USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 TYR OH : rot 165:sc= 0.504 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -142:sc= 1.61 (180deg=-0.237) USER MOD Set 2.1: A 43 TYR OH : rot 21:sc= 0.987 USER MOD Set 2.2: A 65 GLN : amide:sc= -0.715 K(o=0.27,f=0.99) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -0.761 K(o=-1.4,f=-0.49) USER MOD Set 3.2: A 21 ASN : amide:sc= -0.646 K(o=-1.4,f=-0.76) USER MOD Set 4.1: A 10 TYR OH : rot 180:sc= -0.118 USER MOD Set 4.2: A 45 HIS : no HD1:sc= -0.309 X(o=-0.43,f=-0.26) USER MOD Single : A 8 THR OG1 : rot 171:sc= 0.0014 USER MOD Single : A 14 GLN : amide:sc= -0.0351 K(o=-0.035,f=-0.59) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= 1.35 (180deg=1.11) USER MOD Single : A 19 HIS : no HD1:sc= -0.687 K(o=-0.69,f=0.19) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 89:sc= 0.615 USER MOD Single : A 39 TYR OH : rot 180:sc=-0.00333 USER MOD Single : A 42 THR OG1 : rot 61:sc=-0.000486! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 78:sc= 0.719 USER MOD Single : A 63 TYR OH : rot -157:sc= 0.104 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.92 K(o=-0.92,f=-0.13) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 171:sc= 0.838 (180deg=0.515) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 1.921 1.026 -4.923 1.00 3.10 N ATOM 19 CA ASP A 2 1.700 -0.370 -5.324 1.00 61.15 C ATOM 20 C ASP A 2 2.352 -0.666 -6.694 1.00 53.45 C ATOM 21 O ASP A 2 2.766 0.255 -7.394 1.00 70.33 O ATOM 22 CB ASP A 2 0.195 -0.641 -5.381 1.00 73.53 C ATOM 23 CG ASP A 2 -0.498 -0.286 -4.080 1.00 30.34 C ATOM 24 OD1 ASP A 2 -0.140 -0.868 -3.035 1.00 3.05 O ATOM 25 OD2 ASP A 2 -1.383 0.597 -4.094 1.00 22.11 O ATOM 0 HA ASP A 2 2.165 -1.027 -4.589 1.00 61.15 H new ATOM 0 HB2 ASP A 2 -0.246 -0.066 -6.195 1.00 73.53 H new ATOM 0 HB3 ASP A 2 0.025 -1.694 -5.606 1.00 73.53 H new ATOM 30 N PRO A 3 2.460 -1.958 -7.097 1.00 31.13 N ATOM 31 CA PRO A 3 3.081 -2.358 -8.384 1.00 43.14 C ATOM 32 C PRO A 3 2.623 -1.536 -9.611 1.00 53.33 C ATOM 33 O PRO A 3 3.334 -1.470 -10.617 1.00 54.34 O ATOM 34 CB PRO A 3 2.644 -3.820 -8.531 1.00 11.02 C ATOM 35 CG PRO A 3 2.521 -4.311 -7.129 1.00 70.41 C ATOM 36 CD PRO A 3 2.015 -3.140 -6.324 1.00 41.23 C ATOM 0 HA PRO A 3 4.158 -2.194 -8.360 1.00 43.14 H new ATOM 0 HB2 PRO A 3 1.697 -3.900 -9.065 1.00 11.02 H new ATOM 0 HB3 PRO A 3 3.377 -4.400 -9.093 1.00 11.02 H new ATOM 0 HG2 PRO A 3 1.832 -5.153 -7.069 1.00 70.41 H new ATOM 0 HG3 PRO A 3 3.482 -4.659 -6.751 1.00 70.41 H new ATOM 0 HD2 PRO A 3 0.930 -3.165 -6.221 1.00 41.23 H new ATOM 0 HD3 PRO A 3 2.431 -3.138 -5.316 1.00 41.23 H new ATOM 44 N GLU A 4 1.442 -0.921 -9.536 1.00 2.10 N ATOM 45 CA GLU A 4 0.907 -0.137 -10.658 1.00 30.03 C ATOM 46 C GLU A 4 1.453 1.305 -10.672 1.00 12.34 C ATOM 47 O GLU A 4 1.512 1.943 -11.728 1.00 61.45 O ATOM 48 CB GLU A 4 -0.628 -0.127 -10.614 1.00 22.24 C ATOM 49 CG GLU A 4 -1.241 -1.524 -10.601 1.00 32.15 C ATOM 50 CD GLU A 4 -2.740 -1.513 -10.846 1.00 11.32 C ATOM 51 OE1 GLU A 4 -3.500 -1.198 -9.907 1.00 61.42 O ATOM 52 OE2 GLU A 4 -3.162 -1.815 -11.984 1.00 75.25 O ATOM 0 H GLU A 4 0.837 -0.948 -8.715 1.00 2.10 H new ATOM 0 HA GLU A 4 1.238 -0.617 -11.579 1.00 30.03 H new ATOM 0 HB2 GLU A 4 -0.955 0.414 -9.726 1.00 22.24 H new ATOM 0 HB3 GLU A 4 -1.006 0.420 -11.478 1.00 22.24 H new ATOM 0 HG2 GLU A 4 -0.758 -2.135 -11.364 1.00 32.15 H new ATOM 0 HG3 GLU A 4 -1.038 -1.995 -9.639 1.00 32.15 H new ATOM 59 N ASP A 5 1.849 1.811 -9.503 1.00 75.43 N ATOM 60 CA ASP A 5 2.459 3.142 -9.393 1.00 42.54 C ATOM 61 C ASP A 5 3.742 3.234 -10.245 1.00 53.23 C ATOM 62 O ASP A 5 4.606 2.357 -10.158 1.00 1.33 O ATOM 63 CB ASP A 5 2.788 3.448 -7.926 1.00 20.41 C ATOM 64 CG ASP A 5 1.551 3.525 -7.046 1.00 25.05 C ATOM 65 OD1 ASP A 5 0.814 2.523 -6.952 1.00 54.44 O ATOM 66 OD2 ASP A 5 1.335 4.573 -6.406 1.00 13.44 O ATOM 0 H ASP A 5 1.759 1.319 -8.614 1.00 75.43 H new ATOM 0 HA ASP A 5 1.744 3.876 -9.766 1.00 42.54 H new ATOM 0 HB2 ASP A 5 3.455 2.677 -7.540 1.00 20.41 H new ATOM 0 HB3 ASP A 5 3.327 4.393 -7.869 1.00 20.41 H new ATOM 71 N PRO A 6 3.892 4.305 -11.062 1.00 5.40 N ATOM 72 CA PRO A 6 5.030 4.464 -11.990 1.00 31.41 C ATOM 73 C PRO A 6 6.394 4.161 -11.345 1.00 53.33 C ATOM 74 O PRO A 6 7.227 3.468 -11.931 1.00 22.50 O ATOM 75 CB PRO A 6 4.945 5.943 -12.433 1.00 61.43 C ATOM 76 CG PRO A 6 3.903 6.569 -11.557 1.00 1.42 C ATOM 77 CD PRO A 6 2.979 5.454 -11.148 1.00 10.25 C ATOM 0 HA PRO A 6 4.964 3.756 -12.816 1.00 31.41 H new ATOM 0 HB2 PRO A 6 5.907 6.443 -12.316 1.00 61.43 H new ATOM 0 HB3 PRO A 6 4.671 6.022 -13.485 1.00 61.43 H new ATOM 0 HG2 PRO A 6 4.358 7.038 -10.685 1.00 1.42 H new ATOM 0 HG3 PRO A 6 3.361 7.348 -12.092 1.00 1.42 H new ATOM 0 HD2 PRO A 6 2.492 5.659 -10.194 1.00 10.25 H new ATOM 0 HD3 PRO A 6 2.189 5.291 -11.881 1.00 10.25 H new ATOM 85 N PHE A 7 6.613 4.664 -10.133 1.00 64.21 N ATOM 86 CA PHE A 7 7.886 4.451 -9.436 1.00 44.31 C ATOM 87 C PHE A 7 8.083 2.980 -9.030 1.00 63.42 C ATOM 88 O PHE A 7 9.185 2.444 -9.138 1.00 14.42 O ATOM 89 CB PHE A 7 7.983 5.349 -8.198 1.00 2.51 C ATOM 90 CG PHE A 7 9.284 5.188 -7.452 1.00 73.35 C ATOM 91 CD1 PHE A 7 10.450 5.756 -7.942 1.00 52.35 C ATOM 92 CD2 PHE A 7 9.344 4.457 -6.273 1.00 44.55 C ATOM 93 CE1 PHE A 7 11.646 5.603 -7.272 1.00 52.33 C ATOM 94 CE2 PHE A 7 10.539 4.298 -5.602 1.00 4.42 C ATOM 95 CZ PHE A 7 11.691 4.874 -6.102 1.00 24.00 C ATOM 0 H PHE A 7 5.933 5.219 -9.613 1.00 64.21 H new ATOM 0 HA PHE A 7 8.679 4.715 -10.136 1.00 44.31 H new ATOM 0 HB2 PHE A 7 7.871 6.390 -8.502 1.00 2.51 H new ATOM 0 HB3 PHE A 7 7.155 5.122 -7.526 1.00 2.51 H new ATOM 0 HD1 PHE A 7 10.422 6.325 -8.859 1.00 52.35 H new ATOM 0 HD2 PHE A 7 8.445 4.008 -5.877 1.00 44.55 H new ATOM 0 HE1 PHE A 7 12.546 6.054 -7.663 1.00 52.33 H new ATOM 0 HE2 PHE A 7 10.574 3.724 -4.688 1.00 4.42 H new ATOM 0 HZ PHE A 7 12.627 4.753 -5.577 1.00 24.00 H new ATOM 105 N THR A 8 7.017 2.329 -8.568 1.00 73.13 N ATOM 106 CA THR A 8 7.111 0.938 -8.104 1.00 3.33 C ATOM 107 C THR A 8 7.448 -0.017 -9.259 1.00 71.11 C ATOM 108 O THR A 8 8.423 -0.763 -9.191 1.00 4.33 O ATOM 109 CB THR A 8 5.805 0.463 -7.425 1.00 21.43 C ATOM 110 OG1 THR A 8 5.427 1.374 -6.382 1.00 62.32 O ATOM 111 CG2 THR A 8 5.969 -0.935 -6.835 1.00 24.25 C ATOM 0 H THR A 8 6.083 2.735 -8.503 1.00 73.13 H new ATOM 0 HA THR A 8 7.916 0.917 -7.369 1.00 3.33 H new ATOM 0 HB THR A 8 5.026 0.434 -8.187 1.00 21.43 H new ATOM 0 HG1 THR A 8 4.530 1.147 -6.058 1.00 62.32 H new ATOM 0 HG21 THR A 8 5.035 -1.243 -6.364 1.00 24.25 H new ATOM 0 HG22 THR A 8 6.224 -1.637 -7.629 1.00 24.25 H new ATOM 0 HG23 THR A 8 6.765 -0.925 -6.090 1.00 24.25 H new ATOM 119 N ARG A 9 6.639 0.009 -10.318 1.00 40.34 N ATOM 120 CA ARG A 9 6.911 -0.803 -11.520 1.00 51.15 C ATOM 121 C ARG A 9 8.304 -0.497 -12.106 1.00 62.01 C ATOM 122 O ARG A 9 8.957 -1.374 -12.673 1.00 50.32 O ATOM 123 CB ARG A 9 5.798 -0.608 -12.571 1.00 62.11 C ATOM 124 CG ARG A 9 5.324 0.839 -12.730 1.00 55.40 C ATOM 125 CD ARG A 9 3.976 0.935 -13.447 1.00 61.42 C ATOM 126 NE ARG A 9 4.103 1.116 -14.893 1.00 50.32 N ATOM 127 CZ ARG A 9 3.555 0.339 -15.789 1.00 50.54 C ATOM 128 NH1 ARG A 9 2.968 -0.764 -15.443 1.00 30.34 N ATOM 129 NH2 ARG A 9 3.602 0.666 -17.037 1.00 74.14 N ATOM 0 H ARG A 9 5.794 0.577 -10.375 1.00 40.34 H new ATOM 0 HA ARG A 9 6.914 -1.852 -11.224 1.00 51.15 H new ATOM 0 HB2 ARG A 9 6.158 -0.967 -13.535 1.00 62.11 H new ATOM 0 HB3 ARG A 9 4.945 -1.229 -12.298 1.00 62.11 H new ATOM 0 HG2 ARG A 9 5.243 1.302 -11.747 1.00 55.40 H new ATOM 0 HG3 ARG A 9 6.071 1.404 -13.288 1.00 55.40 H new ATOM 0 HD2 ARG A 9 3.402 0.030 -13.250 1.00 61.42 H new ATOM 0 HD3 ARG A 9 3.410 1.768 -13.032 1.00 61.42 H new ATOM 0 HE ARG A 9 4.659 1.904 -15.225 1.00 50.32 H new ATOM 0 HH11 ARG A 9 2.930 -1.035 -14.460 1.00 30.34 H new ATOM 0 HH12 ARG A 9 2.544 -1.361 -16.153 1.00 30.34 H new ATOM 0 HH21 ARG A 9 4.066 1.529 -17.321 1.00 74.14 H new ATOM 0 HH22 ARG A 9 3.175 0.062 -17.739 1.00 74.14 H new ATOM 143 N TYR A 10 8.755 0.747 -11.951 1.00 30.24 N ATOM 144 CA TYR A 10 10.133 1.122 -12.296 1.00 50.32 C ATOM 145 C TYR A 10 11.148 0.425 -11.367 1.00 32.35 C ATOM 146 O TYR A 10 12.161 -0.117 -11.819 1.00 42.54 O ATOM 147 CB TYR A 10 10.291 2.651 -12.218 1.00 13.24 C ATOM 148 CG TYR A 10 11.732 3.137 -12.278 1.00 74.53 C ATOM 149 CD1 TYR A 10 12.446 3.131 -13.473 1.00 33.54 C ATOM 150 CD2 TYR A 10 12.376 3.600 -11.133 1.00 43.32 C ATOM 151 CE1 TYR A 10 13.756 3.569 -13.522 1.00 14.34 C ATOM 152 CE2 TYR A 10 13.683 4.041 -11.178 1.00 3.34 C ATOM 153 CZ TYR A 10 14.369 4.022 -12.374 1.00 41.42 C ATOM 154 OH TYR A 10 15.672 4.458 -12.421 1.00 3.53 O ATOM 0 H TYR A 10 8.189 1.515 -11.589 1.00 30.24 H new ATOM 0 HA TYR A 10 10.336 0.793 -13.315 1.00 50.32 H new ATOM 0 HB2 TYR A 10 9.733 3.104 -13.037 1.00 13.24 H new ATOM 0 HB3 TYR A 10 9.839 3.004 -11.291 1.00 13.24 H new ATOM 0 HD1 TYR A 10 11.969 2.779 -14.376 1.00 33.54 H new ATOM 0 HD2 TYR A 10 11.843 3.614 -10.194 1.00 43.32 H new ATOM 0 HE1 TYR A 10 14.297 3.556 -14.457 1.00 14.34 H new ATOM 0 HE2 TYR A 10 14.166 4.399 -10.281 1.00 3.34 H new ATOM 0 HH TYR A 10 15.953 4.745 -11.527 1.00 3.53 H new ATOM 164 N ALA A 11 10.859 0.435 -10.067 1.00 30.33 N ATOM 165 CA ALA A 11 11.730 -0.192 -9.068 1.00 65.53 C ATOM 166 C ALA A 11 11.879 -1.702 -9.318 1.00 64.41 C ATOM 167 O ALA A 11 12.989 -2.241 -9.278 1.00 30.22 O ATOM 168 CB ALA A 11 11.191 0.065 -7.664 1.00 4.14 C ATOM 0 H ALA A 11 10.024 0.872 -9.677 1.00 30.33 H new ATOM 0 HA ALA A 11 12.719 0.257 -9.157 1.00 65.53 H new ATOM 0 HB1 ALA A 11 11.846 -0.406 -6.931 1.00 4.14 H new ATOM 0 HB2 ALA A 11 11.152 1.139 -7.480 1.00 4.14 H new ATOM 0 HB3 ALA A 11 10.189 -0.354 -7.577 1.00 4.14 H new ATOM 174 N LEU A 12 10.756 -2.379 -9.578 1.00 54.31 N ATOM 175 CA LEU A 12 10.768 -3.814 -9.894 1.00 35.52 C ATOM 176 C LEU A 12 11.540 -4.095 -11.192 1.00 64.11 C ATOM 177 O LEU A 12 12.205 -5.127 -11.318 1.00 41.23 O ATOM 178 CB LEU A 12 9.337 -4.375 -9.999 1.00 24.30 C ATOM 179 CG LEU A 12 8.646 -4.708 -8.660 1.00 22.34 C ATOM 180 CD1 LEU A 12 9.452 -5.743 -7.876 1.00 64.43 C ATOM 181 CD2 LEU A 12 8.424 -3.450 -7.824 1.00 52.23 C ATOM 0 H LEU A 12 9.827 -1.958 -9.576 1.00 54.31 H new ATOM 0 HA LEU A 12 11.278 -4.319 -9.074 1.00 35.52 H new ATOM 0 HB2 LEU A 12 8.722 -3.651 -10.534 1.00 24.30 H new ATOM 0 HB3 LEU A 12 9.365 -5.280 -10.606 1.00 24.30 H new ATOM 0 HG LEU A 12 7.669 -5.135 -8.887 1.00 22.34 H new ATOM 0 HD11 LEU A 12 8.946 -5.962 -6.936 1.00 64.43 H new ATOM 0 HD12 LEU A 12 9.539 -6.657 -8.463 1.00 64.43 H new ATOM 0 HD13 LEU A 12 10.447 -5.349 -7.669 1.00 64.43 H new ATOM 0 HD21 LEU A 12 7.936 -3.717 -6.887 1.00 52.23 H new ATOM 0 HD22 LEU A 12 9.384 -2.980 -7.611 1.00 52.23 H new ATOM 0 HD23 LEU A 12 7.793 -2.753 -8.376 1.00 52.23 H new ATOM 193 N ALA A 13 11.447 -3.182 -12.158 1.00 31.21 N ATOM 194 CA ALA A 13 12.236 -3.287 -13.390 1.00 22.01 C ATOM 195 C ALA A 13 13.733 -3.402 -13.072 1.00 54.31 C ATOM 196 O ALA A 13 14.422 -4.297 -13.570 1.00 62.15 O ATOM 197 CB ALA A 13 11.970 -2.092 -14.301 1.00 53.34 C ATOM 0 H ALA A 13 10.838 -2.365 -12.115 1.00 31.21 H new ATOM 0 HA ALA A 13 11.930 -4.193 -13.913 1.00 22.01 H new ATOM 0 HB1 ALA A 13 12.564 -2.188 -15.210 1.00 53.34 H new ATOM 0 HB2 ALA A 13 10.912 -2.061 -14.561 1.00 53.34 H new ATOM 0 HB3 ALA A 13 12.244 -1.172 -13.784 1.00 53.34 H new ATOM 203 N GLN A 14 14.223 -2.503 -12.219 1.00 54.31 N ATOM 204 CA GLN A 14 15.617 -2.546 -11.763 1.00 41.21 C ATOM 205 C GLN A 14 15.901 -3.834 -10.970 1.00 30.44 C ATOM 206 O GLN A 14 16.989 -4.404 -11.063 1.00 4.15 O ATOM 207 CB GLN A 14 15.939 -1.316 -10.902 1.00 24.30 C ATOM 208 CG GLN A 14 15.648 0.012 -11.594 1.00 1.52 C ATOM 209 CD GLN A 14 16.066 1.214 -10.761 1.00 23.43 C ATOM 210 OE1 GLN A 14 15.304 1.716 -9.943 1.00 63.12 O ATOM 211 NE2 GLN A 14 17.278 1.691 -10.970 1.00 20.33 N ATOM 0 H GLN A 14 13.677 -1.735 -11.828 1.00 54.31 H new ATOM 0 HA GLN A 14 16.258 -2.538 -12.645 1.00 41.21 H new ATOM 0 HB2 GLN A 14 15.361 -1.369 -9.979 1.00 24.30 H new ATOM 0 HB3 GLN A 14 16.992 -1.346 -10.621 1.00 24.30 H new ATOM 0 HG2 GLN A 14 16.169 0.040 -12.551 1.00 1.52 H new ATOM 0 HG3 GLN A 14 14.582 0.078 -11.810 1.00 1.52 H new ATOM 0 HE21 GLN A 14 17.888 1.250 -11.658 1.00 20.33 H new ATOM 0 HE22 GLN A 14 17.605 2.501 -10.443 1.00 20.33 H new ATOM 220 N GLU A 15 14.913 -4.291 -10.193 1.00 72.05 N ATOM 221 CA GLU A 15 15.020 -5.567 -9.466 1.00 4.15 C ATOM 222 C GLU A 15 15.314 -6.731 -10.424 1.00 21.50 C ATOM 223 O GLU A 15 16.165 -7.579 -10.148 1.00 41.35 O ATOM 224 CB GLU A 15 13.728 -5.864 -8.684 1.00 1.00 C ATOM 225 CG GLU A 15 13.508 -4.975 -7.464 1.00 72.40 C ATOM 226 CD GLU A 15 14.541 -5.207 -6.371 1.00 51.23 C ATOM 227 OE1 GLU A 15 14.723 -6.373 -5.959 1.00 32.01 O ATOM 228 OE2 GLU A 15 15.163 -4.228 -5.907 1.00 34.54 O ATOM 0 H GLU A 15 14.031 -3.800 -10.050 1.00 72.05 H new ATOM 0 HA GLU A 15 15.849 -5.470 -8.765 1.00 4.15 H new ATOM 0 HB2 GLU A 15 12.878 -5.753 -9.357 1.00 1.00 H new ATOM 0 HB3 GLU A 15 13.745 -6.905 -8.361 1.00 1.00 H new ATOM 0 HG2 GLU A 15 13.540 -3.930 -7.771 1.00 72.40 H new ATOM 0 HG3 GLU A 15 12.512 -5.159 -7.061 1.00 72.40 H new ATOM 235 N HIS A 16 14.608 -6.768 -11.552 1.00 40.50 N ATOM 236 CA HIS A 16 14.839 -7.804 -12.558 1.00 3.13 C ATOM 237 C HIS A 16 16.267 -7.725 -13.124 1.00 11.32 C ATOM 238 O HIS A 16 16.904 -8.753 -13.331 1.00 32.04 O ATOM 239 CB HIS A 16 13.793 -7.725 -13.677 1.00 42.52 C ATOM 240 CG HIS A 16 12.432 -8.191 -13.244 1.00 15.43 C ATOM 241 ND1 HIS A 16 12.067 -9.523 -13.199 1.00 21.52 N ATOM 242 CD2 HIS A 16 11.352 -7.499 -12.815 1.00 41.20 C ATOM 243 CE1 HIS A 16 10.829 -9.622 -12.758 1.00 43.33 C ATOM 244 NE2 HIS A 16 10.374 -8.413 -12.518 1.00 52.00 N ATOM 0 H HIS A 16 13.877 -6.099 -11.792 1.00 40.50 H new ATOM 0 HA HIS A 16 14.733 -8.772 -12.069 1.00 3.13 H new ATOM 0 HB2 HIS A 16 13.723 -6.696 -14.029 1.00 42.52 H new ATOM 0 HB3 HIS A 16 14.126 -8.329 -14.521 1.00 42.52 H new ATOM 0 HD2 HIS A 16 11.274 -6.426 -12.723 1.00 41.20 H new ATOM 0 HE1 HIS A 16 10.281 -10.542 -12.618 1.00 43.33 H new ATOM 0 HE2 HIS A 16 9.443 -8.190 -12.167 1.00 52.00 H new ATOM 253 N LEU A 17 16.775 -6.510 -13.347 1.00 52.34 N ATOM 254 CA LEU A 17 18.183 -6.326 -13.740 1.00 5.54 C ATOM 255 C LEU A 17 19.129 -6.952 -12.702 1.00 73.32 C ATOM 256 O LEU A 17 20.086 -7.649 -13.049 1.00 11.11 O ATOM 257 CB LEU A 17 18.517 -4.833 -13.905 1.00 3.31 C ATOM 258 CG LEU A 17 17.849 -4.129 -15.096 1.00 4.42 C ATOM 259 CD1 LEU A 17 18.165 -2.635 -15.090 1.00 34.43 C ATOM 260 CD2 LEU A 17 18.292 -4.769 -16.413 1.00 42.23 C ATOM 0 H LEU A 17 16.242 -5.644 -13.264 1.00 52.34 H new ATOM 0 HA LEU A 17 18.324 -6.828 -14.697 1.00 5.54 H new ATOM 0 HB2 LEU A 17 18.230 -4.312 -12.991 1.00 3.31 H new ATOM 0 HB3 LEU A 17 19.598 -4.730 -14.005 1.00 3.31 H new ATOM 0 HG LEU A 17 16.770 -4.247 -15.001 1.00 4.42 H new ATOM 0 HD11 LEU A 17 17.682 -2.157 -15.942 1.00 34.43 H new ATOM 0 HD12 LEU A 17 17.796 -2.189 -14.167 1.00 34.43 H new ATOM 0 HD13 LEU A 17 19.243 -2.491 -15.157 1.00 34.43 H new ATOM 0 HD21 LEU A 17 17.809 -4.258 -17.246 1.00 42.23 H new ATOM 0 HD22 LEU A 17 19.374 -4.684 -16.513 1.00 42.23 H new ATOM 0 HD23 LEU A 17 18.009 -5.821 -16.420 1.00 42.23 H new ATOM 272 N LYS A 18 18.846 -6.696 -11.425 1.00 54.13 N ATOM 273 CA LYS A 18 19.609 -7.287 -10.316 1.00 54.23 C ATOM 274 C LYS A 18 19.541 -8.825 -10.348 1.00 11.33 C ATOM 275 O LYS A 18 20.514 -9.512 -10.039 1.00 63.33 O ATOM 276 CB LYS A 18 19.058 -6.776 -8.977 1.00 24.14 C ATOM 277 CG LYS A 18 19.113 -5.259 -8.816 1.00 73.32 C ATOM 278 CD LYS A 18 18.351 -4.802 -7.573 1.00 13.34 C ATOM 279 CE LYS A 18 18.351 -3.286 -7.426 1.00 72.14 C ATOM 280 NZ LYS A 18 17.513 -2.841 -6.281 1.00 23.24 N ATOM 0 H LYS A 18 18.090 -6.080 -11.127 1.00 54.13 H new ATOM 0 HA LYS A 18 20.652 -6.988 -10.426 1.00 54.23 H new ATOM 0 HB2 LYS A 18 18.024 -7.104 -8.874 1.00 24.14 H new ATOM 0 HB3 LYS A 18 19.621 -7.237 -8.165 1.00 24.14 H new ATOM 0 HG2 LYS A 18 20.152 -4.936 -8.747 1.00 73.32 H new ATOM 0 HG3 LYS A 18 18.689 -4.782 -9.700 1.00 73.32 H new ATOM 0 HD2 LYS A 18 17.323 -5.161 -7.626 1.00 13.34 H new ATOM 0 HD3 LYS A 18 18.800 -5.252 -6.687 1.00 13.34 H new ATOM 0 HE2 LYS A 18 19.373 -2.935 -7.286 1.00 72.14 H new ATOM 0 HE3 LYS A 18 17.981 -2.832 -8.345 1.00 72.14 H new ATOM 0 HZ1 LYS A 18 17.316 -1.824 -6.370 1.00 23.24 H new ATOM 0 HZ2 LYS A 18 16.617 -3.369 -6.281 1.00 23.24 H new ATOM 0 HZ3 LYS A 18 18.020 -3.019 -5.390 1.00 23.24 H new ATOM 294 N HIS A 19 18.381 -9.356 -10.736 1.00 12.24 N ATOM 295 CA HIS A 19 18.168 -10.808 -10.796 1.00 63.40 C ATOM 296 C HIS A 19 18.397 -11.373 -12.214 1.00 30.32 C ATOM 297 O HIS A 19 17.777 -12.366 -12.598 1.00 31.23 O ATOM 298 CB HIS A 19 16.751 -11.147 -10.307 1.00 34.22 C ATOM 299 CG HIS A 19 16.545 -10.882 -8.843 1.00 34.52 C ATOM 300 ND1 HIS A 19 16.934 -11.766 -7.857 1.00 60.22 N ATOM 301 CD2 HIS A 19 15.992 -9.827 -8.192 1.00 44.20 C ATOM 302 CE1 HIS A 19 16.634 -11.269 -6.675 1.00 44.32 C ATOM 303 NE2 HIS A 19 16.064 -10.097 -6.849 1.00 25.21 N ATOM 0 H HIS A 19 17.571 -8.803 -11.015 1.00 12.24 H new ATOM 0 HA HIS A 19 18.903 -11.278 -10.142 1.00 63.40 H new ATOM 0 HB2 HIS A 19 16.028 -10.565 -10.879 1.00 34.22 H new ATOM 0 HB3 HIS A 19 16.546 -12.198 -10.511 1.00 34.22 H new ATOM 0 HD2 HIS A 19 15.574 -8.941 -8.646 1.00 44.20 H new ATOM 0 HE1 HIS A 19 16.824 -11.744 -5.724 1.00 44.32 H new ATOM 0 HE2 HIS A 19 15.729 -9.486 -6.104 1.00 25.21 H new ATOM 312 N ASP A 20 19.290 -10.733 -12.981 1.00 43.54 N ATOM 313 CA ASP A 20 19.732 -11.243 -14.298 1.00 65.21 C ATOM 314 C ASP A 20 18.604 -11.267 -15.354 1.00 13.43 C ATOM 315 O ASP A 20 18.800 -11.741 -16.477 1.00 71.54 O ATOM 316 CB ASP A 20 20.338 -12.646 -14.145 1.00 30.35 C ATOM 317 CG ASP A 20 21.504 -12.667 -13.173 1.00 11.43 C ATOM 318 OD1 ASP A 20 22.623 -12.291 -13.574 1.00 20.21 O ATOM 319 OD2 ASP A 20 21.308 -13.057 -12.000 1.00 3.41 O ATOM 0 H ASP A 20 19.728 -9.851 -12.713 1.00 43.54 H new ATOM 0 HA ASP A 20 20.487 -10.547 -14.663 1.00 65.21 H new ATOM 0 HB2 ASP A 20 19.568 -13.336 -13.800 1.00 30.35 H new ATOM 0 HB3 ASP A 20 20.673 -13.003 -15.119 1.00 30.35 H new ATOM 324 N ASN A 21 17.434 -10.750 -14.999 1.00 14.22 N ATOM 325 CA ASN A 21 16.294 -10.694 -15.917 1.00 53.31 C ATOM 326 C ASN A 21 16.341 -9.422 -16.783 1.00 70.12 C ATOM 327 O ASN A 21 15.496 -8.532 -16.647 1.00 72.24 O ATOM 328 CB ASN A 21 14.985 -10.743 -15.121 1.00 4.42 C ATOM 329 CG ASN A 21 14.819 -12.026 -14.335 1.00 52.35 C ATOM 330 OD1 ASN A 21 14.345 -12.018 -13.204 1.00 42.52 O ATOM 331 ND2 ASN A 21 15.168 -13.139 -14.940 1.00 41.13 N ATOM 0 H ASN A 21 17.245 -10.360 -14.076 1.00 14.22 H new ATOM 0 HA ASN A 21 16.345 -11.556 -16.582 1.00 53.31 H new ATOM 0 HB2 ASN A 21 14.951 -9.896 -14.435 1.00 4.42 H new ATOM 0 HB3 ASN A 21 14.145 -10.632 -15.806 1.00 4.42 H new ATOM 0 HD21 ASN A 21 15.048 -14.035 -14.468 1.00 41.13 H new ATOM 0 HD22 ASN A 21 15.559 -13.107 -15.881 1.00 41.13 H new ATOM 338 N ALA A 22 17.331 -9.348 -17.670 1.00 15.23 N ATOM 339 CA ALA A 22 17.532 -8.169 -18.525 1.00 35.33 C ATOM 340 C ALA A 22 16.350 -7.953 -19.484 1.00 45.22 C ATOM 341 O ALA A 22 15.834 -6.843 -19.606 1.00 73.24 O ATOM 342 CB ALA A 22 18.838 -8.303 -19.305 1.00 40.00 C ATOM 0 H ALA A 22 18.012 -10.092 -17.819 1.00 15.23 H new ATOM 0 HA ALA A 22 17.591 -7.293 -17.879 1.00 35.33 H new ATOM 0 HB1 ALA A 22 18.977 -7.425 -19.935 1.00 40.00 H new ATOM 0 HB2 ALA A 22 19.672 -8.385 -18.608 1.00 40.00 H new ATOM 0 HB3 ALA A 22 18.799 -9.195 -19.930 1.00 40.00 H new ATOM 348 N SER A 23 15.924 -9.026 -20.153 1.00 41.31 N ATOM 349 CA SER A 23 14.791 -8.963 -21.093 1.00 63.20 C ATOM 350 C SER A 23 13.487 -8.572 -20.380 1.00 13.14 C ATOM 351 O SER A 23 12.714 -7.750 -20.876 1.00 55.21 O ATOM 352 CB SER A 23 14.608 -10.309 -21.809 1.00 11.24 C ATOM 353 OG SER A 23 13.518 -10.265 -22.715 1.00 32.34 O ATOM 0 H SER A 23 16.343 -9.952 -20.065 1.00 41.31 H new ATOM 0 HA SER A 23 15.021 -8.193 -21.829 1.00 63.20 H new ATOM 0 HB2 SER A 23 15.521 -10.565 -22.347 1.00 11.24 H new ATOM 0 HB3 SER A 23 14.441 -11.095 -21.073 1.00 11.24 H new ATOM 0 HG SER A 23 13.425 -11.134 -23.158 1.00 32.34 H new ATOM 359 N ARG A 24 13.252 -9.165 -19.209 1.00 62.34 N ATOM 360 CA ARG A 24 12.082 -8.836 -18.384 1.00 55.11 C ATOM 361 C ARG A 24 12.083 -7.352 -17.984 1.00 73.24 C ATOM 362 O ARG A 24 11.072 -6.660 -18.113 1.00 63.41 O ATOM 363 CB ARG A 24 12.068 -9.718 -17.127 1.00 74.10 C ATOM 364 CG ARG A 24 11.848 -11.205 -17.403 1.00 21.24 C ATOM 365 CD ARG A 24 10.450 -11.481 -17.950 1.00 60.14 C ATOM 366 NE ARG A 24 10.176 -12.912 -18.065 1.00 31.22 N ATOM 367 CZ ARG A 24 8.990 -13.419 -18.267 1.00 13.31 C ATOM 368 NH1 ARG A 24 7.953 -12.654 -18.399 1.00 3.14 N ATOM 369 NH2 ARG A 24 8.838 -14.700 -18.336 1.00 31.00 N ATOM 0 H ARG A 24 13.858 -9.880 -18.806 1.00 62.34 H new ATOM 0 HA ARG A 24 11.185 -9.026 -18.973 1.00 55.11 H new ATOM 0 HB2 ARG A 24 13.014 -9.595 -16.601 1.00 74.10 H new ATOM 0 HB3 ARG A 24 11.283 -9.365 -16.458 1.00 74.10 H new ATOM 0 HG2 ARG A 24 12.593 -11.556 -18.117 1.00 21.24 H new ATOM 0 HG3 ARG A 24 11.996 -11.771 -16.483 1.00 21.24 H new ATOM 0 HD2 ARG A 24 9.708 -11.022 -17.296 1.00 60.14 H new ATOM 0 HD3 ARG A 24 10.345 -11.013 -18.929 1.00 60.14 H new ATOM 0 HE ARG A 24 10.962 -13.556 -17.982 1.00 31.22 H new ATOM 0 HH11 ARG A 24 8.057 -11.641 -18.346 1.00 3.14 H new ATOM 0 HH12 ARG A 24 7.033 -13.065 -18.556 1.00 3.14 H new ATOM 0 HH21 ARG A 24 9.645 -15.316 -18.233 1.00 31.00 H new ATOM 0 HH22 ARG A 24 7.911 -15.096 -18.494 1.00 31.00 H new ATOM 383 N ALA A 25 13.229 -6.872 -17.502 1.00 62.14 N ATOM 384 CA ALA A 25 13.383 -5.463 -17.132 1.00 44.45 C ATOM 385 C ALA A 25 13.142 -4.540 -18.335 1.00 70.40 C ATOM 386 O ALA A 25 12.398 -3.566 -18.241 1.00 5.12 O ATOM 387 CB ALA A 25 14.768 -5.225 -16.553 1.00 42.30 C ATOM 0 H ALA A 25 14.066 -7.438 -17.358 1.00 62.14 H new ATOM 0 HA ALA A 25 12.634 -5.228 -16.376 1.00 44.45 H new ATOM 0 HB1 ALA A 25 14.873 -4.175 -16.281 1.00 42.30 H new ATOM 0 HB2 ALA A 25 14.903 -5.845 -15.667 1.00 42.30 H new ATOM 0 HB3 ALA A 25 15.522 -5.485 -17.296 1.00 42.30 H new ATOM 393 N LEU A 26 13.776 -4.863 -19.464 1.00 11.43 N ATOM 394 CA LEU A 26 13.600 -4.104 -20.709 1.00 70.41 C ATOM 395 C LEU A 26 12.112 -3.972 -21.076 1.00 30.43 C ATOM 396 O LEU A 26 11.623 -2.873 -21.345 1.00 73.52 O ATOM 397 CB LEU A 26 14.372 -4.790 -21.849 1.00 45.32 C ATOM 398 CG LEU A 26 14.333 -4.074 -23.209 1.00 42.43 C ATOM 399 CD1 LEU A 26 14.895 -2.662 -23.091 1.00 34.41 C ATOM 400 CD2 LEU A 26 15.103 -4.872 -24.259 1.00 62.33 C ATOM 0 H LEU A 26 14.420 -5.650 -19.544 1.00 11.43 H new ATOM 0 HA LEU A 26 13.996 -3.100 -20.558 1.00 70.41 H new ATOM 0 HB2 LEU A 26 15.413 -4.896 -21.545 1.00 45.32 H new ATOM 0 HB3 LEU A 26 13.974 -5.796 -21.978 1.00 45.32 H new ATOM 0 HG LEU A 26 13.293 -4.002 -23.527 1.00 42.43 H new ATOM 0 HD11 LEU A 26 14.858 -2.173 -24.065 1.00 34.41 H new ATOM 0 HD12 LEU A 26 14.301 -2.092 -22.376 1.00 34.41 H new ATOM 0 HD13 LEU A 26 15.928 -2.709 -22.748 1.00 34.41 H new ATOM 0 HD21 LEU A 26 15.064 -4.349 -25.215 1.00 62.33 H new ATOM 0 HD22 LEU A 26 16.142 -4.978 -23.946 1.00 62.33 H new ATOM 0 HD23 LEU A 26 14.654 -5.859 -24.367 1.00 62.33 H new ATOM 412 N ALA A 27 11.399 -5.097 -21.067 1.00 13.11 N ATOM 413 CA ALA A 27 9.957 -5.100 -21.332 1.00 4.24 C ATOM 414 C ALA A 27 9.200 -4.187 -20.353 1.00 51.42 C ATOM 415 O ALA A 27 8.267 -3.481 -20.743 1.00 62.33 O ATOM 416 CB ALA A 27 9.412 -6.522 -21.260 1.00 33.52 C ATOM 0 H ALA A 27 11.794 -6.019 -20.879 1.00 13.11 H new ATOM 0 HA ALA A 27 9.801 -4.708 -22.337 1.00 4.24 H new ATOM 0 HB1 ALA A 27 8.340 -6.511 -21.458 1.00 33.52 H new ATOM 0 HB2 ALA A 27 9.913 -7.142 -22.004 1.00 33.52 H new ATOM 0 HB3 ALA A 27 9.593 -6.931 -20.266 1.00 33.52 H new ATOM 422 N LEU A 28 9.602 -4.208 -19.081 1.00 51.20 N ATOM 423 CA LEU A 28 9.001 -3.335 -18.065 1.00 34.02 C ATOM 424 C LEU A 28 9.249 -1.850 -18.374 1.00 23.40 C ATOM 425 O LEU A 28 8.329 -1.041 -18.300 1.00 65.35 O ATOM 426 CB LEU A 28 9.525 -3.677 -16.660 1.00 30.32 C ATOM 427 CG LEU A 28 8.973 -4.979 -16.053 1.00 43.40 C ATOM 428 CD1 LEU A 28 9.586 -5.236 -14.680 1.00 41.30 C ATOM 429 CD2 LEU A 28 7.448 -4.925 -15.960 1.00 52.44 C ATOM 0 H LEU A 28 10.340 -4.818 -18.728 1.00 51.20 H new ATOM 0 HA LEU A 28 7.926 -3.511 -18.089 1.00 34.02 H new ATOM 0 HB2 LEU A 28 10.612 -3.747 -16.702 1.00 30.32 H new ATOM 0 HB3 LEU A 28 9.285 -2.852 -15.989 1.00 30.32 H new ATOM 0 HG LEU A 28 9.248 -5.805 -16.709 1.00 43.40 H new ATOM 0 HD11 LEU A 28 9.182 -6.161 -14.269 1.00 41.30 H new ATOM 0 HD12 LEU A 28 10.668 -5.323 -14.775 1.00 41.30 H new ATOM 0 HD13 LEU A 28 9.346 -4.408 -14.014 1.00 41.30 H new ATOM 0 HD21 LEU A 28 7.077 -5.854 -15.528 1.00 52.44 H new ATOM 0 HD22 LEU A 28 7.151 -4.088 -15.328 1.00 52.44 H new ATOM 0 HD23 LEU A 28 7.027 -4.794 -16.957 1.00 52.44 H new ATOM 441 N PHE A 29 10.484 -1.494 -18.726 1.00 62.14 N ATOM 442 CA PHE A 29 10.812 -0.104 -19.078 1.00 0.24 C ATOM 443 C PHE A 29 9.981 0.385 -20.281 1.00 22.34 C ATOM 444 O PHE A 29 9.444 1.495 -20.267 1.00 52.43 O ATOM 445 CB PHE A 29 12.310 0.047 -19.375 1.00 70.41 C ATOM 446 CG PHE A 29 13.194 -0.050 -18.154 1.00 1.35 C ATOM 447 CD1 PHE A 29 13.149 0.929 -17.170 1.00 2.02 C ATOM 448 CD2 PHE A 29 14.068 -1.117 -17.987 1.00 51.11 C ATOM 449 CE1 PHE A 29 13.954 0.845 -16.050 1.00 40.13 C ATOM 450 CE2 PHE A 29 14.874 -1.205 -16.866 1.00 43.14 C ATOM 451 CZ PHE A 29 14.816 -0.223 -15.897 1.00 40.33 C ATOM 0 H PHE A 29 11.272 -2.140 -18.776 1.00 62.14 H new ATOM 0 HA PHE A 29 10.561 0.516 -18.217 1.00 0.24 H new ATOM 0 HB2 PHE A 29 12.607 -0.722 -20.088 1.00 70.41 H new ATOM 0 HB3 PHE A 29 12.479 1.010 -19.857 1.00 70.41 H new ATOM 0 HD1 PHE A 29 12.476 1.767 -17.282 1.00 2.02 H new ATOM 0 HD2 PHE A 29 14.119 -1.888 -18.742 1.00 51.11 H new ATOM 0 HE1 PHE A 29 13.909 1.615 -15.294 1.00 40.13 H new ATOM 0 HE2 PHE A 29 15.548 -2.041 -16.749 1.00 43.14 H new ATOM 0 HZ PHE A 29 15.444 -0.290 -15.021 1.00 40.33 H new ATOM 461 N GLU A 30 9.873 -0.448 -21.316 1.00 43.11 N ATOM 462 CA GLU A 30 9.027 -0.132 -22.477 1.00 75.23 C ATOM 463 C GLU A 30 7.546 -0.023 -22.057 1.00 4.45 C ATOM 464 O GLU A 30 6.786 0.782 -22.599 1.00 71.32 O ATOM 465 CB GLU A 30 9.210 -1.197 -23.574 1.00 40.43 C ATOM 466 CG GLU A 30 10.641 -1.277 -24.111 1.00 33.32 C ATOM 467 CD GLU A 30 10.795 -2.236 -25.286 1.00 23.15 C ATOM 468 OE1 GLU A 30 10.412 -1.863 -26.416 1.00 51.01 O ATOM 469 OE2 GLU A 30 11.324 -3.354 -25.096 1.00 44.41 O ATOM 0 H GLU A 30 10.357 -1.344 -21.379 1.00 43.11 H new ATOM 0 HA GLU A 30 9.334 0.833 -22.880 1.00 75.23 H new ATOM 0 HB2 GLU A 30 8.924 -2.171 -23.176 1.00 40.43 H new ATOM 0 HB3 GLU A 30 8.532 -0.978 -24.399 1.00 40.43 H new ATOM 0 HG2 GLU A 30 10.961 -0.282 -24.420 1.00 33.32 H new ATOM 0 HG3 GLU A 30 11.306 -1.591 -23.306 1.00 33.32 H new ATOM 476 N GLU A 31 7.159 -0.842 -21.080 1.00 33.22 N ATOM 477 CA GLU A 31 5.830 -0.773 -20.448 1.00 35.12 C ATOM 478 C GLU A 31 5.643 0.558 -19.681 1.00 64.15 C ATOM 479 O GLU A 31 4.549 1.134 -19.664 1.00 54.12 O ATOM 480 CB GLU A 31 5.667 -1.993 -19.513 1.00 25.03 C ATOM 481 CG GLU A 31 4.537 -1.910 -18.482 1.00 63.24 C ATOM 482 CD GLU A 31 3.133 -1.947 -19.069 1.00 32.45 C ATOM 483 OE1 GLU A 31 2.920 -2.614 -20.100 1.00 54.53 O ATOM 484 OE2 GLU A 31 2.227 -1.316 -18.482 1.00 10.33 O ATOM 0 H GLU A 31 7.756 -1.576 -20.699 1.00 33.22 H new ATOM 0 HA GLU A 31 5.057 -0.800 -21.216 1.00 35.12 H new ATOM 0 HB2 GLU A 31 5.504 -2.877 -20.129 1.00 25.03 H new ATOM 0 HB3 GLU A 31 6.606 -2.144 -18.980 1.00 25.03 H new ATOM 0 HG2 GLU A 31 4.644 -2.737 -17.779 1.00 63.24 H new ATOM 0 HG3 GLU A 31 4.653 -0.989 -17.911 1.00 63.24 H new ATOM 491 N LEU A 32 6.720 1.052 -19.064 1.00 10.12 N ATOM 492 CA LEU A 32 6.684 2.333 -18.341 1.00 71.43 C ATOM 493 C LEU A 32 6.450 3.512 -19.297 1.00 14.34 C ATOM 494 O LEU A 32 5.684 4.425 -18.994 1.00 63.02 O ATOM 495 CB LEU A 32 7.998 2.572 -17.576 1.00 42.33 C ATOM 496 CG LEU A 32 8.418 1.475 -16.585 1.00 64.41 C ATOM 497 CD1 LEU A 32 9.709 1.865 -15.872 1.00 42.11 C ATOM 498 CD2 LEU A 32 7.308 1.191 -15.578 1.00 54.41 C ATOM 0 H LEU A 32 7.628 0.587 -19.049 1.00 10.12 H new ATOM 0 HA LEU A 32 5.855 2.273 -17.636 1.00 71.43 H new ATOM 0 HB2 LEU A 32 8.799 2.701 -18.304 1.00 42.33 H new ATOM 0 HB3 LEU A 32 7.910 3.511 -17.030 1.00 42.33 H new ATOM 0 HG LEU A 32 8.599 0.560 -17.149 1.00 64.41 H new ATOM 0 HD11 LEU A 32 9.992 1.077 -15.174 1.00 42.11 H new ATOM 0 HD12 LEU A 32 10.503 2.002 -16.606 1.00 42.11 H new ATOM 0 HD13 LEU A 32 9.556 2.796 -15.326 1.00 42.11 H new ATOM 0 HD21 LEU A 32 7.632 0.411 -14.889 1.00 54.41 H new ATOM 0 HD22 LEU A 32 7.084 2.099 -15.018 1.00 54.41 H new ATOM 0 HD23 LEU A 32 6.414 0.860 -16.106 1.00 54.41 H new ATOM 510 N VAL A 33 7.124 3.482 -20.447 1.00 61.23 N ATOM 511 CA VAL A 33 7.054 4.577 -21.426 1.00 61.41 C ATOM 512 C VAL A 33 5.625 4.801 -21.953 1.00 31.51 C ATOM 513 O VAL A 33 5.158 5.937 -22.037 1.00 74.44 O ATOM 514 CB VAL A 33 8.002 4.323 -22.631 1.00 70.42 C ATOM 515 CG1 VAL A 33 7.910 5.460 -23.653 1.00 22.01 C ATOM 516 CG2 VAL A 33 9.443 4.137 -22.157 1.00 21.22 C ATOM 0 H VAL A 33 7.728 2.710 -20.728 1.00 61.23 H new ATOM 0 HA VAL A 33 7.372 5.474 -20.895 1.00 61.41 H new ATOM 0 HB VAL A 33 7.682 3.404 -23.121 1.00 70.42 H new ATOM 0 HG11 VAL A 33 8.584 5.256 -24.485 1.00 22.01 H new ATOM 0 HG12 VAL A 33 6.888 5.534 -24.023 1.00 22.01 H new ATOM 0 HG13 VAL A 33 8.193 6.400 -23.179 1.00 22.01 H new ATOM 0 HG21 VAL A 33 10.089 3.961 -23.017 1.00 21.22 H new ATOM 0 HG22 VAL A 33 9.773 5.035 -21.634 1.00 21.22 H new ATOM 0 HG23 VAL A 33 9.497 3.283 -21.482 1.00 21.22 H new ATOM 526 N GLU A 34 4.935 3.716 -22.309 1.00 32.03 N ATOM 527 CA GLU A 34 3.584 3.818 -22.884 1.00 54.53 C ATOM 528 C GLU A 34 2.535 4.260 -21.843 1.00 10.20 C ATOM 529 O GLU A 34 1.586 4.978 -22.179 1.00 54.42 O ATOM 530 CB GLU A 34 3.170 2.489 -23.538 1.00 45.14 C ATOM 531 CG GLU A 34 3.239 1.283 -22.609 1.00 62.23 C ATOM 532 CD GLU A 34 2.894 -0.018 -23.317 1.00 42.41 C ATOM 533 OE1 GLU A 34 3.765 -0.564 -24.027 1.00 64.23 O ATOM 534 OE2 GLU A 34 1.749 -0.501 -23.177 1.00 24.53 O ATOM 0 H GLU A 34 5.282 2.762 -22.212 1.00 32.03 H new ATOM 0 HA GLU A 34 3.621 4.592 -23.650 1.00 54.53 H new ATOM 0 HB2 GLU A 34 2.152 2.585 -23.914 1.00 45.14 H new ATOM 0 HB3 GLU A 34 3.812 2.306 -24.399 1.00 45.14 H new ATOM 0 HG2 GLU A 34 4.242 1.209 -22.189 1.00 62.23 H new ATOM 0 HG3 GLU A 34 2.554 1.432 -21.774 1.00 62.23 H new ATOM 541 N THR A 35 2.698 3.836 -20.587 1.00 10.12 N ATOM 542 CA THR A 35 1.775 4.248 -19.513 1.00 41.34 C ATOM 543 C THR A 35 2.085 5.664 -19.007 1.00 70.35 C ATOM 544 O THR A 35 1.179 6.468 -18.794 1.00 4.33 O ATOM 545 CB THR A 35 1.811 3.274 -18.310 1.00 35.34 C ATOM 546 OG1 THR A 35 3.129 3.235 -17.733 1.00 52.24 O ATOM 547 CG2 THR A 35 1.395 1.874 -18.741 1.00 2.41 C ATOM 0 H THR A 35 3.449 3.215 -20.286 1.00 10.12 H new ATOM 0 HA THR A 35 0.779 4.232 -19.956 1.00 41.34 H new ATOM 0 HB THR A 35 1.107 3.635 -17.560 1.00 35.34 H new ATOM 0 HG1 THR A 35 3.208 3.933 -17.050 1.00 52.24 H new ATOM 0 HG21 THR A 35 1.427 1.204 -17.882 1.00 2.41 H new ATOM 0 HG22 THR A 35 0.382 1.903 -19.141 1.00 2.41 H new ATOM 0 HG23 THR A 35 2.078 1.512 -19.509 1.00 2.41 H new ATOM 555 N ASP A 36 3.370 5.967 -18.822 1.00 52.40 N ATOM 556 CA ASP A 36 3.799 7.279 -18.315 1.00 3.41 C ATOM 557 C ASP A 36 4.881 7.910 -19.217 1.00 61.20 C ATOM 558 O ASP A 36 6.069 7.896 -18.887 1.00 75.33 O ATOM 559 CB ASP A 36 4.324 7.141 -16.878 1.00 4.13 C ATOM 560 CG ASP A 36 3.262 6.636 -15.919 1.00 1.14 C ATOM 561 OD1 ASP A 36 2.478 7.460 -15.405 1.00 22.22 O ATOM 562 OD2 ASP A 36 3.200 5.410 -15.679 1.00 13.04 O ATOM 0 H ASP A 36 4.137 5.323 -19.015 1.00 52.40 H new ATOM 0 HA ASP A 36 2.933 7.940 -18.322 1.00 3.41 H new ATOM 0 HB2 ASP A 36 5.173 6.457 -16.868 1.00 4.13 H new ATOM 0 HB3 ASP A 36 4.690 8.108 -16.534 1.00 4.13 H new ATOM 567 N PRO A 37 4.483 8.482 -20.374 1.00 71.13 N ATOM 568 CA PRO A 37 5.428 9.099 -21.330 1.00 43.55 C ATOM 569 C PRO A 37 6.138 10.343 -20.762 1.00 23.30 C ATOM 570 O PRO A 37 7.125 10.821 -21.325 1.00 43.34 O ATOM 571 CB PRO A 37 4.537 9.485 -22.529 1.00 71.03 C ATOM 572 CG PRO A 37 3.274 8.706 -22.346 1.00 73.01 C ATOM 573 CD PRO A 37 3.095 8.561 -20.860 1.00 12.04 C ATOM 0 HA PRO A 37 6.237 8.414 -21.585 1.00 43.55 H new ATOM 0 HB2 PRO A 37 4.340 10.557 -22.544 1.00 71.03 H new ATOM 0 HB3 PRO A 37 5.019 9.236 -23.474 1.00 71.03 H new ATOM 0 HG2 PRO A 37 2.426 9.225 -22.793 1.00 73.01 H new ATOM 0 HG3 PRO A 37 3.342 7.731 -22.829 1.00 73.01 H new ATOM 0 HD2 PRO A 37 2.563 9.410 -20.431 1.00 12.04 H new ATOM 0 HD3 PRO A 37 2.525 7.667 -20.606 1.00 12.04 H new ATOM 581 N ASP A 38 5.624 10.864 -19.650 1.00 10.21 N ATOM 582 CA ASP A 38 6.196 12.047 -18.998 1.00 21.21 C ATOM 583 C ASP A 38 7.284 11.676 -17.974 1.00 30.43 C ATOM 584 O ASP A 38 7.990 12.547 -17.460 1.00 22.34 O ATOM 585 CB ASP A 38 5.079 12.834 -18.304 1.00 5.44 C ATOM 586 CG ASP A 38 4.248 11.954 -17.386 1.00 72.52 C ATOM 587 OD1 ASP A 38 3.254 11.364 -17.864 1.00 44.32 O ATOM 588 OD2 ASP A 38 4.585 11.841 -16.188 1.00 1.23 O ATOM 0 H ASP A 38 4.805 10.484 -19.176 1.00 10.21 H new ATOM 0 HA ASP A 38 6.667 12.658 -19.768 1.00 21.21 H new ATOM 0 HB2 ASP A 38 5.515 13.650 -17.727 1.00 5.44 H new ATOM 0 HB3 ASP A 38 4.432 13.286 -19.056 1.00 5.44 H new ATOM 593 N TYR A 39 7.410 10.387 -17.667 1.00 11.44 N ATOM 594 CA TYR A 39 8.361 9.929 -16.650 1.00 65.01 C ATOM 595 C TYR A 39 9.790 9.847 -17.226 1.00 33.54 C ATOM 596 O TYR A 39 10.193 8.826 -17.791 1.00 33.13 O ATOM 597 CB TYR A 39 7.908 8.569 -16.088 1.00 51.15 C ATOM 598 CG TYR A 39 8.531 8.202 -14.752 1.00 11.30 C ATOM 599 CD1 TYR A 39 8.626 9.138 -13.726 1.00 40.23 C ATOM 600 CD2 TYR A 39 9.001 6.914 -14.505 1.00 13.44 C ATOM 601 CE1 TYR A 39 9.172 8.803 -12.502 1.00 54.10 C ATOM 602 CE2 TYR A 39 9.549 6.574 -13.282 1.00 22.32 C ATOM 603 CZ TYR A 39 9.632 7.523 -12.284 1.00 42.12 C ATOM 604 OH TYR A 39 10.175 7.191 -11.062 1.00 4.22 O ATOM 0 H TYR A 39 6.869 9.641 -18.105 1.00 11.44 H new ATOM 0 HA TYR A 39 8.381 10.653 -15.835 1.00 65.01 H new ATOM 0 HB2 TYR A 39 6.824 8.578 -15.979 1.00 51.15 H new ATOM 0 HB3 TYR A 39 8.149 7.792 -16.813 1.00 51.15 H new ATOM 0 HD1 TYR A 39 8.267 10.143 -13.890 1.00 40.23 H new ATOM 0 HD2 TYR A 39 8.936 6.168 -15.283 1.00 13.44 H new ATOM 0 HE1 TYR A 39 9.238 9.543 -11.718 1.00 54.10 H new ATOM 0 HE2 TYR A 39 9.910 5.571 -13.109 1.00 22.32 H new ATOM 0 HH TYR A 39 10.450 6.250 -11.071 1.00 4.22 H new ATOM 614 N VAL A 40 10.542 10.938 -17.076 1.00 64.24 N ATOM 615 CA VAL A 40 11.882 11.070 -17.667 1.00 34.04 C ATOM 616 C VAL A 40 12.854 9.997 -17.143 1.00 30.25 C ATOM 617 O VAL A 40 13.672 9.464 -17.901 1.00 61.12 O ATOM 618 CB VAL A 40 12.471 12.480 -17.391 1.00 2.14 C ATOM 619 CG1 VAL A 40 13.837 12.652 -18.058 1.00 44.22 C ATOM 620 CG2 VAL A 40 11.503 13.567 -17.857 1.00 62.24 C ATOM 0 H VAL A 40 10.244 11.755 -16.544 1.00 64.24 H new ATOM 0 HA VAL A 40 11.766 10.928 -18.741 1.00 34.04 H new ATOM 0 HB VAL A 40 12.611 12.579 -16.315 1.00 2.14 H new ATOM 0 HG11 VAL A 40 14.222 13.649 -17.846 1.00 44.22 H new ATOM 0 HG12 VAL A 40 14.529 11.905 -17.668 1.00 44.22 H new ATOM 0 HG13 VAL A 40 13.734 12.524 -19.136 1.00 44.22 H new ATOM 0 HG21 VAL A 40 11.933 14.548 -17.655 1.00 62.24 H new ATOM 0 HG22 VAL A 40 11.326 13.462 -18.927 1.00 62.24 H new ATOM 0 HG23 VAL A 40 10.559 13.468 -17.321 1.00 62.24 H new ATOM 630 N GLY A 41 12.743 9.677 -15.852 1.00 75.05 N ATOM 631 CA GLY A 41 13.606 8.664 -15.241 1.00 62.02 C ATOM 632 C GLY A 41 13.641 7.348 -16.017 1.00 51.15 C ATOM 633 O GLY A 41 14.674 6.670 -16.065 1.00 43.24 O ATOM 0 H GLY A 41 12.070 10.101 -15.214 1.00 75.05 H new ATOM 0 HA2 GLY A 41 14.619 9.059 -15.164 1.00 62.02 H new ATOM 0 HA3 GLY A 41 13.262 8.469 -14.225 1.00 62.02 H new ATOM 637 N THR A 42 12.513 6.987 -16.628 1.00 44.40 N ATOM 638 CA THR A 42 12.432 5.778 -17.454 1.00 34.13 C ATOM 639 C THR A 42 13.374 5.863 -18.660 1.00 44.10 C ATOM 640 O THR A 42 14.194 4.976 -18.877 1.00 20.43 O ATOM 641 CB THR A 42 10.994 5.529 -17.972 1.00 61.54 C ATOM 642 OG1 THR A 42 10.082 5.431 -16.872 1.00 31.40 O ATOM 643 CG2 THR A 42 10.923 4.253 -18.806 1.00 11.53 C ATOM 0 H THR A 42 11.641 7.513 -16.568 1.00 44.40 H new ATOM 0 HA THR A 42 12.730 4.950 -16.811 1.00 34.13 H new ATOM 0 HB THR A 42 10.716 6.373 -18.603 1.00 61.54 H new ATOM 0 HG1 THR A 42 10.084 6.272 -16.369 1.00 31.40 H new ATOM 0 HG21 THR A 42 9.902 4.104 -19.156 1.00 11.53 H new ATOM 0 HG22 THR A 42 11.591 4.341 -19.663 1.00 11.53 H new ATOM 0 HG23 THR A 42 11.225 3.402 -18.196 1.00 11.53 H new ATOM 651 N TYR A 43 13.261 6.950 -19.426 1.00 14.23 N ATOM 652 CA TYR A 43 14.051 7.134 -20.652 1.00 31.53 C ATOM 653 C TYR A 43 15.560 7.037 -20.388 1.00 0.34 C ATOM 654 O TYR A 43 16.289 6.384 -21.135 1.00 53.55 O ATOM 655 CB TYR A 43 13.732 8.491 -21.292 1.00 54.13 C ATOM 656 CG TYR A 43 12.299 8.629 -21.778 1.00 23.32 C ATOM 657 CD1 TYR A 43 11.288 9.060 -20.924 1.00 64.53 C ATOM 658 CD2 TYR A 43 11.961 8.342 -23.098 1.00 75.14 C ATOM 659 CE1 TYR A 43 9.987 9.198 -21.370 1.00 30.14 C ATOM 660 CE2 TYR A 43 10.662 8.476 -23.548 1.00 54.32 C ATOM 661 CZ TYR A 43 9.680 8.905 -22.682 1.00 54.10 C ATOM 662 OH TYR A 43 8.388 9.048 -23.129 1.00 55.42 O ATOM 0 H TYR A 43 12.627 7.722 -19.220 1.00 14.23 H new ATOM 0 HA TYR A 43 13.776 6.329 -21.333 1.00 31.53 H new ATOM 0 HB2 TYR A 43 13.935 9.279 -20.567 1.00 54.13 H new ATOM 0 HB3 TYR A 43 14.406 8.651 -22.133 1.00 54.13 H new ATOM 0 HD1 TYR A 43 11.524 9.290 -19.896 1.00 64.53 H new ATOM 0 HD2 TYR A 43 12.728 8.009 -23.782 1.00 75.14 H new ATOM 0 HE1 TYR A 43 9.215 9.534 -20.694 1.00 30.14 H new ATOM 0 HE2 TYR A 43 10.417 8.245 -24.574 1.00 54.32 H new ATOM 0 HH TYR A 43 7.902 9.656 -22.534 1.00 55.42 H new ATOM 672 N TYR A 44 16.022 7.688 -19.322 1.00 52.22 N ATOM 673 CA TYR A 44 17.452 7.716 -18.992 1.00 23.03 C ATOM 674 C TYR A 44 18.000 6.307 -18.690 1.00 73.30 C ATOM 675 O TYR A 44 19.007 5.888 -19.261 1.00 74.32 O ATOM 676 CB TYR A 44 17.698 8.650 -17.800 1.00 25.31 C ATOM 677 CG TYR A 44 19.169 8.900 -17.507 1.00 53.50 C ATOM 678 CD1 TYR A 44 19.881 9.872 -18.205 1.00 4.31 C ATOM 679 CD2 TYR A 44 19.846 8.166 -16.537 1.00 71.23 C ATOM 680 CE1 TYR A 44 21.219 10.102 -17.948 1.00 63.50 C ATOM 681 CE2 TYR A 44 21.184 8.391 -16.276 1.00 65.11 C ATOM 682 CZ TYR A 44 21.866 9.360 -16.982 1.00 4.23 C ATOM 683 OH TYR A 44 23.202 9.583 -16.725 1.00 0.40 O ATOM 0 H TYR A 44 15.430 8.204 -18.671 1.00 52.22 H new ATOM 0 HA TYR A 44 17.986 8.094 -19.864 1.00 23.03 H new ATOM 0 HB2 TYR A 44 17.208 9.605 -17.992 1.00 25.31 H new ATOM 0 HB3 TYR A 44 17.228 8.223 -16.914 1.00 25.31 H new ATOM 0 HD1 TYR A 44 19.378 10.457 -18.961 1.00 4.31 H new ATOM 0 HD2 TYR A 44 19.316 7.408 -15.979 1.00 71.23 H new ATOM 0 HE1 TYR A 44 21.755 10.859 -18.501 1.00 63.50 H new ATOM 0 HE2 TYR A 44 21.694 7.810 -15.522 1.00 65.11 H new ATOM 0 HH TYR A 44 23.447 9.159 -15.876 1.00 0.40 H new ATOM 693 N HIS A 45 17.329 5.576 -17.796 1.00 42.32 N ATOM 694 CA HIS A 45 17.778 4.228 -17.414 1.00 71.22 C ATOM 695 C HIS A 45 17.507 3.196 -18.525 1.00 63.31 C ATOM 696 O HIS A 45 18.241 2.217 -18.667 1.00 62.24 O ATOM 697 CB HIS A 45 17.111 3.791 -16.102 1.00 4.11 C ATOM 698 CG HIS A 45 17.585 4.571 -14.912 1.00 12.13 C ATOM 699 ND1 HIS A 45 18.451 4.058 -13.968 1.00 70.44 N ATOM 700 CD2 HIS A 45 17.313 5.838 -14.514 1.00 71.13 C ATOM 701 CE1 HIS A 45 18.691 4.973 -13.050 1.00 64.31 C ATOM 702 NE2 HIS A 45 18.015 6.060 -13.357 1.00 20.14 N ATOM 0 H HIS A 45 16.480 5.888 -17.325 1.00 42.32 H new ATOM 0 HA HIS A 45 18.857 4.273 -17.265 1.00 71.22 H new ATOM 0 HB2 HIS A 45 16.031 3.903 -16.196 1.00 4.11 H new ATOM 0 HB3 HIS A 45 17.308 2.732 -15.937 1.00 4.11 H new ATOM 0 HD2 HIS A 45 16.664 6.541 -15.015 1.00 71.13 H new ATOM 0 HE1 HIS A 45 19.334 4.851 -12.191 1.00 64.31 H new ATOM 0 HE2 HIS A 45 18.014 6.928 -12.821 1.00 20.14 H new ATOM 711 N LEU A 46 16.455 3.423 -19.307 1.00 33.34 N ATOM 712 CA LEU A 46 16.134 2.560 -20.451 1.00 63.10 C ATOM 713 C LEU A 46 17.179 2.715 -21.565 1.00 23.23 C ATOM 714 O LEU A 46 17.614 1.730 -22.168 1.00 15.54 O ATOM 715 CB LEU A 46 14.730 2.890 -20.981 1.00 41.31 C ATOM 716 CG LEU A 46 14.307 2.158 -22.268 1.00 44.12 C ATOM 717 CD1 LEU A 46 14.413 0.646 -22.098 1.00 20.53 C ATOM 718 CD2 LEU A 46 12.888 2.558 -22.673 1.00 54.15 C ATOM 0 H LEU A 46 15.806 4.198 -19.173 1.00 33.34 H new ATOM 0 HA LEU A 46 16.151 1.523 -20.116 1.00 63.10 H new ATOM 0 HB2 LEU A 46 14.005 2.660 -20.200 1.00 41.31 H new ATOM 0 HB3 LEU A 46 14.674 3.963 -21.162 1.00 41.31 H new ATOM 0 HG LEU A 46 14.989 2.455 -23.065 1.00 44.12 H new ATOM 0 HD11 LEU A 46 14.108 0.154 -23.022 1.00 20.53 H new ATOM 0 HD12 LEU A 46 15.444 0.377 -21.866 1.00 20.53 H new ATOM 0 HD13 LEU A 46 13.763 0.325 -21.284 1.00 20.53 H new ATOM 0 HD21 LEU A 46 12.607 2.030 -23.585 1.00 54.15 H new ATOM 0 HD22 LEU A 46 12.194 2.296 -21.874 1.00 54.15 H new ATOM 0 HD23 LEU A 46 12.849 3.633 -22.850 1.00 54.15 H new ATOM 730 N GLY A 47 17.580 3.955 -21.828 1.00 61.43 N ATOM 731 CA GLY A 47 18.631 4.214 -22.803 1.00 71.30 C ATOM 732 C GLY A 47 19.945 3.529 -22.437 1.00 35.53 C ATOM 733 O GLY A 47 20.577 2.888 -23.278 1.00 54.04 O ATOM 0 H GLY A 47 17.196 4.789 -21.383 1.00 61.43 H new ATOM 0 HA2 GLY A 47 18.306 3.869 -23.784 1.00 71.30 H new ATOM 0 HA3 GLY A 47 18.794 5.289 -22.881 1.00 71.30 H new ATOM 737 N LYS A 48 20.346 3.660 -21.170 1.00 10.40 N ATOM 738 CA LYS A 48 21.538 2.978 -20.653 1.00 53.44 C ATOM 739 C LYS A 48 21.428 1.454 -20.832 1.00 72.34 C ATOM 740 O LYS A 48 22.423 0.774 -21.093 1.00 24.11 O ATOM 741 CB LYS A 48 21.749 3.313 -19.166 1.00 75.21 C ATOM 742 CG LYS A 48 21.927 4.800 -18.879 1.00 4.30 C ATOM 743 CD LYS A 48 23.094 5.394 -19.660 1.00 74.40 C ATOM 744 CE LYS A 48 23.315 6.863 -19.325 1.00 12.31 C ATOM 745 NZ LYS A 48 23.801 7.057 -17.930 1.00 13.12 N ATOM 0 H LYS A 48 19.861 4.234 -20.480 1.00 10.40 H new ATOM 0 HA LYS A 48 22.396 3.332 -21.225 1.00 53.44 H new ATOM 0 HB2 LYS A 48 20.895 2.944 -18.597 1.00 75.21 H new ATOM 0 HB3 LYS A 48 22.627 2.777 -18.806 1.00 75.21 H new ATOM 0 HG2 LYS A 48 21.011 5.331 -19.135 1.00 4.30 H new ATOM 0 HG3 LYS A 48 22.092 4.946 -17.812 1.00 4.30 H new ATOM 0 HD2 LYS A 48 24.001 4.831 -19.440 1.00 74.40 H new ATOM 0 HD3 LYS A 48 22.906 5.290 -20.729 1.00 74.40 H new ATOM 0 HE2 LYS A 48 24.038 7.288 -20.022 1.00 12.31 H new ATOM 0 HE3 LYS A 48 22.382 7.409 -19.462 1.00 12.31 H new ATOM 0 HZ1 LYS A 48 23.362 7.908 -17.525 1.00 13.12 H new ATOM 0 HZ2 LYS A 48 23.546 6.229 -17.355 1.00 13.12 H new ATOM 0 HZ3 LYS A 48 24.835 7.170 -17.935 1.00 13.12 H new ATOM 759 N LEU A 49 20.213 0.924 -20.690 1.00 52.25 N ATOM 760 CA LEU A 49 19.967 -0.506 -20.894 1.00 23.55 C ATOM 761 C LEU A 49 20.146 -0.885 -22.373 1.00 53.32 C ATOM 762 O LEU A 49 20.722 -1.925 -22.690 1.00 40.21 O ATOM 763 CB LEU A 49 18.560 -0.883 -20.401 1.00 13.24 C ATOM 764 CG LEU A 49 18.207 -2.382 -20.477 1.00 4.02 C ATOM 765 CD1 LEU A 49 19.252 -3.226 -19.750 1.00 24.11 C ATOM 766 CD2 LEU A 49 16.816 -2.634 -19.897 1.00 51.42 C ATOM 0 H LEU A 49 19.384 1.461 -20.435 1.00 52.25 H new ATOM 0 HA LEU A 49 20.698 -1.067 -20.312 1.00 23.55 H new ATOM 0 HB2 LEU A 49 18.457 -0.556 -19.366 1.00 13.24 H new ATOM 0 HB3 LEU A 49 17.828 -0.326 -20.986 1.00 13.24 H new ATOM 0 HG LEU A 49 18.204 -2.677 -21.526 1.00 4.02 H new ATOM 0 HD11 LEU A 49 18.980 -4.279 -19.818 1.00 24.11 H new ATOM 0 HD12 LEU A 49 20.228 -3.073 -20.210 1.00 24.11 H new ATOM 0 HD13 LEU A 49 19.294 -2.929 -18.702 1.00 24.11 H new ATOM 0 HD21 LEU A 49 16.583 -3.697 -19.959 1.00 51.42 H new ATOM 0 HD22 LEU A 49 16.794 -2.318 -18.854 1.00 51.42 H new ATOM 0 HD23 LEU A 49 16.077 -2.067 -20.464 1.00 51.42 H new ATOM 778 N TYR A 50 19.663 -0.033 -23.277 1.00 3.45 N ATOM 779 CA TYR A 50 19.872 -0.243 -24.715 1.00 52.10 C ATOM 780 C TYR A 50 21.368 -0.204 -25.070 1.00 71.54 C ATOM 781 O TYR A 50 21.878 -1.116 -25.723 1.00 22.25 O ATOM 782 CB TYR A 50 19.104 0.796 -25.546 1.00 42.34 C ATOM 783 CG TYR A 50 17.608 0.543 -25.639 1.00 12.45 C ATOM 784 CD1 TYR A 50 17.119 -0.706 -26.007 1.00 4.55 C ATOM 785 CD2 TYR A 50 16.690 1.555 -25.380 1.00 61.40 C ATOM 786 CE1 TYR A 50 15.761 -0.940 -26.109 1.00 43.32 C ATOM 787 CE2 TYR A 50 15.330 1.327 -25.480 1.00 34.12 C ATOM 788 CZ TYR A 50 14.871 0.079 -25.844 1.00 74.21 C ATOM 789 OH TYR A 50 13.516 -0.149 -25.944 1.00 61.34 O ATOM 0 H TYR A 50 19.128 0.804 -23.045 1.00 3.45 H new ATOM 0 HA TYR A 50 19.485 -1.233 -24.958 1.00 52.10 H new ATOM 0 HB2 TYR A 50 19.267 1.783 -25.113 1.00 42.34 H new ATOM 0 HB3 TYR A 50 19.520 0.817 -26.553 1.00 42.34 H new ATOM 0 HD1 TYR A 50 17.813 -1.507 -26.217 1.00 4.55 H new ATOM 0 HD2 TYR A 50 17.045 2.535 -25.096 1.00 61.40 H new ATOM 0 HE1 TYR A 50 15.399 -1.916 -26.395 1.00 43.32 H new ATOM 0 HE2 TYR A 50 14.630 2.123 -25.274 1.00 34.12 H new ATOM 0 HH TYR A 50 13.029 0.672 -25.723 1.00 61.34 H new ATOM 799 N GLU A 51 22.067 0.850 -24.637 1.00 34.32 N ATOM 800 CA GLU A 51 23.522 0.946 -24.835 1.00 62.10 C ATOM 801 C GLU A 51 24.223 -0.312 -24.301 1.00 74.44 C ATOM 802 O GLU A 51 25.118 -0.863 -24.948 1.00 71.33 O ATOM 803 CB GLU A 51 24.096 2.189 -24.128 1.00 24.42 C ATOM 804 CG GLU A 51 23.549 3.522 -24.635 1.00 12.44 C ATOM 805 CD GLU A 51 24.217 4.720 -23.967 1.00 4.22 C ATOM 806 OE1 GLU A 51 23.922 4.994 -22.783 1.00 32.40 O ATOM 807 OE2 GLU A 51 25.066 5.379 -24.606 1.00 24.31 O ATOM 0 H GLU A 51 21.655 1.646 -24.150 1.00 34.32 H new ATOM 0 HA GLU A 51 23.704 1.034 -25.906 1.00 62.10 H new ATOM 0 HB2 GLU A 51 23.891 2.110 -23.060 1.00 24.42 H new ATOM 0 HB3 GLU A 51 25.180 2.189 -24.245 1.00 24.42 H new ATOM 0 HG2 GLU A 51 23.694 3.584 -25.714 1.00 12.44 H new ATOM 0 HG3 GLU A 51 22.475 3.562 -24.455 1.00 12.44 H new ATOM 814 N ARG A 52 23.789 -0.763 -23.121 1.00 32.53 N ATOM 815 CA ARG A 52 24.319 -1.976 -22.486 1.00 54.41 C ATOM 816 C ARG A 52 24.098 -3.217 -23.373 1.00 23.23 C ATOM 817 O ARG A 52 24.975 -4.072 -23.506 1.00 1.22 O ATOM 818 CB ARG A 52 23.631 -2.183 -21.128 1.00 51.15 C ATOM 819 CG ARG A 52 24.324 -3.194 -20.222 1.00 15.01 C ATOM 820 CD ARG A 52 23.506 -3.496 -18.968 1.00 41.33 C ATOM 821 NE ARG A 52 23.061 -2.283 -18.274 1.00 51.52 N ATOM 822 CZ ARG A 52 22.925 -2.189 -16.977 1.00 21.03 C ATOM 823 NH1 ARG A 52 23.321 -3.152 -16.204 1.00 5.15 N ATOM 824 NH2 ARG A 52 22.415 -1.120 -16.453 1.00 21.44 N ATOM 0 H ARG A 52 23.061 -0.299 -22.578 1.00 32.53 H new ATOM 0 HA ARG A 52 25.392 -1.848 -22.346 1.00 54.41 H new ATOM 0 HB2 ARG A 52 23.578 -1.225 -20.611 1.00 51.15 H new ATOM 0 HB3 ARG A 52 22.605 -2.509 -21.299 1.00 51.15 H new ATOM 0 HG2 ARG A 52 24.495 -4.118 -20.774 1.00 15.01 H new ATOM 0 HG3 ARG A 52 25.302 -2.810 -19.933 1.00 15.01 H new ATOM 0 HD2 ARG A 52 22.636 -4.092 -19.242 1.00 41.33 H new ATOM 0 HD3 ARG A 52 24.104 -4.100 -18.286 1.00 41.33 H new ATOM 0 HE ARG A 52 22.844 -1.462 -18.838 1.00 51.52 H new ATOM 0 HH11 ARG A 52 23.742 -3.989 -16.607 1.00 5.15 H new ATOM 0 HH12 ARG A 52 23.212 -3.072 -15.193 1.00 5.15 H new ATOM 0 HH21 ARG A 52 22.119 -0.350 -17.052 1.00 21.44 H new ATOM 0 HH22 ARG A 52 22.310 -1.048 -15.441 1.00 21.44 H new ATOM 838 N LEU A 53 22.914 -3.301 -23.981 1.00 54.14 N ATOM 839 CA LEU A 53 22.561 -4.417 -24.871 1.00 12.33 C ATOM 840 C LEU A 53 23.038 -4.169 -26.315 1.00 60.21 C ATOM 841 O LEU A 53 22.530 -4.785 -27.257 1.00 3.21 O ATOM 842 CB LEU A 53 21.039 -4.634 -24.859 1.00 73.42 C ATOM 843 CG LEU A 53 20.429 -4.981 -23.490 1.00 42.10 C ATOM 844 CD1 LEU A 53 18.912 -5.117 -23.596 1.00 71.00 C ATOM 845 CD2 LEU A 53 21.047 -6.260 -22.927 1.00 34.31 C ATOM 0 H LEU A 53 22.176 -2.606 -23.874 1.00 54.14 H new ATOM 0 HA LEU A 53 23.065 -5.309 -24.500 1.00 12.33 H new ATOM 0 HB2 LEU A 53 20.558 -3.730 -25.233 1.00 73.42 H new ATOM 0 HB3 LEU A 53 20.798 -5.435 -25.558 1.00 73.42 H new ATOM 0 HG LEU A 53 20.653 -4.166 -22.802 1.00 42.10 H new ATOM 0 HD11 LEU A 53 18.499 -5.363 -22.617 1.00 71.00 H new ATOM 0 HD12 LEU A 53 18.486 -4.176 -23.944 1.00 71.00 H new ATOM 0 HD13 LEU A 53 18.666 -5.910 -24.303 1.00 71.00 H new ATOM 0 HD21 LEU A 53 20.600 -6.485 -21.959 1.00 34.31 H new ATOM 0 HD22 LEU A 53 20.861 -7.086 -23.613 1.00 34.31 H new ATOM 0 HD23 LEU A 53 22.122 -6.123 -22.807 1.00 34.31 H new ATOM 857 N ASP A 54 23.998 -3.250 -26.476 1.00 75.41 N ATOM 858 CA ASP A 54 24.587 -2.926 -27.787 1.00 22.12 C ATOM 859 C ASP A 54 23.568 -2.245 -28.732 1.00 71.22 C ATOM 860 O ASP A 54 23.867 -1.955 -29.892 1.00 41.24 O ATOM 861 CB ASP A 54 25.180 -4.197 -28.422 1.00 22.34 C ATOM 862 CG ASP A 54 25.892 -3.934 -29.737 1.00 23.20 C ATOM 863 OD1 ASP A 54 26.858 -3.140 -29.749 1.00 53.30 O ATOM 864 OD2 ASP A 54 25.496 -4.522 -30.765 1.00 44.43 O ATOM 0 H ASP A 54 24.390 -2.710 -25.705 1.00 75.41 H new ATOM 0 HA ASP A 54 25.389 -2.205 -27.628 1.00 22.12 H new ATOM 0 HB2 ASP A 54 25.881 -4.652 -27.722 1.00 22.34 H new ATOM 0 HB3 ASP A 54 24.381 -4.919 -28.587 1.00 22.34 H new ATOM 869 N ARG A 55 22.375 -1.959 -28.220 1.00 52.11 N ATOM 870 CA ARG A 55 21.335 -1.279 -28.997 1.00 64.21 C ATOM 871 C ARG A 55 21.563 0.245 -28.983 1.00 35.14 C ATOM 872 O ARG A 55 20.722 1.014 -28.512 1.00 34.43 O ATOM 873 CB ARG A 55 19.952 -1.622 -28.424 1.00 24.00 C ATOM 874 CG ARG A 55 19.666 -3.120 -28.326 1.00 31.22 C ATOM 875 CD ARG A 55 19.680 -3.798 -29.693 1.00 2.32 C ATOM 876 NE ARG A 55 18.729 -3.179 -30.620 1.00 42.43 N ATOM 877 CZ ARG A 55 17.846 -3.832 -31.325 1.00 53.41 C ATOM 878 NH1 ARG A 55 17.786 -5.123 -31.280 1.00 70.13 N ATOM 879 NH2 ARG A 55 17.029 -3.186 -32.086 1.00 2.43 N ATOM 0 H ARG A 55 22.100 -2.188 -27.265 1.00 52.11 H new ATOM 0 HA ARG A 55 21.384 -1.621 -30.031 1.00 64.21 H new ATOM 0 HB2 ARG A 55 19.864 -1.181 -27.431 1.00 24.00 H new ATOM 0 HB3 ARG A 55 19.188 -1.158 -29.048 1.00 24.00 H new ATOM 0 HG2 ARG A 55 20.410 -3.589 -27.682 1.00 31.22 H new ATOM 0 HG3 ARG A 55 18.695 -3.273 -27.856 1.00 31.22 H new ATOM 0 HD2 ARG A 55 20.684 -3.745 -30.114 1.00 2.32 H new ATOM 0 HD3 ARG A 55 19.438 -4.854 -29.577 1.00 2.32 H new ATOM 0 HE ARG A 55 18.759 -2.165 -30.722 1.00 42.43 H new ATOM 0 HH11 ARG A 55 18.434 -5.643 -30.688 1.00 70.13 H new ATOM 0 HH12 ARG A 55 17.091 -5.621 -31.836 1.00 70.13 H new ATOM 0 HH21 ARG A 55 17.074 -2.168 -32.135 1.00 2.43 H new ATOM 0 HH22 ARG A 55 16.338 -3.693 -32.638 1.00 2.43 H new ATOM 893 N THR A 56 22.711 0.669 -29.508 1.00 70.13 N ATOM 894 CA THR A 56 23.145 2.073 -29.433 1.00 4.25 C ATOM 895 C THR A 56 22.182 3.039 -30.148 1.00 61.01 C ATOM 896 O THR A 56 21.720 4.013 -29.554 1.00 22.42 O ATOM 897 CB THR A 56 24.567 2.240 -30.026 1.00 62.22 C ATOM 898 OG1 THR A 56 25.500 1.411 -29.311 1.00 15.33 O ATOM 899 CG2 THR A 56 25.030 3.692 -29.971 1.00 44.23 C ATOM 0 H THR A 56 23.366 0.058 -29.995 1.00 70.13 H new ATOM 0 HA THR A 56 23.148 2.331 -28.374 1.00 4.25 H new ATOM 0 HB THR A 56 24.527 1.934 -31.071 1.00 62.22 H new ATOM 0 HG1 THR A 56 26.396 1.521 -29.693 1.00 15.33 H new ATOM 0 HG21 THR A 56 26.031 3.771 -30.395 1.00 44.23 H new ATOM 0 HG22 THR A 56 24.343 4.315 -30.544 1.00 44.23 H new ATOM 0 HG23 THR A 56 25.048 4.029 -28.935 1.00 44.23 H new ATOM 907 N ASP A 57 21.864 2.763 -31.413 1.00 64.15 N ATOM 908 CA ASP A 57 20.965 3.634 -32.188 1.00 1.12 C ATOM 909 C ASP A 57 19.539 3.620 -31.616 1.00 54.42 C ATOM 910 O ASP A 57 18.817 4.623 -31.670 1.00 72.21 O ATOM 911 CB ASP A 57 20.953 3.205 -33.655 1.00 41.13 C ATOM 912 CG ASP A 57 22.345 3.214 -34.253 1.00 61.31 C ATOM 913 OD1 ASP A 57 22.865 4.311 -34.547 1.00 64.13 O ATOM 914 OD2 ASP A 57 22.926 2.122 -34.428 1.00 54.34 O ATOM 0 H ASP A 57 22.210 1.951 -31.924 1.00 64.15 H new ATOM 0 HA ASP A 57 21.342 4.654 -32.117 1.00 1.12 H new ATOM 0 HB2 ASP A 57 20.528 2.205 -33.738 1.00 41.13 H new ATOM 0 HB3 ASP A 57 20.308 3.874 -34.225 1.00 41.13 H new ATOM 919 N ASP A 58 19.141 2.478 -31.068 1.00 74.43 N ATOM 920 CA ASP A 58 17.853 2.349 -30.388 1.00 30.04 C ATOM 921 C ASP A 58 17.820 3.234 -29.129 1.00 4.20 C ATOM 922 O ASP A 58 16.804 3.858 -28.814 1.00 23.30 O ATOM 923 CB ASP A 58 17.615 0.886 -30.017 1.00 45.53 C ATOM 924 CG ASP A 58 17.874 -0.045 -31.189 1.00 22.33 C ATOM 925 OD1 ASP A 58 19.049 -0.417 -31.405 1.00 23.22 O ATOM 926 OD2 ASP A 58 16.915 -0.409 -31.897 1.00 53.22 O ATOM 0 H ASP A 58 19.694 1.621 -31.081 1.00 74.43 H new ATOM 0 HA ASP A 58 17.060 2.680 -31.059 1.00 30.04 H new ATOM 0 HB2 ASP A 58 18.264 0.612 -29.185 1.00 45.53 H new ATOM 0 HB3 ASP A 58 16.588 0.761 -29.674 1.00 45.53 H new ATOM 931 N ALA A 59 18.950 3.286 -28.421 1.00 65.53 N ATOM 932 CA ALA A 59 19.101 4.168 -27.261 1.00 12.25 C ATOM 933 C ALA A 59 18.976 5.641 -27.671 1.00 5.41 C ATOM 934 O ALA A 59 18.272 6.415 -27.028 1.00 43.44 O ATOM 935 CB ALA A 59 20.444 3.923 -26.581 1.00 63.44 C ATOM 0 H ALA A 59 19.776 2.726 -28.631 1.00 65.53 H new ATOM 0 HA ALA A 59 18.301 3.941 -26.556 1.00 12.25 H new ATOM 0 HB1 ALA A 59 20.542 4.585 -25.721 1.00 63.44 H new ATOM 0 HB2 ALA A 59 20.500 2.886 -26.249 1.00 63.44 H new ATOM 0 HB3 ALA A 59 21.251 4.122 -27.286 1.00 63.44 H new ATOM 941 N ILE A 60 19.656 6.010 -28.759 1.00 63.22 N ATOM 942 CA ILE A 60 19.634 7.387 -29.275 1.00 32.45 C ATOM 943 C ILE A 60 18.195 7.896 -29.481 1.00 23.33 C ATOM 944 O ILE A 60 17.829 8.968 -28.992 1.00 31.13 O ATOM 945 CB ILE A 60 20.412 7.492 -30.615 1.00 10.02 C ATOM 946 CG1 ILE A 60 21.873 7.053 -30.421 1.00 74.02 C ATOM 947 CG2 ILE A 60 20.352 8.915 -31.174 1.00 62.02 C ATOM 948 CD1 ILE A 60 22.666 6.976 -31.710 1.00 62.30 C ATOM 0 H ILE A 60 20.234 5.371 -29.305 1.00 63.22 H new ATOM 0 HA ILE A 60 20.120 8.012 -28.525 1.00 32.45 H new ATOM 0 HB ILE A 60 19.938 6.825 -31.336 1.00 10.02 H new ATOM 0 HG12 ILE A 60 22.365 7.751 -29.744 1.00 74.02 H new ATOM 0 HG13 ILE A 60 21.888 6.076 -29.938 1.00 74.02 H new ATOM 0 HG21 ILE A 60 20.905 8.961 -32.112 1.00 62.02 H new ATOM 0 HG22 ILE A 60 19.313 9.193 -31.351 1.00 62.02 H new ATOM 0 HG23 ILE A 60 20.796 9.606 -30.458 1.00 62.02 H new ATOM 0 HD11 ILE A 60 23.686 6.660 -31.491 1.00 62.30 H new ATOM 0 HD12 ILE A 60 22.199 6.256 -32.382 1.00 62.30 H new ATOM 0 HD13 ILE A 60 22.684 7.957 -32.185 1.00 62.30 H new ATOM 960 N ASP A 61 17.381 7.114 -30.195 1.00 62.40 N ATOM 961 CA ASP A 61 15.976 7.475 -30.441 1.00 53.35 C ATOM 962 C ASP A 61 15.193 7.598 -29.121 1.00 42.23 C ATOM 963 O ASP A 61 14.384 8.515 -28.944 1.00 74.11 O ATOM 964 CB ASP A 61 15.314 6.439 -31.361 1.00 11.34 C ATOM 965 CG ASP A 61 13.909 6.847 -31.774 1.00 61.03 C ATOM 966 OD1 ASP A 61 13.775 7.689 -32.686 1.00 41.03 O ATOM 967 OD2 ASP A 61 12.933 6.341 -31.184 1.00 53.22 O ATOM 0 H ASP A 61 17.666 6.229 -30.613 1.00 62.40 H new ATOM 0 HA ASP A 61 15.958 8.447 -30.933 1.00 53.35 H new ATOM 0 HB2 ASP A 61 15.927 6.304 -32.252 1.00 11.34 H new ATOM 0 HB3 ASP A 61 15.275 5.476 -30.851 1.00 11.34 H new ATOM 972 N THR A 62 15.450 6.672 -28.197 1.00 22.34 N ATOM 973 CA THR A 62 14.832 6.704 -26.863 1.00 62.50 C ATOM 974 C THR A 62 15.203 7.993 -26.113 1.00 11.34 C ATOM 975 O THR A 62 14.354 8.631 -25.484 1.00 41.44 O ATOM 976 CB THR A 62 15.256 5.475 -26.015 1.00 41.20 C ATOM 977 OG1 THR A 62 14.871 4.261 -26.680 1.00 2.44 O ATOM 978 CG2 THR A 62 14.629 5.512 -24.623 1.00 43.14 C ATOM 0 H THR A 62 16.084 5.886 -28.345 1.00 22.34 H new ATOM 0 HA THR A 62 13.752 6.675 -27.010 1.00 62.50 H new ATOM 0 HB THR A 62 16.340 5.508 -25.904 1.00 41.20 H new ATOM 0 HG1 THR A 62 15.503 4.070 -27.404 1.00 2.44 H new ATOM 0 HG21 THR A 62 14.948 4.637 -24.057 1.00 43.14 H new ATOM 0 HG22 THR A 62 14.949 6.416 -24.104 1.00 43.14 H new ATOM 0 HG23 THR A 62 13.543 5.510 -24.713 1.00 43.14 H new ATOM 986 N TYR A 63 16.479 8.377 -26.191 1.00 35.30 N ATOM 987 CA TYR A 63 16.947 9.631 -25.595 1.00 50.42 C ATOM 988 C TYR A 63 16.293 10.843 -26.268 1.00 53.11 C ATOM 989 O TYR A 63 15.991 11.830 -25.608 1.00 71.21 O ATOM 990 CB TYR A 63 18.478 9.754 -25.685 1.00 24.22 C ATOM 991 CG TYR A 63 19.232 8.815 -24.757 1.00 60.32 C ATOM 992 CD1 TYR A 63 19.024 8.856 -23.383 1.00 12.51 C ATOM 993 CD2 TYR A 63 20.158 7.900 -25.251 1.00 45.14 C ATOM 994 CE1 TYR A 63 19.712 8.016 -22.529 1.00 65.13 C ATOM 995 CE2 TYR A 63 20.849 7.055 -24.403 1.00 14.21 C ATOM 996 CZ TYR A 63 20.623 7.117 -23.043 1.00 44.10 C ATOM 997 OH TYR A 63 21.307 6.276 -22.194 1.00 10.11 O ATOM 0 H TYR A 63 17.207 7.838 -26.661 1.00 35.30 H new ATOM 0 HA TYR A 63 16.658 9.614 -24.544 1.00 50.42 H new ATOM 0 HB2 TYR A 63 18.788 9.559 -26.712 1.00 24.22 H new ATOM 0 HB3 TYR A 63 18.763 10.781 -25.456 1.00 24.22 H new ATOM 0 HD1 TYR A 63 18.311 9.558 -22.976 1.00 12.51 H new ATOM 0 HD2 TYR A 63 20.339 7.850 -26.314 1.00 45.14 H new ATOM 0 HE1 TYR A 63 19.537 8.063 -21.464 1.00 65.13 H new ATOM 0 HE2 TYR A 63 21.562 6.350 -24.803 1.00 14.21 H new ATOM 0 HH TYR A 63 22.132 5.974 -22.627 1.00 10.11 H new ATOM 1007 N ALA A 64 16.075 10.759 -27.582 1.00 72.25 N ATOM 1008 CA ALA A 64 15.435 11.843 -28.339 1.00 23.35 C ATOM 1009 C ALA A 64 14.032 12.160 -27.795 1.00 22.13 C ATOM 1010 O ALA A 64 13.732 13.305 -27.448 1.00 11.04 O ATOM 1011 CB ALA A 64 15.364 11.480 -29.818 1.00 30.33 C ATOM 0 H ALA A 64 16.332 9.950 -28.148 1.00 72.25 H new ATOM 0 HA ALA A 64 16.044 12.739 -28.221 1.00 23.35 H new ATOM 0 HB1 ALA A 64 14.888 12.291 -30.369 1.00 30.33 H new ATOM 0 HB2 ALA A 64 16.372 11.322 -30.203 1.00 30.33 H new ATOM 0 HB3 ALA A 64 14.782 10.567 -29.941 1.00 30.33 H new ATOM 1017 N GLN A 65 13.179 11.136 -27.718 1.00 4.14 N ATOM 1018 CA GLN A 65 11.835 11.291 -27.141 1.00 12.51 C ATOM 1019 C GLN A 65 11.932 11.745 -25.673 1.00 64.02 C ATOM 1020 O GLN A 65 11.090 12.501 -25.180 1.00 3.34 O ATOM 1021 CB GLN A 65 11.044 9.965 -27.252 1.00 33.24 C ATOM 1022 CG GLN A 65 9.637 10.119 -27.841 1.00 73.34 C ATOM 1023 CD GLN A 65 8.684 10.936 -26.974 1.00 12.05 C ATOM 1024 OE1 GLN A 65 7.812 11.637 -27.481 1.00 63.52 O ATOM 1025 NE2 GLN A 65 8.811 10.828 -25.665 1.00 40.04 N ATOM 0 H GLN A 65 13.390 10.193 -28.045 1.00 4.14 H new ATOM 0 HA GLN A 65 11.300 12.057 -27.703 1.00 12.51 H new ATOM 0 HB2 GLN A 65 11.610 9.268 -27.870 1.00 33.24 H new ATOM 0 HB3 GLN A 65 10.964 9.519 -26.261 1.00 33.24 H new ATOM 0 HG2 GLN A 65 9.715 10.591 -28.821 1.00 73.34 H new ATOM 0 HG3 GLN A 65 9.210 9.128 -27.997 1.00 73.34 H new ATOM 0 HE21 GLN A 65 9.544 10.239 -25.271 1.00 40.04 H new ATOM 0 HE22 GLN A 65 8.176 11.334 -25.048 1.00 40.04 H new ATOM 1034 N GLY A 66 12.975 11.276 -24.984 1.00 21.15 N ATOM 1035 CA GLY A 66 13.231 11.705 -23.615 1.00 4.03 C ATOM 1036 C GLY A 66 13.565 13.190 -23.514 1.00 20.33 C ATOM 1037 O GLY A 66 13.082 13.880 -22.621 1.00 3.42 O ATOM 0 H GLY A 66 13.649 10.604 -25.352 1.00 21.15 H new ATOM 0 HA2 GLY A 66 12.355 11.492 -23.002 1.00 4.03 H new ATOM 0 HA3 GLY A 66 14.056 11.123 -23.205 1.00 4.03 H new ATOM 1041 N ILE A 67 14.391 13.675 -24.438 1.00 4.20 N ATOM 1042 CA ILE A 67 14.786 15.090 -24.491 1.00 71.21 C ATOM 1043 C ILE A 67 13.559 16.005 -24.568 1.00 32.42 C ATOM 1044 O ILE A 67 13.468 17.021 -23.869 1.00 24.44 O ATOM 1045 CB ILE A 67 15.706 15.345 -25.718 1.00 11.35 C ATOM 1046 CG1 ILE A 67 17.070 14.668 -25.508 1.00 72.24 C ATOM 1047 CG2 ILE A 67 15.879 16.838 -25.996 1.00 12.33 C ATOM 1048 CD1 ILE A 67 17.975 14.732 -26.719 1.00 12.33 C ATOM 0 H ILE A 67 14.808 13.103 -25.173 1.00 4.20 H new ATOM 0 HA ILE A 67 15.330 15.320 -23.575 1.00 71.21 H new ATOM 0 HB ILE A 67 15.225 14.907 -26.593 1.00 11.35 H new ATOM 0 HG12 ILE A 67 17.573 15.140 -24.664 1.00 72.24 H new ATOM 0 HG13 ILE A 67 16.910 13.624 -25.240 1.00 72.24 H new ATOM 0 HG21 ILE A 67 16.528 16.974 -26.861 1.00 12.33 H new ATOM 0 HG22 ILE A 67 14.906 17.285 -26.199 1.00 12.33 H new ATOM 0 HG23 ILE A 67 16.326 17.321 -25.127 1.00 12.33 H new ATOM 0 HD11 ILE A 67 18.918 14.234 -26.495 1.00 12.33 H new ATOM 0 HD12 ILE A 67 17.493 14.234 -27.560 1.00 12.33 H new ATOM 0 HD13 ILE A 67 18.167 15.774 -26.975 1.00 12.33 H new ATOM 1060 N GLU A 68 12.615 15.621 -25.416 1.00 13.35 N ATOM 1061 CA GLU A 68 11.374 16.371 -25.601 1.00 3.21 C ATOM 1062 C GLU A 68 10.585 16.492 -24.284 1.00 15.32 C ATOM 1063 O GLU A 68 10.273 17.599 -23.830 1.00 72.42 O ATOM 1064 CB GLU A 68 10.524 15.685 -26.681 1.00 1.52 C ATOM 1065 CG GLU A 68 11.280 15.469 -27.990 1.00 55.21 C ATOM 1066 CD GLU A 68 10.427 14.837 -29.078 1.00 31.44 C ATOM 1067 OE1 GLU A 68 9.668 15.573 -29.740 1.00 11.23 O ATOM 1068 OE2 GLU A 68 10.525 13.608 -29.289 1.00 73.14 O ATOM 0 H GLU A 68 12.684 14.784 -25.995 1.00 13.35 H new ATOM 0 HA GLU A 68 11.623 17.383 -25.921 1.00 3.21 H new ATOM 0 HB2 GLU A 68 10.178 14.722 -26.305 1.00 1.52 H new ATOM 0 HB3 GLU A 68 9.638 16.289 -26.876 1.00 1.52 H new ATOM 0 HG2 GLU A 68 11.659 16.427 -28.345 1.00 55.21 H new ATOM 0 HG3 GLU A 68 12.146 14.834 -27.801 1.00 55.21 H new ATOM 1075 N VAL A 69 10.289 15.355 -23.658 1.00 51.52 N ATOM 1076 CA VAL A 69 9.538 15.346 -22.395 1.00 61.15 C ATOM 1077 C VAL A 69 10.381 15.875 -21.216 1.00 44.13 C ATOM 1078 O VAL A 69 9.838 16.357 -20.222 1.00 41.10 O ATOM 1079 CB VAL A 69 9.002 13.928 -22.055 1.00 10.32 C ATOM 1080 CG1 VAL A 69 8.090 13.413 -23.168 1.00 41.34 C ATOM 1081 CG2 VAL A 69 10.149 12.951 -21.792 1.00 23.22 C ATOM 0 H VAL A 69 10.554 14.431 -23.998 1.00 51.52 H new ATOM 0 HA VAL A 69 8.691 16.016 -22.542 1.00 61.15 H new ATOM 0 HB VAL A 69 8.414 14.002 -21.140 1.00 10.32 H new ATOM 0 HG11 VAL A 69 7.726 12.419 -22.909 1.00 41.34 H new ATOM 0 HG12 VAL A 69 7.244 14.090 -23.287 1.00 41.34 H new ATOM 0 HG13 VAL A 69 8.649 13.363 -24.102 1.00 41.34 H new ATOM 0 HG21 VAL A 69 9.742 11.967 -21.557 1.00 23.22 H new ATOM 0 HG22 VAL A 69 10.778 12.881 -22.679 1.00 23.22 H new ATOM 0 HG23 VAL A 69 10.745 13.307 -20.952 1.00 23.22 H new ATOM 1091 N ALA A 70 11.706 15.794 -21.334 1.00 71.53 N ATOM 1092 CA ALA A 70 12.609 16.292 -20.288 1.00 45.53 C ATOM 1093 C ALA A 70 12.539 17.818 -20.163 1.00 34.01 C ATOM 1094 O ALA A 70 12.431 18.355 -19.063 1.00 1.43 O ATOM 1095 CB ALA A 70 14.045 15.859 -20.565 1.00 24.33 C ATOM 0 H ALA A 70 12.181 15.389 -22.141 1.00 71.53 H new ATOM 0 HA ALA A 70 12.282 15.858 -19.343 1.00 45.53 H new ATOM 0 HB1 ALA A 70 14.698 16.238 -19.779 1.00 24.33 H new ATOM 0 HB2 ALA A 70 14.099 14.771 -20.588 1.00 24.33 H new ATOM 0 HB3 ALA A 70 14.366 16.258 -21.527 1.00 24.33 H new ATOM 1101 N ARG A 71 12.598 18.512 -21.298 1.00 40.33 N ATOM 1102 CA ARG A 71 12.546 19.979 -21.308 1.00 72.02 C ATOM 1103 C ARG A 71 11.139 20.504 -20.964 1.00 11.05 C ATOM 1104 O ARG A 71 10.994 21.606 -20.429 1.00 5.35 O ATOM 1105 CB ARG A 71 13.004 20.522 -22.674 1.00 52.03 C ATOM 1106 CG ARG A 71 12.126 20.094 -23.847 1.00 43.51 C ATOM 1107 CD ARG A 71 12.699 20.556 -25.186 1.00 40.02 C ATOM 1108 NE ARG A 71 12.825 22.012 -25.270 1.00 73.12 N ATOM 1109 CZ ARG A 71 13.609 22.635 -26.112 1.00 22.13 C ATOM 1110 NH1 ARG A 71 14.311 21.969 -26.977 1.00 63.04 N ATOM 1111 NH2 ARG A 71 13.672 23.928 -26.105 1.00 24.31 N ATOM 0 H ARG A 71 12.682 18.087 -22.222 1.00 40.33 H new ATOM 0 HA ARG A 71 13.227 20.338 -20.537 1.00 72.02 H new ATOM 0 HB2 ARG A 71 13.026 21.611 -22.630 1.00 52.03 H new ATOM 0 HB3 ARG A 71 14.025 20.190 -22.860 1.00 52.03 H new ATOM 0 HG2 ARG A 71 12.027 19.008 -23.849 1.00 43.51 H new ATOM 0 HG3 ARG A 71 11.124 20.505 -23.720 1.00 43.51 H new ATOM 0 HD2 ARG A 71 13.678 20.101 -25.335 1.00 40.02 H new ATOM 0 HD3 ARG A 71 12.057 20.203 -25.993 1.00 40.02 H new ATOM 0 HE ARG A 71 12.266 22.577 -24.631 1.00 73.12 H new ATOM 0 HH11 ARG A 71 14.254 20.951 -27.004 1.00 63.04 H new ATOM 0 HH12 ARG A 71 14.919 22.464 -27.629 1.00 63.04 H new ATOM 0 HH21 ARG A 71 13.110 24.462 -25.442 1.00 24.31 H new ATOM 0 HH22 ARG A 71 14.284 24.412 -26.762 1.00 24.31 H new ATOM 1125 N GLU A 72 10.101 19.723 -21.279 1.00 31.22 N ATOM 1126 CA GLU A 72 8.719 20.131 -20.987 1.00 44.52 C ATOM 1127 C GLU A 72 8.300 19.803 -19.543 1.00 65.23 C ATOM 1128 O GLU A 72 7.843 20.680 -18.804 1.00 21.03 O ATOM 1129 CB GLU A 72 7.746 19.452 -21.964 1.00 14.23 C ATOM 1130 CG GLU A 72 7.880 19.923 -23.410 1.00 1.30 C ATOM 1131 CD GLU A 72 6.824 19.317 -24.328 1.00 31.30 C ATOM 1132 OE1 GLU A 72 5.640 19.702 -24.211 1.00 32.13 O ATOM 1133 OE2 GLU A 72 7.170 18.466 -25.175 1.00 11.05 O ATOM 0 H GLU A 72 10.187 18.813 -21.732 1.00 31.22 H new ATOM 0 HA GLU A 72 8.679 21.214 -21.108 1.00 44.52 H new ATOM 0 HB2 GLU A 72 7.906 18.374 -21.928 1.00 14.23 H new ATOM 0 HB3 GLU A 72 6.725 19.634 -21.628 1.00 14.23 H new ATOM 0 HG2 GLU A 72 7.803 21.010 -23.442 1.00 1.30 H new ATOM 0 HG3 GLU A 72 8.871 19.663 -23.782 1.00 1.30 H new ATOM 1140 N GLU A 73 8.473 18.547 -19.139 1.00 32.12 N ATOM 1141 CA GLU A 73 7.981 18.070 -17.838 1.00 33.32 C ATOM 1142 C GLU A 73 9.089 18.021 -16.772 1.00 72.52 C ATOM 1143 O GLU A 73 8.856 18.352 -15.608 1.00 32.41 O ATOM 1144 CB GLU A 73 7.357 16.675 -17.999 1.00 5.21 C ATOM 1145 CG GLU A 73 6.267 16.593 -19.068 1.00 15.20 C ATOM 1146 CD GLU A 73 5.088 17.516 -18.789 1.00 72.24 C ATOM 1147 OE1 GLU A 73 4.297 17.216 -17.868 1.00 1.35 O ATOM 1148 OE2 GLU A 73 4.941 18.546 -19.487 1.00 13.22 O ATOM 0 H GLU A 73 8.951 17.835 -19.692 1.00 32.12 H new ATOM 0 HA GLU A 73 7.230 18.782 -17.495 1.00 33.32 H new ATOM 0 HB2 GLU A 73 8.145 15.963 -18.245 1.00 5.21 H new ATOM 0 HB3 GLU A 73 6.936 16.366 -17.043 1.00 5.21 H new ATOM 0 HG2 GLU A 73 6.697 16.845 -20.037 1.00 15.20 H new ATOM 0 HG3 GLU A 73 5.909 15.566 -19.136 1.00 15.20 H new ATOM 1155 N GLY A 74 10.287 17.600 -17.172 1.00 3.23 N ATOM 1156 CA GLY A 74 11.391 17.458 -16.225 1.00 62.45 C ATOM 1157 C GLY A 74 12.133 18.765 -15.948 1.00 62.32 C ATOM 1158 O GLY A 74 11.610 19.662 -15.280 1.00 71.24 O ATOM 0 H GLY A 74 10.517 17.354 -18.135 1.00 3.23 H new ATOM 0 HA2 GLY A 74 11.004 17.064 -15.285 1.00 62.45 H new ATOM 0 HA3 GLY A 74 12.098 16.724 -16.612 1.00 62.45 H new ATOM 1162 N THR A 75 13.358 18.873 -16.458 1.00 12.13 N ATOM 1163 CA THR A 75 14.199 20.061 -16.235 1.00 52.22 C ATOM 1164 C THR A 75 15.381 20.121 -17.208 1.00 12.05 C ATOM 1165 O THR A 75 15.736 19.123 -17.844 1.00 0.53 O ATOM 1166 CB THR A 75 14.749 20.121 -14.785 1.00 5.14 C ATOM 1167 OG1 THR A 75 15.688 21.202 -14.653 1.00 53.23 O ATOM 1168 CG2 THR A 75 15.423 18.810 -14.395 1.00 33.15 C ATOM 0 H THR A 75 13.797 18.153 -17.031 1.00 12.13 H new ATOM 0 HA THR A 75 13.547 20.917 -16.409 1.00 52.22 H new ATOM 0 HB THR A 75 13.905 20.288 -14.116 1.00 5.14 H new ATOM 0 HG1 THR A 75 16.027 21.231 -13.734 1.00 53.23 H new ATOM 0 HG21 THR A 75 15.798 18.883 -13.374 1.00 33.15 H new ATOM 0 HG22 THR A 75 14.700 17.996 -14.459 1.00 33.15 H new ATOM 0 HG23 THR A 75 16.253 18.612 -15.073 1.00 33.15 H new ATOM 1176 N GLN A 76 15.997 21.298 -17.311 1.00 31.21 N ATOM 1177 CA GLN A 76 17.149 21.506 -18.193 1.00 22.23 C ATOM 1178 C GLN A 76 18.343 20.622 -17.783 1.00 31.32 C ATOM 1179 O GLN A 76 19.160 20.231 -18.623 1.00 14.02 O ATOM 1180 CB GLN A 76 17.556 22.987 -18.183 1.00 53.43 C ATOM 1181 CG GLN A 76 18.738 23.317 -19.091 1.00 44.31 C ATOM 1182 CD GLN A 76 19.083 24.796 -19.084 1.00 3.23 C ATOM 1183 OE1 GLN A 76 19.870 25.257 -18.263 1.00 14.53 O ATOM 1184 NE2 GLN A 76 18.507 25.553 -19.997 1.00 63.44 N ATOM 0 H GLN A 76 15.716 22.129 -16.791 1.00 31.21 H new ATOM 0 HA GLN A 76 16.856 21.219 -19.203 1.00 22.23 H new ATOM 0 HB2 GLN A 76 16.700 23.590 -18.486 1.00 53.43 H new ATOM 0 HB3 GLN A 76 17.804 23.277 -17.162 1.00 53.43 H new ATOM 0 HG2 GLN A 76 19.608 22.743 -18.772 1.00 44.31 H new ATOM 0 HG3 GLN A 76 18.507 23.006 -20.110 1.00 44.31 H new ATOM 0 HE21 GLN A 76 17.857 25.140 -20.666 1.00 63.44 H new ATOM 0 HE22 GLN A 76 18.711 26.552 -20.034 1.00 63.44 H new ATOM 1193 N LYS A 77 18.431 20.296 -16.494 1.00 41.34 N ATOM 1194 CA LYS A 77 19.511 19.439 -15.986 1.00 72.55 C ATOM 1195 C LYS A 77 19.446 18.036 -16.613 1.00 43.55 C ATOM 1196 O LYS A 77 20.437 17.542 -17.156 1.00 13.55 O ATOM 1197 CB LYS A 77 19.428 19.342 -14.457 1.00 12.25 C ATOM 1198 CG LYS A 77 20.524 18.486 -13.821 1.00 3.35 C ATOM 1199 CD LYS A 77 20.420 18.473 -12.296 1.00 22.41 C ATOM 1200 CE LYS A 77 19.095 17.887 -11.817 1.00 1.52 C ATOM 1201 NZ LYS A 77 18.970 17.948 -10.337 1.00 62.41 N ATOM 0 H LYS A 77 17.772 20.609 -15.782 1.00 41.34 H new ATOM 0 HA LYS A 77 20.464 19.889 -16.265 1.00 72.55 H new ATOM 0 HB2 LYS A 77 19.478 20.347 -14.037 1.00 12.25 H new ATOM 0 HB3 LYS A 77 18.457 18.931 -14.183 1.00 12.25 H new ATOM 0 HG2 LYS A 77 20.454 17.466 -14.199 1.00 3.35 H new ATOM 0 HG3 LYS A 77 21.501 18.869 -14.116 1.00 3.35 H new ATOM 0 HD2 LYS A 77 21.244 17.892 -11.882 1.00 22.41 H new ATOM 0 HD3 LYS A 77 20.525 19.490 -11.917 1.00 22.41 H new ATOM 0 HE2 LYS A 77 18.269 18.432 -12.275 1.00 1.52 H new ATOM 0 HE3 LYS A 77 19.015 16.851 -12.147 1.00 1.52 H new ATOM 0 HZ1 LYS A 77 18.057 17.541 -10.049 1.00 62.41 H new ATOM 0 HZ2 LYS A 77 19.744 17.407 -9.901 1.00 62.41 H new ATOM 0 HZ3 LYS A 77 19.021 18.939 -10.025 1.00 62.41 H new ATOM 1215 N ASP A 78 18.268 17.412 -16.559 1.00 32.34 N ATOM 1216 CA ASP A 78 18.047 16.113 -17.204 1.00 55.53 C ATOM 1217 C ASP A 78 18.082 16.245 -18.734 1.00 14.04 C ATOM 1218 O ASP A 78 18.511 15.329 -19.440 1.00 21.00 O ATOM 1219 CB ASP A 78 16.710 15.523 -16.744 1.00 32.31 C ATOM 1220 CG ASP A 78 16.753 15.068 -15.296 1.00 12.14 C ATOM 1221 OD1 ASP A 78 16.886 15.926 -14.399 1.00 10.32 O ATOM 1222 OD2 ASP A 78 16.687 13.844 -15.046 1.00 60.41 O ATOM 0 H ASP A 78 17.451 17.784 -16.075 1.00 32.34 H new ATOM 0 HA ASP A 78 18.851 15.439 -16.909 1.00 55.53 H new ATOM 0 HB2 ASP A 78 15.924 16.269 -16.866 1.00 32.31 H new ATOM 0 HB3 ASP A 78 16.449 14.678 -17.381 1.00 32.31 H new ATOM 1227 N LEU A 79 17.635 17.395 -19.236 1.00 14.03 N ATOM 1228 CA LEU A 79 17.728 17.715 -20.663 1.00 41.52 C ATOM 1229 C LEU A 79 19.180 17.583 -21.155 1.00 2.52 C ATOM 1230 O LEU A 79 19.446 16.988 -22.199 1.00 21.23 O ATOM 1231 CB LEU A 79 17.209 19.142 -20.907 1.00 22.22 C ATOM 1232 CG LEU A 79 17.334 19.666 -22.346 1.00 30.24 C ATOM 1233 CD1 LEU A 79 16.489 18.833 -23.300 1.00 2.12 C ATOM 1234 CD2 LEU A 79 16.939 21.139 -22.422 1.00 73.23 C ATOM 0 H LEU A 79 17.202 18.126 -18.673 1.00 14.03 H new ATOM 0 HA LEU A 79 17.114 17.010 -21.223 1.00 41.52 H new ATOM 0 HB2 LEU A 79 16.159 19.180 -20.617 1.00 22.22 H new ATOM 0 HB3 LEU A 79 17.747 19.821 -20.246 1.00 22.22 H new ATOM 0 HG LEU A 79 18.377 19.577 -22.649 1.00 30.24 H new ATOM 0 HD11 LEU A 79 16.593 19.222 -24.313 1.00 2.12 H new ATOM 0 HD12 LEU A 79 16.825 17.796 -23.273 1.00 2.12 H new ATOM 0 HD13 LEU A 79 15.443 18.883 -22.998 1.00 2.12 H new ATOM 0 HD21 LEU A 79 17.035 21.489 -23.450 1.00 73.23 H new ATOM 0 HD22 LEU A 79 15.906 21.256 -22.094 1.00 73.23 H new ATOM 0 HD23 LEU A 79 17.593 21.725 -21.777 1.00 73.23 H new ATOM 1246 N SER A 80 20.117 18.134 -20.384 1.00 70.10 N ATOM 1247 CA SER A 80 21.548 18.036 -20.709 1.00 75.23 C ATOM 1248 C SER A 80 22.051 16.587 -20.596 1.00 11.32 C ATOM 1249 O SER A 80 22.836 16.128 -21.425 1.00 53.40 O ATOM 1250 CB SER A 80 22.374 18.945 -19.787 1.00 13.13 C ATOM 1251 OG SER A 80 23.752 18.917 -20.130 1.00 23.21 O ATOM 0 H SER A 80 19.916 18.653 -19.530 1.00 70.10 H new ATOM 0 HA SER A 80 21.673 18.363 -21.741 1.00 75.23 H new ATOM 0 HB2 SER A 80 22.002 19.967 -19.853 1.00 13.13 H new ATOM 0 HB3 SER A 80 22.249 18.626 -18.752 1.00 13.13 H new ATOM 0 HG SER A 80 24.251 19.506 -19.527 1.00 23.21 H new ATOM 1257 N GLU A 81 21.578 15.869 -19.572 1.00 73.22 N ATOM 1258 CA GLU A 81 21.956 14.461 -19.354 1.00 13.11 C ATOM 1259 C GLU A 81 21.639 13.596 -20.584 1.00 12.43 C ATOM 1260 O GLU A 81 22.497 12.869 -21.089 1.00 72.10 O ATOM 1261 CB GLU A 81 21.203 13.893 -18.136 1.00 2.44 C ATOM 1262 CG GLU A 81 21.512 14.594 -16.819 1.00 13.22 C ATOM 1263 CD GLU A 81 22.939 14.371 -16.352 1.00 51.00 C ATOM 1264 OE1 GLU A 81 23.214 13.302 -15.769 1.00 42.34 O ATOM 1265 OE2 GLU A 81 23.786 15.261 -16.557 1.00 2.41 O ATOM 0 H GLU A 81 20.930 16.238 -18.876 1.00 73.22 H new ATOM 0 HA GLU A 81 23.031 14.434 -19.176 1.00 13.11 H new ATOM 0 HB2 GLU A 81 20.131 13.958 -18.325 1.00 2.44 H new ATOM 0 HB3 GLU A 81 21.446 12.835 -18.036 1.00 2.44 H new ATOM 0 HG2 GLU A 81 21.335 15.664 -16.932 1.00 13.22 H new ATOM 0 HG3 GLU A 81 20.824 14.236 -16.053 1.00 13.22 H new ATOM 1272 N LEU A 82 20.395 13.686 -21.052 1.00 53.25 N ATOM 1273 CA LEU A 82 19.925 12.886 -22.190 1.00 44.12 C ATOM 1274 C LEU A 82 20.642 13.268 -23.499 1.00 62.32 C ATOM 1275 O LEU A 82 21.000 12.394 -24.294 1.00 62.23 O ATOM 1276 CB LEU A 82 18.405 13.046 -22.342 1.00 3.35 C ATOM 1277 CG LEU A 82 17.581 12.602 -21.120 1.00 51.31 C ATOM 1278 CD1 LEU A 82 16.109 12.938 -21.306 1.00 21.21 C ATOM 1279 CD2 LEU A 82 17.764 11.110 -20.861 1.00 62.24 C ATOM 0 H LEU A 82 19.688 14.308 -20.660 1.00 53.25 H new ATOM 0 HA LEU A 82 20.163 11.842 -21.988 1.00 44.12 H new ATOM 0 HB2 LEU A 82 18.184 14.093 -22.550 1.00 3.35 H new ATOM 0 HB3 LEU A 82 18.079 12.472 -23.210 1.00 3.35 H new ATOM 0 HG LEU A 82 17.945 13.149 -20.250 1.00 51.31 H new ATOM 0 HD11 LEU A 82 15.548 12.614 -20.429 1.00 21.21 H new ATOM 0 HD12 LEU A 82 15.995 14.015 -21.433 1.00 21.21 H new ATOM 0 HD13 LEU A 82 15.728 12.426 -22.190 1.00 21.21 H new ATOM 0 HD21 LEU A 82 17.173 10.816 -19.993 1.00 62.24 H new ATOM 0 HD22 LEU A 82 17.433 10.546 -21.733 1.00 62.24 H new ATOM 0 HD23 LEU A 82 18.817 10.900 -20.671 1.00 62.24 H new ATOM 1291 N GLN A 83 20.856 14.569 -23.719 1.00 43.42 N ATOM 1292 CA GLN A 83 21.582 15.038 -24.910 1.00 24.33 C ATOM 1293 C GLN A 83 23.039 14.542 -24.907 1.00 43.24 C ATOM 1294 O GLN A 83 23.558 14.089 -25.931 1.00 70.10 O ATOM 1295 CB GLN A 83 21.542 16.573 -25.009 1.00 0.53 C ATOM 1296 CG GLN A 83 20.143 17.140 -25.229 1.00 45.02 C ATOM 1297 CD GLN A 83 20.147 18.638 -25.483 1.00 10.02 C ATOM 1298 OE1 GLN A 83 20.233 19.087 -26.623 1.00 14.24 O ATOM 1299 NE2 GLN A 83 20.061 19.425 -24.429 1.00 64.21 N ATOM 0 H GLN A 83 20.541 15.313 -23.096 1.00 43.42 H new ATOM 0 HA GLN A 83 21.082 14.621 -25.784 1.00 24.33 H new ATOM 0 HB2 GLN A 83 21.956 16.998 -24.095 1.00 0.53 H new ATOM 0 HB3 GLN A 83 22.186 16.892 -25.829 1.00 0.53 H new ATOM 0 HG2 GLN A 83 19.680 16.634 -26.076 1.00 45.02 H new ATOM 0 HG3 GLN A 83 19.528 16.926 -24.355 1.00 45.02 H new ATOM 0 HE21 GLN A 83 19.991 19.021 -23.495 1.00 64.21 H new ATOM 0 HE22 GLN A 83 20.065 20.438 -24.547 1.00 64.21 H new ATOM 1308 N ASP A 84 23.691 14.630 -23.752 1.00 74.42 N ATOM 1309 CA ASP A 84 25.052 14.113 -23.584 1.00 63.12 C ATOM 1310 C ASP A 84 25.082 12.576 -23.728 1.00 20.33 C ATOM 1311 O ASP A 84 26.044 12.002 -24.245 1.00 74.24 O ATOM 1312 CB ASP A 84 25.594 14.541 -22.213 1.00 62.32 C ATOM 1313 CG ASP A 84 26.992 14.020 -21.945 1.00 72.14 C ATOM 1314 OD1 ASP A 84 27.960 14.578 -22.504 1.00 52.35 O ATOM 1315 OD2 ASP A 84 27.134 13.052 -21.166 1.00 32.33 O ATOM 0 H ASP A 84 23.299 15.056 -22.912 1.00 74.42 H new ATOM 0 HA ASP A 84 25.687 14.528 -24.366 1.00 63.12 H new ATOM 0 HB2 ASP A 84 25.599 15.629 -22.153 1.00 62.32 H new ATOM 0 HB3 ASP A 84 24.922 14.182 -21.434 1.00 62.32 H new ATOM 1320 N ALA A 85 24.006 11.923 -23.285 1.00 31.03 N ATOM 1321 CA ALA A 85 23.893 10.462 -23.345 1.00 11.41 C ATOM 1322 C ALA A 85 23.833 9.941 -24.791 1.00 21.23 C ATOM 1323 O ALA A 85 24.575 9.031 -25.162 1.00 24.31 O ATOM 1324 CB ALA A 85 22.668 10.003 -22.564 1.00 55.34 C ATOM 0 H ALA A 85 23.194 12.386 -22.877 1.00 31.03 H new ATOM 0 HA ALA A 85 24.792 10.044 -22.891 1.00 11.41 H new ATOM 0 HB1 ALA A 85 22.591 8.917 -22.613 1.00 55.34 H new ATOM 0 HB2 ALA A 85 22.763 10.313 -21.523 1.00 55.34 H new ATOM 0 HB3 ALA A 85 21.773 10.450 -22.996 1.00 55.34 H new ATOM 1330 N LYS A 86 22.949 10.517 -25.606 1.00 25.32 N ATOM 1331 CA LYS A 86 22.841 10.121 -27.017 1.00 3.33 C ATOM 1332 C LYS A 86 24.112 10.499 -27.798 1.00 32.22 C ATOM 1333 O LYS A 86 24.476 9.838 -28.773 1.00 14.03 O ATOM 1334 CB LYS A 86 21.598 10.748 -27.674 1.00 2.20 C ATOM 1335 CG LYS A 86 21.594 12.276 -27.692 1.00 14.03 C ATOM 1336 CD LYS A 86 20.356 12.835 -28.392 1.00 51.34 C ATOM 1337 CE LYS A 86 20.287 12.416 -29.856 1.00 3.32 C ATOM 1338 NZ LYS A 86 19.109 13.000 -30.548 1.00 33.31 N ATOM 0 H LYS A 86 22.302 11.252 -25.321 1.00 25.32 H new ATOM 0 HA LYS A 86 22.733 9.037 -27.047 1.00 3.33 H new ATOM 0 HB2 LYS A 86 21.522 10.385 -28.699 1.00 2.20 H new ATOM 0 HB3 LYS A 86 20.710 10.401 -27.146 1.00 2.20 H new ATOM 0 HG2 LYS A 86 21.633 12.651 -26.669 1.00 14.03 H new ATOM 0 HG3 LYS A 86 22.490 12.635 -28.198 1.00 14.03 H new ATOM 0 HD2 LYS A 86 19.461 12.491 -27.874 1.00 51.34 H new ATOM 0 HD3 LYS A 86 20.363 13.923 -28.327 1.00 51.34 H new ATOM 0 HE2 LYS A 86 21.198 12.729 -30.366 1.00 3.32 H new ATOM 0 HE3 LYS A 86 20.243 11.329 -29.920 1.00 3.32 H new ATOM 0 HZ1 LYS A 86 19.100 12.690 -31.541 1.00 33.31 H new ATOM 0 HZ2 LYS A 86 18.237 12.682 -30.078 1.00 33.31 H new ATOM 0 HZ3 LYS A 86 19.163 14.038 -30.510 1.00 33.31 H new ATOM 1352 N LEU A 87 24.777 11.573 -27.369 1.00 64.41 N ATOM 1353 CA LEU A 87 26.024 12.017 -28.001 1.00 70.13 C ATOM 1354 C LEU A 87 27.156 10.993 -27.795 1.00 33.10 C ATOM 1355 O LEU A 87 27.762 10.522 -28.762 1.00 61.34 O ATOM 1356 CB LEU A 87 26.442 13.388 -27.446 1.00 73.22 C ATOM 1357 CG LEU A 87 27.700 13.999 -28.084 1.00 43.00 C ATOM 1358 CD1 LEU A 87 27.486 14.252 -29.575 1.00 45.41 C ATOM 1359 CD2 LEU A 87 28.090 15.291 -27.373 1.00 63.44 C ATOM 0 H LEU A 87 24.474 12.153 -26.586 1.00 64.41 H new ATOM 0 HA LEU A 87 25.843 12.104 -29.072 1.00 70.13 H new ATOM 0 HB2 LEU A 87 25.613 14.083 -27.579 1.00 73.22 H new ATOM 0 HB3 LEU A 87 26.609 13.292 -26.373 1.00 73.22 H new ATOM 0 HG LEU A 87 28.516 13.285 -27.974 1.00 43.00 H new ATOM 0 HD11 LEU A 87 28.390 14.684 -30.004 1.00 45.41 H new ATOM 0 HD12 LEU A 87 27.262 13.310 -30.075 1.00 45.41 H new ATOM 0 HD13 LEU A 87 26.654 14.942 -29.711 1.00 45.41 H new ATOM 0 HD21 LEU A 87 28.983 15.708 -27.839 1.00 63.44 H new ATOM 0 HD22 LEU A 87 27.273 16.008 -27.448 1.00 63.44 H new ATOM 0 HD23 LEU A 87 28.294 15.081 -26.323 1.00 63.44 H new ATOM 1371 N LYS A 88 27.428 10.635 -26.533 1.00 31.31 N ATOM 1372 CA LYS A 88 28.478 9.652 -26.218 1.00 71.31 C ATOM 1373 C LYS A 88 28.211 8.306 -26.913 1.00 63.32 C ATOM 1374 O LYS A 88 29.145 7.574 -27.252 1.00 60.44 O ATOM 1375 CB LYS A 88 28.600 9.444 -24.699 1.00 3.24 C ATOM 1376 CG LYS A 88 27.379 8.787 -24.063 1.00 72.33 C ATOM 1377 CD LYS A 88 27.539 8.615 -22.554 1.00 30.13 C ATOM 1378 CE LYS A 88 26.348 7.882 -21.943 1.00 62.32 C ATOM 1379 NZ LYS A 88 26.214 6.496 -22.470 1.00 41.12 N ATOM 0 H LYS A 88 26.941 11.007 -25.718 1.00 31.31 H new ATOM 0 HA LYS A 88 29.420 10.052 -26.594 1.00 71.31 H new ATOM 0 HB2 LYS A 88 29.477 8.830 -24.496 1.00 3.24 H new ATOM 0 HB3 LYS A 88 28.770 10.410 -24.223 1.00 3.24 H new ATOM 0 HG2 LYS A 88 26.495 9.392 -24.267 1.00 72.33 H new ATOM 0 HG3 LYS A 88 27.212 7.813 -24.523 1.00 72.33 H new ATOM 0 HD2 LYS A 88 28.454 8.061 -22.345 1.00 30.13 H new ATOM 0 HD3 LYS A 88 27.645 9.593 -22.085 1.00 30.13 H new ATOM 0 HE2 LYS A 88 26.461 7.848 -20.859 1.00 62.32 H new ATOM 0 HE3 LYS A 88 25.434 8.439 -22.151 1.00 62.32 H new ATOM 0 HZ1 LYS A 88 25.493 5.985 -21.923 1.00 41.12 H new ATOM 0 HZ2 LYS A 88 25.930 6.531 -23.470 1.00 41.12 H new ATOM 0 HZ3 LYS A 88 27.126 6.003 -22.386 1.00 41.12 H new ATOM 1393 N ALA A 89 26.931 7.996 -27.128 1.00 55.11 N ATOM 1394 CA ALA A 89 26.528 6.784 -27.845 1.00 3.40 C ATOM 1395 C ALA A 89 27.112 6.754 -29.269 1.00 61.41 C ATOM 1396 O ALA A 89 27.648 5.738 -29.711 1.00 45.12 O ATOM 1397 CB ALA A 89 25.008 6.683 -27.881 1.00 12.31 C ATOM 0 H ALA A 89 26.150 8.572 -26.813 1.00 55.11 H new ATOM 0 HA ALA A 89 26.927 5.922 -27.311 1.00 3.40 H new ATOM 0 HB1 ALA A 89 24.716 5.779 -28.416 1.00 12.31 H new ATOM 0 HB2 ALA A 89 24.622 6.643 -26.863 1.00 12.31 H new ATOM 0 HB3 ALA A 89 24.597 7.555 -28.390 1.00 12.31 H new ATOM 1403 N GLU A 90 27.014 7.877 -29.981 1.00 24.45 N ATOM 1404 CA GLU A 90 27.619 7.995 -31.316 1.00 34.12 C ATOM 1405 C GLU A 90 29.129 8.256 -31.219 1.00 32.10 C ATOM 1406 O GLU A 90 29.875 8.023 -32.172 1.00 50.42 O ATOM 1407 CB GLU A 90 26.947 9.114 -32.125 1.00 41.32 C ATOM 1408 CG GLU A 90 25.472 8.861 -32.424 1.00 23.43 C ATOM 1409 CD GLU A 90 24.934 9.760 -33.524 1.00 73.15 C ATOM 1410 OE1 GLU A 90 25.142 9.432 -34.714 1.00 4.02 O ATOM 1411 OE2 GLU A 90 24.308 10.794 -33.212 1.00 61.13 O ATOM 0 H GLU A 90 26.526 8.714 -29.662 1.00 24.45 H new ATOM 0 HA GLU A 90 27.463 7.047 -31.831 1.00 34.12 H new ATOM 0 HB2 GLU A 90 27.041 10.052 -31.577 1.00 41.32 H new ATOM 0 HB3 GLU A 90 27.482 9.240 -33.066 1.00 41.32 H new ATOM 0 HG2 GLU A 90 25.338 7.819 -32.714 1.00 23.43 H new ATOM 0 HG3 GLU A 90 24.890 9.017 -31.516 1.00 23.43 H new ATOM 1418 N GLY A 91 29.568 8.747 -30.062 1.00 44.10 N ATOM 1419 CA GLY A 91 30.990 8.962 -29.817 1.00 63.32 C ATOM 1420 C GLY A 91 31.780 7.659 -29.729 1.00 54.33 C ATOM 1421 O GLY A 91 33.008 7.661 -29.832 1.00 4.44 O ATOM 0 H GLY A 91 28.961 9.002 -29.283 1.00 44.10 H new ATOM 0 HA2 GLY A 91 31.402 9.578 -30.616 1.00 63.32 H new ATOM 0 HA3 GLY A 91 31.114 9.520 -28.889 1.00 63.32 H new ATOM 1425 N LEU A 92 31.075 6.545 -29.520 1.00 24.55 N ATOM 1426 CA LEU A 92 31.707 5.221 -29.483 1.00 51.41 C ATOM 1427 C LEU A 92 32.449 4.923 -30.797 1.00 3.40 C ATOM 1428 O LEU A 92 33.651 4.647 -30.799 1.00 74.02 O ATOM 1429 CB LEU A 92 30.656 4.130 -29.223 1.00 62.11 C ATOM 1430 CG LEU A 92 29.862 4.268 -27.912 1.00 65.34 C ATOM 1431 CD1 LEU A 92 28.844 3.137 -27.779 1.00 53.55 C ATOM 1432 CD2 LEU A 92 30.801 4.295 -26.708 1.00 32.32 C ATOM 0 H LEU A 92 30.066 6.532 -29.374 1.00 24.55 H new ATOM 0 HA LEU A 92 32.432 5.223 -28.669 1.00 51.41 H new ATOM 0 HB2 LEU A 92 29.951 4.125 -30.054 1.00 62.11 H new ATOM 0 HB3 LEU A 92 31.156 3.162 -29.223 1.00 62.11 H new ATOM 0 HG LEU A 92 29.321 5.214 -27.939 1.00 65.34 H new ATOM 0 HD11 LEU A 92 28.292 3.252 -26.846 1.00 53.55 H new ATOM 0 HD12 LEU A 92 28.149 3.172 -28.618 1.00 53.55 H new ATOM 0 HD13 LEU A 92 29.363 2.179 -27.778 1.00 53.55 H new ATOM 0 HD21 LEU A 92 30.217 4.393 -25.793 1.00 32.32 H new ATOM 0 HD22 LEU A 92 31.376 3.369 -26.674 1.00 32.32 H new ATOM 0 HD23 LEU A 92 31.482 5.142 -26.796 1.00 32.32 H new