USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1101 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 TYR OH : rot 167:sc= 0.915 USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= -0.0181 (180deg=-0.174) USER MOD Single : A 11 ASN : amide:sc= 0.124 K(o=0.12,f=-6.4!) USER MOD Single : A 13 GLN : amide:sc= -0.756 K(o=-0.76,f=-4.9!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -150:sc= -0.0371 USER MOD Single : A 29 SER OG : rot 180:sc= -0.368 USER MOD Single : A 30 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 32 GLN : amide:sc=-0.00662 X(o=-0.0066,f=-0.37) USER MOD Single : A 36 MET CE :methyl -110:sc= -1.62 (180deg=-2.74!) USER MOD Single : A 37 ASN : amide:sc= -2.55! X(o=-2.5!,f=-2.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.017) USER MOD Single : A 55 THR OG1 : rot -48:sc= 0.965 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 94:sc= 1.64 USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 0.747 (180deg=0.608) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0781 F(o=-0.64,f=-0.078) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0923 F(o=-0.68,f=-0.092) USER MOD Single : A 83 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.15) USER MOD Single : A 84 ASN : amide:sc= -0.31 K(o=-0.31,f=-3.4!) USER MOD Single : A 94 GLN : amide:sc= 0.951 K(o=0.95,f=-11!) USER MOD Single : A 101 THR OG1 : rot 108:sc= 0.529 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 MET CE :methyl -165:sc= -3.02! (180deg=-3.22) USER MOD Single : A 125 HIS : no HD1:sc= 0.626 K(o=0.63,f=-2.6!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 131 TYR OH : rot -130:sc= -0.444 USER MOD Single : A 136 SER OG : rot 180:sc= -0.146 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 144 GLN : amide:sc= -0.0145 K(o=-0.014,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 3 5.906 -3.654 18.147 1.00 34.12 N ATOM 45 CA VAL A 3 6.941 -3.252 17.185 1.00 53.33 C ATOM 46 C VAL A 3 7.229 -4.369 16.165 1.00 22.24 C ATOM 47 O VAL A 3 8.068 -5.248 16.392 1.00 62.12 O ATOM 48 CB VAL A 3 8.247 -2.809 17.891 1.00 32.50 C ATOM 49 CG1 VAL A 3 9.345 -2.480 16.876 1.00 61.25 C ATOM 50 CG2 VAL A 3 7.981 -1.615 18.806 1.00 30.05 C ATOM 0 HA VAL A 3 6.548 -2.391 16.644 1.00 53.33 H new ATOM 0 HB VAL A 3 8.599 -3.642 18.500 1.00 32.50 H new ATOM 0 HG11 VAL A 3 10.248 -2.173 17.404 1.00 61.25 H new ATOM 0 HG12 VAL A 3 9.560 -3.362 16.273 1.00 61.25 H new ATOM 0 HG13 VAL A 3 9.010 -1.670 16.228 1.00 61.25 H new ATOM 0 HG21 VAL A 3 8.909 -1.317 19.294 1.00 30.05 H new ATOM 0 HG22 VAL A 3 7.598 -0.783 18.216 1.00 30.05 H new ATOM 0 HG23 VAL A 3 7.246 -1.892 19.562 1.00 30.05 H new ATOM 60 N TYR A 4 6.510 -4.322 15.046 1.00 31.42 N ATOM 61 CA TYR A 4 6.620 -5.332 13.988 1.00 52.35 C ATOM 62 C TYR A 4 7.925 -5.213 13.194 1.00 61.30 C ATOM 63 O TYR A 4 8.556 -4.156 13.143 1.00 45.24 O ATOM 64 CB TYR A 4 5.433 -5.219 13.017 1.00 13.42 C ATOM 65 CG TYR A 4 4.177 -5.931 13.480 1.00 41.23 C ATOM 66 CD1 TYR A 4 3.442 -5.465 14.561 1.00 13.13 C ATOM 67 CD2 TYR A 4 3.719 -7.066 12.817 1.00 32.11 C ATOM 68 CE1 TYR A 4 2.291 -6.109 14.970 1.00 71.52 C ATOM 69 CE2 TYR A 4 2.571 -7.715 13.223 1.00 53.03 C ATOM 70 CZ TYR A 4 1.859 -7.231 14.299 1.00 12.12 C ATOM 71 OH TYR A 4 0.705 -7.865 14.698 1.00 22.23 O ATOM 0 H TYR A 4 5.834 -3.585 14.844 1.00 31.42 H new ATOM 0 HA TYR A 4 6.614 -6.303 14.483 1.00 52.35 H new ATOM 0 HB2 TYR A 4 5.203 -4.165 12.864 1.00 13.42 H new ATOM 0 HB3 TYR A 4 5.730 -5.624 12.050 1.00 13.42 H new ATOM 0 HD1 TYR A 4 3.775 -4.585 15.091 1.00 13.13 H new ATOM 0 HD2 TYR A 4 4.272 -7.445 11.970 1.00 32.11 H new ATOM 0 HE1 TYR A 4 1.731 -5.734 15.814 1.00 71.52 H new ATOM 0 HE2 TYR A 4 2.232 -8.597 12.700 1.00 53.03 H new ATOM 0 HH TYR A 4 0.428 -8.504 14.009 1.00 22.23 H new ATOM 81 N LYS A 5 8.302 -6.320 12.567 1.00 52.41 N ATOM 82 CA LYS A 5 9.458 -6.375 11.671 1.00 21.32 C ATOM 83 C LYS A 5 9.102 -7.177 10.411 1.00 0.32 C ATOM 84 O LYS A 5 8.131 -7.935 10.416 1.00 44.41 O ATOM 85 CB LYS A 5 10.666 -7.013 12.384 1.00 71.54 C ATOM 86 CG LYS A 5 11.242 -6.161 13.510 1.00 11.15 C ATOM 87 CD LYS A 5 11.773 -4.826 12.994 1.00 11.21 C ATOM 88 CE LYS A 5 12.337 -3.971 14.120 1.00 72.32 C ATOM 89 NZ LYS A 5 13.491 -4.623 14.792 1.00 51.22 N ATOM 0 H LYS A 5 7.815 -7.211 12.664 1.00 52.41 H new ATOM 0 HA LYS A 5 9.727 -5.359 11.383 1.00 21.32 H new ATOM 0 HB2 LYS A 5 10.367 -7.979 12.790 1.00 71.54 H new ATOM 0 HB3 LYS A 5 11.449 -7.204 11.650 1.00 71.54 H new ATOM 0 HG2 LYS A 5 10.472 -5.981 14.260 1.00 11.15 H new ATOM 0 HG3 LYS A 5 12.046 -6.706 14.004 1.00 11.15 H new ATOM 0 HD2 LYS A 5 12.549 -5.006 12.250 1.00 11.21 H new ATOM 0 HD3 LYS A 5 10.971 -4.285 12.493 1.00 11.21 H new ATOM 0 HE2 LYS A 5 12.648 -3.006 13.721 1.00 72.32 H new ATOM 0 HE3 LYS A 5 11.554 -3.775 14.853 1.00 72.32 H new ATOM 0 HZ1 LYS A 5 13.959 -3.939 15.420 1.00 51.22 H new ATOM 0 HZ2 LYS A 5 13.155 -5.433 15.352 1.00 51.22 H new ATOM 0 HZ3 LYS A 5 14.168 -4.955 14.075 1.00 51.22 H new ATOM 103 N PRO A 6 9.862 -7.023 9.309 1.00 14.25 N ATOM 104 CA PRO A 6 9.620 -7.787 8.067 1.00 72.31 C ATOM 105 C PRO A 6 9.532 -9.305 8.307 1.00 22.32 C ATOM 106 O PRO A 6 8.679 -9.989 7.740 1.00 74.15 O ATOM 107 CB PRO A 6 10.839 -7.438 7.204 1.00 51.21 C ATOM 108 CG PRO A 6 11.262 -6.091 7.689 1.00 74.52 C ATOM 109 CD PRO A 6 11.001 -6.092 9.169 1.00 71.43 C ATOM 0 HA PRO A 6 8.665 -7.531 7.608 1.00 72.31 H new ATOM 0 HB2 PRO A 6 11.635 -8.172 7.325 1.00 51.21 H new ATOM 0 HB3 PRO A 6 10.583 -7.417 6.145 1.00 51.21 H new ATOM 0 HG2 PRO A 6 12.316 -5.912 7.477 1.00 74.52 H new ATOM 0 HG3 PRO A 6 10.698 -5.301 7.192 1.00 74.52 H new ATOM 0 HD2 PRO A 6 11.871 -6.432 9.731 1.00 71.43 H new ATOM 0 HD3 PRO A 6 10.754 -5.095 9.535 1.00 71.43 H new ATOM 117 N GLU A 7 10.412 -9.825 9.160 1.00 22.22 N ATOM 118 CA GLU A 7 10.403 -11.254 9.519 1.00 31.32 C ATOM 119 C GLU A 7 9.443 -11.543 10.691 1.00 40.44 C ATOM 120 O GLU A 7 9.403 -12.655 11.218 1.00 51.04 O ATOM 121 CB GLU A 7 11.827 -11.756 9.847 1.00 25.44 C ATOM 122 CG GLU A 7 12.676 -10.806 10.695 1.00 53.15 C ATOM 123 CD GLU A 7 13.318 -9.695 9.872 1.00 63.12 C ATOM 124 OE1 GLU A 7 14.242 -9.992 9.083 1.00 15.22 O ATOM 125 OE2 GLU A 7 12.886 -8.532 9.987 1.00 11.15 O ATOM 0 H GLU A 7 11.144 -9.283 9.619 1.00 22.22 H new ATOM 0 HA GLU A 7 10.038 -11.800 8.649 1.00 31.32 H new ATOM 0 HB2 GLU A 7 11.747 -12.710 10.369 1.00 25.44 H new ATOM 0 HB3 GLU A 7 12.351 -11.948 8.911 1.00 25.44 H new ATOM 0 HG2 GLU A 7 12.052 -10.363 11.471 1.00 53.15 H new ATOM 0 HG3 GLU A 7 13.456 -11.376 11.200 1.00 53.15 H new ATOM 132 N ASP A 8 8.670 -10.536 11.088 1.00 55.25 N ATOM 133 CA ASP A 8 7.630 -10.700 12.111 1.00 74.32 C ATOM 134 C ASP A 8 6.234 -10.692 11.459 1.00 53.41 C ATOM 135 O ASP A 8 5.318 -11.395 11.900 1.00 72.40 O ATOM 136 CB ASP A 8 7.747 -9.578 13.149 1.00 32.30 C ATOM 137 CG ASP A 8 6.714 -9.684 14.255 1.00 10.20 C ATOM 138 OD1 ASP A 8 6.896 -10.521 15.165 1.00 20.21 O ATOM 139 OD2 ASP A 8 5.717 -8.940 14.217 1.00 51.41 O ATOM 0 H ASP A 8 8.742 -9.589 10.716 1.00 55.25 H new ATOM 0 HA ASP A 8 7.767 -11.659 12.611 1.00 74.32 H new ATOM 0 HB2 ASP A 8 8.745 -9.599 13.588 1.00 32.30 H new ATOM 0 HB3 ASP A 8 7.639 -8.615 12.649 1.00 32.30 H new ATOM 144 N VAL A 9 6.097 -9.898 10.398 1.00 75.22 N ATOM 145 CA VAL A 9 4.851 -9.804 9.632 1.00 40.12 C ATOM 146 C VAL A 9 4.527 -11.129 8.916 1.00 35.04 C ATOM 147 O VAL A 9 5.383 -11.696 8.229 1.00 42.22 O ATOM 148 CB VAL A 9 4.937 -8.669 8.576 1.00 52.41 C ATOM 149 CG1 VAL A 9 3.645 -8.562 7.764 1.00 51.55 C ATOM 150 CG2 VAL A 9 5.271 -7.336 9.242 1.00 44.51 C ATOM 0 H VAL A 9 6.845 -9.301 10.044 1.00 75.22 H new ATOM 0 HA VAL A 9 4.056 -9.583 10.344 1.00 40.12 H new ATOM 0 HB VAL A 9 5.742 -8.919 7.885 1.00 52.41 H new ATOM 0 HG11 VAL A 9 3.739 -7.758 7.034 1.00 51.55 H new ATOM 0 HG12 VAL A 9 3.462 -9.503 7.245 1.00 51.55 H new ATOM 0 HG13 VAL A 9 2.811 -8.349 8.433 1.00 51.55 H new ATOM 0 HG21 VAL A 9 5.326 -6.554 8.484 1.00 44.51 H new ATOM 0 HG22 VAL A 9 4.495 -7.086 9.965 1.00 44.51 H new ATOM 0 HG23 VAL A 9 6.231 -7.415 9.753 1.00 44.51 H new ATOM 160 N PRO A 10 3.291 -11.647 9.068 1.00 75.25 N ATOM 161 CA PRO A 10 2.857 -12.876 8.379 1.00 72.30 C ATOM 162 C PRO A 10 2.890 -12.735 6.846 1.00 22.11 C ATOM 163 O PRO A 10 2.270 -11.834 6.278 1.00 3.21 O ATOM 164 CB PRO A 10 1.415 -13.083 8.877 1.00 30.24 C ATOM 165 CG PRO A 10 0.983 -11.742 9.374 1.00 34.34 C ATOM 166 CD PRO A 10 2.223 -11.091 9.920 1.00 41.13 C ATOM 0 HA PRO A 10 3.517 -13.716 8.597 1.00 72.30 H new ATOM 0 HB2 PRO A 10 0.767 -13.434 8.074 1.00 30.24 H new ATOM 0 HB3 PRO A 10 1.374 -13.830 9.670 1.00 30.24 H new ATOM 0 HG2 PRO A 10 0.550 -11.147 8.570 1.00 34.34 H new ATOM 0 HG3 PRO A 10 0.219 -11.838 10.146 1.00 34.34 H new ATOM 0 HD2 PRO A 10 2.174 -10.004 9.848 1.00 41.13 H new ATOM 0 HD3 PRO A 10 2.377 -11.334 10.971 1.00 41.13 H new ATOM 174 N ASN A 11 3.617 -13.630 6.182 1.00 13.51 N ATOM 175 CA ASN A 11 3.750 -13.592 4.722 1.00 4.12 C ATOM 176 C ASN A 11 2.433 -13.963 4.014 1.00 54.21 C ATOM 177 O ASN A 11 2.154 -15.137 3.765 1.00 34.43 O ATOM 178 CB ASN A 11 4.900 -14.508 4.254 1.00 41.21 C ATOM 179 CG ASN A 11 4.819 -15.921 4.816 1.00 75.53 C ATOM 180 OD1 ASN A 11 4.336 -16.142 5.922 1.00 71.52 O ATOM 181 ND2 ASN A 11 5.306 -16.892 4.068 1.00 2.41 N ATOM 0 H ASN A 11 4.125 -14.393 6.630 1.00 13.51 H new ATOM 0 HA ASN A 11 3.989 -12.565 4.444 1.00 4.12 H new ATOM 0 HB2 ASN A 11 4.894 -14.558 3.165 1.00 41.21 H new ATOM 0 HB3 ASN A 11 5.851 -14.063 4.547 1.00 41.21 H new ATOM 0 HD21 ASN A 11 5.287 -17.854 4.405 1.00 2.41 H new ATOM 0 HD22 ASN A 11 5.702 -16.681 3.152 1.00 2.41 H new ATOM 188 N VAL A 12 1.616 -12.950 3.717 1.00 71.13 N ATOM 189 CA VAL A 12 0.346 -13.164 3.014 1.00 14.24 C ATOM 190 C VAL A 12 0.562 -13.569 1.546 1.00 21.02 C ATOM 191 O VAL A 12 -0.157 -14.414 1.019 1.00 53.32 O ATOM 192 CB VAL A 12 -0.573 -11.915 3.077 1.00 51.11 C ATOM 193 CG1 VAL A 12 -0.944 -11.597 4.524 1.00 34.30 C ATOM 194 CG2 VAL A 12 0.084 -10.709 2.404 1.00 51.35 C ATOM 0 H VAL A 12 1.809 -11.976 3.951 1.00 71.13 H new ATOM 0 HA VAL A 12 -0.148 -13.985 3.533 1.00 14.24 H new ATOM 0 HB VAL A 12 -1.488 -12.140 2.529 1.00 51.11 H new ATOM 0 HG11 VAL A 12 -1.589 -10.718 4.550 1.00 34.30 H new ATOM 0 HG12 VAL A 12 -1.470 -12.446 4.960 1.00 34.30 H new ATOM 0 HG13 VAL A 12 -0.038 -11.399 5.097 1.00 34.30 H new ATOM 0 HG21 VAL A 12 -0.584 -9.850 2.464 1.00 51.35 H new ATOM 0 HG22 VAL A 12 1.021 -10.476 2.909 1.00 51.35 H new ATOM 0 HG23 VAL A 12 0.284 -10.940 1.358 1.00 51.35 H new ATOM 204 N GLN A 13 1.554 -12.979 0.882 1.00 21.11 N ATOM 205 CA GLN A 13 1.875 -13.372 -0.497 1.00 21.25 C ATOM 206 C GLN A 13 2.373 -14.822 -0.548 1.00 31.12 C ATOM 207 O GLN A 13 2.609 -15.434 0.495 1.00 41.43 O ATOM 208 CB GLN A 13 2.903 -12.415 -1.120 1.00 40.14 C ATOM 209 CG GLN A 13 2.336 -11.033 -1.433 1.00 33.24 C ATOM 210 CD GLN A 13 1.102 -11.099 -2.319 1.00 54.31 C ATOM 211 OE1 GLN A 13 -0.021 -11.162 -1.835 1.00 23.30 O ATOM 212 NE2 GLN A 13 1.301 -11.111 -3.621 1.00 3.03 N ATOM 0 H GLN A 13 2.143 -12.239 1.264 1.00 21.11 H new ATOM 0 HA GLN A 13 0.960 -13.307 -1.087 1.00 21.25 H new ATOM 0 HB2 GLN A 13 3.747 -12.307 -0.439 1.00 40.14 H new ATOM 0 HB3 GLN A 13 3.289 -12.857 -2.038 1.00 40.14 H new ATOM 0 HG2 GLN A 13 2.084 -10.527 -0.501 1.00 33.24 H new ATOM 0 HG3 GLN A 13 3.101 -10.432 -1.925 1.00 33.24 H new ATOM 0 HE21 GLN A 13 2.249 -11.057 -3.992 1.00 3.03 H new ATOM 0 HE22 GLN A 13 0.507 -11.174 -4.258 1.00 3.03 H new ATOM 221 N LEU A 14 2.510 -15.374 -1.760 1.00 0.43 N ATOM 222 CA LEU A 14 2.851 -16.800 -1.949 1.00 10.22 C ATOM 223 C LEU A 14 1.667 -17.733 -1.638 1.00 13.44 C ATOM 224 O LEU A 14 1.430 -18.710 -2.354 1.00 33.23 O ATOM 225 CB LEU A 14 4.075 -17.204 -1.097 1.00 21.22 C ATOM 226 CG LEU A 14 5.441 -16.883 -1.717 1.00 3.54 C ATOM 227 CD1 LEU A 14 6.561 -17.070 -0.694 1.00 24.41 C ATOM 228 CD2 LEU A 14 5.671 -17.770 -2.935 1.00 11.30 C ATOM 0 H LEU A 14 2.390 -14.857 -2.631 1.00 0.43 H new ATOM 0 HA LEU A 14 3.100 -16.916 -3.004 1.00 10.22 H new ATOM 0 HB2 LEU A 14 4.006 -16.703 -0.131 1.00 21.22 H new ATOM 0 HB3 LEU A 14 4.025 -18.276 -0.904 1.00 21.22 H new ATOM 0 HG LEU A 14 5.449 -15.839 -2.031 1.00 3.54 H new ATOM 0 HD11 LEU A 14 7.520 -16.836 -1.157 1.00 24.41 H new ATOM 0 HD12 LEU A 14 6.395 -16.404 0.153 1.00 24.41 H new ATOM 0 HD13 LEU A 14 6.568 -18.103 -0.347 1.00 24.41 H new ATOM 0 HD21 LEU A 14 6.642 -17.540 -3.374 1.00 11.30 H new ATOM 0 HD22 LEU A 14 5.648 -18.817 -2.632 1.00 11.30 H new ATOM 0 HD23 LEU A 14 4.888 -17.588 -3.671 1.00 11.30 H new ATOM 240 N ALA A 15 0.932 -17.442 -0.571 1.00 24.54 N ATOM 241 CA ALA A 15 -0.172 -18.300 -0.137 1.00 53.21 C ATOM 242 C ALA A 15 -1.522 -17.557 -0.130 1.00 72.42 C ATOM 243 O ALA A 15 -2.437 -17.912 -0.879 1.00 73.52 O ATOM 244 CB ALA A 15 0.153 -18.868 1.235 1.00 4.52 C ATOM 0 H ALA A 15 1.078 -16.618 0.012 1.00 24.54 H new ATOM 0 HA ALA A 15 -0.280 -19.115 -0.853 1.00 53.21 H new ATOM 0 HB1 ALA A 15 -0.664 -19.509 1.566 1.00 4.52 H new ATOM 0 HB2 ALA A 15 1.072 -19.452 1.179 1.00 4.52 H new ATOM 0 HB3 ALA A 15 0.285 -18.051 1.945 1.00 4.52 H new ATOM 250 N ASP A 16 -1.642 -16.524 0.700 1.00 53.21 N ATOM 251 CA ASP A 16 -2.881 -15.731 0.797 1.00 31.31 C ATOM 252 C ASP A 16 -2.936 -14.624 -0.277 1.00 2.23 C ATOM 253 O ASP A 16 -3.542 -13.565 -0.073 1.00 11.43 O ATOM 254 CB ASP A 16 -2.983 -15.110 2.194 1.00 4.23 C ATOM 255 CG ASP A 16 -2.983 -16.158 3.289 1.00 61.51 C ATOM 256 OD1 ASP A 16 -1.888 -16.556 3.746 1.00 45.35 O ATOM 257 OD2 ASP A 16 -4.077 -16.595 3.699 1.00 23.52 O ATOM 0 H ASP A 16 -0.897 -16.209 1.321 1.00 53.21 H new ATOM 0 HA ASP A 16 -3.725 -16.399 0.625 1.00 31.31 H new ATOM 0 HB2 ASP A 16 -2.148 -14.427 2.348 1.00 4.23 H new ATOM 0 HB3 ASP A 16 -3.896 -14.518 2.261 1.00 4.23 H new ATOM 262 N SER A 17 -2.350 -14.899 -1.441 1.00 61.05 N ATOM 263 CA SER A 17 -2.270 -13.920 -2.539 1.00 54.04 C ATOM 264 C SER A 17 -3.633 -13.673 -3.210 1.00 3.33 C ATOM 265 O SER A 17 -3.709 -13.083 -4.290 1.00 30.33 O ATOM 266 CB SER A 17 -1.262 -14.396 -3.592 1.00 50.31 C ATOM 267 OG SER A 17 -1.637 -15.656 -4.129 1.00 41.23 O ATOM 0 H SER A 17 -1.918 -15.798 -1.655 1.00 61.05 H new ATOM 0 HA SER A 17 -1.943 -12.977 -2.102 1.00 54.04 H new ATOM 0 HB2 SER A 17 -1.196 -13.661 -4.394 1.00 50.31 H new ATOM 0 HB3 SER A 17 -0.271 -14.469 -3.144 1.00 50.31 H new ATOM 0 HG SER A 17 -0.978 -15.935 -4.799 1.00 41.23 H new ATOM 273 N THR A 18 -4.707 -14.136 -2.575 1.00 30.53 N ATOM 274 CA THR A 18 -6.072 -13.855 -3.036 1.00 25.31 C ATOM 275 C THR A 18 -6.498 -12.432 -2.655 1.00 44.43 C ATOM 276 O THR A 18 -7.112 -11.722 -3.450 1.00 32.43 O ATOM 277 CB THR A 18 -7.083 -14.854 -2.428 1.00 35.12 C ATOM 278 OG1 THR A 18 -6.991 -14.824 -0.994 1.00 0.33 O ATOM 279 CG2 THR A 18 -6.822 -16.273 -2.925 1.00 15.23 C ATOM 0 H THR A 18 -4.661 -14.711 -1.734 1.00 30.53 H new ATOM 0 HA THR A 18 -6.070 -13.958 -4.121 1.00 25.31 H new ATOM 0 HB THR A 18 -8.084 -14.558 -2.742 1.00 35.12 H new ATOM 0 HG1 THR A 18 -7.634 -15.457 -0.612 1.00 0.33 H new ATOM 0 HG21 THR A 18 -7.548 -16.954 -2.481 1.00 15.23 H new ATOM 0 HG22 THR A 18 -6.915 -16.301 -4.011 1.00 15.23 H new ATOM 0 HG23 THR A 18 -5.816 -16.579 -2.639 1.00 15.23 H new ATOM 287 N ARG A 19 -6.171 -12.031 -1.428 1.00 1.10 N ATOM 288 CA ARG A 19 -6.474 -10.676 -0.939 1.00 3.11 C ATOM 289 C ARG A 19 -5.257 -9.742 -1.037 1.00 64.02 C ATOM 290 O ARG A 19 -5.410 -8.541 -1.251 1.00 52.12 O ATOM 291 CB ARG A 19 -6.974 -10.721 0.516 1.00 71.34 C ATOM 292 CG ARG A 19 -6.154 -11.622 1.440 1.00 34.22 C ATOM 293 CD ARG A 19 -6.429 -11.335 2.918 1.00 55.32 C ATOM 294 NE ARG A 19 -7.836 -11.018 3.178 1.00 63.42 N ATOM 295 CZ ARG A 19 -8.687 -11.810 3.772 1.00 43.03 C ATOM 296 NH1 ARG A 19 -8.357 -13.023 4.095 1.00 44.44 N ATOM 297 NH2 ARG A 19 -9.883 -11.383 4.020 1.00 34.52 N ATOM 0 H ARG A 19 -5.694 -12.623 -0.748 1.00 1.10 H new ATOM 0 HA ARG A 19 -7.259 -10.276 -1.581 1.00 3.11 H new ATOM 0 HB2 ARG A 19 -6.971 -9.708 0.920 1.00 71.34 H new ATOM 0 HB3 ARG A 19 -8.009 -11.063 0.521 1.00 71.34 H new ATOM 0 HG2 ARG A 19 -6.384 -12.666 1.225 1.00 34.22 H new ATOM 0 HG3 ARG A 19 -5.093 -11.481 1.235 1.00 34.22 H new ATOM 0 HD2 ARG A 19 -6.140 -12.202 3.513 1.00 55.32 H new ATOM 0 HD3 ARG A 19 -5.806 -10.502 3.245 1.00 55.32 H new ATOM 0 HE ARG A 19 -8.177 -10.107 2.871 1.00 63.42 H new ATOM 0 HH11 ARG A 19 -7.421 -13.370 3.885 1.00 44.44 H new ATOM 0 HH12 ARG A 19 -9.034 -13.629 4.559 1.00 44.44 H new ATOM 0 HH21 ARG A 19 -10.152 -10.436 3.752 1.00 34.52 H new ATOM 0 HH22 ARG A 19 -10.556 -11.993 4.484 1.00 34.52 H new ATOM 311 N LEU A 20 -4.053 -10.302 -0.869 1.00 62.31 N ATOM 312 CA LEU A 20 -2.801 -9.515 -0.858 1.00 73.24 C ATOM 313 C LEU A 20 -2.766 -8.495 0.304 1.00 24.44 C ATOM 314 O LEU A 20 -1.900 -7.620 0.351 1.00 65.43 O ATOM 315 CB LEU A 20 -2.579 -8.785 -2.200 1.00 24.53 C ATOM 316 CG LEU A 20 -2.433 -9.685 -3.446 1.00 20.22 C ATOM 317 CD1 LEU A 20 -3.793 -10.057 -4.029 1.00 0.33 C ATOM 318 CD2 LEU A 20 -1.561 -9.013 -4.504 1.00 3.54 C ATOM 0 H LEU A 20 -3.913 -11.304 -0.737 1.00 62.31 H new ATOM 0 HA LEU A 20 -1.991 -10.229 -0.709 1.00 73.24 H new ATOM 0 HB2 LEU A 20 -3.415 -8.106 -2.364 1.00 24.53 H new ATOM 0 HB3 LEU A 20 -1.682 -8.171 -2.113 1.00 24.53 H new ATOM 0 HG LEU A 20 -1.943 -10.606 -3.129 1.00 20.22 H new ATOM 0 HD11 LEU A 20 -3.652 -10.691 -4.905 1.00 0.33 H new ATOM 0 HD12 LEU A 20 -4.375 -10.596 -3.281 1.00 0.33 H new ATOM 0 HD13 LEU A 20 -4.325 -9.151 -4.319 1.00 0.33 H new ATOM 0 HD21 LEU A 20 -1.473 -9.667 -5.372 1.00 3.54 H new ATOM 0 HD22 LEU A 20 -2.016 -8.069 -4.805 1.00 3.54 H new ATOM 0 HD23 LEU A 20 -0.570 -8.823 -4.092 1.00 3.54 H new ATOM 330 N VAL A 21 -3.701 -8.626 1.247 1.00 72.52 N ATOM 331 CA VAL A 21 -3.807 -7.694 2.382 1.00 33.02 C ATOM 332 C VAL A 21 -3.332 -8.340 3.694 1.00 30.13 C ATOM 333 O VAL A 21 -3.667 -9.486 3.989 1.00 40.14 O ATOM 334 CB VAL A 21 -5.268 -7.204 2.574 1.00 41.21 C ATOM 335 CG1 VAL A 21 -5.370 -6.221 3.742 1.00 10.03 C ATOM 336 CG2 VAL A 21 -5.802 -6.572 1.290 1.00 21.34 C ATOM 0 H VAL A 21 -4.400 -9.369 1.251 1.00 72.52 H new ATOM 0 HA VAL A 21 -3.164 -6.847 2.145 1.00 33.02 H new ATOM 0 HB VAL A 21 -5.883 -8.073 2.809 1.00 41.21 H new ATOM 0 HG11 VAL A 21 -6.404 -5.894 3.853 1.00 10.03 H new ATOM 0 HG12 VAL A 21 -5.043 -6.711 4.659 1.00 10.03 H new ATOM 0 HG13 VAL A 21 -4.735 -5.357 3.547 1.00 10.03 H new ATOM 0 HG21 VAL A 21 -6.827 -6.236 1.449 1.00 21.34 H new ATOM 0 HG22 VAL A 21 -5.179 -5.720 1.017 1.00 21.34 H new ATOM 0 HG23 VAL A 21 -5.782 -7.308 0.486 1.00 21.34 H new ATOM 346 N THR A 22 -2.550 -7.593 4.474 1.00 4.52 N ATOM 347 CA THR A 22 -2.098 -8.046 5.797 1.00 42.14 C ATOM 348 C THR A 22 -2.768 -7.218 6.905 1.00 64.14 C ATOM 349 O THR A 22 -2.433 -6.046 7.104 1.00 62.04 O ATOM 350 CB THR A 22 -0.561 -7.929 5.947 1.00 53.05 C ATOM 351 OG1 THR A 22 0.096 -8.559 4.837 1.00 35.13 O ATOM 352 CG2 THR A 22 -0.084 -8.567 7.249 1.00 44.34 C ATOM 0 H THR A 22 -2.213 -6.666 4.214 1.00 4.52 H new ATOM 0 HA THR A 22 -2.381 -9.094 5.891 1.00 42.14 H new ATOM 0 HB THR A 22 -0.308 -6.869 5.966 1.00 53.05 H new ATOM 0 HG1 THR A 22 0.965 -8.907 5.126 1.00 35.13 H new ATOM 0 HG21 THR A 22 0.999 -8.470 7.327 1.00 44.34 H new ATOM 0 HG22 THR A 22 -0.555 -8.065 8.094 1.00 44.34 H new ATOM 0 HG23 THR A 22 -0.355 -9.623 7.257 1.00 44.34 H new ATOM 360 N ASP A 23 -3.721 -7.820 7.613 1.00 31.33 N ATOM 361 CA ASP A 23 -4.498 -7.105 8.631 1.00 65.13 C ATOM 362 C ASP A 23 -3.926 -7.302 10.053 1.00 54.43 C ATOM 363 O ASP A 23 -4.440 -8.090 10.849 1.00 1.21 O ATOM 364 CB ASP A 23 -5.978 -7.528 8.557 1.00 0.34 C ATOM 365 CG ASP A 23 -6.204 -9.017 8.799 1.00 44.13 C ATOM 366 OD1 ASP A 23 -5.411 -9.843 8.300 1.00 23.24 O ATOM 367 OD2 ASP A 23 -7.197 -9.368 9.474 1.00 2.42 O ATOM 0 H ASP A 23 -3.976 -8.801 7.503 1.00 31.33 H new ATOM 0 HA ASP A 23 -4.425 -6.039 8.417 1.00 65.13 H new ATOM 0 HB2 ASP A 23 -6.546 -6.959 9.293 1.00 0.34 H new ATOM 0 HB3 ASP A 23 -6.373 -7.264 7.576 1.00 0.34 H new ATOM 372 N GLU A 24 -2.848 -6.580 10.362 1.00 34.13 N ATOM 373 CA GLU A 24 -2.244 -6.619 11.702 1.00 74.45 C ATOM 374 C GLU A 24 -2.628 -5.372 12.513 1.00 23.20 C ATOM 375 O GLU A 24 -3.008 -5.466 13.680 1.00 51.54 O ATOM 376 CB GLU A 24 -0.717 -6.737 11.595 1.00 62.41 C ATOM 377 CG GLU A 24 -0.242 -8.015 10.906 1.00 23.25 C ATOM 378 CD GLU A 24 -0.662 -9.279 11.646 1.00 11.31 C ATOM 379 OE1 GLU A 24 0.039 -9.674 12.606 1.00 22.03 O ATOM 380 OE2 GLU A 24 -1.696 -9.880 11.285 1.00 25.30 O ATOM 0 H GLU A 24 -2.373 -5.960 9.706 1.00 34.13 H new ATOM 0 HA GLU A 24 -2.628 -7.495 12.224 1.00 74.45 H new ATOM 0 HB2 GLU A 24 -0.333 -5.876 11.047 1.00 62.41 H new ATOM 0 HB3 GLU A 24 -0.288 -6.695 12.596 1.00 62.41 H new ATOM 0 HG2 GLU A 24 -0.640 -8.045 9.892 1.00 23.25 H new ATOM 0 HG3 GLU A 24 0.844 -7.994 10.821 1.00 23.25 H new ATOM 387 N ALA A 25 -2.515 -4.197 11.889 1.00 31.24 N ATOM 388 CA ALA A 25 -2.963 -2.941 12.510 1.00 23.51 C ATOM 389 C ALA A 25 -4.479 -2.928 12.764 1.00 61.21 C ATOM 390 O ALA A 25 -4.965 -2.193 13.621 1.00 22.30 O ATOM 391 CB ALA A 25 -2.572 -1.752 11.641 1.00 62.00 C ATOM 0 H ALA A 25 -2.118 -4.086 10.956 1.00 31.24 H new ATOM 0 HA ALA A 25 -2.466 -2.865 13.477 1.00 23.51 H new ATOM 0 HB1 ALA A 25 -2.910 -0.830 12.113 1.00 62.00 H new ATOM 0 HB2 ALA A 25 -1.488 -1.725 11.527 1.00 62.00 H new ATOM 0 HB3 ALA A 25 -3.038 -1.849 10.660 1.00 62.00 H new ATOM 397 N GLY A 26 -5.218 -3.736 12.003 1.00 61.34 N ATOM 398 CA GLY A 26 -6.671 -3.811 12.159 1.00 0.34 C ATOM 399 C GLY A 26 -7.385 -2.494 11.855 1.00 75.53 C ATOM 400 O GLY A 26 -8.411 -2.181 12.460 1.00 5.54 O ATOM 0 H GLY A 26 -4.838 -4.344 11.277 1.00 61.34 H new ATOM 0 HA2 GLY A 26 -7.060 -4.587 11.499 1.00 0.34 H new ATOM 0 HA3 GLY A 26 -6.904 -4.114 13.180 1.00 0.34 H new ATOM 404 N LEU A 27 -6.852 -1.732 10.900 1.00 64.15 N ATOM 405 CA LEU A 27 -7.407 -0.415 10.545 1.00 22.14 C ATOM 406 C LEU A 27 -8.436 -0.509 9.406 1.00 34.04 C ATOM 407 O LEU A 27 -8.836 0.505 8.834 1.00 52.13 O ATOM 408 CB LEU A 27 -6.267 0.530 10.139 1.00 12.00 C ATOM 409 CG LEU A 27 -5.237 0.822 11.241 1.00 0.25 C ATOM 410 CD1 LEU A 27 -4.079 1.649 10.691 1.00 44.51 C ATOM 411 CD2 LEU A 27 -5.898 1.532 12.424 1.00 15.02 C ATOM 0 H LEU A 27 -6.034 -2.001 10.354 1.00 64.15 H new ATOM 0 HA LEU A 27 -7.924 -0.025 11.422 1.00 22.14 H new ATOM 0 HB2 LEU A 27 -5.747 0.100 9.283 1.00 12.00 H new ATOM 0 HB3 LEU A 27 -6.699 1.474 9.808 1.00 12.00 H new ATOM 0 HG LEU A 27 -4.837 -0.128 11.595 1.00 0.25 H new ATOM 0 HD11 LEU A 27 -3.361 1.845 11.488 1.00 44.51 H new ATOM 0 HD12 LEU A 27 -3.589 1.099 9.888 1.00 44.51 H new ATOM 0 HD13 LEU A 27 -4.459 2.595 10.304 1.00 44.51 H new ATOM 0 HD21 LEU A 27 -5.151 1.730 13.193 1.00 15.02 H new ATOM 0 HD22 LEU A 27 -6.330 2.474 12.087 1.00 15.02 H new ATOM 0 HD23 LEU A 27 -6.684 0.899 12.835 1.00 15.02 H new ATOM 423 N LEU A 28 -8.871 -1.725 9.088 1.00 34.10 N ATOM 424 CA LEU A 28 -9.838 -1.944 8.005 1.00 53.12 C ATOM 425 C LEU A 28 -11.105 -2.645 8.516 1.00 51.10 C ATOM 426 O LEU A 28 -11.036 -3.699 9.150 1.00 21.34 O ATOM 427 CB LEU A 28 -9.202 -2.778 6.881 1.00 42.34 C ATOM 428 CG LEU A 28 -8.014 -2.115 6.159 1.00 40.21 C ATOM 429 CD1 LEU A 28 -7.434 -3.052 5.102 1.00 10.44 C ATOM 430 CD2 LEU A 28 -8.438 -0.790 5.525 1.00 75.31 C ATOM 0 H LEU A 28 -8.572 -2.577 9.562 1.00 34.10 H new ATOM 0 HA LEU A 28 -10.122 -0.967 7.615 1.00 53.12 H new ATOM 0 HB2 LEU A 28 -8.867 -3.727 7.300 1.00 42.34 H new ATOM 0 HB3 LEU A 28 -9.971 -3.009 6.143 1.00 42.34 H new ATOM 0 HG LEU A 28 -7.240 -1.910 6.898 1.00 40.21 H new ATOM 0 HD11 LEU A 28 -6.596 -2.564 4.604 1.00 10.44 H new ATOM 0 HD12 LEU A 28 -7.089 -3.969 5.579 1.00 10.44 H new ATOM 0 HD13 LEU A 28 -8.203 -3.292 4.368 1.00 10.44 H new ATOM 0 HD21 LEU A 28 -7.584 -0.338 5.020 1.00 75.31 H new ATOM 0 HD22 LEU A 28 -9.233 -0.971 4.802 1.00 75.31 H new ATOM 0 HD23 LEU A 28 -8.800 -0.115 6.301 1.00 75.31 H new ATOM 442 N SER A 29 -12.258 -2.037 8.251 1.00 14.42 N ATOM 443 CA SER A 29 -13.557 -2.654 8.563 1.00 51.21 C ATOM 444 C SER A 29 -13.910 -3.731 7.526 1.00 41.14 C ATOM 445 O SER A 29 -13.228 -3.861 6.512 1.00 22.21 O ATOM 446 CB SER A 29 -14.656 -1.583 8.599 1.00 54.45 C ATOM 447 OG SER A 29 -15.938 -2.168 8.738 1.00 3.31 O ATOM 0 H SER A 29 -12.326 -1.115 7.820 1.00 14.42 H new ATOM 0 HA SER A 29 -13.485 -3.126 9.543 1.00 51.21 H new ATOM 0 HB2 SER A 29 -14.474 -0.899 9.428 1.00 54.45 H new ATOM 0 HB3 SER A 29 -14.621 -0.991 7.684 1.00 54.45 H new ATOM 0 HG SER A 29 -16.619 -1.463 8.760 1.00 3.31 H new ATOM 453 N ASN A 30 -14.983 -4.484 7.768 1.00 12.24 N ATOM 454 CA ASN A 30 -15.396 -5.567 6.859 1.00 3.53 C ATOM 455 C ASN A 30 -15.577 -5.052 5.421 1.00 22.54 C ATOM 456 O ASN A 30 -15.078 -5.650 4.465 1.00 22.14 O ATOM 457 CB ASN A 30 -16.699 -6.203 7.360 1.00 22.31 C ATOM 458 CG ASN A 30 -17.184 -7.358 6.494 1.00 33.34 C ATOM 459 OD1 ASN A 30 -16.269 -8.101 5.903 1.00 3.11 O flip ATOM 460 ND2 ASN A 30 -18.382 -7.588 6.365 1.00 10.30 N flip ATOM 0 H ASN A 30 -15.585 -4.369 8.583 1.00 12.24 H new ATOM 0 HA ASN A 30 -14.608 -6.320 6.849 1.00 3.53 H new ATOM 0 HB2 ASN A 30 -16.551 -6.561 8.379 1.00 22.31 H new ATOM 0 HB3 ASN A 30 -17.475 -5.439 7.400 1.00 22.31 H new ATOM 0 HD21 ASN A 30 -19.068 -6.997 6.834 1.00 10.30 H new ATOM 0 HD22 ASN A 30 -18.692 -8.371 5.789 1.00 10.30 H new ATOM 467 N ALA A 31 -16.287 -3.935 5.277 1.00 51.32 N ATOM 468 CA ALA A 31 -16.494 -3.309 3.965 1.00 2.22 C ATOM 469 C ALA A 31 -15.169 -2.829 3.354 1.00 3.14 C ATOM 470 O ALA A 31 -14.873 -3.110 2.196 1.00 14.10 O ATOM 471 CB ALA A 31 -17.477 -2.148 4.077 1.00 10.54 C ATOM 0 H ALA A 31 -16.731 -3.441 6.051 1.00 51.32 H new ATOM 0 HA ALA A 31 -16.913 -4.065 3.301 1.00 2.22 H new ATOM 0 HB1 ALA A 31 -17.619 -1.695 3.096 1.00 10.54 H new ATOM 0 HB2 ALA A 31 -18.433 -2.516 4.449 1.00 10.54 H new ATOM 0 HB3 ALA A 31 -17.082 -1.402 4.767 1.00 10.54 H new ATOM 477 N GLN A 32 -14.369 -2.117 4.149 1.00 20.14 N ATOM 478 CA GLN A 32 -13.085 -1.575 3.677 1.00 23.14 C ATOM 479 C GLN A 32 -12.145 -2.696 3.202 1.00 0.34 C ATOM 480 O GLN A 32 -11.490 -2.582 2.163 1.00 63.00 O ATOM 481 CB GLN A 32 -12.404 -0.777 4.800 1.00 34.41 C ATOM 482 CG GLN A 32 -13.295 0.284 5.442 1.00 4.33 C ATOM 483 CD GLN A 32 -13.786 1.338 4.463 1.00 41.24 C ATOM 484 OE1 GLN A 32 -13.123 1.657 3.482 1.00 1.25 O ATOM 485 NE2 GLN A 32 -14.954 1.886 4.724 1.00 22.05 N ATOM 0 H GLN A 32 -14.583 -1.900 5.122 1.00 20.14 H new ATOM 0 HA GLN A 32 -13.292 -0.918 2.832 1.00 23.14 H new ATOM 0 HB2 GLN A 32 -12.070 -1.470 5.572 1.00 34.41 H new ATOM 0 HB3 GLN A 32 -11.514 -0.293 4.398 1.00 34.41 H new ATOM 0 HG2 GLN A 32 -14.155 -0.204 5.900 1.00 4.33 H new ATOM 0 HG3 GLN A 32 -12.743 0.774 6.244 1.00 4.33 H new ATOM 0 HE21 GLN A 32 -15.480 1.597 5.549 1.00 22.05 H new ATOM 0 HE22 GLN A 32 -15.333 2.599 4.101 1.00 22.05 H new ATOM 494 N GLU A 33 -12.103 -3.779 3.976 1.00 13.01 N ATOM 495 CA GLU A 33 -11.264 -4.944 3.673 1.00 15.11 C ATOM 496 C GLU A 33 -11.741 -5.610 2.370 1.00 72.33 C ATOM 497 O GLU A 33 -10.945 -5.887 1.474 1.00 63.02 O ATOM 498 CB GLU A 33 -11.326 -5.925 4.867 1.00 62.52 C ATOM 499 CG GLU A 33 -10.090 -6.817 5.057 1.00 32.02 C ATOM 500 CD GLU A 33 -10.120 -8.115 4.256 1.00 63.40 C ATOM 501 OE1 GLU A 33 -11.192 -8.754 4.179 1.00 71.14 O ATOM 502 OE2 GLU A 33 -9.062 -8.517 3.729 1.00 1.22 O ATOM 0 H GLU A 33 -12.649 -3.877 4.832 1.00 13.01 H new ATOM 0 HA GLU A 33 -10.229 -4.637 3.525 1.00 15.11 H new ATOM 0 HB2 GLU A 33 -11.480 -5.349 5.780 1.00 62.52 H new ATOM 0 HB3 GLU A 33 -12.199 -6.566 4.743 1.00 62.52 H new ATOM 0 HG2 GLU A 33 -9.202 -6.251 4.775 1.00 32.02 H new ATOM 0 HG3 GLU A 33 -9.991 -7.060 6.115 1.00 32.02 H new ATOM 509 N GLU A 34 -13.054 -5.822 2.264 1.00 53.42 N ATOM 510 CA GLU A 34 -13.670 -6.388 1.054 1.00 65.23 C ATOM 511 C GLU A 34 -13.353 -5.551 -0.200 1.00 61.03 C ATOM 512 O GLU A 34 -12.864 -6.076 -1.202 1.00 51.20 O ATOM 513 CB GLU A 34 -15.192 -6.487 1.241 1.00 50.13 C ATOM 514 CG GLU A 34 -15.939 -6.955 -0.004 1.00 31.11 C ATOM 515 CD GLU A 34 -17.434 -7.092 0.228 1.00 74.52 C ATOM 516 OE1 GLU A 34 -18.163 -6.089 0.075 1.00 4.43 O ATOM 517 OE2 GLU A 34 -17.888 -8.208 0.571 1.00 41.24 O ATOM 0 H GLU A 34 -13.720 -5.609 3.007 1.00 53.42 H new ATOM 0 HA GLU A 34 -13.249 -7.382 0.904 1.00 65.23 H new ATOM 0 HB2 GLU A 34 -15.404 -7.175 2.060 1.00 50.13 H new ATOM 0 HB3 GLU A 34 -15.576 -5.511 1.538 1.00 50.13 H new ATOM 0 HG2 GLU A 34 -15.764 -6.248 -0.815 1.00 31.11 H new ATOM 0 HG3 GLU A 34 -15.536 -7.915 -0.326 1.00 31.11 H new ATOM 524 N VAL A 35 -13.642 -4.251 -0.137 1.00 62.43 N ATOM 525 CA VAL A 35 -13.376 -3.339 -1.258 1.00 34.12 C ATOM 526 C VAL A 35 -11.904 -3.406 -1.693 1.00 4.55 C ATOM 527 O VAL A 35 -11.598 -3.526 -2.884 1.00 33.33 O ATOM 528 CB VAL A 35 -13.737 -1.873 -0.895 1.00 72.23 C ATOM 529 CG1 VAL A 35 -13.376 -0.917 -2.033 1.00 75.45 C ATOM 530 CG2 VAL A 35 -15.221 -1.756 -0.544 1.00 24.12 C ATOM 0 H VAL A 35 -14.061 -3.802 0.678 1.00 62.43 H new ATOM 0 HA VAL A 35 -14.007 -3.663 -2.085 1.00 34.12 H new ATOM 0 HB VAL A 35 -13.151 -1.590 -0.021 1.00 72.23 H new ATOM 0 HG11 VAL A 35 -13.640 0.102 -1.750 1.00 75.45 H new ATOM 0 HG12 VAL A 35 -12.305 -0.973 -2.229 1.00 75.45 H new ATOM 0 HG13 VAL A 35 -13.925 -1.198 -2.932 1.00 75.45 H new ATOM 0 HG21 VAL A 35 -15.455 -0.722 -0.292 1.00 24.12 H new ATOM 0 HG22 VAL A 35 -15.823 -2.067 -1.398 1.00 24.12 H new ATOM 0 HG23 VAL A 35 -15.445 -2.396 0.309 1.00 24.12 H new ATOM 540 N MET A 36 -10.995 -3.348 -0.721 1.00 15.04 N ATOM 541 CA MET A 36 -9.561 -3.432 -1.003 1.00 45.15 C ATOM 542 C MET A 36 -9.194 -4.791 -1.623 1.00 74.31 C ATOM 543 O MET A 36 -8.429 -4.851 -2.585 1.00 50.22 O ATOM 544 CB MET A 36 -8.751 -3.183 0.275 1.00 72.21 C ATOM 545 CG MET A 36 -7.242 -3.214 0.067 1.00 61.12 C ATOM 546 SD MET A 36 -6.333 -2.587 1.491 1.00 0.45 S ATOM 547 CE MET A 36 -6.877 -0.880 1.510 1.00 25.53 C ATOM 0 H MET A 36 -11.224 -3.243 0.267 1.00 15.04 H new ATOM 0 HA MET A 36 -9.313 -2.658 -1.729 1.00 45.15 H new ATOM 0 HB2 MET A 36 -9.031 -2.214 0.687 1.00 72.21 H new ATOM 0 HB3 MET A 36 -9.021 -3.935 1.017 1.00 72.21 H new ATOM 0 HG2 MET A 36 -6.928 -4.238 -0.138 1.00 61.12 H new ATOM 0 HG3 MET A 36 -6.988 -2.621 -0.811 1.00 61.12 H new ATOM 0 HE1 MET A 36 -6.050 -0.231 1.220 1.00 25.53 H new ATOM 0 HE2 MET A 36 -7.702 -0.753 0.809 1.00 25.53 H new ATOM 0 HE3 MET A 36 -7.210 -0.616 2.514 1.00 25.53 H new ATOM 557 N ASN A 37 -9.757 -5.875 -1.081 1.00 53.04 N ATOM 558 CA ASN A 37 -9.545 -7.222 -1.636 1.00 23.13 C ATOM 559 C ASN A 37 -9.968 -7.285 -3.109 1.00 61.10 C ATOM 560 O ASN A 37 -9.227 -7.775 -3.960 1.00 1.12 O ATOM 561 CB ASN A 37 -10.330 -8.268 -0.831 1.00 74.21 C ATOM 562 CG ASN A 37 -9.716 -8.574 0.526 1.00 43.14 C ATOM 563 OD1 ASN A 37 -9.875 -9.668 1.053 1.00 41.21 O ATOM 564 ND2 ASN A 37 -9.002 -7.625 1.099 1.00 30.13 N ATOM 0 H ASN A 37 -10.362 -5.850 -0.260 1.00 53.04 H new ATOM 0 HA ASN A 37 -8.480 -7.443 -1.568 1.00 23.13 H new ATOM 0 HB2 ASN A 37 -11.351 -7.914 -0.688 1.00 74.21 H new ATOM 0 HB3 ASN A 37 -10.391 -9.190 -1.410 1.00 74.21 H new ATOM 0 HD21 ASN A 37 -8.565 -7.793 2.005 1.00 30.13 H new ATOM 0 HD22 ASN A 37 -8.887 -6.723 0.636 1.00 30.13 H new ATOM 571 N GLY A 38 -11.167 -6.780 -3.398 1.00 44.24 N ATOM 572 CA GLY A 38 -11.670 -6.755 -4.765 1.00 42.14 C ATOM 573 C GLY A 38 -10.756 -5.996 -5.723 1.00 61.43 C ATOM 574 O GLY A 38 -10.444 -6.481 -6.809 1.00 61.33 O ATOM 0 H GLY A 38 -11.803 -6.385 -2.705 1.00 44.24 H new ATOM 0 HA2 GLY A 38 -11.791 -7.778 -5.121 1.00 42.14 H new ATOM 0 HA3 GLY A 38 -12.659 -6.296 -4.774 1.00 42.14 H new ATOM 578 N ARG A 39 -10.323 -4.803 -5.312 1.00 14.42 N ATOM 579 CA ARG A 39 -9.424 -3.979 -6.131 1.00 74.34 C ATOM 580 C ARG A 39 -8.072 -4.671 -6.372 1.00 24.34 C ATOM 581 O ARG A 39 -7.661 -4.855 -7.518 1.00 73.33 O ATOM 582 CB ARG A 39 -9.214 -2.603 -5.479 1.00 74.32 C ATOM 583 CG ARG A 39 -10.485 -1.758 -5.430 1.00 34.24 C ATOM 584 CD ARG A 39 -10.257 -0.386 -4.799 1.00 53.43 C ATOM 585 NE ARG A 39 -11.473 0.425 -4.837 1.00 21.24 N ATOM 586 CZ ARG A 39 -11.645 1.547 -4.194 1.00 32.34 C ATOM 587 NH1 ARG A 39 -10.709 2.044 -3.452 1.00 0.22 N ATOM 588 NH2 ARG A 39 -12.765 2.179 -4.301 1.00 44.53 N ATOM 0 H ARG A 39 -10.578 -4.384 -4.418 1.00 14.42 H new ATOM 0 HA ARG A 39 -9.899 -3.843 -7.102 1.00 74.34 H new ATOM 0 HB2 ARG A 39 -8.839 -2.742 -4.465 1.00 74.32 H new ATOM 0 HB3 ARG A 39 -8.446 -2.061 -6.031 1.00 74.32 H new ATOM 0 HG2 ARG A 39 -10.870 -1.629 -6.442 1.00 34.24 H new ATOM 0 HG3 ARG A 39 -11.249 -2.291 -4.864 1.00 34.24 H new ATOM 0 HD2 ARG A 39 -9.931 -0.508 -3.766 1.00 53.43 H new ATOM 0 HD3 ARG A 39 -9.456 0.131 -5.327 1.00 53.43 H new ATOM 0 HE ARG A 39 -12.246 0.088 -5.410 1.00 21.24 H new ATOM 0 HH11 ARG A 39 -9.817 1.557 -3.362 1.00 0.22 H new ATOM 0 HH12 ARG A 39 -10.863 2.923 -2.957 1.00 0.22 H new ATOM 0 HH21 ARG A 39 -13.510 1.801 -4.886 1.00 44.53 H new ATOM 0 HH22 ARG A 39 -12.905 3.057 -3.801 1.00 44.53 H new ATOM 602 N LEU A 40 -7.393 -5.069 -5.292 1.00 13.44 N ATOM 603 CA LEU A 40 -6.083 -5.730 -5.405 1.00 2.53 C ATOM 604 C LEU A 40 -6.171 -7.007 -6.250 1.00 61.14 C ATOM 605 O LEU A 40 -5.362 -7.224 -7.154 1.00 51.31 O ATOM 606 CB LEU A 40 -5.522 -6.065 -4.017 1.00 20.03 C ATOM 607 CG LEU A 40 -5.283 -4.862 -3.091 1.00 13.41 C ATOM 608 CD1 LEU A 40 -4.639 -5.311 -1.786 1.00 12.03 C ATOM 609 CD2 LEU A 40 -4.427 -3.806 -3.783 1.00 64.14 C ATOM 0 H LEU A 40 -7.723 -4.948 -4.335 1.00 13.44 H new ATOM 0 HA LEU A 40 -5.409 -5.033 -5.904 1.00 2.53 H new ATOM 0 HB2 LEU A 40 -6.210 -6.751 -3.522 1.00 20.03 H new ATOM 0 HB3 LEU A 40 -4.579 -6.596 -4.144 1.00 20.03 H new ATOM 0 HG LEU A 40 -6.249 -4.413 -2.859 1.00 13.41 H new ATOM 0 HD11 LEU A 40 -4.477 -4.446 -1.143 1.00 12.03 H new ATOM 0 HD12 LEU A 40 -5.295 -6.020 -1.282 1.00 12.03 H new ATOM 0 HD13 LEU A 40 -3.683 -5.789 -1.998 1.00 12.03 H new ATOM 0 HD21 LEU A 40 -4.271 -2.964 -3.108 1.00 64.14 H new ATOM 0 HD22 LEU A 40 -3.463 -4.238 -4.052 1.00 64.14 H new ATOM 0 HD23 LEU A 40 -4.934 -3.460 -4.684 1.00 64.14 H new ATOM 621 N ARG A 41 -7.160 -7.848 -5.949 1.00 11.22 N ATOM 622 CA ARG A 41 -7.390 -9.081 -6.706 1.00 24.10 C ATOM 623 C ARG A 41 -7.632 -8.780 -8.193 1.00 50.42 C ATOM 624 O ARG A 41 -7.045 -9.418 -9.071 1.00 45.32 O ATOM 625 CB ARG A 41 -8.592 -9.834 -6.127 1.00 60.31 C ATOM 626 CG ARG A 41 -8.874 -11.169 -6.808 1.00 62.54 C ATOM 627 CD ARG A 41 -10.111 -11.842 -6.229 1.00 42.44 C ATOM 628 NE ARG A 41 -11.304 -11.000 -6.350 1.00 61.34 N ATOM 629 CZ ARG A 41 -12.526 -11.460 -6.325 1.00 21.20 C ATOM 630 NH1 ARG A 41 -12.747 -12.731 -6.257 1.00 32.22 N ATOM 631 NH2 ARG A 41 -13.530 -10.646 -6.383 1.00 3.31 N ATOM 0 H ARG A 41 -7.818 -7.698 -5.184 1.00 11.22 H new ATOM 0 HA ARG A 41 -6.498 -9.702 -6.623 1.00 24.10 H new ATOM 0 HB2 ARG A 41 -8.421 -10.009 -5.065 1.00 60.31 H new ATOM 0 HB3 ARG A 41 -9.477 -9.202 -6.208 1.00 60.31 H new ATOM 0 HG2 ARG A 41 -9.012 -11.011 -7.878 1.00 62.54 H new ATOM 0 HG3 ARG A 41 -8.013 -11.827 -6.692 1.00 62.54 H new ATOM 0 HD2 ARG A 41 -10.282 -12.788 -6.742 1.00 42.44 H new ATOM 0 HD3 ARG A 41 -9.938 -12.076 -5.179 1.00 42.44 H new ATOM 0 HE ARG A 41 -11.172 -9.995 -6.460 1.00 61.34 H new ATOM 0 HH11 ARG A 41 -11.964 -13.384 -6.222 1.00 32.22 H new ATOM 0 HH12 ARG A 41 -13.705 -13.082 -6.238 1.00 32.22 H new ATOM 0 HH21 ARG A 41 -13.369 -9.641 -6.449 1.00 3.31 H new ATOM 0 HH22 ARG A 41 -14.483 -11.009 -6.363 1.00 3.31 H new ATOM 645 N ALA A 42 -8.499 -7.799 -8.463 1.00 51.20 N ATOM 646 CA ALA A 42 -8.815 -7.391 -9.836 1.00 11.12 C ATOM 647 C ALA A 42 -7.554 -6.955 -10.593 1.00 70.15 C ATOM 648 O ALA A 42 -7.335 -7.352 -11.734 1.00 41.14 O ATOM 649 CB ALA A 42 -9.848 -6.268 -9.831 1.00 60.14 C ATOM 0 H ALA A 42 -8.996 -7.271 -7.746 1.00 51.20 H new ATOM 0 HA ALA A 42 -9.234 -8.254 -10.354 1.00 11.12 H new ATOM 0 HB1 ALA A 42 -10.073 -5.976 -10.857 1.00 60.14 H new ATOM 0 HB2 ALA A 42 -10.760 -6.615 -9.345 1.00 60.14 H new ATOM 0 HB3 ALA A 42 -9.451 -5.410 -9.288 1.00 60.14 H new ATOM 655 N ILE A 43 -6.716 -6.151 -9.945 1.00 55.21 N ATOM 656 CA ILE A 43 -5.454 -5.707 -10.546 1.00 71.31 C ATOM 657 C ILE A 43 -4.487 -6.887 -10.750 1.00 14.12 C ATOM 658 O ILE A 43 -3.891 -7.044 -11.817 1.00 43.23 O ATOM 659 CB ILE A 43 -4.751 -4.641 -9.670 1.00 33.23 C ATOM 660 CG1 ILE A 43 -5.685 -3.448 -9.404 1.00 34.20 C ATOM 661 CG2 ILE A 43 -3.461 -4.176 -10.340 1.00 42.54 C ATOM 662 CD1 ILE A 43 -5.099 -2.414 -8.461 1.00 51.02 C ATOM 0 H ILE A 43 -6.884 -5.792 -9.005 1.00 55.21 H new ATOM 0 HA ILE A 43 -5.708 -5.270 -11.512 1.00 71.31 H new ATOM 0 HB ILE A 43 -4.502 -5.093 -8.710 1.00 33.23 H new ATOM 0 HG12 ILE A 43 -5.925 -2.967 -10.352 1.00 34.20 H new ATOM 0 HG13 ILE A 43 -6.622 -3.817 -8.987 1.00 34.20 H new ATOM 0 HG21 ILE A 43 -2.976 -3.427 -9.715 1.00 42.54 H new ATOM 0 HG22 ILE A 43 -2.792 -5.027 -10.472 1.00 42.54 H new ATOM 0 HG23 ILE A 43 -3.692 -3.742 -11.313 1.00 42.54 H new ATOM 0 HD11 ILE A 43 -5.814 -1.603 -8.321 1.00 51.02 H new ATOM 0 HD12 ILE A 43 -4.885 -2.879 -7.499 1.00 51.02 H new ATOM 0 HD13 ILE A 43 -4.177 -2.016 -8.885 1.00 51.02 H new ATOM 674 N ARG A 44 -4.350 -7.718 -9.720 1.00 53.14 N ATOM 675 CA ARG A 44 -3.408 -8.843 -9.736 1.00 43.54 C ATOM 676 C ARG A 44 -3.811 -9.900 -10.784 1.00 45.41 C ATOM 677 O ARG A 44 -2.967 -10.647 -11.283 1.00 63.15 O ATOM 678 CB ARG A 44 -3.300 -9.458 -8.323 1.00 14.12 C ATOM 679 CG ARG A 44 -1.991 -10.214 -8.063 1.00 22.44 C ATOM 680 CD ARG A 44 -2.073 -11.690 -8.433 1.00 62.30 C ATOM 681 NE ARG A 44 -2.841 -12.458 -7.453 1.00 74.10 N ATOM 682 CZ ARG A 44 -3.155 -13.713 -7.597 1.00 74.44 C ATOM 683 NH1 ARG A 44 -2.873 -14.344 -8.694 1.00 74.25 N ATOM 684 NH2 ARG A 44 -3.767 -14.337 -6.646 1.00 25.34 N ATOM 0 H ARG A 44 -4.883 -7.635 -8.854 1.00 53.14 H new ATOM 0 HA ARG A 44 -2.426 -8.470 -10.026 1.00 43.54 H new ATOM 0 HB2 ARG A 44 -3.400 -8.663 -7.584 1.00 14.12 H new ATOM 0 HB3 ARG A 44 -4.136 -10.140 -8.171 1.00 14.12 H new ATOM 0 HG2 ARG A 44 -1.188 -9.746 -8.633 1.00 22.44 H new ATOM 0 HG3 ARG A 44 -1.728 -10.123 -7.009 1.00 22.44 H new ATOM 0 HD2 ARG A 44 -2.533 -11.793 -9.416 1.00 62.30 H new ATOM 0 HD3 ARG A 44 -1.066 -12.102 -8.508 1.00 62.30 H new ATOM 0 HE ARG A 44 -3.149 -11.981 -6.606 1.00 74.10 H new ATOM 0 HH11 ARG A 44 -2.400 -13.857 -9.455 1.00 74.25 H new ATOM 0 HH12 ARG A 44 -3.124 -15.327 -8.796 1.00 74.25 H new ATOM 0 HH21 ARG A 44 -4.004 -13.846 -5.784 1.00 25.34 H new ATOM 0 HH22 ARG A 44 -4.014 -15.320 -6.757 1.00 25.34 H new ATOM 698 N SER A 45 -5.101 -9.965 -11.105 1.00 3.20 N ATOM 699 CA SER A 45 -5.600 -10.878 -12.148 1.00 34.33 C ATOM 700 C SER A 45 -5.639 -10.193 -13.529 1.00 34.04 C ATOM 701 O SER A 45 -5.058 -10.688 -14.495 1.00 22.24 O ATOM 702 CB SER A 45 -7.001 -11.390 -11.785 1.00 23.13 C ATOM 703 OG SER A 45 -7.460 -12.348 -12.726 1.00 12.53 O ATOM 0 H SER A 45 -5.825 -9.399 -10.662 1.00 3.20 H new ATOM 0 HA SER A 45 -4.910 -11.720 -12.204 1.00 34.33 H new ATOM 0 HB2 SER A 45 -6.981 -11.835 -10.790 1.00 23.13 H new ATOM 0 HB3 SER A 45 -7.698 -10.553 -11.746 1.00 23.13 H new ATOM 0 HG SER A 45 -8.353 -12.657 -12.468 1.00 12.53 H new ATOM 709 N SER A 46 -6.319 -9.046 -13.604 1.00 54.33 N ATOM 710 CA SER A 46 -6.475 -8.296 -14.868 1.00 74.01 C ATOM 711 C SER A 46 -5.149 -7.708 -15.363 1.00 70.20 C ATOM 712 O SER A 46 -4.709 -7.991 -16.480 1.00 35.13 O ATOM 713 CB SER A 46 -7.491 -7.155 -14.699 1.00 62.25 C ATOM 714 OG SER A 46 -7.670 -6.436 -15.914 1.00 53.44 O ATOM 0 H SER A 46 -6.775 -8.609 -12.803 1.00 54.33 H new ATOM 0 HA SER A 46 -6.833 -9.010 -15.610 1.00 74.01 H new ATOM 0 HB2 SER A 46 -8.447 -7.563 -14.371 1.00 62.25 H new ATOM 0 HB3 SER A 46 -7.150 -6.475 -13.919 1.00 62.25 H new ATOM 0 HG SER A 46 -8.323 -5.718 -15.776 1.00 53.44 H new ATOM 720 N HIS A 47 -4.528 -6.869 -14.536 1.00 24.01 N ATOM 721 CA HIS A 47 -3.266 -6.210 -14.900 1.00 52.03 C ATOM 722 C HIS A 47 -2.053 -7.089 -14.559 1.00 2.40 C ATOM 723 O HIS A 47 -0.929 -6.792 -14.963 1.00 61.14 O ATOM 724 CB HIS A 47 -3.147 -4.862 -14.177 1.00 63.01 C ATOM 725 CG HIS A 47 -4.206 -3.867 -14.557 1.00 3.24 C ATOM 726 ND1 HIS A 47 -4.105 -3.132 -15.708 1.00 44.34 N ATOM 727 CD2 HIS A 47 -5.348 -3.517 -13.911 1.00 24.03 C ATOM 728 CE1 HIS A 47 -5.171 -2.354 -15.744 1.00 54.25 C ATOM 729 NE2 HIS A 47 -5.957 -2.549 -14.677 1.00 44.00 N ATOM 0 H HIS A 47 -4.875 -6.627 -13.608 1.00 24.01 H new ATOM 0 HA HIS A 47 -3.276 -6.047 -15.978 1.00 52.03 H new ATOM 0 HB2 HIS A 47 -3.194 -5.033 -13.102 1.00 63.01 H new ATOM 0 HB3 HIS A 47 -2.168 -4.433 -14.389 1.00 63.01 H new ATOM 0 HD2 HIS A 47 -5.709 -3.920 -12.976 1.00 24.03 H new ATOM 0 HE1 HIS A 47 -5.383 -1.649 -16.534 1.00 54.25 H new ATOM 0 HE2 HIS A 47 -6.836 -2.073 -14.472 1.00 44.00 H new ATOM 737 N ALA A 48 -2.295 -8.161 -13.799 1.00 32.01 N ATOM 738 CA ALA A 48 -1.241 -9.099 -13.381 1.00 12.21 C ATOM 739 C ALA A 48 -0.213 -8.433 -12.451 1.00 4.31 C ATOM 740 O ALA A 48 0.928 -8.890 -12.332 1.00 2.40 O ATOM 741 CB ALA A 48 -0.556 -9.712 -14.602 1.00 4.53 C ATOM 0 H ALA A 48 -3.224 -8.405 -13.455 1.00 32.01 H new ATOM 0 HA ALA A 48 -1.718 -9.896 -12.811 1.00 12.21 H new ATOM 0 HB1 ALA A 48 0.221 -10.403 -14.275 1.00 4.53 H new ATOM 0 HB2 ALA A 48 -1.292 -10.250 -15.200 1.00 4.53 H new ATOM 0 HB3 ALA A 48 -0.108 -8.921 -15.203 1.00 4.53 H new ATOM 747 N VAL A 49 -0.634 -7.366 -11.777 1.00 12.52 N ATOM 748 CA VAL A 49 0.236 -6.626 -10.858 1.00 62.33 C ATOM 749 C VAL A 49 0.039 -7.081 -9.404 1.00 10.32 C ATOM 750 O VAL A 49 -1.050 -6.941 -8.842 1.00 4.33 O ATOM 751 CB VAL A 49 -0.029 -5.101 -10.945 1.00 12.04 C ATOM 752 CG1 VAL A 49 0.857 -4.332 -9.966 1.00 23.45 C ATOM 753 CG2 VAL A 49 0.166 -4.598 -12.375 1.00 73.24 C ATOM 0 H VAL A 49 -1.579 -6.990 -11.849 1.00 12.52 H new ATOM 0 HA VAL A 49 1.262 -6.836 -11.161 1.00 62.33 H new ATOM 0 HB VAL A 49 -1.067 -4.922 -10.663 1.00 12.04 H new ATOM 0 HG11 VAL A 49 0.650 -3.265 -10.049 1.00 23.45 H new ATOM 0 HG12 VAL A 49 0.649 -4.664 -8.949 1.00 23.45 H new ATOM 0 HG13 VAL A 49 1.905 -4.517 -10.201 1.00 23.45 H new ATOM 0 HG21 VAL A 49 -0.025 -3.526 -12.413 1.00 73.24 H new ATOM 0 HG22 VAL A 49 1.189 -4.796 -12.694 1.00 73.24 H new ATOM 0 HG23 VAL A 49 -0.527 -5.114 -13.040 1.00 73.24 H new ATOM 763 N GLU A 50 1.091 -7.629 -8.798 1.00 32.32 N ATOM 764 CA GLU A 50 1.037 -8.028 -7.391 1.00 72.23 C ATOM 765 C GLU A 50 1.057 -6.791 -6.482 1.00 71.41 C ATOM 766 O GLU A 50 2.117 -6.244 -6.176 1.00 22.53 O ATOM 767 CB GLU A 50 2.204 -8.962 -7.039 1.00 14.10 C ATOM 768 CG GLU A 50 2.231 -10.252 -7.850 1.00 33.54 C ATOM 769 CD GLU A 50 3.324 -11.206 -7.392 1.00 23.04 C ATOM 770 OE1 GLU A 50 4.483 -11.048 -7.836 1.00 44.55 O ATOM 771 OE2 GLU A 50 3.029 -12.118 -6.586 1.00 60.41 O ATOM 0 H GLU A 50 1.986 -7.806 -9.255 1.00 32.32 H new ATOM 0 HA GLU A 50 0.105 -8.569 -7.230 1.00 72.23 H new ATOM 0 HB2 GLU A 50 3.142 -8.429 -7.193 1.00 14.10 H new ATOM 0 HB3 GLU A 50 2.149 -9.212 -5.979 1.00 14.10 H new ATOM 0 HG2 GLU A 50 1.264 -10.748 -7.770 1.00 33.54 H new ATOM 0 HG3 GLU A 50 2.380 -10.012 -8.903 1.00 33.54 H new ATOM 778 N PHE A 51 -0.129 -6.358 -6.070 1.00 62.20 N ATOM 779 CA PHE A 51 -0.288 -5.178 -5.214 1.00 13.42 C ATOM 780 C PHE A 51 -0.604 -5.613 -3.772 1.00 10.31 C ATOM 781 O PHE A 51 -1.746 -5.932 -3.447 1.00 55.10 O ATOM 782 CB PHE A 51 -1.418 -4.298 -5.781 1.00 43.43 C ATOM 783 CG PHE A 51 -1.431 -2.857 -5.313 1.00 3.00 C ATOM 784 CD1 PHE A 51 -0.991 -2.493 -4.044 1.00 24.51 C ATOM 785 CD2 PHE A 51 -1.901 -1.860 -6.159 1.00 72.04 C ATOM 786 CE1 PHE A 51 -1.022 -1.171 -3.637 1.00 60.32 C ATOM 787 CE2 PHE A 51 -1.934 -0.541 -5.753 1.00 31.33 C ATOM 788 CZ PHE A 51 -1.495 -0.196 -4.493 1.00 31.20 C ATOM 0 H PHE A 51 -1.009 -6.811 -6.317 1.00 62.20 H new ATOM 0 HA PHE A 51 0.638 -4.603 -5.197 1.00 13.42 H new ATOM 0 HB2 PHE A 51 -1.348 -4.306 -6.869 1.00 43.43 H new ATOM 0 HB3 PHE A 51 -2.373 -4.754 -5.520 1.00 43.43 H new ATOM 0 HD1 PHE A 51 -0.621 -3.251 -3.369 1.00 24.51 H new ATOM 0 HD2 PHE A 51 -2.246 -2.121 -7.149 1.00 72.04 H new ATOM 0 HE1 PHE A 51 -0.676 -0.902 -2.650 1.00 60.32 H new ATOM 0 HE2 PHE A 51 -2.304 0.221 -6.423 1.00 31.33 H new ATOM 0 HZ PHE A 51 -1.521 0.836 -4.175 1.00 31.20 H new ATOM 798 N ALA A 52 0.415 -5.635 -2.916 1.00 12.52 N ATOM 799 CA ALA A 52 0.261 -6.134 -1.540 1.00 3.52 C ATOM 800 C ALA A 52 0.167 -4.989 -0.516 1.00 4.31 C ATOM 801 O ALA A 52 1.092 -4.186 -0.380 1.00 72.11 O ATOM 802 CB ALA A 52 1.424 -7.061 -1.192 1.00 52.44 C ATOM 0 H ALA A 52 1.356 -5.315 -3.144 1.00 12.52 H new ATOM 0 HA ALA A 52 -0.676 -6.688 -1.491 1.00 3.52 H new ATOM 0 HB1 ALA A 52 1.305 -7.427 -0.172 1.00 52.44 H new ATOM 0 HB2 ALA A 52 1.436 -7.905 -1.882 1.00 52.44 H new ATOM 0 HB3 ALA A 52 2.363 -6.513 -1.273 1.00 52.44 H new ATOM 808 N VAL A 53 -0.952 -4.926 0.208 1.00 64.31 N ATOM 809 CA VAL A 53 -1.167 -3.885 1.220 1.00 63.42 C ATOM 810 C VAL A 53 -1.005 -4.444 2.643 1.00 31.30 C ATOM 811 O VAL A 53 -1.823 -5.233 3.117 1.00 14.52 O ATOM 812 CB VAL A 53 -2.567 -3.229 1.079 1.00 15.42 C ATOM 813 CG1 VAL A 53 -2.790 -2.170 2.161 1.00 15.22 C ATOM 814 CG2 VAL A 53 -2.738 -2.623 -0.313 1.00 13.14 C ATOM 0 H VAL A 53 -1.726 -5.584 0.114 1.00 64.31 H new ATOM 0 HA VAL A 53 -0.406 -3.123 1.050 1.00 63.42 H new ATOM 0 HB VAL A 53 -3.319 -4.007 1.211 1.00 15.42 H new ATOM 0 HG11 VAL A 53 -3.778 -1.727 2.038 1.00 15.22 H new ATOM 0 HG12 VAL A 53 -2.720 -2.634 3.145 1.00 15.22 H new ATOM 0 HG13 VAL A 53 -2.031 -1.393 2.072 1.00 15.22 H new ATOM 0 HG21 VAL A 53 -3.725 -2.168 -0.393 1.00 13.14 H new ATOM 0 HG22 VAL A 53 -1.974 -1.863 -0.475 1.00 13.14 H new ATOM 0 HG23 VAL A 53 -2.637 -3.405 -1.065 1.00 13.14 H new ATOM 824 N VAL A 54 0.058 -4.023 3.318 1.00 42.12 N ATOM 825 CA VAL A 54 0.355 -4.466 4.680 1.00 52.31 C ATOM 826 C VAL A 54 0.069 -3.352 5.698 1.00 13.03 C ATOM 827 O VAL A 54 0.626 -2.259 5.605 1.00 20.22 O ATOM 828 CB VAL A 54 1.845 -4.884 4.806 1.00 1.10 C ATOM 829 CG1 VAL A 54 2.151 -5.412 6.206 1.00 10.42 C ATOM 830 CG2 VAL A 54 2.214 -5.915 3.740 1.00 53.53 C ATOM 0 H VAL A 54 0.740 -3.365 2.939 1.00 42.12 H new ATOM 0 HA VAL A 54 -0.288 -5.321 4.891 1.00 52.31 H new ATOM 0 HB VAL A 54 2.457 -3.997 4.643 1.00 1.10 H new ATOM 0 HG11 VAL A 54 3.201 -5.697 6.266 1.00 10.42 H new ATOM 0 HG12 VAL A 54 1.944 -4.635 6.941 1.00 10.42 H new ATOM 0 HG13 VAL A 54 1.527 -6.281 6.411 1.00 10.42 H new ATOM 0 HG21 VAL A 54 3.263 -6.192 3.849 1.00 53.53 H new ATOM 0 HG22 VAL A 54 1.590 -6.801 3.859 1.00 53.53 H new ATOM 0 HG23 VAL A 54 2.053 -5.488 2.750 1.00 53.53 H new ATOM 840 N THR A 55 -0.808 -3.624 6.664 1.00 74.34 N ATOM 841 CA THR A 55 -1.107 -2.649 7.726 1.00 30.52 C ATOM 842 C THR A 55 -0.474 -3.076 9.055 1.00 2.12 C ATOM 843 O THR A 55 -0.761 -4.159 9.573 1.00 23.03 O ATOM 844 CB THR A 55 -2.634 -2.463 7.938 1.00 41.51 C ATOM 845 OG1 THR A 55 -3.230 -3.682 8.418 1.00 22.42 O ATOM 846 CG2 THR A 55 -3.320 -2.032 6.643 1.00 1.53 C ATOM 0 H THR A 55 -1.323 -4.502 6.738 1.00 74.34 H new ATOM 0 HA THR A 55 -0.682 -1.700 7.400 1.00 30.52 H new ATOM 0 HB THR A 55 -2.772 -1.679 8.683 1.00 41.51 H new ATOM 0 HG1 THR A 55 -2.927 -4.433 7.867 1.00 22.42 H new ATOM 0 HG21 THR A 55 -4.388 -1.909 6.821 1.00 1.53 H new ATOM 0 HG22 THR A 55 -2.897 -1.086 6.305 1.00 1.53 H new ATOM 0 HG23 THR A 55 -3.164 -2.793 5.878 1.00 1.53 H new ATOM 854 N LEU A 56 0.375 -2.217 9.614 1.00 13.42 N ATOM 855 CA LEU A 56 1.068 -2.517 10.876 1.00 33.22 C ATOM 856 C LEU A 56 0.855 -1.404 11.916 1.00 13.13 C ATOM 857 O LEU A 56 0.872 -0.216 11.583 1.00 42.11 O ATOM 858 CB LEU A 56 2.569 -2.700 10.628 1.00 2.44 C ATOM 859 CG LEU A 56 2.945 -3.802 9.624 1.00 74.32 C ATOM 860 CD1 LEU A 56 4.450 -3.817 9.382 1.00 30.14 C ATOM 861 CD2 LEU A 56 2.470 -5.166 10.118 1.00 64.12 C ATOM 0 H LEU A 56 0.603 -1.306 9.217 1.00 13.42 H new ATOM 0 HA LEU A 56 0.645 -3.441 11.269 1.00 33.22 H new ATOM 0 HB2 LEU A 56 2.979 -1.754 10.273 1.00 2.44 H new ATOM 0 HB3 LEU A 56 3.053 -2.920 11.580 1.00 2.44 H new ATOM 0 HG LEU A 56 2.446 -3.586 8.679 1.00 74.32 H new ATOM 0 HD11 LEU A 56 4.696 -4.604 8.669 1.00 30.14 H new ATOM 0 HD12 LEU A 56 4.764 -2.853 8.982 1.00 30.14 H new ATOM 0 HD13 LEU A 56 4.968 -4.005 10.322 1.00 30.14 H new ATOM 0 HD21 LEU A 56 2.746 -5.932 9.393 1.00 64.12 H new ATOM 0 HD22 LEU A 56 2.938 -5.389 11.077 1.00 64.12 H new ATOM 0 HD23 LEU A 56 1.387 -5.153 10.237 1.00 64.12 H new ATOM 873 N PRO A 57 0.648 -1.773 13.195 1.00 24.15 N ATOM 874 CA PRO A 57 0.445 -0.793 14.274 1.00 51.31 C ATOM 875 C PRO A 57 1.694 0.073 14.540 1.00 43.45 C ATOM 876 O PRO A 57 1.636 1.296 14.457 1.00 11.44 O ATOM 877 CB PRO A 57 0.099 -1.666 15.492 1.00 24.00 C ATOM 878 CG PRO A 57 0.675 -3.006 15.182 1.00 14.33 C ATOM 879 CD PRO A 57 0.578 -3.164 13.689 1.00 21.43 C ATOM 0 HA PRO A 57 -0.332 -0.070 14.025 1.00 51.31 H new ATOM 0 HB2 PRO A 57 0.526 -1.255 16.407 1.00 24.00 H new ATOM 0 HB3 PRO A 57 -0.979 -1.725 15.642 1.00 24.00 H new ATOM 0 HG2 PRO A 57 1.711 -3.072 15.515 1.00 14.33 H new ATOM 0 HG3 PRO A 57 0.125 -3.795 15.694 1.00 14.33 H new ATOM 0 HD2 PRO A 57 1.392 -3.772 13.295 1.00 21.43 H new ATOM 0 HD3 PRO A 57 -0.353 -3.649 13.395 1.00 21.43 H new ATOM 887 N SER A 58 2.826 -0.567 14.837 1.00 50.21 N ATOM 888 CA SER A 58 4.068 0.159 15.151 1.00 74.10 C ATOM 889 C SER A 58 5.310 -0.579 14.633 1.00 14.23 C ATOM 890 O SER A 58 5.386 -1.805 14.703 1.00 25.04 O ATOM 891 CB SER A 58 4.201 0.363 16.669 1.00 63.40 C ATOM 892 OG SER A 58 4.238 -0.879 17.359 1.00 62.31 O ATOM 0 H SER A 58 2.913 -1.583 14.868 1.00 50.21 H new ATOM 0 HA SER A 58 4.008 1.125 14.650 1.00 74.10 H new ATOM 0 HB2 SER A 58 5.109 0.927 16.883 1.00 63.40 H new ATOM 0 HB3 SER A 58 3.363 0.958 17.032 1.00 63.40 H new ATOM 0 HG SER A 58 4.325 -0.716 18.321 1.00 62.31 H new ATOM 898 N ILE A 59 6.271 0.173 14.090 1.00 64.43 N ATOM 899 CA ILE A 59 7.582 -0.390 13.717 1.00 34.51 C ATOM 900 C ILE A 59 8.712 0.271 14.527 1.00 25.24 C ATOM 901 O ILE A 59 9.856 -0.187 14.515 1.00 73.35 O ATOM 902 CB ILE A 59 7.881 -0.234 12.200 1.00 50.03 C ATOM 903 CG1 ILE A 59 8.055 1.249 11.819 1.00 44.32 C ATOM 904 CG2 ILE A 59 6.771 -0.881 11.367 1.00 20.40 C ATOM 905 CD1 ILE A 59 8.485 1.469 10.379 1.00 24.12 C ATOM 0 H ILE A 59 6.172 1.170 13.897 1.00 64.43 H new ATOM 0 HA ILE A 59 7.538 -1.455 13.947 1.00 34.51 H new ATOM 0 HB ILE A 59 8.819 -0.746 11.984 1.00 50.03 H new ATOM 0 HG12 ILE A 59 7.113 1.771 11.990 1.00 44.32 H new ATOM 0 HG13 ILE A 59 8.794 1.700 12.481 1.00 44.32 H new ATOM 0 HG21 ILE A 59 6.996 -0.763 10.307 1.00 20.40 H new ATOM 0 HG22 ILE A 59 6.706 -1.942 11.608 1.00 20.40 H new ATOM 0 HG23 ILE A 59 5.819 -0.399 11.592 1.00 20.40 H new ATOM 0 HD11 ILE A 59 8.586 2.537 10.189 1.00 24.12 H new ATOM 0 HD12 ILE A 59 9.443 0.978 10.206 1.00 24.12 H new ATOM 0 HD13 ILE A 59 7.736 1.050 9.707 1.00 24.12 H new ATOM 917 N GLY A 60 8.376 1.354 15.231 1.00 0.30 N ATOM 918 CA GLY A 60 9.346 2.049 16.071 1.00 11.10 C ATOM 919 C GLY A 60 10.491 2.697 15.294 1.00 43.53 C ATOM 920 O GLY A 60 10.265 3.444 14.336 1.00 50.12 O ATOM 0 H GLY A 60 7.443 1.765 15.235 1.00 0.30 H new ATOM 0 HA2 GLY A 60 8.829 2.818 16.645 1.00 11.10 H new ATOM 0 HA3 GLY A 60 9.762 1.342 16.789 1.00 11.10 H new ATOM 924 N ASP A 61 11.725 2.398 15.702 1.00 14.13 N ATOM 925 CA ASP A 61 12.926 3.007 15.113 1.00 32.12 C ATOM 926 C ASP A 61 13.178 2.551 13.662 1.00 63.23 C ATOM 927 O ASP A 61 13.947 3.184 12.932 1.00 41.30 O ATOM 928 CB ASP A 61 14.147 2.678 15.983 1.00 31.22 C ATOM 929 CG ASP A 61 14.392 1.184 16.100 1.00 30.52 C ATOM 930 OD1 ASP A 61 13.760 0.540 16.964 1.00 34.31 O ATOM 931 OD2 ASP A 61 15.209 0.642 15.327 1.00 11.15 O ATOM 0 H ASP A 61 11.923 1.730 16.447 1.00 14.13 H new ATOM 0 HA ASP A 61 12.761 4.084 15.082 1.00 32.12 H new ATOM 0 HB2 ASP A 61 15.030 3.156 15.559 1.00 31.22 H new ATOM 0 HB3 ASP A 61 14.004 3.099 16.978 1.00 31.22 H new ATOM 936 N ALA A 62 12.531 1.459 13.256 1.00 43.14 N ATOM 937 CA ALA A 62 12.743 0.866 11.928 1.00 4.24 C ATOM 938 C ALA A 62 12.567 1.882 10.781 1.00 20.44 C ATOM 939 O ALA A 62 11.581 2.623 10.735 1.00 4.54 O ATOM 940 CB ALA A 62 11.800 -0.317 11.730 1.00 23.52 C ATOM 0 H ALA A 62 11.850 0.961 13.830 1.00 43.14 H new ATOM 0 HA ALA A 62 13.778 0.527 11.892 1.00 4.24 H new ATOM 0 HB1 ALA A 62 11.963 -0.751 10.744 1.00 23.52 H new ATOM 0 HB2 ALA A 62 11.995 -1.069 12.494 1.00 23.52 H new ATOM 0 HB3 ALA A 62 10.768 0.023 11.810 1.00 23.52 H new ATOM 946 N PRO A 63 13.541 1.940 9.847 1.00 13.12 N ATOM 947 CA PRO A 63 13.441 2.783 8.642 1.00 44.33 C ATOM 948 C PRO A 63 12.424 2.227 7.631 1.00 61.15 C ATOM 949 O PRO A 63 12.434 1.035 7.312 1.00 25.15 O ATOM 950 CB PRO A 63 14.863 2.748 8.072 1.00 70.53 C ATOM 951 CG PRO A 63 15.422 1.447 8.540 1.00 0.01 C ATOM 952 CD PRO A 63 14.819 1.202 9.898 1.00 14.01 C ATOM 0 HA PRO A 63 13.089 3.790 8.865 1.00 44.33 H new ATOM 0 HB2 PRO A 63 14.856 2.808 6.984 1.00 70.53 H new ATOM 0 HB3 PRO A 63 15.456 3.588 8.434 1.00 70.53 H new ATOM 0 HG2 PRO A 63 15.169 0.642 7.850 1.00 0.01 H new ATOM 0 HG3 PRO A 63 16.510 1.487 8.597 1.00 0.01 H new ATOM 0 HD2 PRO A 63 14.661 0.139 10.081 1.00 14.01 H new ATOM 0 HD3 PRO A 63 15.464 1.571 10.696 1.00 14.01 H new ATOM 960 N LEU A 64 11.562 3.100 7.117 1.00 22.03 N ATOM 961 CA LEU A 64 10.431 2.680 6.282 1.00 22.34 C ATOM 962 C LEU A 64 10.872 1.967 4.987 1.00 12.24 C ATOM 963 O LEU A 64 10.356 0.897 4.657 1.00 71.01 O ATOM 964 CB LEU A 64 9.550 3.892 5.946 1.00 71.20 C ATOM 965 CG LEU A 64 8.247 3.574 5.190 1.00 71.12 C ATOM 966 CD1 LEU A 64 7.393 2.570 5.968 1.00 42.50 C ATOM 967 CD2 LEU A 64 7.460 4.855 4.918 1.00 73.41 C ATOM 0 H LEU A 64 11.622 4.108 7.263 1.00 22.03 H new ATOM 0 HA LEU A 64 9.860 1.954 6.861 1.00 22.34 H new ATOM 0 HB2 LEU A 64 9.296 4.403 6.875 1.00 71.20 H new ATOM 0 HB3 LEU A 64 10.136 4.590 5.348 1.00 71.20 H new ATOM 0 HG LEU A 64 8.511 3.121 4.234 1.00 71.12 H new ATOM 0 HD11 LEU A 64 6.479 2.363 5.412 1.00 42.50 H new ATOM 0 HD12 LEU A 64 7.953 1.645 6.104 1.00 42.50 H new ATOM 0 HD13 LEU A 64 7.139 2.987 6.943 1.00 42.50 H new ATOM 0 HD21 LEU A 64 6.542 4.611 4.383 1.00 73.41 H new ATOM 0 HD22 LEU A 64 7.212 5.337 5.863 1.00 73.41 H new ATOM 0 HD23 LEU A 64 8.064 5.532 4.313 1.00 73.41 H new ATOM 979 N GLU A 65 11.827 2.550 4.257 1.00 34.21 N ATOM 980 CA GLU A 65 12.250 1.993 2.961 1.00 73.33 C ATOM 981 C GLU A 65 12.974 0.644 3.124 1.00 51.25 C ATOM 982 O GLU A 65 12.694 -0.311 2.397 1.00 60.11 O ATOM 983 CB GLU A 65 13.145 2.987 2.209 1.00 31.32 C ATOM 984 CG GLU A 65 13.549 2.516 0.815 1.00 51.23 C ATOM 985 CD GLU A 65 14.436 3.513 0.090 1.00 42.45 C ATOM 986 OE1 GLU A 65 15.677 3.426 0.230 1.00 45.54 O ATOM 987 OE2 GLU A 65 13.897 4.387 -0.628 1.00 11.50 O ATOM 0 H GLU A 65 12.320 3.399 4.534 1.00 34.21 H new ATOM 0 HA GLU A 65 11.347 1.816 2.377 1.00 73.33 H new ATOM 0 HB2 GLU A 65 12.623 3.940 2.124 1.00 31.32 H new ATOM 0 HB3 GLU A 65 14.045 3.168 2.797 1.00 31.32 H new ATOM 0 HG2 GLU A 65 14.072 1.563 0.896 1.00 51.23 H new ATOM 0 HG3 GLU A 65 12.652 2.337 0.223 1.00 51.23 H new ATOM 994 N ASP A 66 13.903 0.567 4.074 1.00 33.11 N ATOM 995 CA ASP A 66 14.597 -0.694 4.363 1.00 32.13 C ATOM 996 C ASP A 66 13.605 -1.769 4.834 1.00 10.44 C ATOM 997 O ASP A 66 13.734 -2.946 4.490 1.00 55.14 O ATOM 998 CB ASP A 66 15.682 -0.480 5.423 1.00 24.10 C ATOM 999 CG ASP A 66 16.792 0.434 4.940 1.00 61.01 C ATOM 1000 OD1 ASP A 66 17.596 0.001 4.088 1.00 41.23 O ATOM 1001 OD2 ASP A 66 16.875 1.586 5.416 1.00 34.12 O ATOM 0 H ASP A 66 14.194 1.354 4.655 1.00 33.11 H new ATOM 0 HA ASP A 66 15.068 -1.038 3.442 1.00 32.13 H new ATOM 0 HB2 ASP A 66 15.231 -0.056 6.320 1.00 24.10 H new ATOM 0 HB3 ASP A 66 16.106 -1.444 5.705 1.00 24.10 H new ATOM 1006 N PHE A 67 12.614 -1.349 5.621 1.00 62.41 N ATOM 1007 CA PHE A 67 11.561 -2.248 6.101 1.00 12.13 C ATOM 1008 C PHE A 67 10.809 -2.897 4.924 1.00 32.31 C ATOM 1009 O PHE A 67 10.635 -4.119 4.881 1.00 60.34 O ATOM 1010 CB PHE A 67 10.579 -1.464 6.988 1.00 70.53 C ATOM 1011 CG PHE A 67 9.615 -2.325 7.766 1.00 52.13 C ATOM 1012 CD1 PHE A 67 8.507 -2.893 7.153 1.00 72.34 C ATOM 1013 CD2 PHE A 67 9.819 -2.563 9.118 1.00 31.33 C ATOM 1014 CE1 PHE A 67 7.627 -3.679 7.870 1.00 44.02 C ATOM 1015 CE2 PHE A 67 8.941 -3.346 9.839 1.00 31.24 C ATOM 1016 CZ PHE A 67 7.844 -3.906 9.215 1.00 53.14 C ATOM 0 H PHE A 67 12.517 -0.386 5.942 1.00 62.41 H new ATOM 0 HA PHE A 67 12.024 -3.044 6.685 1.00 12.13 H new ATOM 0 HB2 PHE A 67 11.149 -0.855 7.689 1.00 70.53 H new ATOM 0 HB3 PHE A 67 10.009 -0.779 6.360 1.00 70.53 H new ATOM 0 HD1 PHE A 67 8.331 -2.718 6.102 1.00 72.34 H new ATOM 0 HD2 PHE A 67 10.676 -2.130 9.612 1.00 31.33 H new ATOM 0 HE1 PHE A 67 6.770 -4.116 7.380 1.00 44.02 H new ATOM 0 HE2 PHE A 67 9.112 -3.521 10.891 1.00 31.24 H new ATOM 0 HZ PHE A 67 7.157 -4.520 9.778 1.00 53.14 H new ATOM 1026 N THR A 68 10.368 -2.074 3.970 1.00 63.33 N ATOM 1027 CA THR A 68 9.629 -2.572 2.801 1.00 31.35 C ATOM 1028 C THR A 68 10.495 -3.507 1.952 1.00 42.10 C ATOM 1029 O THR A 68 10.064 -4.602 1.599 1.00 43.22 O ATOM 1030 CB THR A 68 9.100 -1.427 1.902 1.00 24.02 C ATOM 1031 OG1 THR A 68 10.189 -0.651 1.383 1.00 4.12 O ATOM 1032 CG2 THR A 68 8.148 -0.521 2.673 1.00 54.10 C ATOM 0 H THR A 68 10.507 -1.064 3.981 1.00 63.33 H new ATOM 0 HA THR A 68 8.776 -3.121 3.200 1.00 31.35 H new ATOM 0 HB THR A 68 8.556 -1.880 1.073 1.00 24.02 H new ATOM 0 HG1 THR A 68 10.437 -0.988 0.497 1.00 4.12 H new ATOM 0 HG21 THR A 68 7.792 0.274 2.018 1.00 54.10 H new ATOM 0 HG22 THR A 68 7.299 -1.105 3.030 1.00 54.10 H new ATOM 0 HG23 THR A 68 8.671 -0.083 3.523 1.00 54.10 H new ATOM 1040 N LEU A 69 11.723 -3.078 1.647 1.00 0.11 N ATOM 1041 CA LEU A 69 12.661 -3.900 0.868 1.00 12.13 C ATOM 1042 C LEU A 69 12.861 -5.281 1.516 1.00 11.31 C ATOM 1043 O LEU A 69 12.808 -6.312 0.845 1.00 33.41 O ATOM 1044 CB LEU A 69 14.011 -3.179 0.728 1.00 64.34 C ATOM 1045 CG LEU A 69 15.062 -3.906 -0.134 1.00 12.21 C ATOM 1046 CD1 LEU A 69 14.564 -4.079 -1.569 1.00 50.22 C ATOM 1047 CD2 LEU A 69 16.392 -3.155 -0.112 1.00 22.31 C ATOM 0 H LEU A 69 12.093 -2.169 1.926 1.00 0.11 H new ATOM 0 HA LEU A 69 12.234 -4.050 -0.123 1.00 12.13 H new ATOM 0 HB2 LEU A 69 13.834 -2.192 0.300 1.00 64.34 H new ATOM 0 HB3 LEU A 69 14.426 -3.025 1.724 1.00 64.34 H new ATOM 0 HG LEU A 69 15.222 -4.897 0.291 1.00 12.21 H new ATOM 0 HD11 LEU A 69 15.323 -4.594 -2.158 1.00 50.22 H new ATOM 0 HD12 LEU A 69 13.646 -4.666 -1.567 1.00 50.22 H new ATOM 0 HD13 LEU A 69 14.368 -3.100 -2.007 1.00 50.22 H new ATOM 0 HD21 LEU A 69 17.119 -3.685 -0.727 1.00 22.31 H new ATOM 0 HD22 LEU A 69 16.248 -2.149 -0.506 1.00 22.31 H new ATOM 0 HD23 LEU A 69 16.759 -3.094 0.913 1.00 22.31 H new ATOM 1059 N LYS A 70 13.082 -5.290 2.829 1.00 21.51 N ATOM 1060 CA LYS A 70 13.194 -6.538 3.596 1.00 11.13 C ATOM 1061 C LYS A 70 11.962 -7.439 3.398 1.00 34.31 C ATOM 1062 O LYS A 70 12.087 -8.632 3.105 1.00 54.12 O ATOM 1063 CB LYS A 70 13.357 -6.219 5.090 1.00 15.11 C ATOM 1064 CG LYS A 70 14.769 -5.821 5.511 1.00 65.42 C ATOM 1065 CD LYS A 70 15.703 -7.025 5.569 1.00 23.33 C ATOM 1066 CE LYS A 70 15.241 -8.065 6.591 1.00 64.53 C ATOM 1067 NZ LYS A 70 15.245 -7.542 7.987 1.00 34.41 N ATOM 0 H LYS A 70 13.188 -4.445 3.390 1.00 21.51 H new ATOM 0 HA LYS A 70 14.070 -7.074 3.230 1.00 11.13 H new ATOM 0 HB2 LYS A 70 12.674 -5.410 5.351 1.00 15.11 H new ATOM 0 HB3 LYS A 70 13.053 -7.092 5.668 1.00 15.11 H new ATOM 0 HG2 LYS A 70 15.165 -5.088 4.808 1.00 65.42 H new ATOM 0 HG3 LYS A 70 14.735 -5.340 6.489 1.00 65.42 H new ATOM 0 HD2 LYS A 70 15.760 -7.487 4.583 1.00 23.33 H new ATOM 0 HD3 LYS A 70 16.709 -6.691 5.823 1.00 23.33 H new ATOM 0 HE2 LYS A 70 14.235 -8.398 6.335 1.00 64.53 H new ATOM 0 HE3 LYS A 70 15.890 -8.939 6.533 1.00 64.53 H new ATOM 0 HZ1 LYS A 70 15.106 -8.329 8.653 1.00 34.41 H new ATOM 0 HZ2 LYS A 70 16.156 -7.080 8.182 1.00 34.41 H new ATOM 0 HZ3 LYS A 70 14.475 -6.852 8.101 1.00 34.41 H new ATOM 1081 N LEU A 71 10.778 -6.853 3.556 1.00 64.14 N ATOM 1082 CA LEU A 71 9.514 -7.592 3.451 1.00 24.43 C ATOM 1083 C LEU A 71 9.253 -8.069 2.010 1.00 11.44 C ATOM 1084 O LEU A 71 8.735 -9.164 1.786 1.00 15.42 O ATOM 1085 CB LEU A 71 8.360 -6.701 3.935 1.00 11.40 C ATOM 1086 CG LEU A 71 6.999 -7.399 4.092 1.00 44.42 C ATOM 1087 CD1 LEU A 71 7.073 -8.498 5.150 1.00 22.14 C ATOM 1088 CD2 LEU A 71 5.909 -6.386 4.440 1.00 74.22 C ATOM 0 H LEU A 71 10.663 -5.860 3.759 1.00 64.14 H new ATOM 0 HA LEU A 71 9.582 -8.479 4.081 1.00 24.43 H new ATOM 0 HB2 LEU A 71 8.638 -6.268 4.896 1.00 11.40 H new ATOM 0 HB3 LEU A 71 8.245 -5.874 3.234 1.00 11.40 H new ATOM 0 HG LEU A 71 6.742 -7.862 3.139 1.00 44.42 H new ATOM 0 HD11 LEU A 71 6.099 -8.978 5.244 1.00 22.14 H new ATOM 0 HD12 LEU A 71 7.816 -9.239 4.854 1.00 22.14 H new ATOM 0 HD13 LEU A 71 7.357 -8.062 6.108 1.00 22.14 H new ATOM 0 HD21 LEU A 71 4.954 -6.901 4.547 1.00 74.22 H new ATOM 0 HD22 LEU A 71 6.160 -5.889 5.377 1.00 74.22 H new ATOM 0 HD23 LEU A 71 5.834 -5.644 3.645 1.00 74.22 H new ATOM 1100 N ALA A 72 9.631 -7.246 1.038 1.00 42.24 N ATOM 1101 CA ALA A 72 9.429 -7.568 -0.377 1.00 3.45 C ATOM 1102 C ALA A 72 10.308 -8.751 -0.825 1.00 21.51 C ATOM 1103 O ALA A 72 9.861 -9.617 -1.581 1.00 51.13 O ATOM 1104 CB ALA A 72 9.695 -6.334 -1.239 1.00 55.40 C ATOM 0 H ALA A 72 10.082 -6.346 1.202 1.00 42.24 H new ATOM 0 HA ALA A 72 8.391 -7.873 -0.508 1.00 3.45 H new ATOM 0 HB1 ALA A 72 9.542 -6.584 -2.289 1.00 55.40 H new ATOM 0 HB2 ALA A 72 9.010 -5.536 -0.953 1.00 55.40 H new ATOM 0 HB3 ALA A 72 10.722 -6.001 -1.091 1.00 55.40 H new ATOM 1110 N ARG A 73 11.556 -8.788 -0.344 1.00 30.51 N ATOM 1111 CA ARG A 73 12.494 -9.875 -0.683 1.00 14.45 C ATOM 1112 C ARG A 73 11.939 -11.256 -0.303 1.00 73.23 C ATOM 1113 O ARG A 73 11.845 -12.153 -1.143 1.00 73.55 O ATOM 1114 CB ARG A 73 13.845 -9.659 0.014 1.00 13.03 C ATOM 1115 CG ARG A 73 14.604 -8.426 -0.468 1.00 54.15 C ATOM 1116 CD ARG A 73 15.916 -8.237 0.291 1.00 44.31 C ATOM 1117 NE ARG A 73 16.842 -9.358 0.093 1.00 40.41 N ATOM 1118 CZ ARG A 73 17.213 -10.186 1.037 1.00 71.31 C ATOM 1119 NH1 ARG A 73 16.765 -10.052 2.242 1.00 15.05 N ATOM 1120 NH2 ARG A 73 18.045 -11.142 0.777 1.00 33.45 N ATOM 0 H ARG A 73 11.943 -8.081 0.281 1.00 30.51 H new ATOM 0 HA ARG A 73 12.630 -9.850 -1.764 1.00 14.45 H new ATOM 0 HB2 ARG A 73 13.678 -9.573 1.088 1.00 13.03 H new ATOM 0 HB3 ARG A 73 14.468 -10.540 -0.142 1.00 13.03 H new ATOM 0 HG2 ARG A 73 14.811 -8.520 -1.534 1.00 54.15 H new ATOM 0 HG3 ARG A 73 13.980 -7.542 -0.341 1.00 54.15 H new ATOM 0 HD2 ARG A 73 16.393 -7.313 -0.037 1.00 44.31 H new ATOM 0 HD3 ARG A 73 15.705 -8.127 1.355 1.00 44.31 H new ATOM 0 HE ARG A 73 17.222 -9.502 -0.843 1.00 40.41 H new ATOM 0 HH11 ARG A 73 16.117 -9.296 2.464 1.00 15.05 H new ATOM 0 HH12 ARG A 73 17.060 -10.702 2.971 1.00 15.05 H new ATOM 0 HH21 ARG A 73 18.415 -11.253 -0.167 1.00 33.45 H new ATOM 0 HH22 ARG A 73 18.331 -11.784 1.516 1.00 33.45 H new ATOM 1134 N GLN A 74 11.549 -11.415 0.962 1.00 24.44 N ATOM 1135 CA GLN A 74 11.044 -12.702 1.467 1.00 32.51 C ATOM 1136 C GLN A 74 9.731 -13.124 0.784 1.00 55.13 C ATOM 1137 O GLN A 74 9.384 -14.305 0.765 1.00 32.52 O ATOM 1138 CB GLN A 74 10.848 -12.641 2.988 1.00 43.31 C ATOM 1139 CG GLN A 74 9.998 -11.465 3.453 1.00 73.02 C ATOM 1140 CD GLN A 74 9.615 -11.555 4.920 1.00 73.31 C ATOM 1141 OE1 GLN A 74 10.454 -11.043 5.794 1.00 75.41 O flip ATOM 1142 NE2 GLN A 74 8.575 -12.104 5.269 1.00 42.12 N flip ATOM 0 H GLN A 74 11.571 -10.671 1.660 1.00 24.44 H new ATOM 0 HA GLN A 74 11.795 -13.455 1.227 1.00 32.51 H new ATOM 0 HB2 GLN A 74 10.382 -13.568 3.322 1.00 43.31 H new ATOM 0 HB3 GLN A 74 11.825 -12.584 3.469 1.00 43.31 H new ATOM 0 HG2 GLN A 74 10.545 -10.538 3.282 1.00 73.02 H new ATOM 0 HG3 GLN A 74 9.092 -11.417 2.849 1.00 73.02 H new ATOM 0 HE21 GLN A 74 7.943 -12.492 4.569 1.00 42.12 H new ATOM 0 HE22 GLN A 74 8.342 -12.172 6.260 1.00 42.12 H new ATOM 1151 N TRP A 75 8.996 -12.155 0.239 1.00 33.02 N ATOM 1152 CA TRP A 75 7.741 -12.444 -0.469 1.00 64.31 C ATOM 1153 C TRP A 75 7.969 -12.644 -1.980 1.00 24.52 C ATOM 1154 O TRP A 75 7.100 -13.163 -2.684 1.00 61.13 O ATOM 1155 CB TRP A 75 6.725 -11.312 -0.237 1.00 71.04 C ATOM 1156 CG TRP A 75 6.236 -11.209 1.182 1.00 20.31 C ATOM 1157 CD1 TRP A 75 6.731 -11.863 2.275 1.00 52.54 C ATOM 1158 CD2 TRP A 75 5.151 -10.402 1.660 1.00 42.23 C ATOM 1159 NE1 TRP A 75 6.026 -11.511 3.396 1.00 22.31 N ATOM 1160 CE2 TRP A 75 5.052 -10.618 3.046 1.00 74.51 C ATOM 1161 CE3 TRP A 75 4.258 -9.515 1.054 1.00 65.53 C ATOM 1162 CZ2 TRP A 75 4.095 -9.988 3.833 1.00 54.21 C ATOM 1163 CZ3 TRP A 75 3.307 -8.890 1.836 1.00 71.11 C ATOM 1164 CH2 TRP A 75 3.234 -9.128 3.214 1.00 54.12 C ATOM 0 H TRP A 75 9.243 -11.166 0.272 1.00 33.02 H new ATOM 0 HA TRP A 75 7.345 -13.376 -0.065 1.00 64.31 H new ATOM 0 HB2 TRP A 75 7.181 -10.364 -0.523 1.00 71.04 H new ATOM 0 HB3 TRP A 75 5.870 -11.465 -0.895 1.00 71.04 H new ATOM 0 HD1 TRP A 75 7.558 -12.557 2.258 1.00 52.54 H new ATOM 0 HE1 TRP A 75 6.200 -11.859 4.339 1.00 22.31 H new ATOM 0 HE3 TRP A 75 4.311 -9.322 -0.007 1.00 65.53 H new ATOM 0 HZ2 TRP A 75 4.035 -10.172 4.895 1.00 54.21 H new ATOM 0 HZ3 TRP A 75 2.608 -8.206 1.377 1.00 71.11 H new ATOM 0 HH2 TRP A 75 2.481 -8.621 3.799 1.00 54.12 H new ATOM 1175 N GLY A 76 9.139 -12.231 -2.472 1.00 12.20 N ATOM 1176 CA GLY A 76 9.444 -12.343 -3.899 1.00 55.21 C ATOM 1177 C GLY A 76 8.713 -11.307 -4.752 1.00 33.13 C ATOM 1178 O GLY A 76 8.405 -11.553 -5.918 1.00 20.55 O ATOM 0 H GLY A 76 9.884 -11.820 -1.909 1.00 12.20 H new ATOM 0 HA2 GLY A 76 10.518 -12.232 -4.044 1.00 55.21 H new ATOM 0 HA3 GLY A 76 9.178 -13.342 -4.244 1.00 55.21 H new ATOM 1182 N VAL A 77 8.442 -10.141 -4.163 1.00 2.30 N ATOM 1183 CA VAL A 77 7.711 -9.051 -4.837 1.00 74.20 C ATOM 1184 C VAL A 77 8.428 -7.708 -4.583 1.00 4.24 C ATOM 1185 O VAL A 77 9.452 -7.681 -3.909 1.00 54.14 O ATOM 1186 CB VAL A 77 6.245 -8.953 -4.311 1.00 10.31 C ATOM 1187 CG1 VAL A 77 5.361 -8.142 -5.259 1.00 52.32 C ATOM 1188 CG2 VAL A 77 5.653 -10.339 -4.075 1.00 63.43 C ATOM 0 H VAL A 77 8.720 -9.920 -3.207 1.00 2.30 H new ATOM 0 HA VAL A 77 7.688 -9.267 -5.905 1.00 74.20 H new ATOM 0 HB VAL A 77 6.277 -8.428 -3.356 1.00 10.31 H new ATOM 0 HG11 VAL A 77 4.348 -8.095 -4.861 1.00 52.32 H new ATOM 0 HG12 VAL A 77 5.761 -7.132 -5.355 1.00 52.32 H new ATOM 0 HG13 VAL A 77 5.344 -8.620 -6.239 1.00 52.32 H new ATOM 0 HG21 VAL A 77 4.631 -10.241 -3.709 1.00 63.43 H new ATOM 0 HG22 VAL A 77 5.651 -10.898 -5.011 1.00 63.43 H new ATOM 0 HG23 VAL A 77 6.253 -10.870 -3.336 1.00 63.43 H new ATOM 1256 N ASN A 82 11.748 -6.465 -9.337 1.00 71.14 N ATOM 1257 CA ASN A 82 10.597 -7.359 -9.538 1.00 14.44 C ATOM 1258 C ASN A 82 9.650 -6.853 -10.640 1.00 74.54 C ATOM 1259 O ASN A 82 9.327 -5.664 -10.712 1.00 74.24 O ATOM 1260 CB ASN A 82 9.824 -7.518 -8.233 1.00 45.03 C ATOM 1261 CG ASN A 82 10.415 -8.582 -7.330 1.00 31.41 C ATOM 1262 OD1 ASN A 82 9.835 -9.763 -7.355 1.00 12.12 O flip ATOM 1263 ND2 ASN A 82 11.368 -8.342 -6.599 1.00 50.41 N flip ATOM 0 HA ASN A 82 10.991 -8.324 -9.858 1.00 14.44 H new ATOM 0 HB2 ASN A 82 9.811 -6.565 -7.705 1.00 45.03 H new ATOM 0 HB3 ASN A 82 8.788 -7.772 -8.458 1.00 45.03 H new ATOM 0 HD21 ASN A 82 11.794 -7.415 -6.604 1.00 50.41 H new ATOM 0 HD22 ASN A 82 11.735 -9.069 -5.985 1.00 50.41 H new ATOM 1270 N ASN A 83 9.197 -7.765 -11.494 1.00 30.11 N ATOM 1271 CA ASN A 83 8.229 -7.425 -12.542 1.00 32.32 C ATOM 1272 C ASN A 83 6.780 -7.445 -12.007 1.00 11.32 C ATOM 1273 O ASN A 83 6.400 -8.341 -11.262 1.00 4.34 O ATOM 1274 CB ASN A 83 8.383 -8.368 -13.746 1.00 34.14 C ATOM 1275 CG ASN A 83 8.599 -9.829 -13.363 1.00 52.40 C ATOM 1276 OD1 ASN A 83 9.224 -10.581 -14.102 1.00 62.13 O ATOM 1277 ND2 ASN A 83 8.105 -10.246 -12.210 1.00 54.31 N ATOM 0 H ASN A 83 9.481 -8.745 -11.485 1.00 30.11 H new ATOM 0 HA ASN A 83 8.440 -6.407 -12.871 1.00 32.32 H new ATOM 0 HB2 ASN A 83 7.492 -8.294 -14.369 1.00 34.14 H new ATOM 0 HB3 ASN A 83 9.225 -8.033 -14.352 1.00 34.14 H new ATOM 0 HD21 ASN A 83 8.240 -11.214 -11.917 1.00 54.31 H new ATOM 0 HD22 ASN A 83 7.588 -9.600 -11.613 1.00 54.31 H new ATOM 1284 N ASN A 84 5.990 -6.435 -12.382 1.00 3.25 N ATOM 1285 CA ASN A 84 4.589 -6.307 -11.927 1.00 31.11 C ATOM 1286 C ASN A 84 4.445 -6.389 -10.394 1.00 52.32 C ATOM 1287 O ASN A 84 3.367 -6.682 -9.881 1.00 61.13 O ATOM 1288 CB ASN A 84 3.716 -7.380 -12.583 1.00 42.52 C ATOM 1289 CG ASN A 84 3.696 -7.278 -14.094 1.00 4.34 C ATOM 1290 OD1 ASN A 84 4.685 -6.912 -14.720 1.00 61.31 O ATOM 1291 ND2 ASN A 84 2.566 -7.594 -14.691 1.00 44.42 N ATOM 0 H ASN A 84 6.293 -5.685 -13.004 1.00 3.25 H new ATOM 0 HA ASN A 84 4.254 -5.315 -12.231 1.00 31.11 H new ATOM 0 HB2 ASN A 84 4.082 -8.366 -12.295 1.00 42.52 H new ATOM 0 HB3 ASN A 84 2.697 -7.295 -12.204 1.00 42.52 H new ATOM 0 HD21 ASN A 84 2.493 -7.538 -15.707 1.00 44.42 H new ATOM 0 HD22 ASN A 84 1.764 -7.895 -14.138 1.00 44.42 H new ATOM 1298 N GLY A 85 5.526 -6.111 -9.671 1.00 51.34 N ATOM 1299 CA GLY A 85 5.502 -6.190 -8.214 1.00 33.35 C ATOM 1300 C GLY A 85 5.382 -4.827 -7.541 1.00 14.33 C ATOM 1301 O GLY A 85 6.144 -3.907 -7.851 1.00 53.40 O ATOM 0 H GLY A 85 6.423 -5.831 -10.067 1.00 51.34 H new ATOM 0 HA2 GLY A 85 4.665 -6.816 -7.904 1.00 33.35 H new ATOM 0 HA3 GLY A 85 6.412 -6.680 -7.868 1.00 33.35 H new ATOM 1305 N LEU A 86 4.429 -4.701 -6.618 1.00 64.42 N ATOM 1306 CA LEU A 86 4.221 -3.455 -5.871 1.00 75.10 C ATOM 1307 C LEU A 86 3.843 -3.734 -4.406 1.00 53.11 C ATOM 1308 O LEU A 86 2.829 -4.373 -4.119 1.00 25.22 O ATOM 1309 CB LEU A 86 3.134 -2.608 -6.554 1.00 13.51 C ATOM 1310 CG LEU A 86 2.715 -1.323 -5.813 1.00 4.23 C ATOM 1311 CD1 LEU A 86 3.922 -0.428 -5.536 1.00 52.31 C ATOM 1312 CD2 LEU A 86 1.655 -0.569 -6.613 1.00 62.01 C ATOM 0 H LEU A 86 3.784 -5.450 -6.367 1.00 64.42 H new ATOM 0 HA LEU A 86 5.159 -2.900 -5.870 1.00 75.10 H new ATOM 0 HB2 LEU A 86 3.487 -2.332 -7.548 1.00 13.51 H new ATOM 0 HB3 LEU A 86 2.249 -3.230 -6.691 1.00 13.51 H new ATOM 0 HG LEU A 86 2.286 -1.610 -4.853 1.00 4.23 H new ATOM 0 HD11 LEU A 86 3.596 0.471 -5.013 1.00 52.31 H new ATOM 0 HD12 LEU A 86 4.641 -0.967 -4.919 1.00 52.31 H new ATOM 0 HD13 LEU A 86 4.392 -0.148 -6.479 1.00 52.31 H new ATOM 0 HD21 LEU A 86 1.370 0.336 -6.077 1.00 62.01 H new ATOM 0 HD22 LEU A 86 2.059 -0.300 -7.589 1.00 62.01 H new ATOM 0 HD23 LEU A 86 0.779 -1.204 -6.745 1.00 62.01 H new ATOM 1324 N LEU A 87 4.670 -3.253 -3.480 1.00 51.10 N ATOM 1325 CA LEU A 87 4.410 -3.415 -2.043 1.00 73.43 C ATOM 1326 C LEU A 87 3.974 -2.086 -1.401 1.00 63.10 C ATOM 1327 O LEU A 87 4.505 -1.028 -1.726 1.00 53.34 O ATOM 1328 CB LEU A 87 5.668 -3.950 -1.335 1.00 44.43 C ATOM 1329 CG LEU A 87 5.512 -4.232 0.173 1.00 72.12 C ATOM 1330 CD1 LEU A 87 4.444 -5.293 0.424 1.00 32.42 C ATOM 1331 CD2 LEU A 87 6.845 -4.656 0.784 1.00 63.04 C ATOM 0 H LEU A 87 5.529 -2.746 -3.695 1.00 51.10 H new ATOM 0 HA LEU A 87 3.597 -4.132 -1.927 1.00 73.43 H new ATOM 0 HB2 LEU A 87 5.978 -4.871 -1.829 1.00 44.43 H new ATOM 0 HB3 LEU A 87 6.474 -3.229 -1.471 1.00 44.43 H new ATOM 0 HG LEU A 87 5.191 -3.309 0.656 1.00 72.12 H new ATOM 0 HD11 LEU A 87 4.354 -5.473 1.495 1.00 32.42 H new ATOM 0 HD12 LEU A 87 3.488 -4.946 0.033 1.00 32.42 H new ATOM 0 HD13 LEU A 87 4.726 -6.219 -0.077 1.00 32.42 H new ATOM 0 HD21 LEU A 87 6.712 -4.850 1.848 1.00 63.04 H new ATOM 0 HD22 LEU A 87 7.199 -5.562 0.292 1.00 63.04 H new ATOM 0 HD23 LEU A 87 7.577 -3.860 0.649 1.00 63.04 H new ATOM 1343 N LEU A 88 3.000 -2.154 -0.497 1.00 14.21 N ATOM 1344 CA LEU A 88 2.520 -0.973 0.232 1.00 72.23 C ATOM 1345 C LEU A 88 2.434 -1.253 1.740 1.00 42.15 C ATOM 1346 O LEU A 88 1.630 -2.070 2.180 1.00 32.24 O ATOM 1347 CB LEU A 88 1.143 -0.544 -0.302 1.00 2.22 C ATOM 1348 CG LEU A 88 0.434 0.565 0.502 1.00 41.21 C ATOM 1349 CD1 LEU A 88 1.248 1.856 0.491 1.00 21.24 C ATOM 1350 CD2 LEU A 88 -0.977 0.807 -0.037 1.00 61.04 C ATOM 0 H LEU A 88 2.522 -3.020 -0.247 1.00 14.21 H new ATOM 0 HA LEU A 88 3.234 -0.164 0.074 1.00 72.23 H new ATOM 0 HB2 LEU A 88 1.262 -0.203 -1.331 1.00 2.22 H new ATOM 0 HB3 LEU A 88 0.495 -1.420 -0.329 1.00 2.22 H new ATOM 0 HG LEU A 88 0.351 0.230 1.536 1.00 41.21 H new ATOM 0 HD11 LEU A 88 0.725 2.621 1.065 1.00 21.24 H new ATOM 0 HD12 LEU A 88 2.226 1.673 0.936 1.00 21.24 H new ATOM 0 HD13 LEU A 88 1.375 2.197 -0.536 1.00 21.24 H new ATOM 0 HD21 LEU A 88 -1.459 1.593 0.545 1.00 61.04 H new ATOM 0 HD22 LEU A 88 -0.920 1.112 -1.082 1.00 61.04 H new ATOM 0 HD23 LEU A 88 -1.559 -0.111 0.042 1.00 61.04 H new ATOM 1362 N VAL A 89 3.261 -0.574 2.532 1.00 43.44 N ATOM 1363 CA VAL A 89 3.272 -0.776 3.990 1.00 3.45 C ATOM 1364 C VAL A 89 2.805 0.479 4.752 1.00 4.43 C ATOM 1365 O VAL A 89 3.387 1.553 4.613 1.00 1.13 O ATOM 1366 CB VAL A 89 4.681 -1.187 4.495 1.00 52.33 C ATOM 1367 CG1 VAL A 89 4.684 -1.385 6.014 1.00 63.54 C ATOM 1368 CG2 VAL A 89 5.156 -2.453 3.781 1.00 42.35 C ATOM 0 H VAL A 89 3.931 0.118 2.197 1.00 43.44 H new ATOM 0 HA VAL A 89 2.569 -1.585 4.191 1.00 3.45 H new ATOM 0 HB VAL A 89 5.375 -0.379 4.263 1.00 52.33 H new ATOM 0 HG11 VAL A 89 5.683 -1.672 6.341 1.00 63.54 H new ATOM 0 HG12 VAL A 89 4.396 -0.454 6.503 1.00 63.54 H new ATOM 0 HG13 VAL A 89 3.975 -2.169 6.280 1.00 63.54 H new ATOM 0 HG21 VAL A 89 6.145 -2.727 4.147 1.00 42.35 H new ATOM 0 HG22 VAL A 89 4.458 -3.266 3.979 1.00 42.35 H new ATOM 0 HG23 VAL A 89 5.204 -2.269 2.708 1.00 42.35 H new ATOM 1378 N LEU A 90 1.744 0.324 5.548 1.00 34.33 N ATOM 1379 CA LEU A 90 1.230 1.400 6.407 1.00 41.14 C ATOM 1380 C LEU A 90 1.674 1.208 7.864 1.00 13.13 C ATOM 1381 O LEU A 90 1.494 0.134 8.442 1.00 53.42 O ATOM 1382 CB LEU A 90 -0.308 1.442 6.353 1.00 73.34 C ATOM 1383 CG LEU A 90 -0.987 2.295 7.448 1.00 15.41 C ATOM 1384 CD1 LEU A 90 -0.710 3.783 7.260 1.00 14.15 C ATOM 1385 CD2 LEU A 90 -2.488 2.029 7.491 1.00 54.44 C ATOM 0 H LEU A 90 1.217 -0.547 5.617 1.00 34.33 H new ATOM 0 HA LEU A 90 1.638 2.340 6.034 1.00 41.14 H new ATOM 0 HB2 LEU A 90 -0.610 1.825 5.378 1.00 73.34 H new ATOM 0 HB3 LEU A 90 -0.685 0.422 6.425 1.00 73.34 H new ATOM 0 HG LEU A 90 -0.555 1.999 8.404 1.00 15.41 H new ATOM 0 HD11 LEU A 90 -1.205 4.348 8.050 1.00 14.15 H new ATOM 0 HD12 LEU A 90 0.364 3.962 7.305 1.00 14.15 H new ATOM 0 HD13 LEU A 90 -1.091 4.104 6.291 1.00 14.15 H new ATOM 0 HD21 LEU A 90 -2.944 2.641 8.269 1.00 54.44 H new ATOM 0 HD22 LEU A 90 -2.930 2.280 6.527 1.00 54.44 H new ATOM 0 HD23 LEU A 90 -2.665 0.975 7.708 1.00 54.44 H new ATOM 1397 N VAL A 91 2.238 2.257 8.459 1.00 31.21 N ATOM 1398 CA VAL A 91 2.630 2.224 9.872 1.00 51.43 C ATOM 1399 C VAL A 91 1.805 3.224 10.705 1.00 34.21 C ATOM 1400 O VAL A 91 2.101 4.423 10.733 1.00 42.34 O ATOM 1401 CB VAL A 91 4.138 2.525 10.048 1.00 1.33 C ATOM 1402 CG1 VAL A 91 4.565 2.342 11.505 1.00 23.43 C ATOM 1403 CG2 VAL A 91 4.975 1.648 9.116 1.00 2.45 C ATOM 0 H VAL A 91 2.435 3.140 7.988 1.00 31.21 H new ATOM 0 HA VAL A 91 2.430 1.215 10.232 1.00 51.43 H new ATOM 0 HB VAL A 91 4.311 3.567 9.779 1.00 1.33 H new ATOM 0 HG11 VAL A 91 5.629 2.559 11.602 1.00 23.43 H new ATOM 0 HG12 VAL A 91 3.996 3.022 12.139 1.00 23.43 H new ATOM 0 HG13 VAL A 91 4.375 1.314 11.813 1.00 23.43 H new ATOM 0 HG21 VAL A 91 6.032 1.875 9.255 1.00 2.45 H new ATOM 0 HG22 VAL A 91 4.796 0.598 9.346 1.00 2.45 H new ATOM 0 HG23 VAL A 91 4.695 1.845 8.081 1.00 2.45 H new ATOM 1413 N LEU A 92 0.776 2.712 11.385 1.00 71.15 N ATOM 1414 CA LEU A 92 -0.141 3.532 12.200 1.00 50.13 C ATOM 1415 C LEU A 92 0.611 4.441 13.194 1.00 54.22 C ATOM 1416 O LEU A 92 0.259 5.606 13.381 1.00 54.43 O ATOM 1417 CB LEU A 92 -1.102 2.605 12.963 1.00 33.41 C ATOM 1418 CG LEU A 92 -2.076 3.296 13.935 1.00 12.21 C ATOM 1419 CD1 LEU A 92 -3.019 4.237 13.189 1.00 72.12 C ATOM 1420 CD2 LEU A 92 -2.866 2.257 14.730 1.00 44.23 C ATOM 0 H LEU A 92 0.550 1.717 11.390 1.00 71.15 H new ATOM 0 HA LEU A 92 -0.696 4.184 11.526 1.00 50.13 H new ATOM 0 HB2 LEU A 92 -1.685 2.041 12.235 1.00 33.41 H new ATOM 0 HB3 LEU A 92 -0.509 1.883 13.525 1.00 33.41 H new ATOM 0 HG LEU A 92 -1.491 3.893 14.634 1.00 12.21 H new ATOM 0 HD11 LEU A 92 -3.696 4.712 13.899 1.00 72.12 H new ATOM 0 HD12 LEU A 92 -2.438 5.002 12.675 1.00 72.12 H new ATOM 0 HD13 LEU A 92 -3.597 3.670 12.460 1.00 72.12 H new ATOM 0 HD21 LEU A 92 -3.549 2.763 15.412 1.00 44.23 H new ATOM 0 HD22 LEU A 92 -3.436 1.630 14.044 1.00 44.23 H new ATOM 0 HD23 LEU A 92 -2.177 1.636 15.302 1.00 44.23 H new ATOM 1432 N ASP A 93 1.649 3.888 13.810 1.00 14.02 N ATOM 1433 CA ASP A 93 2.473 4.595 14.799 1.00 20.10 C ATOM 1434 C ASP A 93 2.952 5.974 14.300 1.00 34.23 C ATOM 1435 O ASP A 93 2.910 6.963 15.033 1.00 52.33 O ATOM 1436 CB ASP A 93 3.676 3.708 15.143 1.00 71.14 C ATOM 1437 CG ASP A 93 4.624 4.336 16.144 1.00 24.03 C ATOM 1438 OD1 ASP A 93 4.190 4.622 17.278 1.00 2.02 O ATOM 1439 OD2 ASP A 93 5.814 4.520 15.810 1.00 63.40 O ATOM 0 H ASP A 93 1.950 2.928 13.640 1.00 14.02 H new ATOM 0 HA ASP A 93 1.863 4.785 15.682 1.00 20.10 H new ATOM 0 HB2 ASP A 93 3.316 2.760 15.541 1.00 71.14 H new ATOM 0 HB3 ASP A 93 4.224 3.482 14.228 1.00 71.14 H new ATOM 1444 N GLN A 94 3.389 6.029 13.046 1.00 50.24 N ATOM 1445 CA GLN A 94 3.979 7.251 12.473 1.00 44.01 C ATOM 1446 C GLN A 94 3.167 7.780 11.273 1.00 32.15 C ATOM 1447 O GLN A 94 3.596 8.701 10.573 1.00 63.32 O ATOM 1448 CB GLN A 94 5.447 6.971 12.095 1.00 34.42 C ATOM 1449 CG GLN A 94 5.687 5.534 11.643 1.00 41.54 C ATOM 1450 CD GLN A 94 7.144 5.111 11.724 1.00 11.40 C ATOM 1451 OE1 GLN A 94 7.889 5.212 10.759 1.00 61.33 O ATOM 1452 NE2 GLN A 94 7.566 4.654 12.888 1.00 53.54 N ATOM 0 H GLN A 94 3.349 5.242 12.398 1.00 50.24 H new ATOM 0 HA GLN A 94 3.949 8.041 13.223 1.00 44.01 H new ATOM 0 HB2 GLN A 94 5.746 7.651 11.297 1.00 34.42 H new ATOM 0 HB3 GLN A 94 6.084 7.186 12.953 1.00 34.42 H new ATOM 0 HG2 GLN A 94 5.087 4.863 12.257 1.00 41.54 H new ATOM 0 HG3 GLN A 94 5.340 5.421 10.616 1.00 41.54 H new ATOM 0 HE21 GLN A 94 6.919 4.582 13.673 1.00 53.54 H new ATOM 0 HE22 GLN A 94 8.540 4.372 13.003 1.00 53.54 H new ATOM 1461 N ARG A 95 1.991 7.182 11.049 1.00 2.54 N ATOM 1462 CA ARG A 95 0.992 7.689 10.088 1.00 25.42 C ATOM 1463 C ARG A 95 1.515 7.780 8.640 1.00 43.21 C ATOM 1464 O ARG A 95 0.939 8.493 7.820 1.00 54.44 O ATOM 1465 CB ARG A 95 0.490 9.075 10.528 1.00 62.34 C ATOM 1466 CG ARG A 95 0.103 9.168 12.002 1.00 51.43 C ATOM 1467 CD ARG A 95 -0.468 10.539 12.343 1.00 3.42 C ATOM 1468 NE ARG A 95 -0.551 10.766 13.785 1.00 3.50 N ATOM 1469 CZ ARG A 95 -1.656 10.713 14.478 1.00 71.01 C ATOM 1470 NH1 ARG A 95 -2.755 10.287 13.943 1.00 73.24 N ATOM 1471 NH2 ARG A 95 -1.647 11.042 15.725 1.00 21.32 N ATOM 0 H ARG A 95 1.700 6.330 11.528 1.00 2.54 H new ATOM 0 HA ARG A 95 0.179 6.963 10.090 1.00 25.42 H new ATOM 0 HB2 ARG A 95 1.267 9.811 10.322 1.00 62.34 H new ATOM 0 HB3 ARG A 95 -0.374 9.345 9.921 1.00 62.34 H new ATOM 0 HG2 ARG A 95 -0.632 8.398 12.236 1.00 51.43 H new ATOM 0 HG3 ARG A 95 0.978 8.972 12.622 1.00 51.43 H new ATOM 0 HD2 ARG A 95 0.155 11.311 11.892 1.00 3.42 H new ATOM 0 HD3 ARG A 95 -1.462 10.635 11.905 1.00 3.42 H new ATOM 0 HE ARG A 95 0.313 10.980 14.283 1.00 3.50 H new ATOM 0 HH11 ARG A 95 -2.765 9.987 12.968 1.00 73.24 H new ATOM 0 HH12 ARG A 95 -3.611 10.251 14.496 1.00 73.24 H new ATOM 0 HH21 ARG A 95 -0.778 11.343 16.167 1.00 21.32 H new ATOM 0 HH22 ARG A 95 -2.509 11.002 16.269 1.00 21.32 H new ATOM 1485 N ARG A 96 2.581 7.058 8.310 1.00 51.30 N ATOM 1486 CA ARG A 96 3.154 7.131 6.956 1.00 21.41 C ATOM 1487 C ARG A 96 3.193 5.759 6.268 1.00 52.02 C ATOM 1488 O ARG A 96 3.230 4.716 6.926 1.00 11.24 O ATOM 1489 CB ARG A 96 4.562 7.743 7.003 1.00 5.45 C ATOM 1490 CG ARG A 96 5.573 6.918 7.791 1.00 73.44 C ATOM 1491 CD ARG A 96 6.930 7.611 7.858 1.00 30.32 C ATOM 1492 NE ARG A 96 7.892 6.868 8.665 1.00 53.03 N ATOM 1493 CZ ARG A 96 9.136 7.227 8.852 1.00 24.23 C ATOM 1494 NH1 ARG A 96 9.618 8.286 8.278 1.00 20.01 N ATOM 1495 NH2 ARG A 96 9.896 6.516 9.617 1.00 34.43 N ATOM 0 H ARG A 96 3.065 6.423 8.945 1.00 51.30 H new ATOM 0 HA ARG A 96 2.502 7.773 6.364 1.00 21.41 H new ATOM 0 HB2 ARG A 96 4.927 7.868 5.983 1.00 5.45 H new ATOM 0 HB3 ARG A 96 4.499 8.738 7.443 1.00 5.45 H new ATOM 0 HG2 ARG A 96 5.199 6.750 8.801 1.00 73.44 H new ATOM 0 HG3 ARG A 96 5.686 5.939 7.326 1.00 73.44 H new ATOM 0 HD2 ARG A 96 7.323 7.733 6.849 1.00 30.32 H new ATOM 0 HD3 ARG A 96 6.805 8.610 8.274 1.00 30.32 H new ATOM 0 HE ARG A 96 7.573 6.010 9.114 1.00 53.03 H new ATOM 0 HH11 ARG A 96 9.025 8.852 7.671 1.00 20.01 H new ATOM 0 HH12 ARG A 96 10.590 8.553 8.434 1.00 20.01 H new ATOM 0 HH21 ARG A 96 9.525 5.681 10.070 1.00 34.43 H new ATOM 0 HH22 ARG A 96 10.867 6.790 9.768 1.00 34.43 H new ATOM 1509 N VAL A 97 3.175 5.781 4.934 1.00 31.33 N ATOM 1510 CA VAL A 97 3.219 4.558 4.121 1.00 50.11 C ATOM 1511 C VAL A 97 4.313 4.641 3.041 1.00 52.31 C ATOM 1512 O VAL A 97 4.915 5.693 2.826 1.00 44.32 O ATOM 1513 CB VAL A 97 1.859 4.298 3.417 1.00 64.33 C ATOM 1514 CG1 VAL A 97 0.705 4.372 4.402 1.00 41.32 C ATOM 1515 CG2 VAL A 97 1.642 5.273 2.261 1.00 21.53 C ATOM 0 H VAL A 97 3.130 6.640 4.387 1.00 31.33 H new ATOM 0 HA VAL A 97 3.441 3.739 4.806 1.00 50.11 H new ATOM 0 HB VAL A 97 1.890 3.288 3.009 1.00 64.33 H new ATOM 0 HG11 VAL A 97 -0.233 4.186 3.878 1.00 41.32 H new ATOM 0 HG12 VAL A 97 0.842 3.621 5.180 1.00 41.32 H new ATOM 0 HG13 VAL A 97 0.677 5.363 4.855 1.00 41.32 H new ATOM 0 HG21 VAL A 97 0.682 5.067 1.787 1.00 21.53 H new ATOM 0 HG22 VAL A 97 1.648 6.295 2.641 1.00 21.53 H new ATOM 0 HG23 VAL A 97 2.441 5.154 1.529 1.00 21.53 H new ATOM 1525 N ARG A 98 4.560 3.523 2.364 1.00 21.24 N ATOM 1526 CA ARG A 98 5.463 3.499 1.206 1.00 21.14 C ATOM 1527 C ARG A 98 5.028 2.459 0.164 1.00 42.41 C ATOM 1528 O ARG A 98 4.766 1.302 0.499 1.00 14.21 O ATOM 1529 CB ARG A 98 6.919 3.221 1.631 1.00 21.31 C ATOM 1530 CG ARG A 98 7.809 2.750 0.475 1.00 23.53 C ATOM 1531 CD ARG A 98 9.279 2.628 0.868 1.00 74.03 C ATOM 1532 NE ARG A 98 10.033 1.788 -0.071 1.00 33.20 N ATOM 1533 CZ ARG A 98 10.372 2.135 -1.291 1.00 54.20 C ATOM 1534 NH1 ARG A 98 10.053 3.297 -1.771 1.00 15.50 N ATOM 1535 NH2 ARG A 98 11.029 1.304 -2.034 1.00 33.04 N ATOM 0 H ARG A 98 4.149 2.618 2.594 1.00 21.24 H new ATOM 0 HA ARG A 98 5.409 4.489 0.753 1.00 21.14 H new ATOM 0 HB2 ARG A 98 7.344 4.128 2.061 1.00 21.31 H new ATOM 0 HB3 ARG A 98 6.923 2.464 2.415 1.00 21.31 H new ATOM 0 HG2 ARG A 98 7.452 1.784 0.119 1.00 23.53 H new ATOM 0 HG3 ARG A 98 7.717 3.450 -0.356 1.00 23.53 H new ATOM 0 HD2 ARG A 98 9.727 3.621 0.906 1.00 74.03 H new ATOM 0 HD3 ARG A 98 9.352 2.206 1.870 1.00 74.03 H new ATOM 0 HE ARG A 98 10.316 0.862 0.250 1.00 33.20 H new ATOM 0 HH11 ARG A 98 9.530 3.959 -1.198 1.00 15.50 H new ATOM 0 HH12 ARG A 98 10.325 3.549 -2.721 1.00 15.50 H new ATOM 0 HH21 ARG A 98 11.281 0.385 -1.671 1.00 33.04 H new ATOM 0 HH22 ARG A 98 11.295 1.568 -2.983 1.00 33.04 H new ATOM 1549 N PHE A 99 4.945 2.893 -1.092 1.00 72.42 N ATOM 1550 CA PHE A 99 4.795 1.977 -2.228 1.00 10.10 C ATOM 1551 C PHE A 99 6.184 1.584 -2.755 1.00 42.12 C ATOM 1552 O PHE A 99 7.091 2.415 -2.792 1.00 11.12 O ATOM 1553 CB PHE A 99 3.998 2.632 -3.364 1.00 21.20 C ATOM 1554 CG PHE A 99 2.584 3.021 -3.020 1.00 4.21 C ATOM 1555 CD1 PHE A 99 2.310 4.253 -2.447 1.00 54.02 C ATOM 1556 CD2 PHE A 99 1.528 2.163 -3.289 1.00 71.30 C ATOM 1557 CE1 PHE A 99 1.013 4.622 -2.149 1.00 51.35 C ATOM 1558 CE2 PHE A 99 0.229 2.529 -2.995 1.00 30.04 C ATOM 1559 CZ PHE A 99 -0.028 3.758 -2.424 1.00 63.24 C ATOM 0 H PHE A 99 4.979 3.879 -1.353 1.00 72.42 H new ATOM 0 HA PHE A 99 4.255 1.094 -1.885 1.00 10.10 H new ATOM 0 HB2 PHE A 99 4.532 3.523 -3.693 1.00 21.20 H new ATOM 0 HB3 PHE A 99 3.972 1.945 -4.210 1.00 21.20 H new ATOM 0 HD1 PHE A 99 3.121 4.933 -2.231 1.00 54.02 H new ATOM 0 HD2 PHE A 99 1.724 1.198 -3.733 1.00 71.30 H new ATOM 0 HE1 PHE A 99 0.813 5.585 -1.702 1.00 51.35 H new ATOM 0 HE2 PHE A 99 -0.585 1.853 -3.212 1.00 30.04 H new ATOM 0 HZ PHE A 99 -1.043 4.044 -2.192 1.00 63.24 H new ATOM 1569 N GLU A 100 6.353 0.330 -3.160 1.00 31.54 N ATOM 1570 CA GLU A 100 7.647 -0.139 -3.673 1.00 35.14 C ATOM 1571 C GLU A 100 7.492 -0.935 -4.979 1.00 35.53 C ATOM 1572 O GLU A 100 6.925 -2.031 -4.991 1.00 73.45 O ATOM 1573 CB GLU A 100 8.353 -0.990 -2.604 1.00 30.52 C ATOM 1574 CG GLU A 100 9.681 -1.593 -3.055 1.00 73.41 C ATOM 1575 CD GLU A 100 10.500 -2.136 -1.897 1.00 61.43 C ATOM 1576 OE1 GLU A 100 11.127 -1.322 -1.180 1.00 21.41 O ATOM 1577 OE2 GLU A 100 10.510 -3.364 -1.698 1.00 21.35 O ATOM 0 H GLU A 100 5.620 -0.379 -3.146 1.00 31.54 H new ATOM 0 HA GLU A 100 8.256 0.736 -3.900 1.00 35.14 H new ATOM 0 HB2 GLU A 100 8.529 -0.373 -1.723 1.00 30.52 H new ATOM 0 HB3 GLU A 100 7.686 -1.797 -2.300 1.00 30.52 H new ATOM 0 HG2 GLU A 100 9.488 -2.396 -3.766 1.00 73.41 H new ATOM 0 HG3 GLU A 100 10.261 -0.834 -3.580 1.00 73.41 H new ATOM 1584 N THR A 101 7.991 -0.363 -6.075 1.00 42.04 N ATOM 1585 CA THR A 101 8.015 -1.036 -7.380 1.00 31.11 C ATOM 1586 C THR A 101 9.431 -1.475 -7.750 1.00 13.33 C ATOM 1587 O THR A 101 10.401 -0.764 -7.495 1.00 32.12 O ATOM 1588 CB THR A 101 7.484 -0.127 -8.515 1.00 11.52 C ATOM 1589 OG1 THR A 101 8.084 1.174 -8.430 1.00 60.20 O ATOM 1590 CG2 THR A 101 5.968 -0.010 -8.462 1.00 20.12 C ATOM 0 H THR A 101 8.389 0.576 -6.087 1.00 42.04 H new ATOM 0 HA THR A 101 7.365 -1.905 -7.281 1.00 31.11 H new ATOM 0 HB THR A 101 7.755 -0.583 -9.467 1.00 11.52 H new ATOM 0 HG1 THR A 101 8.732 1.283 -9.157 1.00 60.20 H new ATOM 0 HG21 THR A 101 5.624 0.634 -9.271 1.00 20.12 H new ATOM 0 HG22 THR A 101 5.523 -0.999 -8.572 1.00 20.12 H new ATOM 0 HG23 THR A 101 5.669 0.418 -7.505 1.00 20.12 H new ATOM 1598 N GLY A 102 9.539 -2.644 -8.368 1.00 32.43 N ATOM 1599 CA GLY A 102 10.842 -3.159 -8.768 1.00 21.43 C ATOM 1600 C GLY A 102 11.292 -2.685 -10.141 1.00 4.41 C ATOM 1601 O GLY A 102 12.049 -1.725 -10.269 1.00 43.23 O ATOM 0 H GLY A 102 8.750 -3.247 -8.601 1.00 32.43 H new ATOM 0 HA2 GLY A 102 11.584 -2.858 -8.028 1.00 21.43 H new ATOM 0 HA3 GLY A 102 10.809 -4.248 -8.762 1.00 21.43 H new ATOM 1605 N TYR A 103 10.832 -3.381 -11.168 1.00 12.12 N ATOM 1606 CA TYR A 103 11.265 -3.128 -12.536 1.00 51.53 C ATOM 1607 C TYR A 103 10.079 -3.156 -13.514 1.00 33.01 C ATOM 1608 O TYR A 103 9.977 -2.320 -14.410 1.00 74.42 O ATOM 1609 CB TYR A 103 12.300 -4.190 -12.920 1.00 43.44 C ATOM 1610 CG TYR A 103 12.718 -4.148 -14.371 1.00 71.02 C ATOM 1611 CD1 TYR A 103 13.717 -3.291 -14.801 1.00 74.31 C ATOM 1612 CD2 TYR A 103 12.106 -4.971 -15.304 1.00 74.04 C ATOM 1613 CE1 TYR A 103 14.103 -3.256 -16.128 1.00 24.52 C ATOM 1614 CE2 TYR A 103 12.480 -4.945 -16.633 1.00 34.14 C ATOM 1615 CZ TYR A 103 13.481 -4.084 -17.042 1.00 41.44 C ATOM 1616 OH TYR A 103 13.863 -4.055 -18.366 1.00 30.05 O ATOM 0 H TYR A 103 10.151 -4.135 -11.079 1.00 12.12 H new ATOM 0 HA TYR A 103 11.707 -2.133 -12.595 1.00 51.53 H new ATOM 0 HB2 TYR A 103 13.184 -4.063 -12.295 1.00 43.44 H new ATOM 0 HB3 TYR A 103 11.892 -5.176 -12.699 1.00 43.44 H new ATOM 0 HD1 TYR A 103 14.202 -2.640 -14.089 1.00 74.31 H new ATOM 0 HD2 TYR A 103 11.323 -5.644 -14.986 1.00 74.04 H new ATOM 0 HE1 TYR A 103 14.886 -2.585 -16.448 1.00 24.52 H new ATOM 0 HE2 TYR A 103 11.994 -5.593 -17.348 1.00 34.14 H new ATOM 0 HH TYR A 103 13.328 -4.699 -18.875 1.00 30.05 H new ATOM 1626 N GLY A 104 9.176 -4.118 -13.319 1.00 60.45 N ATOM 1627 CA GLY A 104 8.054 -4.308 -14.236 1.00 43.21 C ATOM 1628 C GLY A 104 7.154 -3.082 -14.382 1.00 72.34 C ATOM 1629 O GLY A 104 6.691 -2.765 -15.475 1.00 21.31 O ATOM 0 H GLY A 104 9.200 -4.774 -12.538 1.00 60.45 H new ATOM 0 HA2 GLY A 104 8.443 -4.579 -15.218 1.00 43.21 H new ATOM 0 HA3 GLY A 104 7.452 -5.148 -13.888 1.00 43.21 H new ATOM 1633 N LEU A 105 6.908 -2.390 -13.272 1.00 45.21 N ATOM 1634 CA LEU A 105 5.974 -1.261 -13.255 1.00 32.42 C ATOM 1635 C LEU A 105 6.659 0.089 -13.515 1.00 74.44 C ATOM 1636 O LEU A 105 5.983 1.105 -13.605 1.00 54.51 O ATOM 1637 CB LEU A 105 5.240 -1.226 -11.910 1.00 21.13 C ATOM 1638 CG LEU A 105 4.392 -2.470 -11.604 1.00 71.04 C ATOM 1639 CD1 LEU A 105 3.794 -2.386 -10.204 1.00 42.22 C ATOM 1640 CD2 LEU A 105 3.294 -2.641 -12.654 1.00 51.15 C ATOM 0 H LEU A 105 7.342 -2.590 -12.371 1.00 45.21 H new ATOM 0 HA LEU A 105 5.267 -1.415 -14.070 1.00 32.42 H new ATOM 0 HB2 LEU A 105 5.975 -1.100 -11.115 1.00 21.13 H new ATOM 0 HB3 LEU A 105 4.593 -0.349 -11.888 1.00 21.13 H new ATOM 0 HG LEU A 105 5.041 -3.345 -11.641 1.00 71.04 H new ATOM 0 HD11 LEU A 105 3.198 -3.277 -10.009 1.00 42.22 H new ATOM 0 HD12 LEU A 105 4.596 -2.318 -9.469 1.00 42.22 H new ATOM 0 HD13 LEU A 105 3.160 -1.502 -10.132 1.00 42.22 H new ATOM 0 HD21 LEU A 105 2.703 -3.527 -12.422 1.00 51.15 H new ATOM 0 HD22 LEU A 105 2.648 -1.763 -12.651 1.00 51.15 H new ATOM 0 HD23 LEU A 105 3.747 -2.755 -13.639 1.00 51.15 H new ATOM 1652 N GLU A 106 7.983 0.101 -13.668 1.00 2.05 N ATOM 1653 CA GLU A 106 8.727 1.360 -13.868 1.00 4.44 C ATOM 1654 C GLU A 106 8.236 2.148 -15.099 1.00 73.21 C ATOM 1655 O GLU A 106 8.450 3.360 -15.205 1.00 20.45 O ATOM 1656 CB GLU A 106 10.231 1.076 -13.981 1.00 12.33 C ATOM 1657 CG GLU A 106 10.885 0.693 -12.657 1.00 64.34 C ATOM 1658 CD GLU A 106 10.778 1.798 -11.617 1.00 43.14 C ATOM 1659 OE1 GLU A 106 11.395 2.867 -11.817 1.00 0.11 O ATOM 1660 OE2 GLU A 106 10.072 1.612 -10.603 1.00 12.13 O ATOM 0 H GLU A 106 8.565 -0.736 -13.659 1.00 2.05 H new ATOM 0 HA GLU A 106 8.540 1.985 -12.995 1.00 4.44 H new ATOM 0 HB2 GLU A 106 10.387 0.271 -14.699 1.00 12.33 H new ATOM 0 HB3 GLU A 106 10.729 1.959 -14.380 1.00 12.33 H new ATOM 0 HG2 GLU A 106 10.416 -0.212 -12.271 1.00 64.34 H new ATOM 0 HG3 GLU A 106 11.936 0.459 -12.828 1.00 64.34 H new ATOM 1667 N GLY A 107 7.587 1.455 -16.032 1.00 71.21 N ATOM 1668 CA GLY A 107 6.988 2.124 -17.181 1.00 45.33 C ATOM 1669 C GLY A 107 5.664 2.816 -16.844 1.00 51.11 C ATOM 1670 O GLY A 107 5.297 3.817 -17.464 1.00 22.41 O ATOM 0 H GLY A 107 7.464 0.443 -16.015 1.00 71.21 H new ATOM 0 HA2 GLY A 107 7.689 2.862 -17.571 1.00 45.33 H new ATOM 0 HA3 GLY A 107 6.819 1.394 -17.973 1.00 45.33 H new ATOM 1674 N TYR A 108 4.952 2.285 -15.851 1.00 21.33 N ATOM 1675 CA TYR A 108 3.631 2.807 -15.466 1.00 14.12 C ATOM 1676 C TYR A 108 3.691 3.507 -14.096 1.00 61.04 C ATOM 1677 O TYR A 108 3.405 4.700 -13.982 1.00 64.55 O ATOM 1678 CB TYR A 108 2.607 1.662 -15.413 1.00 44.01 C ATOM 1679 CG TYR A 108 2.739 0.670 -16.557 1.00 13.15 C ATOM 1680 CD1 TYR A 108 2.605 1.075 -17.881 1.00 52.11 C ATOM 1681 CD2 TYR A 108 3.018 -0.671 -16.308 1.00 33.11 C ATOM 1682 CE1 TYR A 108 2.741 0.174 -18.921 1.00 21.45 C ATOM 1683 CE2 TYR A 108 3.157 -1.576 -17.342 1.00 64.21 C ATOM 1684 CZ TYR A 108 3.017 -1.150 -18.646 1.00 1.43 C ATOM 1685 OH TYR A 108 3.160 -2.050 -19.678 1.00 33.33 O ATOM 0 H TYR A 108 5.265 1.490 -15.293 1.00 21.33 H new ATOM 0 HA TYR A 108 3.325 3.537 -16.216 1.00 14.12 H new ATOM 0 HB2 TYR A 108 2.719 1.130 -14.468 1.00 44.01 H new ATOM 0 HB3 TYR A 108 1.602 2.084 -15.424 1.00 44.01 H new ATOM 0 HD1 TYR A 108 2.391 2.111 -18.100 1.00 52.11 H new ATOM 0 HD2 TYR A 108 3.128 -1.010 -15.288 1.00 33.11 H new ATOM 0 HE1 TYR A 108 2.632 0.505 -19.943 1.00 21.45 H new ATOM 0 HE2 TYR A 108 3.374 -2.612 -17.130 1.00 64.21 H new ATOM 0 HH TYR A 108 3.353 -2.939 -19.313 1.00 33.33 H new ATOM 1695 N LEU A 109 4.074 2.748 -13.070 1.00 31.30 N ATOM 1696 CA LEU A 109 4.148 3.242 -11.688 1.00 61.43 C ATOM 1697 C LEU A 109 5.606 3.322 -11.192 1.00 20.43 C ATOM 1698 O LEU A 109 6.127 2.354 -10.637 1.00 4.00 O ATOM 1699 CB LEU A 109 3.369 2.290 -10.768 1.00 3.31 C ATOM 1700 CG LEU A 109 1.929 1.979 -11.203 1.00 53.42 C ATOM 1701 CD1 LEU A 109 1.410 0.733 -10.487 1.00 11.33 C ATOM 1702 CD2 LEU A 109 1.020 3.178 -10.941 1.00 0.35 C ATOM 0 H LEU A 109 4.343 1.769 -13.170 1.00 31.30 H new ATOM 0 HA LEU A 109 3.718 4.243 -11.666 1.00 61.43 H new ATOM 0 HB2 LEU A 109 3.919 1.352 -10.696 1.00 3.31 H new ATOM 0 HB3 LEU A 109 3.342 2.721 -9.767 1.00 3.31 H new ATOM 0 HG LEU A 109 1.926 1.779 -12.275 1.00 53.42 H new ATOM 0 HD11 LEU A 109 0.389 0.528 -10.808 1.00 11.33 H new ATOM 0 HD12 LEU A 109 2.045 -0.118 -10.732 1.00 11.33 H new ATOM 0 HD13 LEU A 109 1.426 0.899 -9.410 1.00 11.33 H new ATOM 0 HD21 LEU A 109 0.004 2.940 -11.255 1.00 0.35 H new ATOM 0 HD22 LEU A 109 1.025 3.413 -9.877 1.00 0.35 H new ATOM 0 HD23 LEU A 109 1.381 4.039 -11.504 1.00 0.35 H new ATOM 1714 N PRO A 110 6.303 4.451 -11.415 1.00 13.25 N ATOM 1715 CA PRO A 110 7.646 4.660 -10.855 1.00 12.34 C ATOM 1716 C PRO A 110 7.596 5.125 -9.386 1.00 33.55 C ATOM 1717 O PRO A 110 6.627 5.769 -8.966 1.00 12.33 O ATOM 1718 CB PRO A 110 8.218 5.759 -11.757 1.00 61.41 C ATOM 1719 CG PRO A 110 7.026 6.557 -12.175 1.00 42.34 C ATOM 1720 CD PRO A 110 5.869 5.585 -12.254 1.00 33.31 C ATOM 0 HA PRO A 110 8.242 3.748 -10.838 1.00 12.34 H new ATOM 0 HB2 PRO A 110 8.941 6.375 -11.222 1.00 61.41 H new ATOM 0 HB3 PRO A 110 8.735 5.336 -12.619 1.00 61.41 H new ATOM 0 HG2 PRO A 110 6.818 7.351 -11.457 1.00 42.34 H new ATOM 0 HG3 PRO A 110 7.198 7.036 -13.139 1.00 42.34 H new ATOM 0 HD2 PRO A 110 4.947 6.030 -11.880 1.00 33.31 H new ATOM 0 HD3 PRO A 110 5.678 5.273 -13.281 1.00 33.31 H new ATOM 1728 N ASP A 111 8.645 4.810 -8.617 1.00 70.11 N ATOM 1729 CA ASP A 111 8.727 5.205 -7.196 1.00 10.32 C ATOM 1730 C ASP A 111 8.379 6.693 -6.997 1.00 70.20 C ATOM 1731 O ASP A 111 7.749 7.064 -6.006 1.00 33.02 O ATOM 1732 CB ASP A 111 10.130 4.902 -6.650 1.00 3.22 C ATOM 1733 CG ASP A 111 10.304 5.298 -5.187 1.00 1.54 C ATOM 1734 OD1 ASP A 111 9.980 4.485 -4.294 1.00 41.11 O ATOM 1735 OD2 ASP A 111 10.781 6.422 -4.922 1.00 52.03 O ATOM 0 H ASP A 111 9.452 4.283 -8.950 1.00 70.11 H new ATOM 0 HA ASP A 111 7.992 4.623 -6.641 1.00 10.32 H new ATOM 0 HB2 ASP A 111 10.332 3.836 -6.758 1.00 3.22 H new ATOM 0 HB3 ASP A 111 10.869 5.429 -7.253 1.00 3.22 H new ATOM 1740 N GLY A 112 8.780 7.534 -7.952 1.00 41.34 N ATOM 1741 CA GLY A 112 8.445 8.956 -7.900 1.00 61.42 C ATOM 1742 C GLY A 112 6.939 9.220 -7.901 1.00 4.33 C ATOM 1743 O GLY A 112 6.427 9.966 -7.065 1.00 11.32 O ATOM 0 H GLY A 112 9.332 7.257 -8.764 1.00 41.34 H new ATOM 0 HA2 GLY A 112 8.883 9.393 -7.003 1.00 61.42 H new ATOM 0 HA3 GLY A 112 8.896 9.461 -8.754 1.00 61.42 H new ATOM 1747 N LEU A 113 6.230 8.601 -8.843 1.00 74.44 N ATOM 1748 CA LEU A 113 4.770 8.734 -8.932 1.00 55.22 C ATOM 1749 C LEU A 113 4.091 8.219 -7.656 1.00 30.43 C ATOM 1750 O LEU A 113 3.182 8.853 -7.114 1.00 51.33 O ATOM 1751 CB LEU A 113 4.248 7.959 -10.151 1.00 53.02 C ATOM 1752 CG LEU A 113 2.718 7.897 -10.296 1.00 53.51 C ATOM 1753 CD1 LEU A 113 2.125 9.299 -10.407 1.00 41.31 C ATOM 1754 CD2 LEU A 113 2.327 7.047 -11.503 1.00 53.10 C ATOM 0 H LEU A 113 6.640 8.001 -9.558 1.00 74.44 H new ATOM 0 HA LEU A 113 4.530 9.791 -9.044 1.00 55.22 H new ATOM 0 HB2 LEU A 113 4.662 8.413 -11.052 1.00 53.02 H new ATOM 0 HB3 LEU A 113 4.632 6.940 -10.102 1.00 53.02 H new ATOM 0 HG LEU A 113 2.310 7.428 -9.400 1.00 53.51 H new ATOM 0 HD11 LEU A 113 1.042 9.229 -10.509 1.00 41.31 H new ATOM 0 HD12 LEU A 113 2.369 9.869 -9.511 1.00 41.31 H new ATOM 0 HD13 LEU A 113 2.540 9.801 -11.281 1.00 41.31 H new ATOM 0 HD21 LEU A 113 1.241 7.015 -11.589 1.00 53.10 H new ATOM 0 HD22 LEU A 113 2.750 7.484 -12.408 1.00 53.10 H new ATOM 0 HD23 LEU A 113 2.711 6.035 -11.375 1.00 53.10 H new ATOM 1766 N LEU A 114 4.549 7.064 -7.184 1.00 62.32 N ATOM 1767 CA LEU A 114 4.037 6.462 -5.951 1.00 3.33 C ATOM 1768 C LEU A 114 4.268 7.393 -4.750 1.00 31.30 C ATOM 1769 O LEU A 114 3.373 7.608 -3.930 1.00 22.43 O ATOM 1770 CB LEU A 114 4.733 5.117 -5.722 1.00 4.40 C ATOM 1771 CG LEU A 114 4.585 4.106 -6.871 1.00 31.13 C ATOM 1772 CD1 LEU A 114 5.466 2.888 -6.629 1.00 3.34 C ATOM 1773 CD2 LEU A 114 3.122 3.691 -7.047 1.00 63.21 C ATOM 0 H LEU A 114 5.281 6.519 -7.640 1.00 62.32 H new ATOM 0 HA LEU A 114 2.963 6.306 -6.051 1.00 3.33 H new ATOM 0 HB2 LEU A 114 5.794 5.298 -5.552 1.00 4.40 H new ATOM 0 HB3 LEU A 114 4.336 4.670 -4.811 1.00 4.40 H new ATOM 0 HG LEU A 114 4.912 4.588 -7.793 1.00 31.13 H new ATOM 0 HD11 LEU A 114 5.348 2.184 -7.453 1.00 3.34 H new ATOM 0 HD12 LEU A 114 6.508 3.200 -6.565 1.00 3.34 H new ATOM 0 HD13 LEU A 114 5.173 2.407 -5.696 1.00 3.34 H new ATOM 0 HD21 LEU A 114 3.043 2.976 -7.866 1.00 63.21 H new ATOM 0 HD22 LEU A 114 2.761 3.231 -6.127 1.00 63.21 H new ATOM 0 HD23 LEU A 114 2.519 4.570 -7.274 1.00 63.21 H new ATOM 1785 N SER A 115 5.472 7.958 -4.677 1.00 43.43 N ATOM 1786 CA SER A 115 5.841 8.900 -3.609 1.00 74.32 C ATOM 1787 C SER A 115 4.920 10.125 -3.617 1.00 41.32 C ATOM 1788 O SER A 115 4.535 10.643 -2.561 1.00 33.42 O ATOM 1789 CB SER A 115 7.303 9.348 -3.771 1.00 65.40 C ATOM 1790 OG SER A 115 7.679 10.285 -2.771 1.00 22.33 O ATOM 0 H SER A 115 6.218 7.781 -5.349 1.00 43.43 H new ATOM 0 HA SER A 115 5.728 8.386 -2.654 1.00 74.32 H new ATOM 0 HB2 SER A 115 7.958 8.478 -3.720 1.00 65.40 H new ATOM 0 HB3 SER A 115 7.440 9.793 -4.757 1.00 65.40 H new ATOM 0 HG SER A 115 8.614 10.547 -2.903 1.00 22.33 H new ATOM 1796 N ARG A 116 4.563 10.582 -4.818 1.00 61.31 N ATOM 1797 CA ARG A 116 3.615 11.687 -4.978 1.00 2.21 C ATOM 1798 C ARG A 116 2.253 11.336 -4.360 1.00 34.22 C ATOM 1799 O ARG A 116 1.768 12.048 -3.488 1.00 44.11 O ATOM 1800 CB ARG A 116 3.437 12.039 -6.461 1.00 34.34 C ATOM 1801 CG ARG A 116 2.521 13.238 -6.698 1.00 3.31 C ATOM 1802 CD ARG A 116 2.248 13.468 -8.181 1.00 1.41 C ATOM 1803 NE ARG A 116 1.438 14.664 -8.406 1.00 42.12 N ATOM 1804 CZ ARG A 116 0.190 14.650 -8.794 1.00 35.51 C ATOM 1805 NH1 ARG A 116 -0.429 13.526 -8.987 1.00 12.12 N ATOM 1806 NH2 ARG A 116 -0.438 15.765 -8.978 1.00 22.43 N ATOM 0 H ARG A 116 4.917 10.203 -5.697 1.00 61.31 H new ATOM 0 HA ARG A 116 4.023 12.552 -4.456 1.00 2.21 H new ATOM 0 HB2 ARG A 116 4.414 12.247 -6.896 1.00 34.34 H new ATOM 0 HB3 ARG A 116 3.032 11.173 -6.985 1.00 34.34 H new ATOM 0 HG2 ARG A 116 1.577 13.081 -6.176 1.00 3.31 H new ATOM 0 HG3 ARG A 116 2.976 14.131 -6.271 1.00 3.31 H new ATOM 0 HD2 ARG A 116 3.194 13.564 -8.714 1.00 1.41 H new ATOM 0 HD3 ARG A 116 1.736 12.599 -8.595 1.00 1.41 H new ATOM 0 HE ARG A 116 1.877 15.571 -8.249 1.00 42.12 H new ATOM 0 HH11 ARG A 116 0.058 12.643 -8.836 1.00 12.12 H new ATOM 0 HH12 ARG A 116 -1.403 13.526 -9.290 1.00 12.12 H new ATOM 0 HH21 ARG A 116 0.041 16.652 -8.820 1.00 22.43 H new ATOM 0 HH22 ARG A 116 -1.412 15.758 -9.281 1.00 22.43 H new ATOM 1820 N ILE A 117 1.653 10.223 -4.804 1.00 30.40 N ATOM 1821 CA ILE A 117 0.337 9.786 -4.299 1.00 60.41 C ATOM 1822 C ILE A 117 0.301 9.743 -2.761 1.00 75.33 C ATOM 1823 O ILE A 117 -0.697 10.129 -2.139 1.00 61.23 O ATOM 1824 CB ILE A 117 -0.054 8.389 -4.862 1.00 10.34 C ATOM 1825 CG1 ILE A 117 -0.215 8.453 -6.391 1.00 32.20 C ATOM 1826 CG2 ILE A 117 -1.338 7.869 -4.205 1.00 12.42 C ATOM 1827 CD1 ILE A 117 -0.620 7.137 -7.025 1.00 1.43 C ATOM 0 H ILE A 117 2.055 9.607 -5.511 1.00 30.40 H new ATOM 0 HA ILE A 117 -0.386 10.524 -4.645 1.00 60.41 H new ATOM 0 HB ILE A 117 0.749 7.691 -4.626 1.00 10.34 H new ATOM 0 HG12 ILE A 117 -0.963 9.208 -6.636 1.00 32.20 H new ATOM 0 HG13 ILE A 117 0.726 8.782 -6.831 1.00 32.20 H new ATOM 0 HG21 ILE A 117 -1.588 6.891 -4.617 1.00 12.42 H new ATOM 0 HG22 ILE A 117 -1.186 7.781 -3.129 1.00 12.42 H new ATOM 0 HG23 ILE A 117 -2.154 8.564 -4.401 1.00 12.42 H new ATOM 0 HD11 ILE A 117 -0.712 7.266 -8.103 1.00 1.43 H new ATOM 0 HD12 ILE A 117 0.138 6.383 -6.813 1.00 1.43 H new ATOM 0 HD13 ILE A 117 -1.577 6.815 -6.615 1.00 1.43 H new ATOM 1839 N ILE A 118 1.395 9.289 -2.153 1.00 3.05 N ATOM 1840 CA ILE A 118 1.509 9.256 -0.692 1.00 33.21 C ATOM 1841 C ILE A 118 1.272 10.651 -0.088 1.00 62.15 C ATOM 1842 O ILE A 118 0.377 10.836 0.731 1.00 71.53 O ATOM 1843 CB ILE A 118 2.904 8.739 -0.247 1.00 34.55 C ATOM 1844 CG1 ILE A 118 3.145 7.315 -0.776 1.00 33.35 C ATOM 1845 CG2 ILE A 118 3.038 8.778 1.277 1.00 43.23 C ATOM 1846 CD1 ILE A 118 4.529 6.770 -0.471 1.00 41.43 C ATOM 0 H ILE A 118 2.216 8.939 -2.647 1.00 3.05 H new ATOM 0 HA ILE A 118 0.743 8.571 -0.327 1.00 33.21 H new ATOM 0 HB ILE A 118 3.663 9.397 -0.671 1.00 34.55 H new ATOM 0 HG12 ILE A 118 2.399 6.647 -0.345 1.00 33.35 H new ATOM 0 HG13 ILE A 118 2.993 7.309 -1.855 1.00 33.35 H new ATOM 0 HG21 ILE A 118 4.023 8.411 1.565 1.00 43.23 H new ATOM 0 HG22 ILE A 118 2.916 9.803 1.627 1.00 43.23 H new ATOM 0 HG23 ILE A 118 2.271 8.147 1.726 1.00 43.23 H new ATOM 0 HD11 ILE A 118 4.621 5.762 -0.876 1.00 41.43 H new ATOM 0 HD12 ILE A 118 5.282 7.414 -0.926 1.00 41.43 H new ATOM 0 HD13 ILE A 118 4.679 6.742 0.608 1.00 41.43 H new ATOM 1858 N HIS A 119 2.050 11.635 -0.530 1.00 53.33 N ATOM 1859 CA HIS A 119 1.951 13.002 0.004 1.00 12.14 C ATOM 1860 C HIS A 119 0.741 13.766 -0.562 1.00 1.34 C ATOM 1861 O HIS A 119 0.242 14.703 0.061 1.00 33.51 O ATOM 1862 CB HIS A 119 3.248 13.768 -0.289 1.00 72.12 C ATOM 1863 CG HIS A 119 4.367 13.444 0.656 1.00 35.22 C ATOM 1864 ND1 HIS A 119 4.628 14.187 1.784 1.00 41.24 N ATOM 1865 CD2 HIS A 119 5.297 12.459 0.638 1.00 70.13 C ATOM 1866 CE1 HIS A 119 5.664 13.681 2.416 1.00 24.31 C ATOM 1867 NE2 HIS A 119 6.091 12.632 1.745 1.00 51.43 N ATOM 0 H HIS A 119 2.757 11.518 -1.256 1.00 53.33 H new ATOM 0 HA HIS A 119 1.803 12.925 1.081 1.00 12.14 H new ATOM 0 HB2 HIS A 119 3.568 13.546 -1.307 1.00 72.12 H new ATOM 0 HB3 HIS A 119 3.045 14.838 -0.245 1.00 72.12 H new ATOM 0 HD2 HIS A 119 5.395 11.683 -0.107 1.00 70.13 H new ATOM 0 HE1 HIS A 119 6.092 14.062 3.331 1.00 24.31 H new ATOM 0 HE2 HIS A 119 6.883 12.044 2.005 1.00 51.43 H new ATOM 1876 N ASP A 120 0.269 13.352 -1.727 1.00 13.35 N ATOM 1877 CA ASP A 120 -0.824 14.038 -2.421 1.00 50.34 C ATOM 1878 C ASP A 120 -2.200 13.697 -1.818 1.00 44.04 C ATOM 1879 O ASP A 120 -3.057 14.572 -1.670 1.00 54.24 O ATOM 1880 CB ASP A 120 -0.779 13.666 -3.913 1.00 51.41 C ATOM 1881 CG ASP A 120 -1.948 14.217 -4.705 1.00 44.13 C ATOM 1882 OD1 ASP A 120 -1.980 15.439 -4.959 1.00 62.32 O ATOM 1883 OD2 ASP A 120 -2.844 13.434 -5.066 1.00 10.31 O ATOM 0 H ASP A 120 0.627 12.535 -2.222 1.00 13.35 H new ATOM 0 HA ASP A 120 -0.688 15.113 -2.300 1.00 50.34 H new ATOM 0 HB2 ASP A 120 0.150 14.037 -4.345 1.00 51.41 H new ATOM 0 HB3 ASP A 120 -0.764 12.580 -4.009 1.00 51.41 H new ATOM 1888 N ARG A 121 -2.400 12.432 -1.460 1.00 52.22 N ATOM 1889 CA ARG A 121 -3.711 11.959 -0.987 1.00 11.42 C ATOM 1890 C ARG A 121 -3.646 11.254 0.380 1.00 43.10 C ATOM 1891 O ARG A 121 -4.360 11.630 1.311 1.00 45.21 O ATOM 1892 CB ARG A 121 -4.323 11.034 -2.046 1.00 52.44 C ATOM 1893 CG ARG A 121 -4.996 11.790 -3.190 1.00 35.03 C ATOM 1894 CD ARG A 121 -5.277 10.898 -4.397 1.00 53.05 C ATOM 1895 NE ARG A 121 -6.396 11.396 -5.199 1.00 41.14 N ATOM 1896 CZ ARG A 121 -6.373 12.492 -5.913 1.00 45.35 C ATOM 1897 NH1 ARG A 121 -5.305 13.221 -5.993 1.00 54.12 N ATOM 1898 NH2 ARG A 121 -7.432 12.862 -6.552 1.00 51.02 N ATOM 0 H ARG A 121 -1.677 11.713 -1.486 1.00 52.22 H new ATOM 0 HA ARG A 121 -4.343 12.835 -0.840 1.00 11.42 H new ATOM 0 HB2 ARG A 121 -3.542 10.392 -2.453 1.00 52.44 H new ATOM 0 HB3 ARG A 121 -5.055 10.382 -1.570 1.00 52.44 H new ATOM 0 HG2 ARG A 121 -5.932 12.221 -2.835 1.00 35.03 H new ATOM 0 HG3 ARG A 121 -4.359 12.620 -3.496 1.00 35.03 H new ATOM 0 HD2 ARG A 121 -4.384 10.838 -5.019 1.00 53.05 H new ATOM 0 HD3 ARG A 121 -5.497 9.886 -4.057 1.00 53.05 H new ATOM 0 HE ARG A 121 -7.257 10.848 -5.201 1.00 41.14 H new ATOM 0 HH11 ARG A 121 -4.460 12.944 -5.493 1.00 54.12 H new ATOM 0 HH12 ARG A 121 -5.309 14.072 -6.556 1.00 54.12 H new ATOM 0 HH21 ARG A 121 -8.282 12.301 -6.499 1.00 51.02 H new ATOM 0 HH22 ARG A 121 -7.419 13.716 -7.110 1.00 51.02 H new ATOM 1912 N MET A 122 -2.793 10.240 0.507 1.00 64.44 N ATOM 1913 CA MET A 122 -2.727 9.443 1.742 1.00 15.34 C ATOM 1914 C MET A 122 -2.386 10.286 2.987 1.00 4.25 C ATOM 1915 O MET A 122 -3.113 10.247 3.983 1.00 60.33 O ATOM 1916 CB MET A 122 -1.725 8.291 1.587 1.00 44.05 C ATOM 1917 CG MET A 122 -2.276 7.110 0.800 1.00 43.22 C ATOM 1918 SD MET A 122 -1.115 5.735 0.716 1.00 30.41 S ATOM 1919 CE MET A 122 -2.191 4.412 0.173 1.00 44.32 C ATOM 0 H MET A 122 -2.140 9.948 -0.221 1.00 64.44 H new ATOM 0 HA MET A 122 -3.726 9.036 1.902 1.00 15.34 H new ATOM 0 HB2 MET A 122 -0.829 8.663 1.089 1.00 44.05 H new ATOM 0 HB3 MET A 122 -1.421 7.948 2.576 1.00 44.05 H new ATOM 0 HG2 MET A 122 -3.203 6.771 1.262 1.00 43.22 H new ATOM 0 HG3 MET A 122 -2.523 7.435 -0.211 1.00 43.22 H new ATOM 0 HE1 MET A 122 -1.696 3.453 0.327 1.00 44.32 H new ATOM 0 HE2 MET A 122 -3.118 4.438 0.746 1.00 44.32 H new ATOM 0 HE3 MET A 122 -2.416 4.538 -0.886 1.00 44.32 H new ATOM 1929 N ILE A 123 -1.287 11.044 2.932 1.00 71.02 N ATOM 1930 CA ILE A 123 -0.860 11.874 4.071 1.00 65.34 C ATOM 1931 C ILE A 123 -1.994 12.812 4.552 1.00 65.51 C ATOM 1932 O ILE A 123 -2.330 12.808 5.736 1.00 44.43 O ATOM 1933 CB ILE A 123 0.418 12.704 3.751 1.00 54.52 C ATOM 1934 CG1 ILE A 123 1.592 11.784 3.366 1.00 50.34 C ATOM 1935 CG2 ILE A 123 0.803 13.593 4.933 1.00 61.22 C ATOM 1936 CD1 ILE A 123 2.030 10.830 4.459 1.00 53.14 C ATOM 0 H ILE A 123 -0.677 11.103 2.117 1.00 71.02 H new ATOM 0 HA ILE A 123 -0.617 11.181 4.876 1.00 65.34 H new ATOM 0 HB ILE A 123 0.192 13.345 2.899 1.00 54.52 H new ATOM 0 HG12 ILE A 123 1.309 11.204 2.487 1.00 50.34 H new ATOM 0 HG13 ILE A 123 2.442 12.403 3.079 1.00 50.34 H new ATOM 0 HG21 ILE A 123 1.699 14.162 4.684 1.00 61.22 H new ATOM 0 HG22 ILE A 123 -0.014 14.280 5.153 1.00 61.22 H new ATOM 0 HG23 ILE A 123 0.999 12.972 5.807 1.00 61.22 H new ATOM 0 HD11 ILE A 123 2.860 10.222 4.100 1.00 53.14 H new ATOM 0 HD12 ILE A 123 2.348 11.399 5.333 1.00 53.14 H new ATOM 0 HD13 ILE A 123 1.197 10.182 4.732 1.00 53.14 H new ATOM 1948 N PRO A 124 -2.605 13.628 3.652 1.00 52.23 N ATOM 1949 CA PRO A 124 -3.766 14.466 4.009 1.00 12.12 C ATOM 1950 C PRO A 124 -4.860 13.701 4.780 1.00 31.54 C ATOM 1951 O PRO A 124 -5.346 14.172 5.815 1.00 71.31 O ATOM 1952 CB PRO A 124 -4.289 14.929 2.647 1.00 21.35 C ATOM 1953 CG PRO A 124 -3.074 14.981 1.788 1.00 14.14 C ATOM 1954 CD PRO A 124 -2.203 13.837 2.240 1.00 42.22 C ATOM 0 HA PRO A 124 -3.484 15.277 4.681 1.00 12.12 H new ATOM 0 HB2 PRO A 124 -5.029 14.236 2.248 1.00 21.35 H new ATOM 0 HB3 PRO A 124 -4.770 15.905 2.716 1.00 21.35 H new ATOM 0 HG2 PRO A 124 -3.335 14.881 0.734 1.00 14.14 H new ATOM 0 HG3 PRO A 124 -2.557 15.934 1.899 1.00 14.14 H new ATOM 0 HD2 PRO A 124 -2.371 12.943 1.639 1.00 42.22 H new ATOM 0 HD3 PRO A 124 -1.144 14.082 2.157 1.00 42.22 H new ATOM 1962 N HIS A 125 -5.245 12.524 4.280 1.00 64.15 N ATOM 1963 CA HIS A 125 -6.254 11.696 4.957 1.00 44.34 C ATOM 1964 C HIS A 125 -5.782 11.251 6.352 1.00 54.52 C ATOM 1965 O HIS A 125 -6.523 11.366 7.330 1.00 72.10 O ATOM 1966 CB HIS A 125 -6.622 10.470 4.107 1.00 11.34 C ATOM 1967 CG HIS A 125 -7.498 10.791 2.933 1.00 23.51 C ATOM 1968 ND1 HIS A 125 -8.671 11.492 3.090 1.00 53.34 N ATOM 1969 CD2 HIS A 125 -7.336 10.493 1.620 1.00 61.11 C ATOM 1970 CE1 HIS A 125 -9.189 11.606 1.880 1.00 13.05 C ATOM 1971 NE2 HIS A 125 -8.417 11.018 0.962 1.00 32.21 N ATOM 0 H HIS A 125 -4.879 12.123 3.417 1.00 64.15 H new ATOM 0 HA HIS A 125 -7.143 12.314 5.083 1.00 44.34 H new ATOM 0 HB2 HIS A 125 -5.706 10.000 3.748 1.00 11.34 H new ATOM 0 HB3 HIS A 125 -7.129 9.740 4.738 1.00 11.34 H new ATOM 0 HD2 HIS A 125 -6.515 9.948 1.179 1.00 61.11 H new ATOM 0 HE1 HIS A 125 -10.118 12.110 1.661 1.00 13.05 H new ATOM 0 HE2 HIS A 125 -8.598 10.969 -0.041 1.00 32.21 H new ATOM 1979 N PHE A 126 -4.546 10.761 6.443 1.00 22.33 N ATOM 1980 CA PHE A 126 -3.979 10.315 7.726 1.00 3.52 C ATOM 1981 C PHE A 126 -3.920 11.467 8.743 1.00 75.41 C ATOM 1982 O PHE A 126 -4.229 11.283 9.922 1.00 73.13 O ATOM 1983 CB PHE A 126 -2.577 9.719 7.521 1.00 14.03 C ATOM 1984 CG PHE A 126 -2.538 8.536 6.579 1.00 31.31 C ATOM 1985 CD1 PHE A 126 -3.644 7.705 6.423 1.00 34.21 C ATOM 1986 CD2 PHE A 126 -1.394 8.257 5.846 1.00 73.31 C ATOM 1987 CE1 PHE A 126 -3.603 6.627 5.559 1.00 14.03 C ATOM 1988 CE2 PHE A 126 -1.350 7.180 4.983 1.00 74.35 C ATOM 1989 CZ PHE A 126 -2.457 6.363 4.839 1.00 62.14 C ATOM 0 H PHE A 126 -3.915 10.661 5.648 1.00 22.33 H new ATOM 0 HA PHE A 126 -4.636 9.543 8.126 1.00 3.52 H new ATOM 0 HB2 PHE A 126 -1.916 10.497 7.137 1.00 14.03 H new ATOM 0 HB3 PHE A 126 -2.180 9.412 8.489 1.00 14.03 H new ATOM 0 HD1 PHE A 126 -4.545 7.905 6.984 1.00 34.21 H new ATOM 0 HD2 PHE A 126 -0.526 8.891 5.952 1.00 73.31 H new ATOM 0 HE1 PHE A 126 -4.469 5.991 5.448 1.00 14.03 H new ATOM 0 HE2 PHE A 126 -0.451 6.975 4.420 1.00 74.35 H new ATOM 0 HZ PHE A 126 -2.424 5.520 4.164 1.00 62.14 H new ATOM 1999 N ARG A 127 -3.532 12.655 8.275 1.00 11.04 N ATOM 2000 CA ARG A 127 -3.510 13.861 9.120 1.00 61.45 C ATOM 2001 C ARG A 127 -4.923 14.231 9.601 1.00 74.24 C ATOM 2002 O ARG A 127 -5.100 14.784 10.689 1.00 54.43 O ATOM 2003 CB ARG A 127 -2.900 15.042 8.346 1.00 0.30 C ATOM 2004 CG ARG A 127 -1.450 14.822 7.923 1.00 61.44 C ATOM 2005 CD ARG A 127 -0.914 15.983 7.087 1.00 31.22 C ATOM 2006 NE ARG A 127 -0.763 17.217 7.861 1.00 14.24 N ATOM 2007 CZ ARG A 127 -0.317 18.343 7.366 1.00 73.21 C ATOM 2008 NH1 ARG A 127 -0.085 18.461 6.094 1.00 65.25 N ATOM 2009 NH2 ARG A 127 -0.127 19.359 8.144 1.00 61.32 N ATOM 0 H ARG A 127 -3.227 12.813 7.314 1.00 11.04 H new ATOM 0 HA ARG A 127 -2.896 13.644 9.994 1.00 61.45 H new ATOM 0 HB2 ARG A 127 -3.503 15.231 7.458 1.00 0.30 H new ATOM 0 HB3 ARG A 127 -2.956 15.937 8.966 1.00 0.30 H new ATOM 0 HG2 ARG A 127 -0.829 14.697 8.810 1.00 61.44 H new ATOM 0 HG3 ARG A 127 -1.376 13.898 7.349 1.00 61.44 H new ATOM 0 HD2 ARG A 127 0.051 15.705 6.663 1.00 31.22 H new ATOM 0 HD3 ARG A 127 -1.589 16.164 6.250 1.00 31.22 H new ATOM 0 HE ARG A 127 -1.022 17.197 8.847 1.00 14.24 H new ATOM 0 HH11 ARG A 127 -0.250 17.671 5.470 1.00 65.25 H new ATOM 0 HH12 ARG A 127 0.263 19.343 5.719 1.00 65.25 H new ATOM 0 HH21 ARG A 127 -0.325 19.281 9.142 1.00 61.32 H new ATOM 0 HH22 ARG A 127 0.221 20.238 7.760 1.00 61.32 H new ATOM 2023 N SER A 128 -5.925 13.928 8.776 1.00 0.21 N ATOM 2024 CA SER A 128 -7.332 14.180 9.125 1.00 1.04 C ATOM 2025 C SER A 128 -7.907 13.049 9.997 1.00 51.14 C ATOM 2026 O SER A 128 -8.927 13.222 10.668 1.00 11.33 O ATOM 2027 CB SER A 128 -8.172 14.338 7.848 1.00 50.32 C ATOM 2028 OG SER A 128 -9.512 14.702 8.145 1.00 33.53 O ATOM 0 H SER A 128 -5.792 13.506 7.857 1.00 0.21 H new ATOM 0 HA SER A 128 -7.374 15.104 9.702 1.00 1.04 H new ATOM 0 HB2 SER A 128 -7.722 15.096 7.207 1.00 50.32 H new ATOM 0 HB3 SER A 128 -8.164 13.403 7.289 1.00 50.32 H new ATOM 0 HG SER A 128 -10.018 14.796 7.311 1.00 33.53 H new ATOM 2034 N GLY A 129 -7.241 11.892 9.988 1.00 34.43 N ATOM 2035 CA GLY A 129 -7.668 10.756 10.807 1.00 73.51 C ATOM 2036 C GLY A 129 -8.284 9.616 9.997 1.00 1.31 C ATOM 2037 O GLY A 129 -8.715 8.606 10.559 1.00 33.21 O ATOM 0 H GLY A 129 -6.408 11.718 9.426 1.00 34.43 H new ATOM 0 HA2 GLY A 129 -6.810 10.375 11.361 1.00 73.51 H new ATOM 0 HA3 GLY A 129 -8.394 11.102 11.543 1.00 73.51 H new ATOM 2041 N ASN A 130 -8.322 9.768 8.676 1.00 11.13 N ATOM 2042 CA ASN A 130 -8.907 8.753 7.792 1.00 31.42 C ATOM 2043 C ASN A 130 -7.848 7.773 7.252 1.00 15.52 C ATOM 2044 O ASN A 130 -7.357 7.931 6.131 1.00 14.21 O ATOM 2045 CB ASN A 130 -9.619 9.418 6.612 1.00 31.40 C ATOM 2046 CG ASN A 130 -10.799 10.278 7.015 1.00 72.25 C ATOM 2047 OD1 ASN A 130 -11.411 10.081 8.057 1.00 3.31 O ATOM 2048 ND2 ASN A 130 -11.143 11.223 6.165 1.00 73.12 N ATOM 0 H ASN A 130 -7.955 10.585 8.189 1.00 11.13 H new ATOM 0 HA ASN A 130 -9.622 8.188 8.390 1.00 31.42 H new ATOM 0 HB2 ASN A 130 -8.903 10.033 6.067 1.00 31.40 H new ATOM 0 HB3 ASN A 130 -9.963 8.645 5.925 1.00 31.40 H new ATOM 0 HD21 ASN A 130 -11.944 11.822 6.365 1.00 73.12 H new ATOM 0 HD22 ASN A 130 -10.608 11.356 5.307 1.00 73.12 H new ATOM 2055 N TYR A 131 -7.494 6.766 8.046 1.00 60.34 N ATOM 2056 CA TYR A 131 -6.538 5.740 7.606 1.00 5.23 C ATOM 2057 C TYR A 131 -7.157 4.811 6.549 1.00 74.21 C ATOM 2058 O TYR A 131 -6.604 4.641 5.462 1.00 14.24 O ATOM 2059 CB TYR A 131 -6.015 4.936 8.805 1.00 2.41 C ATOM 2060 CG TYR A 131 -5.192 5.779 9.762 1.00 42.13 C ATOM 2061 CD1 TYR A 131 -3.855 6.055 9.496 1.00 40.21 C ATOM 2062 CD2 TYR A 131 -5.751 6.314 10.918 1.00 63.14 C ATOM 2063 CE1 TYR A 131 -3.103 6.840 10.347 1.00 41.22 C ATOM 2064 CE2 TYR A 131 -5.004 7.098 11.776 1.00 15.43 C ATOM 2065 CZ TYR A 131 -3.682 7.358 11.486 1.00 2.41 C ATOM 2066 OH TYR A 131 -2.934 8.143 12.335 1.00 42.12 O ATOM 0 H TYR A 131 -7.849 6.634 8.993 1.00 60.34 H new ATOM 0 HA TYR A 131 -5.694 6.249 7.141 1.00 5.23 H new ATOM 0 HB2 TYR A 131 -6.859 4.503 9.342 1.00 2.41 H new ATOM 0 HB3 TYR A 131 -5.407 4.106 8.444 1.00 2.41 H new ATOM 0 HD1 TYR A 131 -3.397 5.648 8.607 1.00 40.21 H new ATOM 0 HD2 TYR A 131 -6.787 6.113 11.149 1.00 63.14 H new ATOM 0 HE1 TYR A 131 -2.067 7.047 10.122 1.00 41.22 H new ATOM 0 HE2 TYR A 131 -5.454 7.505 12.670 1.00 15.43 H new ATOM 0 HH TYR A 131 -3.033 7.817 13.254 1.00 42.12 H new ATOM 2076 N ALA A 132 -8.313 4.224 6.866 1.00 33.12 N ATOM 2077 CA ALA A 132 -9.023 3.338 5.925 1.00 4.03 C ATOM 2078 C ALA A 132 -9.350 4.060 4.606 1.00 65.40 C ATOM 2079 O ALA A 132 -9.137 3.523 3.516 1.00 12.11 O ATOM 2080 CB ALA A 132 -10.299 2.802 6.567 1.00 60.34 C ATOM 0 H ALA A 132 -8.781 4.342 7.764 1.00 33.12 H new ATOM 0 HA ALA A 132 -8.363 2.503 5.690 1.00 4.03 H new ATOM 0 HB1 ALA A 132 -10.814 2.149 5.862 1.00 60.34 H new ATOM 0 HB2 ALA A 132 -10.046 2.239 7.465 1.00 60.34 H new ATOM 0 HB3 ALA A 132 -10.950 3.635 6.833 1.00 60.34 H new ATOM 2086 N GLU A 133 -9.867 5.283 4.721 1.00 13.44 N ATOM 2087 CA GLU A 133 -10.165 6.128 3.557 1.00 25.12 C ATOM 2088 C GLU A 133 -8.913 6.332 2.682 1.00 40.33 C ATOM 2089 O GLU A 133 -8.933 6.053 1.483 1.00 54.10 O ATOM 2090 CB GLU A 133 -10.698 7.484 4.049 1.00 55.44 C ATOM 2091 CG GLU A 133 -10.987 8.516 2.959 1.00 44.34 C ATOM 2092 CD GLU A 133 -12.211 8.186 2.116 1.00 50.15 C ATOM 2093 OE1 GLU A 133 -12.115 7.346 1.202 1.00 13.54 O ATOM 2094 OE2 GLU A 133 -13.281 8.781 2.367 1.00 40.42 O ATOM 0 H GLU A 133 -10.091 5.717 5.616 1.00 13.44 H new ATOM 0 HA GLU A 133 -10.918 5.634 2.944 1.00 25.12 H new ATOM 0 HB2 GLU A 133 -11.615 7.311 4.612 1.00 55.44 H new ATOM 0 HB3 GLU A 133 -9.973 7.909 4.743 1.00 55.44 H new ATOM 0 HG2 GLU A 133 -11.128 9.492 3.423 1.00 44.34 H new ATOM 0 HG3 GLU A 133 -10.118 8.596 2.306 1.00 44.34 H new ATOM 2101 N GLY A 134 -7.818 6.785 3.304 1.00 60.04 N ATOM 2102 CA GLY A 134 -6.571 7.018 2.578 1.00 13.24 C ATOM 2103 C GLY A 134 -6.028 5.771 1.884 1.00 54.52 C ATOM 2104 O GLY A 134 -5.588 5.829 0.737 1.00 24.22 O ATOM 0 H GLY A 134 -7.773 6.995 4.301 1.00 60.04 H new ATOM 0 HA2 GLY A 134 -6.734 7.797 1.833 1.00 13.24 H new ATOM 0 HA3 GLY A 134 -5.820 7.393 3.273 1.00 13.24 H new ATOM 2108 N LEU A 135 -6.056 4.640 2.584 1.00 73.42 N ATOM 2109 CA LEU A 135 -5.628 3.362 2.003 1.00 31.14 C ATOM 2110 C LEU A 135 -6.471 2.995 0.773 1.00 61.31 C ATOM 2111 O LEU A 135 -5.942 2.785 -0.320 1.00 4.14 O ATOM 2112 CB LEU A 135 -5.736 2.239 3.042 1.00 5.41 C ATOM 2113 CG LEU A 135 -4.804 2.359 4.256 1.00 10.51 C ATOM 2114 CD1 LEU A 135 -5.053 1.212 5.231 1.00 21.54 C ATOM 2115 CD2 LEU A 135 -3.341 2.392 3.813 1.00 2.15 C ATOM 0 H LEU A 135 -6.369 4.578 3.553 1.00 73.42 H new ATOM 0 HA LEU A 135 -4.589 3.476 1.693 1.00 31.14 H new ATOM 0 HB2 LEU A 135 -6.765 2.199 3.400 1.00 5.41 H new ATOM 0 HB3 LEU A 135 -5.534 1.290 2.545 1.00 5.41 H new ATOM 0 HG LEU A 135 -5.020 3.297 4.768 1.00 10.51 H new ATOM 0 HD11 LEU A 135 -4.385 1.310 6.087 1.00 21.54 H new ATOM 0 HD12 LEU A 135 -6.088 1.243 5.573 1.00 21.54 H new ATOM 0 HD13 LEU A 135 -4.865 0.262 4.731 1.00 21.54 H new ATOM 0 HD21 LEU A 135 -2.698 2.477 4.689 1.00 2.15 H new ATOM 0 HD22 LEU A 135 -3.103 1.474 3.276 1.00 2.15 H new ATOM 0 HD23 LEU A 135 -3.178 3.248 3.158 1.00 2.15 H new ATOM 2127 N SER A 136 -7.787 2.928 0.964 1.00 21.20 N ATOM 2128 CA SER A 136 -8.715 2.528 -0.103 1.00 52.31 C ATOM 2129 C SER A 136 -8.581 3.407 -1.354 1.00 41.31 C ATOM 2130 O SER A 136 -8.366 2.901 -2.461 1.00 45.04 O ATOM 2131 CB SER A 136 -10.163 2.575 0.399 1.00 40.32 C ATOM 2132 OG SER A 136 -11.083 2.331 -0.655 1.00 33.00 O ATOM 0 H SER A 136 -8.241 3.146 1.851 1.00 21.20 H new ATOM 0 HA SER A 136 -8.452 1.507 -0.381 1.00 52.31 H new ATOM 0 HB2 SER A 136 -10.302 1.833 1.185 1.00 40.32 H new ATOM 0 HB3 SER A 136 -10.365 3.550 0.842 1.00 40.32 H new ATOM 0 HG SER A 136 -11.998 2.366 -0.305 1.00 33.00 H new ATOM 2138 N GLU A 137 -8.696 4.722 -1.178 1.00 44.31 N ATOM 2139 CA GLU A 137 -8.673 5.651 -2.311 1.00 55.44 C ATOM 2140 C GLU A 137 -7.246 5.831 -2.868 1.00 15.42 C ATOM 2141 O GLU A 137 -7.068 6.071 -4.066 1.00 54.43 O ATOM 2142 CB GLU A 137 -9.296 7.002 -1.910 1.00 32.20 C ATOM 2143 CG GLU A 137 -8.430 7.873 -1.002 1.00 42.12 C ATOM 2144 CD GLU A 137 -7.950 9.129 -1.708 1.00 41.25 C ATOM 2145 OE1 GLU A 137 -8.713 10.122 -1.748 1.00 74.42 O ATOM 2146 OE2 GLU A 137 -6.834 9.116 -2.255 1.00 41.31 O ATOM 0 H GLU A 137 -8.806 5.169 -0.267 1.00 44.31 H new ATOM 0 HA GLU A 137 -9.275 5.223 -3.112 1.00 55.44 H new ATOM 0 HB2 GLU A 137 -9.522 7.563 -2.817 1.00 32.20 H new ATOM 0 HB3 GLU A 137 -10.244 6.812 -1.408 1.00 32.20 H new ATOM 0 HG2 GLU A 137 -9.000 8.151 -0.115 1.00 42.12 H new ATOM 0 HG3 GLU A 137 -7.569 7.298 -0.661 1.00 42.12 H new ATOM 2153 N GLY A 138 -6.236 5.706 -2.002 1.00 42.40 N ATOM 2154 CA GLY A 138 -4.845 5.730 -2.452 1.00 14.41 C ATOM 2155 C GLY A 138 -4.522 4.582 -3.408 1.00 4.21 C ATOM 2156 O GLY A 138 -3.924 4.789 -4.469 1.00 33.23 O ATOM 0 H GLY A 138 -6.355 5.588 -0.996 1.00 42.40 H new ATOM 0 HA2 GLY A 138 -4.643 6.680 -2.947 1.00 14.41 H new ATOM 0 HA3 GLY A 138 -4.185 5.675 -1.586 1.00 14.41 H new ATOM 2160 N VAL A 139 -4.919 3.367 -3.027 1.00 74.23 N ATOM 2161 CA VAL A 139 -4.796 2.195 -3.904 1.00 13.32 C ATOM 2162 C VAL A 139 -5.549 2.425 -5.222 1.00 33.02 C ATOM 2163 O VAL A 139 -5.038 2.137 -6.307 1.00 34.53 O ATOM 2164 CB VAL A 139 -5.347 0.919 -3.216 1.00 1.15 C ATOM 2165 CG1 VAL A 139 -5.374 -0.263 -4.186 1.00 73.32 C ATOM 2166 CG2 VAL A 139 -4.523 0.581 -1.973 1.00 63.44 C ATOM 0 H VAL A 139 -5.330 3.166 -2.115 1.00 74.23 H new ATOM 0 HA VAL A 139 -3.736 2.053 -4.112 1.00 13.32 H new ATOM 0 HB VAL A 139 -6.373 1.119 -2.906 1.00 1.15 H new ATOM 0 HG11 VAL A 139 -5.765 -1.143 -3.676 1.00 73.32 H new ATOM 0 HG12 VAL A 139 -6.013 -0.022 -5.035 1.00 73.32 H new ATOM 0 HG13 VAL A 139 -4.363 -0.467 -4.539 1.00 73.32 H new ATOM 0 HG21 VAL A 139 -4.924 -0.317 -1.504 1.00 63.44 H new ATOM 0 HG22 VAL A 139 -3.486 0.408 -2.260 1.00 63.44 H new ATOM 0 HG23 VAL A 139 -4.571 1.411 -1.268 1.00 63.44 H new ATOM 2176 N LEU A 140 -6.767 2.953 -5.113 1.00 54.20 N ATOM 2177 CA LEU A 140 -7.572 3.303 -6.290 1.00 30.21 C ATOM 2178 C LEU A 140 -6.841 4.320 -7.189 1.00 42.40 C ATOM 2179 O LEU A 140 -6.914 4.243 -8.417 1.00 3.03 O ATOM 2180 CB LEU A 140 -8.932 3.866 -5.851 1.00 60.30 C ATOM 2181 CG LEU A 140 -9.904 4.225 -6.989 1.00 61.04 C ATOM 2182 CD1 LEU A 140 -10.252 2.990 -7.821 1.00 32.05 C ATOM 2183 CD2 LEU A 140 -11.166 4.877 -6.428 1.00 5.14 C ATOM 0 H LEU A 140 -7.222 3.149 -4.221 1.00 54.20 H new ATOM 0 HA LEU A 140 -7.730 2.395 -6.871 1.00 30.21 H new ATOM 0 HB2 LEU A 140 -9.415 3.135 -5.202 1.00 60.30 H new ATOM 0 HB3 LEU A 140 -8.758 4.759 -5.251 1.00 60.30 H new ATOM 0 HG LEU A 140 -9.411 4.942 -7.646 1.00 61.04 H new ATOM 0 HD11 LEU A 140 -10.940 3.271 -8.618 1.00 32.05 H new ATOM 0 HD12 LEU A 140 -9.342 2.576 -8.256 1.00 32.05 H new ATOM 0 HD13 LEU A 140 -10.722 2.242 -7.183 1.00 32.05 H new ATOM 0 HD21 LEU A 140 -11.842 5.124 -7.246 1.00 5.14 H new ATOM 0 HD22 LEU A 140 -11.660 4.186 -5.745 1.00 5.14 H new ATOM 0 HD23 LEU A 140 -10.898 5.787 -5.891 1.00 5.14 H new ATOM 2195 N ALA A 141 -6.127 5.261 -6.567 1.00 54.41 N ATOM 2196 CA ALA A 141 -5.349 6.269 -7.304 1.00 33.12 C ATOM 2197 C ALA A 141 -4.261 5.611 -8.161 1.00 55.03 C ATOM 2198 O ALA A 141 -4.028 6.004 -9.306 1.00 1.11 O ATOM 2199 CB ALA A 141 -4.727 7.271 -6.338 1.00 3.12 C ATOM 0 H ALA A 141 -6.069 5.349 -5.552 1.00 54.41 H new ATOM 0 HA ALA A 141 -6.030 6.798 -7.970 1.00 33.12 H new ATOM 0 HB1 ALA A 141 -4.155 8.010 -6.899 1.00 3.12 H new ATOM 0 HB2 ALA A 141 -5.515 7.772 -5.776 1.00 3.12 H new ATOM 0 HB3 ALA A 141 -4.066 6.748 -5.647 1.00 3.12 H new ATOM 2205 N VAL A 142 -3.601 4.605 -7.588 1.00 75.24 N ATOM 2206 CA VAL A 142 -2.601 3.811 -8.311 1.00 4.33 C ATOM 2207 C VAL A 142 -3.259 3.008 -9.446 1.00 42.14 C ATOM 2208 O VAL A 142 -2.769 2.982 -10.578 1.00 44.42 O ATOM 2209 CB VAL A 142 -1.869 2.841 -7.347 1.00 23.42 C ATOM 2210 CG1 VAL A 142 -0.828 2.008 -8.090 1.00 22.21 C ATOM 2211 CG2 VAL A 142 -1.232 3.609 -6.190 1.00 21.41 C ATOM 0 H VAL A 142 -3.740 4.317 -6.619 1.00 75.24 H new ATOM 0 HA VAL A 142 -1.875 4.502 -8.740 1.00 4.33 H new ATOM 0 HB VAL A 142 -2.608 2.155 -6.933 1.00 23.42 H new ATOM 0 HG11 VAL A 142 -0.331 1.337 -7.389 1.00 22.21 H new ATOM 0 HG12 VAL A 142 -1.318 1.422 -8.867 1.00 22.21 H new ATOM 0 HG13 VAL A 142 -0.090 2.669 -8.545 1.00 22.21 H new ATOM 0 HG21 VAL A 142 -0.724 2.910 -5.526 1.00 21.41 H new ATOM 0 HG22 VAL A 142 -0.511 4.326 -6.582 1.00 21.41 H new ATOM 0 HG23 VAL A 142 -2.006 4.139 -5.635 1.00 21.41 H new ATOM 2221 N GLN A 143 -4.382 2.365 -9.126 1.00 2.34 N ATOM 2222 CA GLN A 143 -5.169 1.603 -10.106 1.00 25.15 C ATOM 2223 C GLN A 143 -5.527 2.469 -11.330 1.00 71.24 C ATOM 2224 O GLN A 143 -5.426 2.024 -12.473 1.00 65.44 O ATOM 2225 CB GLN A 143 -6.446 1.073 -9.431 1.00 75.12 C ATOM 2226 CG GLN A 143 -7.233 0.060 -10.258 1.00 14.32 C ATOM 2227 CD GLN A 143 -8.434 -0.500 -9.508 1.00 75.54 C ATOM 2228 OE1 GLN A 143 -8.443 -0.572 -8.283 1.00 61.14 O ATOM 2229 NE2 GLN A 143 -9.449 -0.917 -10.233 1.00 1.10 N ATOM 0 H GLN A 143 -4.774 2.355 -8.184 1.00 2.34 H new ATOM 0 HA GLN A 143 -4.569 0.765 -10.461 1.00 25.15 H new ATOM 0 HB2 GLN A 143 -6.174 0.613 -8.481 1.00 75.12 H new ATOM 0 HB3 GLN A 143 -7.096 1.917 -9.201 1.00 75.12 H new ATOM 0 HG2 GLN A 143 -7.573 0.534 -11.179 1.00 14.32 H new ATOM 0 HG3 GLN A 143 -6.574 -0.759 -10.545 1.00 14.32 H new ATOM 0 HE21 GLN A 143 -9.413 -0.845 -11.250 1.00 1.10 H new ATOM 0 HE22 GLN A 143 -10.272 -1.313 -9.778 1.00 1.10 H new ATOM 2238 N GLN A 144 -5.936 3.715 -11.073 1.00 60.10 N ATOM 2239 CA GLN A 144 -6.252 4.684 -12.138 1.00 55.24 C ATOM 2240 C GLN A 144 -5.109 4.822 -13.159 1.00 12.04 C ATOM 2241 O GLN A 144 -5.344 4.907 -14.368 1.00 3.41 O ATOM 2242 CB GLN A 144 -6.556 6.058 -11.519 1.00 4.50 C ATOM 2243 CG GLN A 144 -7.889 6.127 -10.781 1.00 22.05 C ATOM 2244 CD GLN A 144 -9.085 6.171 -11.721 1.00 4.51 C ATOM 2245 OE1 GLN A 144 -9.006 6.702 -12.824 1.00 21.32 O ATOM 2246 NE2 GLN A 144 -10.200 5.616 -11.296 1.00 73.11 N ATOM 0 H GLN A 144 -6.058 4.083 -10.130 1.00 60.10 H new ATOM 0 HA GLN A 144 -7.126 4.309 -12.670 1.00 55.24 H new ATOM 0 HB2 GLN A 144 -5.755 6.318 -10.826 1.00 4.50 H new ATOM 0 HB3 GLN A 144 -6.551 6.810 -12.308 1.00 4.50 H new ATOM 0 HG2 GLN A 144 -7.981 5.261 -10.125 1.00 22.05 H new ATOM 0 HG3 GLN A 144 -7.901 7.012 -10.145 1.00 22.05 H new ATOM 0 HE21 GLN A 144 -10.234 5.182 -10.374 1.00 73.11 H new ATOM 0 HE22 GLN A 144 -11.030 5.620 -11.889 1.00 73.11 H new ATOM 2255 N VAL A 145 -3.872 4.843 -12.666 1.00 53.23 N ATOM 2256 CA VAL A 145 -2.696 4.999 -13.530 1.00 51.31 C ATOM 2257 C VAL A 145 -2.539 3.812 -14.495 1.00 1.12 C ATOM 2258 O VAL A 145 -2.132 3.982 -15.645 1.00 41.31 O ATOM 2259 CB VAL A 145 -1.399 5.150 -12.698 1.00 12.12 C ATOM 2260 CG1 VAL A 145 -0.195 5.396 -13.606 1.00 61.55 C ATOM 2261 CG2 VAL A 145 -1.542 6.271 -11.668 1.00 74.13 C ATOM 0 H VAL A 145 -3.655 4.754 -11.673 1.00 53.23 H new ATOM 0 HA VAL A 145 -2.857 5.908 -14.110 1.00 51.31 H new ATOM 0 HB VAL A 145 -1.231 4.216 -12.161 1.00 12.12 H new ATOM 0 HG11 VAL A 145 0.704 5.499 -12.998 1.00 61.55 H new ATOM 0 HG12 VAL A 145 -0.077 4.555 -14.289 1.00 61.55 H new ATOM 0 HG13 VAL A 145 -0.352 6.310 -14.179 1.00 61.55 H new ATOM 0 HG21 VAL A 145 -0.619 6.359 -11.095 1.00 74.13 H new ATOM 0 HG22 VAL A 145 -1.742 7.212 -12.180 1.00 74.13 H new ATOM 0 HG23 VAL A 145 -2.367 6.042 -10.993 1.00 74.13 H new ATOM 2271 N LEU A 146 -2.869 2.613 -14.023 1.00 72.13 N ATOM 2272 CA LEU A 146 -2.776 1.406 -14.853 1.00 4.31 C ATOM 2273 C LEU A 146 -3.763 1.460 -16.031 1.00 53.31 C ATOM 2274 O LEU A 146 -3.365 1.332 -17.189 1.00 15.24 O ATOM 2275 CB LEU A 146 -3.020 0.154 -14.000 1.00 74.21 C ATOM 2276 CG LEU A 146 -1.947 -0.123 -12.933 1.00 71.35 C ATOM 2277 CD1 LEU A 146 -2.338 -1.319 -12.068 1.00 72.11 C ATOM 2278 CD2 LEU A 146 -0.581 -0.349 -13.586 1.00 31.23 C ATOM 0 H LEU A 146 -3.203 2.447 -13.074 1.00 72.13 H new ATOM 0 HA LEU A 146 -1.769 1.358 -15.267 1.00 4.31 H new ATOM 0 HB2 LEU A 146 -3.986 0.252 -13.505 1.00 74.21 H new ATOM 0 HB3 LEU A 146 -3.086 -0.711 -14.661 1.00 74.21 H new ATOM 0 HG LEU A 146 -1.876 0.752 -12.287 1.00 71.35 H new ATOM 0 HD11 LEU A 146 -1.564 -1.496 -11.321 1.00 72.11 H new ATOM 0 HD12 LEU A 146 -3.285 -1.113 -11.569 1.00 72.11 H new ATOM 0 HD13 LEU A 146 -2.444 -2.203 -12.696 1.00 72.11 H new ATOM 0 HD21 LEU A 146 0.164 -0.543 -12.814 1.00 31.23 H new ATOM 0 HD22 LEU A 146 -0.637 -1.204 -14.260 1.00 31.23 H new ATOM 0 HD23 LEU A 146 -0.296 0.539 -14.150 1.00 31.23 H new ATOM 2290 N ASP A 147 -5.044 1.666 -15.729 1.00 64.04 N ATOM 2291 CA ASP A 147 -6.074 1.803 -16.768 1.00 4.32 C ATOM 2292 C ASP A 147 -5.757 2.953 -17.746 1.00 71.32 C ATOM 2293 O ASP A 147 -6.092 2.886 -18.930 1.00 73.42 O ATOM 2294 CB ASP A 147 -7.444 2.031 -16.124 1.00 65.30 C ATOM 2295 CG ASP A 147 -7.931 0.821 -15.347 1.00 31.22 C ATOM 2296 OD1 ASP A 147 -7.581 0.687 -14.157 1.00 3.04 O ATOM 2297 OD2 ASP A 147 -8.681 0.002 -15.922 1.00 35.20 O ATOM 0 H ASP A 147 -5.397 1.742 -14.775 1.00 64.04 H new ATOM 0 HA ASP A 147 -6.087 0.875 -17.340 1.00 4.32 H new ATOM 0 HB2 ASP A 147 -7.389 2.890 -15.455 1.00 65.30 H new ATOM 0 HB3 ASP A 147 -8.170 2.277 -16.899 1.00 65.30 H new