2 ALA A 35 -8.967 6.843 -11.972 1.00 25.41 H new ATOM 0 HB3 ALA A 35 -9.213 6.027 -10.410 1.00 25.41 H new ATOM 551 N GLU A 36 -12.293 7.861 -9.772 1.00 64.31 N ATOM 552 CA GLU A 36 -13.377 7.700 -8.810 1.00 63.23 C ATOM 553 C GLU A 36 -13.269 6.360 -8.088 1.00 72.44 C ATOM 554 O GLU A 36 -13.771 6.201 -6.976 1.00 72.43 O ATOM 555 CB GLU A 36 -14.732 7.806 -9.513 1.00 63.42 C ATOM 556 CG GLU A 36 -15.876 8.158 -8.578 1.00 54.34 C ATOM 557 CD GLU A 36 -16.776 9.242 -9.141 1.00 33.43 C ATOM 558 OE1 GLU A 36 -17.018 10.240 -8.430 1.00 22.43 O ATOM 559 OE2 GLU A 36 -17.239 9.092 -10.291 1.00 21.43 O ATOM 0 H GLU A 36 -12.600 7.982 -10.737 1.00 64.31 H new ATOM 0 HA GLU A 36 -13.295 8.498 -8.072 1.00 63.23 H new ATOM 0 HB2 GLU A 36 -14.668 8.562 -10.296 1.00 63.42 H new ATOM 0 HB3 GLU A 36 -14.953 6.858 -10.003 1.00 63.42 H new ATOM 0 HG2 GLU A 36 -16.468 7.264 -8.382 1.00 54.34 H new ATOM 0 HG3 GLU A 36 -15.471 8.488 -7.621 1.00 54.34 H new ATOM 566 N GLU A 37 -12.611 5.399 -8.731 1.00 14.35 N ATOM 567 CA GLU A 37 -12.439 4.073 -8.150 1.00 74.43 C ATOM 568 C GLU A 37 -10.965 3.781 -7.887 1.00 62.23 C ATOM 569 O GLU A 37 -10.595 2.659 -7.543 1.00 31.23 O ATOM 570 CB GLU A 37 -13.024 3.006 -9.079 1.00 30.15 C ATOM 571 CG GLU A 37 -14.212 2.268 -8.485 1.00 71.31 C ATOM 572 CD GLU A 37 -13.882 1.594 -7.167 1.00 44.42 C ATOM 573 OE1 GLU A 37 -14.567 1.886 -6.164 1.00 44.45 O ATOM 574 OE2 GLU A 37 -12.939 0.776 -7.138 1.00 43.42 O ATOM 0 H GLU A 37 -12.189 5.514 -9.653 1.00 14.35 H new ATOM 0 HA GLU A 37 -12.971 4.049 -7.199 1.00 74.43 H new ATOM 0 HB2 GLU A 37 -13.330 3.477 -10.013 1.00 30.15 H new ATOM 0 HB3 GLU A 37 -12.245 2.285 -9.326 1.00 30.15 H new ATOM 0 HG2 GLU A 37 -15.032 2.970 -8.334 1.00 71.31 H new ATOM 0 HG3 GLU A 37 -14.561 1.518 -9.195 1.00 71.31 H new ATOM 581 N ALA A 38 -10.127 4.799 -8.053 1.00 54.43 N ATOM 582 CA ALA A 38 -8.694 4.654 -7.833 1.00 20.51 C ATOM 583 C ALA A 38 -8.346 4.818 -6.357 1.00 60.43 C ATOM 584 O ALA A 38 -9.076 5.443 -5.588 1.00 73.12 O ATOM 585 CB ALA A 38 -7.925 5.662 -8.674 1.00 14.13 C ATOM 0 H ALA A 38 -10.417 5.734 -8.339 1.00 54.43 H new ATOM 0 HA ALA A 38 -8.405 3.648 -8.138 1.00 20.51 H new ATOM 0 HB1 ALA A 38 -6.856 5.542 -8.499 1.00 14.13 H new ATOM 0 HB2 ALA A 38 -8.141 5.495 -9.729 1.00 14.13 H new ATOM 0 HB3 ALA A 38 -8.226 6.672 -8.397 1.00 14.13 H new ATOM 591 N PRO A 39 -7.204 4.243 -5.950 1.00 74.12 N ATOM 592 CA PRO A 39 -6.734 4.312 -4.564 1.00 30.24 C ATOM 593 C PRO A 39 -6.281 5.715 -4.174 1.00 72.21 C ATOM 594 O PRO A 39 -5.669 6.425 -4.973 1.00 72.01 O ATOM 595 CB PRO A 39 -5.550 3.342 -4.542 1.00 44.42 C ATOM 596 CG PRO A 39 -5.065 3.305 -5.951 1.00 34.24 C ATOM 597 CD PRO A 39 -6.285 3.482 -6.813 1.00 23.05 C ATOM 0 HA PRO A 39 -7.522 4.061 -3.854 1.00 30.24 H new ATOM 0 HB2 PRO A 39 -4.769 3.685 -3.863 1.00 44.42 H new ATOM 0 HB3 PRO A 39 -5.855 2.352 -4.202 1.00 44.42 H new ATOM 0 HG2 PRO A 39 -4.339 4.097 -6.135 1.00 34.24 H new ATOM 0 HG3 PRO A 39 -4.568 2.360 -6.168 1.00 34.24 H new ATOM 0 HD2 PRO A 39 -6.054 4.024 -7.730 1.00 23.05 H new ATOM 0 HD3 PRO A 39 -6.712 2.523 -7.108 1.00 23.05 H new ATOM 605 N LEU A 40 -6.585 6.109 -2.942 1.00 61.23 N ATOM 606 CA LEU A 40 -6.208 7.428 -2.446 1.00 73.03 C ATOM 607 C LEU A 40 -4.721 7.688 -2.666 1.00 14.23 C ATOM 608 O LEU A 40 -4.304 8.826 -2.883 1.00 51.22 O ATOM 609 CB LEU A 40 -6.545 7.551 -0.959 1.00 71.42 C ATOM 610 CG LEU A 40 -6.224 8.896 -0.307 1.00 32.10 C ATOM 611 CD1 LEU A 40 -4.760 8.956 0.101 1.00 73.32 C ATOM 612 CD2 LEU A 40 -6.564 10.040 -1.250 1.00 51.54 C ATOM 0 H LEU A 40 -7.091 5.534 -2.269 1.00 61.23 H new ATOM 0 HA LEU A 40 -6.774 8.174 -3.003 1.00 73.03 H new ATOM 0 HB2 LEU A 40 -7.609 7.352 -0.831 1.00 71.42 H new ATOM 0 HB3 LEU A 40 -6.008 6.771 -0.420 1.00 71.42 H new ATOM 0 HG LEU A 40 -6.834 8.998 0.590 1.00 32.10 H new ATOM 0 HD11 LEU A 40 -4.550 9.921 0.563 1.00 73.32 H new ATOM 0 HD12 LEU A 40 -4.548 8.159 0.813 1.00 73.32 H new ATOM 0 HD13 LEU A 40 -4.131 8.832 -0.781 1.00 73.32 H new ATOM 0 HD21 LEU A 40 -6.329 10.990 -0.769 1.00 51.54 H new ATOM 0 HD22 LEU A 40 -5.981 9.942 -2.166 1.00 51.54 H new ATOM 0 HD23 LEU A 40 -7.626 10.009 -1.492 1.00 51.54 H new ATOM 624 N THR A 41 -3.925 6.625 -2.609 1.00 51.04 N ATOM 625 CA THR A 41 -2.485 6.738 -2.803 1.00 20.32 C ATOM 626 C THR A 41 -2.160 7.507 -4.078 1.00 71.54 C ATOM 627 O THR A 41 -1.131 8.175 -4.166 1.00 44.02 O ATOM 628 CB THR A 41 -1.817 5.351 -2.868 1.00 42.33 C ATOM 629 OG1 THR A 41 -2.729 4.346 -2.413 1.00 71.21 O ATOM 630 CG2 THR A 41 -0.554 5.319 -2.021 1.00 20.33 C ATOM 0 H THR A 41 -4.253 5.676 -2.430 1.00 51.04 H new ATOM 0 HA THR A 41 -2.092 7.283 -1.944 1.00 20.32 H new ATOM 0 HB THR A 41 -1.545 5.151 -3.904 1.00 42.33 H new ATOM 0 HG1 THR A 41 -2.297 3.467 -2.459 1.00 71.21 H new ATOM 0 HG21 THR A 41 -0.100 4.330 -2.082 1.00 20.33 H new ATOM 0 HG22 THR A 41 0.150 6.065 -2.389 1.00 20.33 H new ATOM 0 HG23 THR A 41 -0.806 5.539 -0.984 1.00 20.33 H new ATOM 638 N ALA A 42 -3.045 7.408 -5.065 1.00 61.40 N ATOM 639 CA ALA A 42 -2.853 8.096 -6.335 1.00 40.52 C ATOM 640 C ALA A 42 -2.751 9.604 -6.132 1.00 50.30 C ATOM 641 O ALA A 42 -1.995 10.284 -6.825 1.00 63.23 O ATOM 642 CB ALA A 42 -3.989 7.766 -7.292 1.00 14.54 C ATOM 0 H ALA A 42 -3.902 6.858 -5.009 1.00 61.40 H new ATOM 0 HA ALA A 42 -1.915 7.750 -6.769 1.00 40.52 H new ATOM 0 HB1 ALA A 42 -3.832 8.287 -8.236 1.00 14.54 H new ATOM 0 HB2 ALA A 42 -4.014 6.691 -7.470 1.00 14.54 H new ATOM 0 HB3 ALA A 42 -4.936 8.083 -6.856 1.00 14.54 H new ATOM 648 N ALA A 43 -3.518 10.121 -5.178 1.00 0.33 N ATOM 649 CA ALA A 43 -3.513 11.549 -4.883 1.00 25.22 C ATOM 650 C ALA A 43 -2.270 11.941 -4.091 1.00 1.12 C ATOM 651 O ALA A 43 -1.799 13.076 -4.177 1.00 22.01 O ATOM 652 CB ALA A 43 -4.771 11.935 -4.120 1.00 21.14 C ATOM 0 H ALA A 43 -4.151 9.572 -4.596 1.00 0.33 H new ATOM 0 HA ALA A 43 -3.495 12.090 -5.829 1.00 25.22 H new ATOM 0 HB1 ALA A 43 -4.754 13.004 -3.907 1.00 21.14 H new ATOM 0 HB2 ALA A 43 -5.648 11.699 -4.722 1.00 21.14 H new ATOM 0 HB3 ALA A 43 -4.814 11.379 -3.184 1.00 21.14 H new ATOM 658 N LEU A 44 -1.743 10.997 -3.319 1.00 74.42 N ATOM 659 CA LEU A 44 -0.555 11.244 -2.510 1.00 63.25 C ATOM 660 C LEU A 44 0.564 11.843 -3.356 1.00 64.13 C ATOM 661 O LEU A 44 1.395 12.602 -2.857 1.00 22.33 O ATOM 662 CB LEU A 44 -0.078 9.945 -1.859 1.00 65.52 C ATOM 663 CG LEU A 44 0.251 10.023 -0.368 1.00 64.40 C ATOM 664 CD1 LEU A 44 -1.015 10.227 0.448 1.00 14.21 C ATOM 665 CD2 LEU A 44 0.982 8.766 0.083 1.00 11.35 C ATOM 0 H LEU A 44 -2.120 10.053 -3.236 1.00 74.42 H new ATOM 0 HA LEU A 44 -0.818 11.958 -1.730 1.00 63.25 H new ATOM 0 HB2 LEU A 44 -0.848 9.187 -2.002 1.00 65.52 H new ATOM 0 HB3 LEU A 44 0.810 9.601 -2.389 1.00 65.52 H new ATOM 0 HG LEU A 44 0.906 10.879 -0.204 1.00 64.40 H new ATOM 0 HD11 LEU A 44 -0.761 10.280 1.507 1.00 14.21 H new ATOM 0 HD12 LEU A 44 -1.498 11.155 0.144 1.00 14.21 H new ATOM 0 HD13 LEU A 44 -1.695 9.392 0.280 1.00 14.21 H new ATOM 0 HD21 LEU A 44 1.208 8.839 1.147 1.00 11.35 H new ATOM 0 HD22 LEU A 44 0.352 7.895 -0.095 1.00 11.35 H new ATOM 0 HD23 LEU A 44 1.910 8.663 -0.479 1.00 11.35 H new ATOM 677 N ARG A 45 0.578 11.498 -4.640 1.00 3.42 N ATOM 678 CA ARG A 45 1.595 12.003 -5.555 1.00 75.03 C ATOM 679 C ARG A 45 1.687 13.524 -5.480 1.00 52.22 C ATOM 680 O ARG A 45 2.757 14.080 -5.235 1.00 4.43 O ATOM 681 CB ARG A 45 1.280 11.571 -6.989 1.00 20.44 C ATOM 682 CG ARG A 45 2.065 10.351 -7.443 1.00 42.00 C ATOM 683 CD ARG A 45 1.946 10.139 -8.944 1.00 40.32 C ATOM 684 NE ARG A 45 3.237 10.251 -9.617 1.00 5.31 N ATOM 685 CZ ARG A 45 4.147 9.283 -9.627 1.00 2.41 C ATOM 686 NH1 ARG A 45 3.908 8.138 -9.004 1.00 71.32 N ATOM 687 NH2 ARG A 45 5.299 9.461 -10.261 1.00 62.42 N ATOM 0 H ARG A 45 -0.103 10.872 -5.070 1.00 3.42 H new ATOM 0 HA ARG A 45 2.556 11.583 -5.258 1.00 75.03 H new ATOM 0 HB2 ARG A 45 0.214 11.358 -7.069 1.00 20.44 H new ATOM 0 HB3 ARG A 45 1.491 12.400 -7.664 1.00 20.44 H new ATOM 0 HG2 ARG A 45 3.114 10.471 -7.173 1.00 42.00 H new ATOM 0 HG3 ARG A 45 1.701 9.467 -6.920 1.00 42.00 H new ATOM 0 HD2 ARG A 45 1.520 9.155 -9.138 1.00 40.32 H new ATOM 0 HD3 ARG A 45 1.256 10.873 -9.360 1.00 40.32 H new ATOM 0 HE ARG A 45 3.452 11.120 -10.106 1.00 5.31 H new ATOM 0 HH11 ARG A 45 3.024 7.998 -8.515 1.00 71.32 H new ATOM 0 HH12 ARG A 45 4.608 7.396 -9.013 1.00 71.32 H new ATOM 0 HH21 ARG A 45 5.486 10.341 -10.741 1.00 62.42 H new ATOM 0 HH22 ARG A 45 5.997 8.718 -10.268 1.00 62.42 H new ATOM 701 N PHE A 46 0.558 14.192 -5.694 1.00 33.41 N ATOM 702 CA PHE A 46 0.511 15.649 -5.652 1.00 61.51 C ATOM 703 C PHE A 46 0.283 16.145 -4.227 1.00 62.32 C ATOM 704 O PHE A 46 0.748 17.221 -3.852 1.00 32.54 O ATOM 705 CB PHE A 46 -0.597 16.171 -6.569 1.00 45.14 C ATOM 706 CG PHE A 46 -0.097 16.639 -7.906 1.00 43.31 C ATOM 707 CD1 PHE A 46 -0.104 17.986 -8.230 1.00 52.33 C ATOM 708 CD2 PHE A 46 0.380 15.732 -8.839 1.00 2.23 C ATOM 709 CE1 PHE A 46 0.355 18.421 -9.459 1.00 64.35 C ATOM 710 CE2 PHE A 46 0.841 16.161 -10.069 1.00 64.41 C ATOM 711 CZ PHE A 46 0.828 17.506 -10.380 1.00 51.33 C ATOM 0 H PHE A 46 -0.337 13.747 -5.898 1.00 33.41 H new ATOM 0 HA PHE A 46 1.471 16.029 -6.001 1.00 61.51 H new ATOM 0 HB2 PHE A 46 -1.334 15.382 -6.721 1.00 45.14 H new ATOM 0 HB3 PHE A 46 -1.110 16.995 -6.073 1.00 45.14 H new ATOM 0 HD1 PHE A 46 -0.473 18.705 -7.513 1.00 52.33 H new ATOM 0 HD2 PHE A 46 0.392 14.678 -8.602 1.00 2.23 H new ATOM 0 HE1 PHE A 46 0.344 19.474 -9.699 1.00 64.35 H new ATOM 0 HE2 PHE A 46 1.211 15.444 -10.787 1.00 64.41 H new ATOM 0 HZ PHE A 46 1.187 17.842 -11.341 1.00 51.33 H new ATOM 721 N ALA A 47 -0.436 15.352 -3.439 1.00 42.30 N ATOM 722 CA ALA A 47 -0.725 15.709 -2.056 1.00 4.24 C ATOM 723 C ALA A 47 0.558 15.831 -1.241 1.00 25.44 C ATOM 724 O ALA A 47 0.639 16.629 -0.308 1.00 43.41 O ATOM 725 CB ALA A 47 -1.655 14.682 -1.429 1.00 32.43 C ATOM 0 H ALA A 47 -0.829 14.458 -3.735 1.00 42.30 H new ATOM 0 HA ALA A 47 -1.220 16.680 -2.053 1.00 4.24 H new ATOM 0 HB1 ALA A 47 -1.862 14.961 -0.396 1.00 32.43 H new ATOM 0 HB2 ALA A 47 -2.589 14.647 -1.990 1.00 32.43 H new ATOM 0 HB3 ALA A 47 -1.181 13.701 -1.451 1.00 32.43 H new ATOM 731 N ALA A 48 1.559 15.032 -1.598 1.00 40.45 N ATOM 732 CA ALA A 48 2.839 15.052 -0.901 1.00 33.21 C ATOM 733 C ALA A 48 3.543 16.392 -1.083 1.00 13.24 C ATOM 734 O ALA A 48 4.336 16.806 -0.238 1.00 15.25 O ATOM 735 CB ALA A 48 3.725 13.917 -1.392 1.00 40.04 C ATOM 0 H ALA A 48 1.508 14.363 -2.366 1.00 40.45 H new ATOM 0 HA ALA A 48 2.647 14.914 0.163 1.00 33.21 H new ATOM 0 HB1 ALA A 48 4.678 13.944 -0.863 1.00 40.04 H new ATOM 0 HB2 ALA A 48 3.232 12.963 -1.204 1.00 40.04 H new ATOM 0 HB3 ALA A 48 3.901 14.029 -2.462 1.00 40.04 H new ATOM 741 N GLU A 49 3.248 17.065 -2.191 1.00 31.03 N ATOM 742 CA GLU A 49 3.855 18.358 -2.483 1.00 10.23 C ATOM 743 C GLU A 49 3.150 19.475 -1.718 1.00 41.13 C ATOM 744 O GLU A 49 3.785 20.426 -1.264 1.00 41.33 O ATOM 745 CB GLU A 49 3.804 18.643 -3.985 1.00 62.33 C ATOM 746 CG GLU A 49 4.203 17.454 -4.844 1.00 12.03 C ATOM 747 CD GLU A 49 4.668 17.864 -6.228 1.00 31.44 C ATOM 748 OE1 GLU A 49 4.126 17.329 -7.217 1.00 73.45 O ATOM 749 OE2 GLU A 49 5.573 18.718 -6.321 1.00 44.21 O ATOM 0 H GLU A 49 2.593 16.736 -2.900 1.00 31.03 H new ATOM 0 HA GLU A 49 4.896 18.322 -2.163 1.00 10.23 H new ATOM 0 HB2 GLU A 49 2.794 18.952 -4.254 1.00 62.33 H new ATOM 0 HB3 GLU A 49 4.464 19.481 -4.210 1.00 62.33 H new ATOM 0 HG2 GLU A 49 5.000 16.902 -4.346 1.00 12.03 H new ATOM 0 HG3 GLU A 49 3.355 16.776 -4.936 1.00 12.03 H new ATOM 756 N GLU A 50 1.834 19.351 -1.581 1.00 54.35 N ATOM 757 CA GLU A 50 1.042 20.351 -0.874 1.00 25.14 C ATOM 758 C GLU A 50 1.482 20.461 0.583 1.00 24.15 C ATOM 759 O GLU A 50 1.621 21.560 1.121 1.00 53.15 O ATOM 760 CB GLU A 50 -0.445 19.999 -0.944 1.00 11.45 C ATOM 761 CG GLU A 50 -1.347 21.037 -0.296 1.00 62.03 C ATOM 762 CD GLU A 50 -1.035 22.448 -0.755 1.00 2.34 C ATOM 763 OE1 GLU A 50 -1.824 23.001 -1.549 1.00 42.34 O ATOM 764 OE2 GLU A 50 -0.002 23.000 -0.319 1.00 74.44 O ATOM 0 H GLU A 50 1.294 18.568 -1.950 1.00 54.35 H new ATOM 0 HA GLU A 50 1.203 21.314 -1.358 1.00 25.14 H new ATOM 0 HB2 GLU A 50 -0.733 19.881 -1.989 1.00 11.45 H new ATOM 0 HB3 GLU A 50 -0.605 19.036 -0.458 1.00 11.45 H new ATOM 0 HG2 GLU A 50 -2.387 20.805 -0.528 1.00 62.03 H new ATOM 0 HG3 GLU A 50 -1.241 20.979 0.787 1.00 62.03 H new ATOM 771 N PHE A 51 1.700 19.314 1.218 1.00 62.32 N ATOM 772 CA PHE A 51 2.123 19.280 2.613 1.00 32.11 C ATOM 773 C PHE A 51 3.644 19.235 2.720 1.00 43.44 C ATOM 774 O PHE A 51 4.216 19.589 3.750 1.00 60.21 O ATOM 775 CB PHE A 51 1.515 18.068 3.323 1.00 51.31 C ATOM 776 CG PHE A 51 0.636 18.433 4.485 1.00 5.03 C ATOM 777 CD1 PHE A 51 -0.626 17.878 4.618 1.00 62.51 C ATOM 778 CD2 PHE A 51 1.073 19.332 5.445 1.00 30.13 C ATOM 779 CE1 PHE A 51 -1.437 18.211 5.687 1.00 63.34 C ATOM 780 CE2 PHE A 51 0.267 19.668 6.516 1.00 11.52 C ATOM 781 CZ PHE A 51 -0.990 19.108 6.636 1.00 1.24 C ATOM 0 H PHE A 51 1.591 18.395 0.788 1.00 62.32 H new ATOM 0 HA PHE A 51 1.769 20.191 3.096 1.00 32.11 H new ATOM 0 HB2 PHE A 51 0.933 17.490 2.605 1.00 51.31 H new ATOM 0 HB3 PHE A 51 2.319 17.422 3.675 1.00 51.31 H new ATOM 0 HD1 PHE A 51 -0.981 17.176 3.878 1.00 62.51 H new ATOM 0 HD2 PHE A 51 2.054 19.775 5.355 1.00 30.13 H new ATOM 0 HE1 PHE A 51 -2.419 17.770 5.779 1.00 63.34 H new ATOM 0 HE2 PHE A 51 0.620 20.368 7.259 1.00 11.52 H new ATOM 0 HZ PHE A 51 -1.622 19.372 7.471 1.00 1.24 H new ATOM 791 N GLY A 52 4.294 18.797 1.646 1.00 44.35 N ATOM 792 CA GLY A 52 5.743 18.713 1.638 1.00 1.43 C ATOM 793 C GLY A 52 6.253 17.436 2.275 1.00 61.34 C ATOM 794 O GLY A 52 7.459 17.188 2.305 1.00 50.12 O ATOM 0 H GLY A 52 3.843 18.499 0.781 1.00 44.35 H new ATOM 0 HA2 GLY A 52 6.102 18.771 0.610 1.00 1.43 H new ATOM 0 HA3 GLY A 52 6.157 19.571 2.169 1.00 1.43 H new ATOM 798 N ILE A 53 5.334 16.623 2.785 1.00 1.35 N ATOM 799 CA ILE A 53 5.698 15.365 3.425 1.00 61.14 C ATOM 800 C ILE A 53 4.855 14.213 2.890 1.00 74.41 C ATOM 801 O ILE A 53 4.083 14.381 1.946 1.00 20.30 O ATOM 802 CB ILE A 53 5.532 15.441 4.954 1.00 52.52 C ATOM 803 CG1 ILE A 53 4.053 15.577 5.322 1.00 72.23 C ATOM 804 CG2 ILE A 53 6.332 16.607 5.516 1.00 52.11 C ATOM 805 CD1 ILE A 53 3.805 15.647 6.812 1.00 11.33 C ATOM 0 H ILE A 53 4.332 16.813 2.767 1.00 1.35 H new ATOM 0 HA ILE A 53 6.747 15.184 3.191 1.00 61.14 H new ATOM 0 HB ILE A 53 5.913 14.519 5.392 1.00 52.52 H new ATOM 0 HG12 ILE A 53 3.651 16.475 4.852 1.00 72.23 H new ATOM 0 HG13 ILE A 53 3.505 14.730 4.910 1.00 72.23 H new ATOM 0 HG21 ILE A 53 6.205 16.648 6.598 1.00 52.11 H new ATOM 0 HG22 ILE A 53 7.387 16.472 5.280 1.00 52.11 H new ATOM 0 HG23 ILE A 53 5.978 17.538 5.074 1.00 52.11 H new ATOM 0 HD11 ILE A 53 2.735 15.743 6.999 1.00 11.33 H new ATOM 0 HD12 ILE A 53 4.176 14.738 7.286 1.00 11.33 H new ATOM 0 HD13 ILE A 53 4.324 16.511 7.227 1.00 11.33 H new ATOM 817 N ALA A 54 5.006 13.042 3.501 1.00 1.30 N ATOM 818 CA ALA A 54 4.256 11.863 3.089 1.00 34.42 C ATOM 819 C ALA A 54 4.007 10.930 4.270 1.00 14.41 C ATOM 820 O ALA A 54 4.740 9.964 4.476 1.00 63.35 O ATOM 821 CB ALA A 54 4.994 11.127 1.981 1.00 44.43 C ATOM 0 H ALA A 54 5.641 12.885 4.283 1.00 1.30 H new ATOM 0 HA ALA A 54 3.289 12.194 2.709 1.00 34.42 H new ATOM 0 HB1 ALA A 54 4.421 10.248 1.684 1.00 44.43 H new ATOM 0 HB2 ALA A 54 5.116 11.788 1.123 1.00 44.43 H new ATOM 0 HB3 ALA A 54 5.975 10.816 2.341 1.00 44.43 H new ATOM 827 N SER A 55 2.968 11.228 5.044 1.00 75.31 N ATOM 828 CA SER A 55 2.625 10.418 6.207 1.00 14.44 C ATOM 829 C SER A 55 1.386 10.970 6.907 1.00 72.23 C ATOM 830 O SER A 55 0.298 10.403 6.806 1.00 54.05 O ATOM 831 CB SER A 55 3.799 10.372 7.187 1.00 50.31 C ATOM 832 OG SER A 55 3.364 10.019 8.488 1.00 11.15 O ATOM 0 H SER A 55 2.350 12.024 4.887 1.00 75.31 H new ATOM 0 HA SER A 55 2.407 9.407 5.863 1.00 14.44 H new ATOM 0 HB2 SER A 55 4.539 9.651 6.839 1.00 50.31 H new ATOM 0 HB3 SER A 55 4.291 11.344 7.216 1.00 50.31 H new ATOM 0 HG SER A 55 4.133 9.995 9.095 1.00 11.15 H new ATOM 838 N VAL A 56 1.560 12.080 7.617 1.00 73.02 N ATOM 839 CA VAL A 56 0.457 12.710 8.333 1.00 51.12 C ATOM 840 C VAL A 56 -0.606 13.219 7.366 1.00 14.01 C ATOM 841 O VAL A 56 -1.760 13.422 7.746 1.00 4.34 O ATOM 842 CB VAL A 56 0.949 13.883 9.201 1.00 30.04 C ATOM 843 CG1 VAL A 56 -0.209 14.501 9.969 1.00 11.55 C ATOM 844 CG2 VAL A 56 2.043 13.419 10.152 1.00 53.43 C ATOM 0 H VAL A 56 2.454 12.562 7.712 1.00 73.02 H new ATOM 0 HA VAL A 56 0.022 11.947 8.979 1.00 51.12 H new ATOM 0 HB VAL A 56 1.368 14.647 8.546 1.00 30.04 H new ATOM 0 HG11 VAL A 56 0.158 15.328 10.577 1.00 11.55 H new ATOM 0 HG12 VAL A 56 -0.956 14.870 9.266 1.00 11.55 H new ATOM 0 HG13 VAL A 56 -0.660 13.748 10.615 1.00 11.55 H new ATOM 0 HG21 VAL A 56 2.379 14.260 10.758 1.00 53.43 H new ATOM 0 HG22 VAL A 56 1.652 12.637 10.803 1.00 53.43 H new ATOM 0 HG23 VAL A 56 2.882 13.027 9.578 1.00 53.43 H new ATOM 854 N ASP A 57 -0.211 13.423 6.114 1.00 31.53 N ATOM 855 CA ASP A 57 -1.131 13.907 5.091 1.00 23.52 C ATOM 856 C ASP A 57 -2.249 12.899 4.845 1.00 31.31 C ATOM 857 O ASP A 57 -3.287 13.235 4.274 1.00 23.24 O ATOM 858 CB ASP A 57 -0.379 14.181 3.788 1.00 43.01 C ATOM 859 CG ASP A 57 -1.308 14.288 2.595 1.00 50.31 C ATOM 860 OD1 ASP A 57 -1.155 13.487 1.649 1.00 31.33 O ATOM 861 OD2 ASP A 57 -2.189 15.173 2.607 1.00 2.21 O ATOM 0 H ASP A 57 0.740 13.261 5.783 1.00 31.53 H new ATOM 0 HA ASP A 57 -1.576 14.836 5.447 1.00 23.52 H new ATOM 0 HB2 ASP A 57 0.188 15.106 3.887 1.00 43.01 H new ATOM 0 HB3 ASP A 57 0.342 13.382 3.613 1.00 43.01 H new ATOM 866 N SER A 58 -2.030 11.661 5.279 1.00 42.45 N ATOM 867 CA SER A 58 -3.017 10.603 5.101 1.00 70.01 C ATOM 868 C SER A 58 -4.325 10.957 5.803 1.00 62.44 C ATOM 869 O SER A 58 -5.405 10.566 5.360 1.00 45.11 O ATOM 870 CB SER A 58 -2.477 9.277 5.641 1.00 14.31 C ATOM 871 OG SER A 58 -2.218 9.361 7.032 1.00 41.13 O ATOM 0 H SER A 58 -1.178 11.367 5.756 1.00 42.45 H new ATOM 0 HA SER A 58 -3.214 10.499 4.034 1.00 70.01 H new ATOM 0 HB2 SER A 58 -3.198 8.482 5.449 1.00 14.31 H new ATOM 0 HB3 SER A 58 -1.561 9.011 5.113 1.00 14.31 H new ATOM 0 HG SER A 58 -3.025 9.116 7.530 1.00 41.13 H new ATOM 877 N MET A 59 -4.218 11.699 6.900 1.00 32.51 N ATOM 878 CA MET A 59 -5.392 12.106 7.663 1.00 11.33 C ATOM 879 C MET A 59 -5.114 13.385 8.447 1.00 25.23 C ATOM 880 O MET A 59 -4.950 13.353 9.667 1.00 55.03 O ATOM 881 CB MET A 59 -5.818 10.991 8.619 1.00 32.53 C ATOM 882 CG MET A 59 -4.683 10.463 9.482 1.00 13.43 C ATOM 883 SD MET A 59 -4.374 8.706 9.225 1.00 22.20 S ATOM 884 CE MET A 59 -4.790 8.049 10.839 1.00 63.04 C ATOM 0 H MET A 59 -3.331 12.030 7.280 1.00 32.51 H new ATOM 0 HA MET A 59 -6.202 12.300 6.960 1.00 11.33 H new ATOM 0 HB2 MET A 59 -6.613 11.362 9.266 1.00 32.53 H new ATOM 0 HB3 MET A 59 -6.237 10.168 8.040 1.00 32.53 H new ATOM 0 HG2 MET A 59 -3.774 11.024 9.263 1.00 13.43 H new ATOM 0 HG3 MET A 59 -4.919 10.637 10.532 1.00 13.43 H new ATOM 0 HE1 MET A 59 -4.649 6.968 10.839 1.00 63.04 H new ATOM 0 HE2 MET A 59 -4.144 8.499 11.593 1.00 63.04 H new ATOM 0 HE3 MET A 59 -5.830 8.279 11.068 1.00 63.04 H new ATOM 894 N ALA A 60 -5.060 14.508 7.739 1.00 11.22 N ATOM 895 CA ALA A 60 -4.803 15.797 8.370 1.00 40.04 C ATOM 896 C ALA A 60 -5.512 16.923 7.626 1.00 55.33 C ATOM 897 O ALA A 60 -4.876 17.729 6.947 1.00 12.13 O ATOM 898 CB ALA A 60 -3.306 16.064 8.433 1.00 55.41 C ATOM 0 H ALA A 60 -5.191 14.552 6.728 1.00 11.22 H new ATOM 0 HA ALA A 60 -5.198 15.762 9.385 1.00 40.04 H new ATOM 0 HB1 ALA A 60 -3.128 17.030 8.906 1.00 55.41 H new ATOM 0 HB2 ALA A 60 -2.821 15.280 9.014 1.00 55.41 H new ATOM 0 HB3 ALA A 60 -2.895 16.074 7.423 1.00 55.41 H new ATOM 904 N ALA A 61 -6.834 16.972 7.757 1.00 11.41 N ATOM 905 CA ALA A 61 -7.630 18.001 7.098 1.00 25.12 C ATOM 906 C ALA A 61 -8.970 18.192 7.800 1.00 22.11 C ATOM 907 O ALA A 61 -9.524 17.251 8.370 1.00 54.43 O ATOM 908 CB ALA A 61 -7.844 17.645 5.634 1.00 11.25 C ATOM 0 H ALA A 61 -7.376 16.311 8.313 1.00 11.41 H new ATOM 0 HA ALA A 61 -7.083 18.942 7.155 1.00 25.12 H new ATOM 0 HB1 ALA A 61 -8.440 18.421 5.154 1.00 11.25 H new ATOM 0 HB2 ALA A 61 -6.879 17.567 5.134 1.00 11.25 H new ATOM 0 HB3 ALA A 61 -8.367 16.691 5.564 1.00 11.25 H new ATOM 914 N THR A 62 -9.486 19.416 7.756 1.00 14.24 N ATOM 915 CA THR A 62 -10.761 19.731 8.390 1.00 43.14 C ATOM 916 C THR A 62 -11.733 20.348 7.391 1.00 73.10 C ATOM 917 O THR A 62 -11.324 21.008 6.435 1.00 3.14 O ATOM 918 CB THR A 62 -10.576 20.699 9.574 1.00 63.04 C ATOM 919 OG1 THR A 62 -9.500 21.605 9.302 1.00 33.24 O ATOM 920 CG2 THR A 62 -10.290 19.935 10.858 1.00 73.14 C ATOM 0 H THR A 62 -9.041 20.206 7.288 1.00 14.24 H new ATOM 0 HA THR A 62 -11.171 18.791 8.760 1.00 43.14 H new ATOM 0 HB THR A 62 -11.501 21.262 9.703 1.00 63.04 H new ATOM 0 HG1 THR A 62 -9.390 22.218 10.058 1.00 33.24 H new ATOM 0 HG21 THR A 62 -10.163 20.640 11.680 1.00 73.14 H new ATOM 0 HG22 THR A 62 -11.123 19.268 11.078 1.00 73.14 H new ATOM 0 HG23 THR A 62 -9.378 19.350 10.738 1.00 73.14 H new ATOM 928 N THR A 63 -13.025 20.130 7.618 1.00 70.43 N ATOM 929 CA THR A 63 -14.056 20.664 6.738 1.00 75.25 C ATOM 930 C THR A 63 -14.637 21.959 7.293 1.00 1.13 C ATOM 931 O THR A 63 -14.386 22.321 8.443 1.00 42.41 O ATOM 932 CB THR A 63 -15.198 19.651 6.530 1.00 20.51 C ATOM 933 OG1 THR A 63 -14.776 18.346 6.944 1.00 53.13 O ATOM 934 CG2 THR A 63 -15.628 19.611 5.072 1.00 52.25 C ATOM 0 H THR A 63 -13.382 19.587 8.404 1.00 70.43 H new ATOM 0 HA THR A 63 -13.579 20.865 5.779 1.00 75.25 H new ATOM 0 HB THR A 63 -16.049 19.967 7.134 1.00 20.51 H new ATOM 0 HG1 THR A 63 -15.161 18.141 7.821 1.00 53.13 H new ATOM 0 HG21 THR A 63 -16.435 18.889 4.950 1.00 52.25 H new ATOM 0 HG22 THR A 63 -15.976 20.598 4.768 1.00 52.25 H new ATOM 0 HG23 THR A 63 -14.782 19.317 4.451 1.00 52.25 H new ATOM 942 N LYS A 64 -15.415 22.654 6.471 1.00 51.13 N ATOM 943 CA LYS A 64 -16.034 23.909 6.880 1.00 41.30 C ATOM 944 C LYS A 64 -16.905 23.709 8.116 1.00 73.23 C ATOM 945 O LYS A 64 -17.127 24.641 8.888 1.00 13.33 O ATOM 946 CB LYS A 64 -16.875 24.484 5.738 1.00 62.55 C ATOM 947 CG LYS A 64 -16.135 24.554 4.413 1.00 25.21 C ATOM 948 CD LYS A 64 -14.849 25.356 4.535 1.00 74.55 C ATOM 949 CE LYS A 64 -13.623 24.469 4.382 1.00 60.00 C ATOM 950 NZ LYS A 64 -12.358 25.248 4.491 1.00 35.11 N ATOM 0 H LYS A 64 -15.632 22.369 5.516 1.00 51.13 H new ATOM 0 HA LYS A 64 -15.239 24.613 7.127 1.00 41.30 H new ATOM 0 HB2 LYS A 64 -17.769 23.873 5.613 1.00 62.55 H new ATOM 0 HB3 LYS A 64 -17.208 25.485 6.012 1.00 62.55 H new ATOM 0 HG2 LYS A 64 -15.905 23.545 4.070 1.00 25.21 H new ATOM 0 HG3 LYS A 64 -16.778 25.008 3.659 1.00 25.21 H new ATOM 0 HD2 LYS A 64 -14.832 26.136 3.774 1.00 74.55 H new ATOM 0 HD3 LYS A 64 -14.820 25.855 5.504 1.00 74.55 H new ATOM 0 HE2 LYS A 64 -13.639 23.693 5.147 1.00 60.00 H new ATOM 0 HE3 LYS A 64 -13.657 23.965 3.416 1.00 60.00 H new ATOM 0 HZ1 LYS A 64 -11.548 24.621 4.314 1.00 35.11 H new ATOM 0 HZ2 LYS A 64 -12.361 26.016 3.789 1.00 35.11 H new ATOM 0 HZ3 LYS A 64 -12.281 25.652 5.446 1.00 35.11 H new ATOM 964 N ASP A 65 -17.395 22.487 8.297 1.00 51.34 N ATOM 965 CA ASP A 65 -18.240 22.164 9.440 1.00 31.03 C ATOM 966 C ASP A 65 -17.394 21.782 10.651 1.00 63.14 C ATOM 967 O ASP A 65 -17.846 21.874 11.791 1.00 3.40 O ATOM 968 CB ASP A 65 -19.195 21.022 9.089 1.00 12.12 C ATOM 969 CG ASP A 65 -20.613 21.290 9.554 1.00 72.23 C ATOM 970 OD1 ASP A 65 -21.362 21.965 8.816 1.00 31.41 O ATOM 971 OD2 ASP A 65 -20.975 20.824 10.654 1.00 25.13 O ATOM 0 H ASP A 65 -17.221 21.704 7.667 1.00 51.34 H new ATOM 0 HA ASP A 65 -18.823 23.050 9.691 1.00 31.03 H new ATOM 0 HB2 ASP A 65 -19.192 20.869 8.010 1.00 12.12 H new ATOM 0 HB3 ASP A 65 -18.835 20.099 9.543 1.00 12.12 H new ATOM 976 N GLY A 66 -16.162 21.351 10.393 1.00 35.32 N ATOM 977 CA GLY A 66 -15.273 20.960 11.471 1.00 20.22 C ATOM 978 C GLY A 66 -14.392 19.784 11.098 1.00 30.13 C ATOM 979 O GLY A 66 -13.442 19.929 10.328 1.00 2.05 O ATOM 0 H GLY A 66 -15.765 21.266 9.457 1.00 35.32 H new ATOM 0 HA2 GLY A 66 -14.645 21.808 11.746 1.00 20.22 H new ATOM 0 HA3 GLY A 66 -15.864 20.703 12.350 1.00 20.22 H new ATOM 983 N THR A 67 -14.706 18.614 11.646 1.00 22.04 N ATOM 984 CA THR A 67 -13.934 17.409 11.370 1.00 74.15 C ATOM 985 C THR A 67 -13.874 17.126 9.873 1.00 53.22 C ATOM 986 O THR A 67 -14.903 17.064 9.201 1.00 11.21 O ATOM 987 CB THR A 67 -14.530 16.183 12.088 1.00 5.44 C ATOM 988 OG1 THR A 67 -15.950 16.155 11.913 1.00 74.30 O ATOM 989 CG2 THR A 67 -14.197 16.212 13.573 1.00 52.44 C ATOM 0 H THR A 67 -15.490 18.476 12.284 1.00 22.04 H new ATOM 0 HA THR A 67 -12.926 17.587 11.745 1.00 74.15 H new ATOM 0 HB THR A 67 -14.093 15.285 11.651 1.00 5.44 H new ATOM 0 HG1 THR A 67 -16.172 16.414 10.994 1.00 74.30 H new ATOM 0 HG21 THR A 67 -14.628 15.337 14.060 1.00 52.44 H new ATOM 0 HG22 THR A 67 -13.115 16.204 13.703 1.00 52.44 H new ATOM 0 HG23 THR A 67 -14.610 17.116 14.021 1.00 52.44 H new ATOM 997 N GLY A 68 -12.661 16.955 9.356 1.00 74.24 N ATOM 998 CA GLY A 68 -12.490 16.680 7.941 1.00 72.01 C ATOM 999 C GLY A 68 -11.657 15.439 7.688 1.00 2.40 C ATOM 1000 O GLY A 68 -11.128 15.252 6.592 1.00 44.10 O ATOM 0 H GLY A 68 -11.794 17.002 9.891 1.00 74.24 H new ATOM 0 HA2 GLY A 68 -13.469 16.558 7.477 1.00 72.01 H new ATOM 0 HA3 GLY A 68 -12.015 17.536 7.462 1.00 72.01 H new ATOM 1004 N ILE A 69 -11.538 14.591 8.704 1.00 40.22 N ATOM 1005 CA ILE A 69 -10.762 13.363 8.586 1.00 72.21 C ATOM 1006 C ILE A 69 -11.633 12.207 8.104 1.00 44.10 C ATOM 1007 O ILE A 69 -12.657 11.894 8.709 1.00 23.12 O ATOM 1008 CB ILE A 69 -10.112 12.976 9.928 1.00 53.44 C ATOM 1009 CG1 ILE A 69 -9.180 14.091 10.407 1.00 31.13 C ATOM 1010 CG2 ILE A 69 -9.353 11.666 9.790 1.00 25.50 C ATOM 1011 CD1 ILE A 69 -9.613 14.721 11.713 1.00 70.24 C ATOM 0 H ILE A 69 -11.969 14.732 9.618 1.00 40.22 H new ATOM 0 HA ILE A 69 -9.978 13.555 7.854 1.00 72.21 H new ATOM 0 HB ILE A 69 -10.898 12.841 10.671 1.00 53.44 H new ATOM 0 HG12 ILE A 69 -8.174 13.688 10.523 1.00 31.13 H new ATOM 0 HG13 ILE A 69 -9.127 14.864 9.640 1.00 31.13 H new ATOM 0 HG21 ILE A 69 -8.899 11.406 10.746 1.00 25.50 H new ATOM 0 HG22 ILE A 69 -10.041 10.877 9.488 1.00 25.50 H new ATOM 0 HG23 ILE A 69 -8.573 11.775 9.036 1.00 25.50 H new ATOM 0 HD11 ILE A 69 -8.906 15.503 11.992 1.00 70.24 H new ATOM 0 HD12 ILE A 69 -10.606 15.154 11.596 1.00 70.24 H new ATOM 0 HD13 ILE A 69 -9.639 13.960 12.493 1.00 70.24 H new ATOM 1023 N ASN A 70 -11.216 11.576 7.011 1.00 32.41 N ATOM 1024 CA ASN A 70 -11.957 10.453 6.448 1.00 32.21 C ATOM 1025 C ASN A 70 -11.233 9.136 6.712 1.00 51.01 C ATOM 1026 O ASN A 70 -10.034 9.103 6.989 1.00 11.02 O ATOM 1027 CB ASN A 70 -12.153 10.647 4.943 1.00 11.42 C ATOM 1028 CG ASN A 70 -13.383 11.475 4.622 1.00 22.24 C ATOM 1029 OD1 ASN A 70 -14.037 12.008 5.519 1.00 42.23 O ATOM 1030 ND2 ASN A 70 -13.703 11.585 3.338 1.00 11.04 N ATOM 0 H ASN A 70 -10.370 11.823 6.498 1.00 32.41 H new ATOM 0 HA ASN A 70 -12.933 10.415 6.933 1.00 32.21 H new ATOM 0 HB2 ASN A 70 -11.272 11.133 4.524 1.00 11.42 H new ATOM 0 HB3 ASN A 70 -12.239 9.673 4.462 1.00 11.42 H new ATOM 0 HD21 ASN A 70 -14.520 12.129 3.061 1.00 11.04 H new ATOM 0 HD22 ASN A 70 -13.132 11.126 2.629 1.00 11.04 H new ATOM 1037 N PRO A 71 -11.977 8.024 6.623 1.00 32.44 N ATOM 1038 CA PRO A 71 -11.427 6.683 6.848 1.00 52.42 C ATOM 1039 C PRO A 71 -10.476 6.253 5.736 1.00 13.50 C ATOM 1040 O PRO A 71 -9.371 5.781 6.000 1.00 71.11 O ATOM 1041 CB PRO A 71 -12.669 5.789 6.865 1.00 71.40 C ATOM 1042 CG PRO A 71 -13.680 6.528 6.058 1.00 21.11 C ATOM 1043 CD PRO A 71 -13.413 7.988 6.297 1.00 43.31 C ATOM 0 HA PRO A 71 -10.836 6.632 7.763 1.00 52.42 H new ATOM 0 HB2 PRO A 71 -12.458 4.810 6.435 1.00 71.40 H new ATOM 0 HB3 PRO A 71 -13.021 5.620 7.883 1.00 71.40 H new ATOM 0 HG2 PRO A 71 -13.590 6.283 5.000 1.00 21.11 H new ATOM 0 HG3 PRO A 71 -14.692 6.262 6.362 1.00 21.11 H new ATOM 0 HD2 PRO A 71 -13.640 8.587 5.415 1.00 43.31 H new ATOM 0 HD3 PRO A 71 -14.020 8.379 7.113 1.00 43.31 H new ATOM 1051 N ALA A 72 -10.913 6.421 4.492 1.00 33.11 N ATOM 1052 CA ALA A 72 -10.099 6.052 3.340 1.00 15.44 C ATOM 1053 C ALA A 72 -9.702 7.283 2.533 1.00 44.21 C ATOM 1054 O ALA A 72 -8.681 7.282 1.845 1.00 21.45 O ATOM 1055 CB ALA A 72 -10.847 5.061 2.461 1.00 14.12 C ATOM 0 H ALA A 72 -11.826 6.810 4.256 1.00 33.11 H new ATOM 0 HA ALA A 72 -9.187 5.580 3.706 1.00 15.44 H new ATOM 0 HB1 ALA A 72 -10.227 4.794 1.605 1.00 14.12 H new ATOM 0 HB2 ALA A 72 -11.076 4.164 3.037 1.00 14.12 H new ATOM 0 HB3 ALA A 72 -11.775 5.513 2.111 1.00 14.12 H new ATOM 1061 N GLN A 73 -10.514 8.331 2.621 1.00 54.11 N ATOM 1062 CA GLN A 73 -10.247 9.568 1.897 1.00 64.15 C ATOM 1063 C GLN A 73 -10.166 9.313 0.395 1.00 21.20 C ATOM 1064 O GLN A 73 -9.385 9.950 -0.313 1.00 74.13 O ATOM 1065 CB GLN A 73 -8.944 10.200 2.389 1.00 2.41 C ATOM 1066 CG GLN A 73 -8.802 10.201 3.903 1.00 60.14 C ATOM 1067 CD GLN A 73 -8.430 11.563 4.453 1.00 5.25 C ATOM 1068 OE1 GLN A 73 -9.002 12.024 5.442 1.00 63.41 O ATOM 1069 NE2 GLN A 73 -7.466 12.217 3.815 1.00 24.35 N ATOM 0 H GLN A 73 -11.363 8.348 3.187 1.00 54.11 H new ATOM 0 HA GLN A 73 -11.071 10.256 2.087 1.00 64.15 H new ATOM 0 HB2 GLN A 73 -8.102 9.662 1.954 1.00 2.41 H new ATOM 0 HB3 GLN A 73 -8.888 11.226 2.026 1.00 2.41 H new ATOM 0 HG2 GLN A 73 -9.740 9.876 4.352 1.00 60.14 H new ATOM 0 HG3 GLN A 73 -8.042 9.476 4.193 1.00 60.14 H new ATOM 0 HE21 GLN A 73 -7.019 11.798 3.000 1.00 24.35 H new ATOM 0 HE22 GLN A 73 -7.173 13.138 4.140 1.00 24.35 H new ATOM 1078 N THR A 74 -10.978 8.376 -0.086 1.00 3.13 N ATOM 1079 CA THR A 74 -10.997 8.035 -1.503 1.00 12.44 C ATOM 1080 C THR A 74 -11.713 9.108 -2.316 1.00 60.41 C ATOM 1081 O THR A 74 -12.451 9.926 -1.769 1.00 33.24 O ATOM 1082 CB THR A 74 -11.685 6.679 -1.745 1.00 32.43 C ATOM 1083 OG1 THR A 74 -11.419 5.793 -0.652 1.00 33.43 O ATOM 1084 CG2 THR A 74 -11.201 6.050 -3.043 1.00 1.42 C ATOM 0 H THR A 74 -11.631 7.840 0.485 1.00 3.13 H new ATOM 0 HA THR A 74 -9.958 7.970 -1.827 1.00 12.44 H new ATOM 0 HB THR A 74 -12.759 6.850 -1.821 1.00 32.43 H new ATOM 0 HG1 THR A 74 -11.861 4.933 -0.813 1.00 33.43 H new ATOM 0 HG21 THR A 74 -11.701 5.093 -3.192 1.00 1.42 H new ATOM 0 HG22 THR A 74 -11.431 6.713 -3.877 1.00 1.42 H new ATOM 0 HG23 THR A 74 -10.124 5.892 -2.991 1.00 1.42 H new ATOM 1092 N ALA A 75 -11.490 9.097 -3.626 1.00 51.12 N ATOM 1093 CA ALA A 75 -12.116 10.067 -4.515 1.00 54.45 C ATOM 1094 C ALA A 75 -13.636 9.948 -4.475 1.00 12.21 C ATOM 1095 O ALA A 75 -14.344 10.948 -4.366 1.00 13.31 O ATOM 1096 CB ALA A 75 -11.609 9.884 -5.938 1.00 5.40 C ATOM 0 H ALA A 75 -10.880 8.427 -4.095 1.00 51.12 H new ATOM 0 HA ALA A 75 -11.846 11.065 -4.170 1.00 54.45 H new ATOM 0 HB1 ALA A 75 -12.085 10.615 -6.591 1.00 5.40 H new ATOM 0 HB2 ALA A 75 -10.529 10.027 -5.961 1.00 5.40 H new ATOM 0 HB3 ALA A 75 -11.849 8.879 -6.283 1.00 5.40 H new ATOM 1102 N GLY A 76 -14.131 8.717 -4.564 1.00 54.42 N ATOM 1103 CA GLY A 76 -15.565 8.491 -4.537 1.00 24.33 C ATOM 1104 C GLY A 76 -16.179 8.826 -3.192 1.00 22.50 C ATOM 1105 O GLY A 76 -17.285 9.359 -3.123 1.00 51.12 O ATOM 0 H GLY A 76 -13.565 7.873 -4.654 1.00 54.42 H new ATOM 0 HA2 GLY A 76 -16.040 9.095 -5.310 1.00 24.33 H new ATOM 0 HA3 GLY A 76 -15.770 7.448 -4.777 1.00 24.33 H new ATOM 1109 N ASN A 77 -15.460 8.510 -2.120 1.00 21.24 N ATOM 1110 CA ASN A 77 -15.942 8.779 -0.770 1.00 32.42 C ATOM 1111 C ASN A 77 -15.900 10.273 -0.465 1.00 35.23 C ATOM 1112 O ASN A 77 -16.930 10.891 -0.195 1.00 11.42 O ATOM 1113 CB ASN A 77 -15.103 8.014 0.256 1.00 72.42 C ATOM 1114 CG ASN A 77 -15.897 6.930 0.959 1.00 20.32 C ATOM 1115 OD1 ASN A 77 -16.098 6.981 2.173 1.00 74.33 O ATOM 1116 ND2 ASN A 77 -16.352 5.941 0.198 1.00 42.20 N ATOM 0 H ASN A 77 -14.542 8.068 -2.160 1.00 21.24 H new ATOM 0 HA ASN A 77 -16.977 8.442 -0.707 1.00 32.42 H new ATOM 0 HB2 ASN A 77 -14.244 7.566 -0.243 1.00 72.42 H new ATOM 0 HB3 ASN A 77 -14.713 8.713 0.996 1.00 72.42 H new ATOM 0 HD21 ASN A 77 -16.892 5.183 0.616 1.00 42.20 H new ATOM 0 HD22 ASN A 77 -16.161 5.939 -0.804 1.00 42.20 H new ATOM 1123 N VAL A 78 -14.703 10.847 -0.510 1.00 44.31 N ATOM 1124 CA VAL A 78 -14.526 12.269 -0.240 1.00 41.24 C ATOM 1125 C VAL A 78 -15.479 13.111 -1.081 1.00 73.35 C ATOM 1126 O VAL A 78 -16.045 14.093 -0.602 1.00 15.13 O ATOM 1127 CB VAL A 78 -13.079 12.718 -0.520 1.00 54.12 C ATOM 1128 CG1 VAL A 78 -12.920 14.207 -0.250 1.00 73.52 C ATOM 1129 CG2 VAL A 78 -12.100 11.909 0.316 1.00 64.53 C ATOM 0 H VAL A 78 -13.841 10.349 -0.731 1.00 44.31 H new ATOM 0 HA VAL A 78 -14.748 12.420 0.816 1.00 41.24 H new ATOM 0 HB VAL A 78 -12.858 12.539 -1.572 1.00 54.12 H new ATOM 0 HG11 VAL A 78 -11.892 14.506 -0.453 1.00 73.52 H new ATOM 0 HG12 VAL A 78 -13.595 14.768 -0.896 1.00 73.52 H new ATOM 0 HG13 VAL A 78 -13.159 14.415 0.793 1.00 73.52 H new ATOM 0 HG21 VAL A 78 -11.083 12.239 0.106 1.00 64.53 H new ATOM 0 HG22 VAL A 78 -12.318 12.055 1.374 1.00 64.53 H new ATOM 0 HG23 VAL A 78 -12.197 10.852 0.068 1.00 64.53 H new ATOM 1139 N PHE A 79 -15.653 12.719 -2.339 1.00 61.33 N ATOM 1140 CA PHE A 79 -16.538 13.437 -3.249 1.00 1.13 C ATOM 1141 C PHE A 79 -17.937 13.569 -2.655 1.00 34.11 C ATOM 1142 O PHE A 79 -18.630 14.560 -2.884 1.00 44.14 O ATOM 1143 CB PHE A 79 -16.610 12.719 -4.598 1.00 3.01 C ATOM 1144 CG PHE A 79 -17.645 13.288 -5.526 1.00 1.14 C ATOM 1145 CD1 PHE A 79 -17.474 14.542 -6.090 1.00 61.44 C ATOM 1146 CD2 PHE A 79 -18.789 12.570 -5.832 1.00 73.43 C ATOM 1147 CE1 PHE A 79 -18.424 15.068 -6.945 1.00 13.22 C ATOM 1148 CE2 PHE A 79 -19.743 13.091 -6.686 1.00 62.22 C ATOM 1149 CZ PHE A 79 -19.561 14.342 -7.242 1.00 42.02 C ATOM 0 H PHE A 79 -15.193 11.908 -2.752 1.00 61.33 H new ATOM 0 HA PHE A 79 -16.130 14.437 -3.399 1.00 1.13 H new ATOM 0 HB2 PHE A 79 -15.634 12.770 -5.080 1.00 3.01 H new ATOM 0 HB3 PHE A 79 -16.827 11.664 -4.428 1.00 3.01 H new ATOM 0 HD1 PHE A 79 -16.588 15.115 -5.859 1.00 61.44 H new ATOM 0 HD2 PHE A 79 -18.937 11.592 -5.399 1.00 73.43 H new ATOM 0 HE1 PHE A 79 -18.278 16.045 -7.380 1.00 13.22 H new ATOM 0 HE2 PHE A 79 -20.630 12.520 -6.918 1.00 62.22 H new ATOM 0 HZ PHE A 79 -20.306 14.752 -7.908 1.00 42.02 H new ATOM 1159 N MET A 80 -18.347 12.561 -1.891 1.00 4.42 N ATOM 1160 CA MET A 80 -19.663 12.564 -1.263 1.00 40.53 C ATOM 1161 C MET A 80 -19.581 13.081 0.169 1.00 0.55 C ATOM 1162 O MET A 80 -20.577 13.530 0.737 1.00 54.44 O ATOM 1163 CB MET A 80 -20.261 11.156 -1.276 1.00 51.43 C ATOM 1164 CG MET A 80 -21.094 10.861 -2.513 1.00 52.50 C ATOM 1165 SD MET A 80 -22.673 10.086 -2.118 1.00 15.30 S ATOM 1166 CE MET A 80 -23.512 10.202 -3.697 1.00 1.55 C ATOM 0 H MET A 80 -17.787 11.732 -1.692 1.00 4.42 H new ATOM 0 HA MET A 80 -20.309 13.231 -1.834 1.00 40.53 H new ATOM 0 HB2 MET A 80 -19.454 10.427 -1.209 1.00 51.43 H new ATOM 0 HB3 MET A 80 -20.882 11.026 -0.390 1.00 51.43 H new ATOM 0 HG2 MET A 80 -21.275 11.790 -3.054 1.00 52.50 H new ATOM 0 HG3 MET A 80 -20.530 10.208 -3.179 1.00 52.50 H new ATOM 0 HE1 MET A 80 -24.506 9.763 -3.614 1.00 1.55 H new ATOM 0 HE2 MET A 80 -23.601 11.249 -3.986 1.00 1.55 H new ATOM 0 HE3 MET A 80 -22.940 9.664 -4.453 1.00 1.55 H new ATOM 1176 N LYS A 81 -18.388 13.015 0.750 1.00 3.32 N ATOM 1177 CA LYS A 81 -18.175 13.477 2.117 1.00 44.44 C ATOM 1178 C LYS A 81 -18.093 15.000 2.170 1.00 75.42 C ATOM 1179 O LYS A 81 -18.866 15.648 2.876 1.00 32.31 O ATOM 1180 CB LYS A 81 -16.893 12.867 2.689 1.00 11.51 C ATOM 1181 CG LYS A 81 -16.728 13.090 4.182 1.00 2.24 C ATOM 1182 CD LYS A 81 -17.315 11.942 4.986 1.00 64.32 C ATOM 1183 CE LYS A 81 -16.506 10.666 4.808 1.00 45.24 C ATOM 1184 NZ LYS A 81 -17.378 9.462 4.735 1.00 61.50 N ATOM 0 H LYS A 81 -17.553 12.646 0.295 1.00 3.32 H new ATOM 0 HA LYS A 81 -19.024 13.155 2.720 1.00 44.44 H new ATOM 0 HB2 LYS A 81 -16.889 11.796 2.487 1.00 11.51 H new ATOM 0 HB3 LYS A 81 -16.035 13.293 2.169 1.00 11.51 H new ATOM 0 HG2 LYS A 81 -15.670 13.198 4.420 1.00 2.24 H new ATOM 0 HG3 LYS A 81 -17.216 14.022 4.468 1.00 2.24 H new ATOM 0 HD2 LYS A 81 -17.343 12.212 6.042 1.00 64.32 H new ATOM 0 HD3 LYS A 81 -18.345 11.768 4.675 1.00 64.32 H new ATOM 0 HE2 LYS A 81 -15.910 10.738 3.898 1.00 45.24 H new ATOM 0 HE3 LYS A 81 -15.809 10.559 5.639 1.00 45.24 H new ATOM 0 HZ1 LYS A 81 -16.789 8.614 4.614 1.00 61.50 H new ATOM 0 HZ2 LYS A 81 -17.929 9.378 5.613 1.00 61.50 H new ATOM 0 HZ3 LYS A 81 -18.027 9.552 3.927 1.00 61.50 H new ATOM 1198 N TYR A 82 -17.155 15.564 1.418 1.00 21.01 N ATOM 1199 CA TYR A 82 -16.973 17.010 1.381 1.00 42.13 C ATOM 1200 C TYR A 82 -17.164 17.547 -0.035 1.00 21.24 C ATOM 1201 O TYR A 82 -17.549 18.699 -0.227 1.00 50.21 O ATOM 1202 CB TYR A 82 -15.582 17.384 1.896 1.00 20.42 C ATOM 1203 CG TYR A 82 -15.172 16.623 3.137 1.00 1.53 C ATOM 1204 CD1 TYR A 82 -13.942 15.981 3.207 1.00 4.45 C ATOM 1205 CD2 TYR A 82 -16.015 16.546 4.239 1.00 2.30 C ATOM 1206 CE1 TYR A 82 -13.563 15.285 4.339 1.00 42.11 C ATOM 1207 CE2 TYR A 82 -15.644 15.854 5.375 1.00 23.41 C ATOM 1208 CZ TYR A 82 -14.417 15.224 5.420 1.00 10.52 C ATOM 1209 OH TYR A 82 -14.044 14.532 6.550 1.00 54.25 O ATOM 0 H TYR A 82 -16.509 15.042 0.826 1.00 21.01 H new ATOM 0 HA TYR A 82 -17.726 17.462 2.027 1.00 42.13 H new ATOM 0 HB2 TYR A 82 -14.851 17.200 1.109 1.00 20.42 H new ATOM 0 HB3 TYR A 82 -15.558 18.452 2.110 1.00 20.42 H new ATOM 0 HD1 TYR A 82 -13.271 16.027 2.362 1.00 4.45 H new ATOM 0 HD2 TYR A 82 -16.977 17.036 4.206 1.00 2.30 H new ATOM 0 HE1 TYR A 82 -12.603 14.791 4.377 1.00 42.11 H new ATOM 0 HE2 TYR A 82 -16.310 15.806 6.224 1.00 23.41 H new ATOM 0 HH TYR A 82 -13.962 13.579 6.338 1.00 54.25 H new ATOM 1219 N GLY A 83 -16.892 16.700 -1.023 1.00 42.44 N ATOM 1220 CA GLY A 83 -17.040 17.106 -2.409 1.00 3.11 C ATOM 1221 C GLY A 83 -16.315 18.402 -2.714 1.00 65.32 C ATOM 1222 O GLY A 83 -16.937 19.458 -2.817 1.00 43.44 O ATOM 0 H GLY A 83 -16.572 15.741 -0.889 1.00 42.44 H new ATOM 0 HA2 GLY A 83 -16.658 16.318 -3.058 1.00 3.11 H new ATOM 0 HA3 GLY A 83 -18.099 17.223 -2.639 1.00 3.11 H new ATOM 1226 N GLN A 84 -14.996 18.320 -2.857 1.00 43.34 N ATOM 1227 CA GLN A 84 -14.186 19.497 -3.150 1.00 65.32 C ATOM 1228 C GLN A 84 -14.477 20.619 -2.159 1.00 24.42 C ATOM 1229 O GLN A 84 -14.669 21.769 -2.549 1.00 50.43 O ATOM 1230 CB GLN A 84 -14.448 19.980 -4.577 1.00 50.54 C ATOM 1231 CG GLN A 84 -14.015 18.989 -5.645 1.00 72.22 C ATOM 1232 CD GLN A 84 -14.917 19.012 -6.863 1.00 51.35 C ATOM 1233 OE1 GLN A 84 -15.462 17.984 -7.267 1.00 44.20 O ATOM 1234 NE2 GLN A 84 -15.080 20.189 -7.457 1.00 34.11 N ATOM 0 H GLN A 84 -14.466 17.452 -2.775 1.00 43.34 H new ATOM 0 HA GLN A 84 -13.137 19.217 -3.056 1.00 65.32 H new ATOM 0 HB2 GLN A 84 -15.512 20.184 -4.693 1.00 50.54 H new ATOM 0 HB3 GLN A 84 -13.924 20.923 -4.734 1.00 50.54 H new ATOM 0 HG2 GLN A 84 -12.993 19.213 -5.950 1.00 72.22 H new ATOM 0 HG3 GLN A 84 -14.008 17.985 -5.222 1.00 72.22 H new ATOM 0 HE21 GLN A 84 -14.609 21.016 -7.089 1.00 34.11 H new ATOM 0 HE22 GLN A 84 -15.676 20.266 -8.281 1.00 34.11 H new ATOM 1243 N GLU A 85 -14.507 20.274 -0.875 1.00 53.22 N ATOM 1244 CA GLU A 85 -14.776 21.253 0.171 1.00 14.24 C ATOM 1245 C GLU A 85 -14.058 20.878 1.465 1.00 53.43 C ATOM 1246 O GLU A 85 -14.689 20.698 2.507 1.00 64.21 O ATOM 1247 CB GLU A 85 -16.282 21.362 0.424 1.00 5.11 C ATOM 1248 CG GLU A 85 -16.677 22.592 1.223 1.00 12.42 C ATOM 1249 CD GLU A 85 -18.009 22.427 1.928 1.00 33.53 C ATOM 1250 OE1 GLU A 85 -19.016 22.973 1.430 1.00 62.54 O ATOM 1251 OE2 GLU A 85 -18.046 21.752 2.978 1.00 24.42 O ATOM 0 H GLU A 85 -14.349 19.325 -0.535 1.00 53.22 H new ATOM 0 HA GLU A 85 -14.401 22.219 -0.166 1.00 14.24 H new ATOM 0 HB2 GLU A 85 -16.803 21.378 -0.534 1.00 5.11 H new ATOM 0 HB3 GLU A 85 -16.618 20.471 0.954 1.00 5.11 H new ATOM 0 HG2 GLU A 85 -15.904 22.805 1.961 1.00 12.42 H new ATOM 0 HG3 GLU A 85 -16.727 23.453 0.556 1.00 12.42 H new ATOM 1258 N ILE A 86 -12.737 20.763 1.388 1.00 22.15 N ATOM 1259 CA ILE A 86 -11.933 20.410 2.552 1.00 0.21 C ATOM 1260 C ILE A 86 -10.603 21.156 2.548 1.00 63.33 C ATOM 1261 O ILE A 86 -10.017 21.395 1.492 1.00 61.44 O ATOM 1262 CB ILE A 86 -11.660 18.896 2.610 1.00 63.45 C ATOM 1263 CG1 ILE A 86 -10.866 18.546 3.870 1.00 63.01 C ATOM 1264 CG2 ILE A 86 -10.912 18.445 1.364 1.00 62.23 C ATOM 1265 CD1 ILE A 86 -10.571 17.069 4.008 1.00 70.31 C ATOM 0 H ILE A 86 -12.201 20.909 0.533 1.00 22.15 H new ATOM 0 HA ILE A 86 -12.507 20.701 3.432 1.00 0.21 H new ATOM 0 HB ILE A 86 -12.615 18.371 2.648 1.00 63.45 H new ATOM 0 HG12 ILE A 86 -9.925 19.097 3.861 1.00 63.01 H new ATOM 0 HG13 ILE A 86 -11.423 18.880 4.745 1.00 63.01 H new ATOM 0 HG21 ILE A 86 -10.726 17.372 1.419 1.00 62.23 H new ATOM 0 HG22 ILE A 86 -11.511 18.664 0.480 1.00 62.23 H new ATOM 0 HG23 ILE A 86 -9.962 18.975 1.298 1.00 62.23 H new ATOM 0 HD11 ILE A 86 -10.006 16.895 4.924 1.00 70.31 H new ATOM 0 HD12 ILE A 86 -11.508 16.513 4.049 1.00 70.31 H new ATOM 0 HD13 ILE A 86 -9.987 16.733 3.151 1.00 70.31 H new ATOM 1277 N ARG A 87 -10.130 21.519 3.736 1.00 54.14 N ATOM 1278 CA ARG A 87 -8.868 22.237 3.869 1.00 35.10 C ATOM 1279 C ARG A 87 -7.807 21.354 4.519 1.00 0.20 C ATOM 1280 O ARG A 87 -8.115 20.517 5.369 1.00 52.52 O ATOM 1281 CB ARG A 87 -9.066 23.509 4.696 1.00 64.21 C ATOM 1282 CG ARG A 87 -8.774 24.787 3.926 1.00 34.24 C ATOM 1283 CD ARG A 87 -9.616 24.881 2.663 1.00 31.44 C ATOM 1284 NE ARG A 87 -10.124 26.232 2.443 1.00 10.13 N ATOM 1285 CZ ARG A 87 -11.084 26.524 1.573 1.00 61.34 C ATOM 1286 NH1 ARG A 87 -11.637 25.564 0.845 1.00 71.45 N ATOM 1287 NH2 ARG A 87 -11.493 27.778 1.429 1.00 24.12 N ATOM 0 H ARG A 87 -10.602 21.328 4.620 1.00 54.14 H new ATOM 0 HA ARG A 87 -8.526 22.511 2.871 1.00 35.10 H new ATOM 0 HB2 ARG A 87 -10.093 23.540 5.059 1.00 64.21 H new ATOM 0 HB3 ARG A 87 -8.419 23.467 5.572 1.00 64.21 H new ATOM 0 HG2 ARG A 87 -8.972 25.650 4.562 1.00 34.24 H new ATOM 0 HG3 ARG A 87 -7.717 24.821 3.663 1.00 34.24 H new ATOM 0 HD2 ARG A 87 -9.018 24.575 1.805 1.00 31.44 H new ATOM 0 HD3 ARG A 87 -10.453 24.186 2.733 1.00 31.44 H new ATOM 0 HE ARG A 87 -9.719 26.994 2.988 1.00 10.13 H new ATOM 0 HH11 ARG A 87 -11.325 24.599 0.952 1.00 71.45 H new ATOM 0 HH12 ARG A 87 -12.374 25.791 0.177 1.00 71.45 H new ATOM 0 HH21 ARG A 87 -11.070 28.520 1.987 1.00 24.12 H new ATOM 0 HH22 ARG A 87 -12.230 28.000 0.760 1.00 24.12 H new ATOM 1301 N LEU A 88 -6.557 21.546 4.114 1.00 45.02 N ATOM 1302 CA LEU A 88 -5.449 20.767 4.656 1.00 5.21 C ATOM 1303 C LEU A 88 -4.866 21.439 5.895 1.00 0.04 C ATOM 1304 O LEU A 88 -4.350 22.555 5.824 1.00 63.32 O ATOM 1305 CB LEU A 88 -4.358 20.590 3.598 1.00 31.31 C ATOM 1306 CG LEU A 88 -4.503 19.374 2.682 1.00 30.24 C ATOM 1307 CD1 LEU A 88 -3.393 19.353 1.643 1.00 50.00 C ATOM 1308 CD2 LEU A 88 -4.497 18.089 3.497 1.00 32.33 C ATOM 0 H LEU A 88 -6.285 22.234 3.412 1.00 45.02 H new ATOM 0 HA LEU A 88 -5.832 19.787 4.942 1.00 5.21 H new ATOM 0 HB2 LEU A 88 -4.332 21.486 2.978 1.00 31.31 H new ATOM 0 HB3 LEU A 88 -3.395 20.525 4.105 1.00 31.31 H new ATOM 0 HG LEU A 88 -5.458 19.447 2.162 1.00 30.24 H new ATOM 0 HD11 LEU A 88 -3.513 18.481 1.000 1.00 50.00 H new ATOM 0 HD12 LEU A 88 -3.443 20.259 1.039 1.00 50.00 H new ATOM 0 HD13 LEU A 88 -2.426 19.304 2.144 1.00 50.00 H new ATOM 0 HD21 LEU A 88 -4.601 17.234 2.829 1.00 32.33 H new ATOM 0 HD22 LEU A 88 -3.558 18.010 4.044 1.00 32.33 H new ATOM 0 HD23 LEU A 88 -5.328 18.102 4.202 1.00 32.33 H new ATOM 1320 N ILE A 89 -4.951 20.752 7.030 1.00 63.15 N ATOM 1321 CA ILE A 89 -4.429 21.281 8.283 1.00 21.15 C ATOM 1322 C ILE A 89 -3.430 20.317 8.914 1.00 63.45 C ATOM 1323 O ILE A 89 -3.677 19.116 9.032 1.00 53.43 O ATOM 1324 CB ILE A 89 -5.560 21.561 9.290 1.00 31.15 C ATOM 1325 CG1 ILE A 89 -4.997 22.215 10.554 1.00 54.32 C ATOM 1326 CG2 ILE A 89 -6.292 20.273 9.636 1.00 75.12 C ATOM 1327 CD1 ILE A 89 -6.043 22.481 11.614 1.00 54.33 C ATOM 0 H ILE A 89 -5.376 19.828 7.107 1.00 63.15 H new ATOM 0 HA ILE A 89 -3.925 22.218 8.044 1.00 21.15 H new ATOM 0 HB ILE A 89 -6.271 22.249 8.833 1.00 31.15 H new ATOM 0 HG12 ILE A 89 -4.223 21.572 10.972 1.00 54.32 H new ATOM 0 HG13 ILE A 89 -4.518 23.156 10.284 1.00 54.32 H new ATOM 0 HG21 ILE A 89 -7.088 20.487 10.349 1.00 75.12 H new ATOM 0 HG22 ILE A 89 -6.721 19.844 8.731 1.00 75.12 H new ATOM 0 HG23 ILE A 89 -5.592 19.564 10.077 1.00 75.12 H new ATOM 0 HD11 ILE A 89 -5.573 22.945 12.481 1.00 54.33 H new ATOM 0 HD12 ILE A 89 -6.805 23.149 11.213 1.00 54.33 H new ATOM 0 HD13 ILE A 89 -6.506 21.540 11.913 1.00 54.33 H new ATOM 1339 N PRO A 90 -2.273 20.852 9.330 1.00 3.23 N ATOM 1340 CA PRO A 90 -1.213 20.057 9.958 1.00 11.11 C ATOM 1341 C PRO A 90 -1.602 19.569 11.350 1.00 44.25 C ATOM 1342 O PRO A 90 -1.172 20.131 12.357 1.00 11.40 O ATOM 1343 CB PRO A 90 -0.039 21.035 10.043 1.00 42.31 C ATOM 1344 CG PRO A 90 -0.670 22.384 10.065 1.00 13.41 C ATOM 1345 CD PRO A 90 -1.910 22.275 9.221 1.00 10.22 C ATOM 0 HA PRO A 90 -0.992 19.153 9.391 1.00 11.11 H new ATOM 0 HB2 PRO A 90 0.556 20.862 10.940 1.00 42.31 H new ATOM 0 HB3 PRO A 90 0.630 20.925 9.190 1.00 42.31 H new ATOM 0 HG2 PRO A 90 -0.916 22.683 11.084 1.00 13.41 H new ATOM 0 HG3 PRO A 90 0.008 23.139 9.667 1.00 13.41 H new ATOM 0 HD2 PRO A 90 -2.706 22.922 9.590 1.00 10.22 H new ATOM 0 HD3 PRO A 90 -1.719 22.563 8.187 1.00 10.22 H new ATOM 1353 N ARG A 91 -2.416 18.520 11.398 1.00 40.13 N ATOM 1354 CA ARG A 91 -2.863 17.957 12.666 1.00 3.32 C ATOM 1355 C ARG A 91 -2.222 16.594 12.912 1.00 0.40 C ATOM 1356 O ARG A 91 -1.739 15.948 11.982 1.00 31.44 O ATOM 1357 CB ARG A 91 -4.387 17.827 12.682 1.00 22.51 C ATOM 1358 CG ARG A 91 -5.056 18.638 13.779 1.00 33.01 C ATOM 1359 CD ARG A 91 -6.428 18.081 14.125 1.00 14.33 C ATOM 1360 NE ARG A 91 -7.028 18.772 15.264 1.00 23.43 N ATOM 1361 CZ ARG A 91 -6.606 18.628 16.516 1.00 43.04 C ATOM 1362 NH1 ARG A 91 -5.587 17.824 16.787 1.00 33.21 N ATOM 1363 NH2 ARG A 91 -7.203 19.290 17.498 1.00 4.34 N ATOM 0 H ARG A 91 -2.780 18.043 10.573 1.00 40.13 H new ATOM 0 HA ARG A 91 -2.555 18.633 13.464 1.00 3.32 H new ATOM 0 HB2 ARG A 91 -4.780 18.144 11.716 1.00 22.51 H new ATOM 0 HB3 ARG A 91 -4.652 16.777 12.805 1.00 22.51 H new ATOM 0 HG2 ARG A 91 -4.427 18.637 14.669 1.00 33.01 H new ATOM 0 HG3 ARG A 91 -5.153 19.675 13.458 1.00 33.01 H new ATOM 0 HD2 ARG A 91 -7.085 18.171 13.260 1.00 14.33 H new ATOM 0 HD3 ARG A 91 -6.341 17.018 14.350 1.00 14.33 H new ATOM 0 HE ARG A 91 -7.813 19.399 15.089 1.00 23.43 H new ATOM 0 HH11 ARG A 91 -5.125 17.314 16.034 1.00 33.21 H new ATOM 0 HH12 ARG A 91 -5.265 17.715 17.749 1.00 33.21 H new ATOM 0 HH21 ARG A 91 -7.986 19.910 17.293 1.00 4.34 H new ATOM 0 HH22 ARG A 91 -6.879 19.179 18.459 1.00 4.34 H new ATOM 1377 N ASP A 92 -2.221 16.165 14.169 1.00 11.01 N ATOM 1378 CA ASP A 92 -1.640 14.879 14.537 1.00 14.15 C ATOM 1379 C ASP A 92 -0.141 14.860 14.258 1.00 2.02 C ATOM 1380 O ASP A 92 0.399 13.861 13.783 1.00 44.14 O ATOM 1381 CB ASP A 92 -2.328 13.747 13.773 1.00 35.02 C ATOM 1382 CG ASP A 92 -2.540 12.515 14.630 1.00 22.54 C ATOM 1383 OD1 ASP A 92 -3.600 11.869 14.491 1.00 11.22 O ATOM 1384 OD2 ASP A 92 -1.644 12.195 15.440 1.00 74.32 O ATOM 0 H ASP A 92 -2.616 16.689 14.950 1.00 11.01 H new ATOM 0 HA ASP A 92 -1.794 14.731 15.606 1.00 14.15 H new ATOM 0 HB2 ASP A 92 -3.291 14.097 13.400 1.00 35.02 H new ATOM 0 HB3 ASP A 92 -1.727 13.482 12.903 1.00 35.02 H new ATOM 1389 N ARG A 93 0.526 15.971 14.556 1.00 74.30 N ATOM 1390 CA ARG A 93 1.962 16.082 14.335 1.00 43.22 C ATOM 1391 C ARG A 93 2.582 17.101 15.287 1.00 34.12 C ATOM 1392 O ARG A 93 3.302 16.739 16.218 1.00 73.23 O ATOM 1393 CB ARG A 93 2.247 16.483 12.886 1.00 2.43 C ATOM 1394 CG ARG A 93 3.729 16.563 12.557 1.00 52.44 C ATOM 1395 CD ARG A 93 4.124 15.531 11.512 1.00 34.24 C ATOM 1396 NE ARG A 93 5.573 15.388 11.405 1.00 61.13 N ATOM 1397 CZ ARG A 93 6.365 16.312 10.874 1.00 42.55 C ATOM 1398 NH1 ARG A 93 5.851 17.441 10.405 1.00 71.14 N ATOM 1399 NH2 ARG A 93 7.675 16.109 10.811 1.00 0.41 N ATOM 0 H ARG A 93 0.094 16.806 14.951 1.00 74.30 H new ATOM 0 HA ARG A 93 2.410 15.108 14.531 1.00 43.22 H new ATOM 0 HB2 ARG A 93 1.774 15.763 12.219 1.00 2.43 H new ATOM 0 HB3 ARG A 93 1.787 17.451 12.688 1.00 2.43 H new ATOM 0 HG2 ARG A 93 3.968 17.562 12.192 1.00 52.44 H new ATOM 0 HG3 ARG A 93 4.313 16.406 13.464 1.00 52.44 H new ATOM 0 HD2 ARG A 93 3.683 14.568 11.769 1.00 34.24 H new ATOM 0 HD3 ARG A 93 3.716 15.821 10.544 1.00 34.24 H new ATOM 0 HE ARG A 93 6.000 14.531 11.757 1.00 61.13 H new ATOM 0 HH11 ARG A 93 4.845 17.601 10.452 1.00 71.14 H new ATOM 0 HH12 ARG A 93 6.462 18.149 9.998 1.00 71.14 H new ATOM 0 HH21 ARG A 93 8.075 15.242 11.171 1.00 0.41 H new ATOM 0 HH22 ARG A 93 8.282 16.820 10.403 1.00 0.41 H new ATOM 1413 N VAL A 94 2.296 18.377 15.048 1.00 65.03 N ATOM 1414 CA VAL A 94 2.825 19.448 15.884 1.00 55.31 C ATOM 1415 C VAL A 94 2.370 19.291 17.331 1.00 64.33 C ATOM 1416 O VAL A 94 3.190 19.216 18.245 1.00 62.31 O ATOM 1417 CB VAL A 94 2.386 20.831 15.367 1.00 12.54 C ATOM 1418 CG1 VAL A 94 2.959 21.935 16.244 1.00 53.15 C ATOM 1419 CG2 VAL A 94 2.808 21.017 13.918 1.00 62.12 C ATOM 0 H VAL A 94 1.701 18.694 14.283 1.00 65.03 H new ATOM 0 HA VAL A 94 3.912 19.379 15.838 1.00 55.31 H new ATOM 0 HB VAL A 94 1.299 20.889 15.415 1.00 12.54 H new ATOM 0 HG11 VAL A 94 2.639 22.905 15.864 1.00 53.15 H new ATOM 0 HG12 VAL A 94 2.602 21.810 17.266 1.00 53.15 H new ATOM 0 HG13 VAL A 94 4.048 21.882 16.231 1.00 53.15 H new ATOM 0 HG21 VAL A 94 2.490 21.999 13.570 1.00 62.12 H new ATOM 0 HG22 VAL A 94 3.893 20.939 13.842 1.00 62.12 H new ATOM 0 HG23 VAL A 94 2.345 20.246 13.302 1.00 62.12 H new ATOM 1429 N GLY A 95 1.057 19.241 17.531 1.00 71.30 N ATOM 1430 CA GLY A 95 0.516 19.092 18.869 1.00 32.23 C ATOM 1431 C GLY A 95 -0.100 20.375 19.392 1.00 61.32 C ATOM 1432 O GLY A 95 -1.246 20.383 19.842 1.00 64.25 O ATOM 0 H GLY A 95 0.358 19.301 16.790 1.00 71.30 H new ATOM 0 HA2 GLY A 95 -0.238 18.305 18.867 1.00 32.23 H new ATOM 0 HA3 GLY A 95 1.309 18.772 19.545 1.00 32.23 H new TER 1436 GLY A 95