USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 89 THR OG1 : rot -170:sc= -0.29 USER MOD Set 1.2: A 124 ASN : amide:sc= 0.39 K(o=-0.98,f=-6.8!) USER MOD Set 1.3: A 126 ASN : amide:sc= -1.08 K(o=-0.98,f=-4.3!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc=-0.00145 X(o=-0.0015,f=-0.2) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 84:sc= 1.08 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.061 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 170:sc= 0.0152 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 156:sc= -0.192 (180deg=-0.787) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00838 USER MOD Single : A 109 THR OG1 : rot 39:sc= 0.177 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.0265 F(o=-0.93,f=-0.027) USER MOD Single : A 116 TYR OH : rot -156:sc= 0.316 USER MOD Single : A 119 SER OG : rot -132:sc= 0.498 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0.00992 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 106.586 -8.232 106.065 1.00 41.24 N ATOM 35 CA ALA A 3 105.281 -7.591 106.185 1.00 44.44 C ATOM 36 C ALA A 3 104.914 -6.964 104.850 1.00 50.41 C ATOM 37 O ALA A 3 105.376 -5.873 104.507 1.00 32.03 O ATOM 38 CB ALA A 3 105.257 -6.560 107.304 1.00 74.34 C ATOM 0 HA ALA A 3 104.541 -8.347 106.447 1.00 44.44 H new ATOM 0 HB1 ALA A 3 104.267 -6.106 107.360 1.00 74.34 H new ATOM 0 HB2 ALA A 3 105.487 -7.046 108.252 1.00 74.34 H new ATOM 0 HB3 ALA A 3 105.999 -5.788 107.103 1.00 74.34 H new ATOM 44 N ARG A 4 104.092 -7.680 104.089 1.00 51.33 N ATOM 45 CA ARG A 4 103.787 -7.316 102.701 1.00 41.33 C ATOM 46 C ARG A 4 102.443 -6.595 102.570 1.00 52.21 C ATOM 47 O ARG A 4 101.925 -6.431 101.462 1.00 13.24 O ATOM 48 CB ARG A 4 103.823 -8.575 101.818 1.00 70.25 C ATOM 49 CG ARG A 4 105.228 -9.130 101.614 1.00 11.24 C ATOM 50 CD ARG A 4 106.060 -8.202 100.740 1.00 52.42 C ATOM 51 NE ARG A 4 107.495 -8.503 100.793 1.00 0.12 N ATOM 52 CZ ARG A 4 108.406 -8.023 99.931 1.00 71.05 C ATOM 53 NH1 ARG A 4 108.044 -7.283 98.889 1.00 65.41 N ATOM 54 NH2 ARG A 4 109.689 -8.297 100.116 1.00 32.31 N ATOM 0 H ARG A 4 103.619 -8.525 104.410 1.00 51.33 H new ATOM 0 HA ARG A 4 104.549 -6.614 102.363 1.00 41.33 H new ATOM 0 HB2 ARG A 4 103.198 -9.345 102.270 1.00 70.25 H new ATOM 0 HB3 ARG A 4 103.388 -8.341 100.846 1.00 70.25 H new ATOM 0 HG2 ARG A 4 105.716 -9.259 102.580 1.00 11.24 H new ATOM 0 HG3 ARG A 4 105.170 -10.115 101.152 1.00 11.24 H new ATOM 0 HD2 ARG A 4 105.716 -8.277 99.708 1.00 52.42 H new ATOM 0 HD3 ARG A 4 105.898 -7.171 101.056 1.00 52.42 H new ATOM 0 HE ARG A 4 107.823 -9.120 101.536 1.00 0.12 H new ATOM 0 HH11 ARG A 4 107.059 -7.070 98.732 1.00 65.41 H new ATOM 0 HH12 ARG A 4 108.751 -6.928 98.246 1.00 65.41 H new ATOM 0 HH21 ARG A 4 109.979 -8.869 100.909 1.00 32.31 H new ATOM 0 HH22 ARG A 4 110.387 -7.936 99.465 1.00 32.31 H new ATOM 68 N ASP A 5 101.906 -6.138 103.696 1.00 42.54 N ATOM 69 CA ASP A 5 100.645 -5.394 103.720 1.00 3.31 C ATOM 70 C ASP A 5 100.883 -3.947 103.323 1.00 72.42 C ATOM 71 O ASP A 5 101.713 -3.257 103.925 1.00 73.15 O ATOM 72 CB ASP A 5 100.008 -5.439 105.109 1.00 55.34 C ATOM 73 CG ASP A 5 99.578 -6.828 105.503 1.00 31.15 C ATOM 74 OD1 ASP A 5 100.415 -7.587 106.030 1.00 44.22 O ATOM 75 OD2 ASP A 5 98.400 -7.170 105.295 1.00 25.32 O ATOM 0 H ASP A 5 102.328 -6.270 104.615 1.00 42.54 H new ATOM 0 HA ASP A 5 99.966 -5.863 103.008 1.00 3.31 H new ATOM 0 HB2 ASP A 5 100.719 -5.060 105.843 1.00 55.34 H new ATOM 0 HB3 ASP A 5 99.144 -4.775 105.130 1.00 55.34 H new ATOM 80 N ASN A 6 100.149 -3.496 102.312 1.00 40.31 N ATOM 81 CA ASN A 6 100.346 -2.159 101.750 1.00 74.21 C ATOM 82 C ASN A 6 99.307 -1.196 102.291 1.00 73.44 C ATOM 83 O ASN A 6 98.136 -1.554 102.448 1.00 14.43 O ATOM 84 CB ASN A 6 100.273 -2.182 100.215 1.00 13.21 C ATOM 85 CG ASN A 6 101.312 -3.089 99.593 1.00 63.24 C ATOM 86 OD1 ASN A 6 102.448 -2.686 99.372 1.00 24.13 O ATOM 87 ND2 ASN A 6 100.928 -4.314 99.295 1.00 0.03 N ATOM 0 H ASN A 6 99.410 -4.036 101.862 1.00 40.31 H new ATOM 0 HA ASN A 6 101.340 -1.823 102.046 1.00 74.21 H new ATOM 0 HB2 ASN A 6 99.280 -2.510 99.908 1.00 13.21 H new ATOM 0 HB3 ASN A 6 100.406 -1.169 99.834 1.00 13.21 H new ATOM 0 HD21 ASN A 6 101.586 -4.964 98.865 1.00 0.03 H new ATOM 0 HD22 ASN A 6 99.973 -4.612 99.495 1.00 0.03 H new ATOM 94 N LYS A 7 99.745 0.024 102.589 1.00 2.23 N ATOM 95 CA LYS A 7 98.848 1.062 103.079 1.00 21.45 C ATOM 96 C LYS A 7 98.408 1.965 101.928 1.00 40.32 C ATOM 97 O LYS A 7 99.083 2.940 101.577 1.00 53.01 O ATOM 98 CB LYS A 7 99.517 1.878 104.203 1.00 24.12 C ATOM 99 CG LYS A 7 99.860 1.085 105.476 1.00 30.32 C ATOM 100 CD LYS A 7 98.620 0.651 106.263 1.00 12.31 C ATOM 101 CE LYS A 7 98.115 -0.723 105.843 1.00 75.54 C ATOM 102 NZ LYS A 7 96.806 -1.045 106.463 1.00 51.32 N ATOM 0 H LYS A 7 100.718 0.317 102.499 1.00 2.23 H new ATOM 0 HA LYS A 7 97.961 0.587 103.499 1.00 21.45 H new ATOM 0 HB2 LYS A 7 100.433 2.320 103.812 1.00 24.12 H new ATOM 0 HB3 LYS A 7 98.856 2.701 104.475 1.00 24.12 H new ATOM 0 HG2 LYS A 7 100.438 0.202 105.203 1.00 30.32 H new ATOM 0 HG3 LYS A 7 100.495 1.695 106.118 1.00 30.32 H new ATOM 0 HD2 LYS A 7 98.855 0.639 107.327 1.00 12.31 H new ATOM 0 HD3 LYS A 7 97.827 1.385 106.120 1.00 12.31 H new ATOM 0 HE2 LYS A 7 98.021 -0.759 104.758 1.00 75.54 H new ATOM 0 HE3 LYS A 7 98.846 -1.480 106.125 1.00 75.54 H new ATOM 0 HZ1 LYS A 7 96.497 -1.988 106.152 1.00 51.32 H new ATOM 0 HZ2 LYS A 7 96.901 -1.036 107.499 1.00 51.32 H new ATOM 0 HZ3 LYS A 7 96.101 -0.337 106.174 1.00 51.32 H new ATOM 116 N PHE A 8 97.280 1.603 101.328 1.00 23.41 N ATOM 117 CA PHE A 8 96.724 2.343 100.206 1.00 40.35 C ATOM 118 C PHE A 8 95.279 2.729 100.494 1.00 64.32 C ATOM 119 O PHE A 8 94.569 2.007 101.203 1.00 41.42 O ATOM 120 CB PHE A 8 96.830 1.520 98.896 1.00 51.13 C ATOM 121 CG PHE A 8 96.112 0.184 98.897 1.00 35.14 C ATOM 122 CD1 PHE A 8 96.732 -0.955 99.387 1.00 21.34 C ATOM 123 CD2 PHE A 8 94.820 0.072 98.405 1.00 54.21 C ATOM 124 CE1 PHE A 8 96.080 -2.171 99.391 1.00 15.52 C ATOM 125 CE2 PHE A 8 94.164 -1.140 98.407 1.00 62.34 C ATOM 126 CZ PHE A 8 94.794 -2.264 98.900 1.00 52.01 C ATOM 0 H PHE A 8 96.728 0.791 101.606 1.00 23.41 H new ATOM 0 HA PHE A 8 97.303 3.257 100.072 1.00 40.35 H new ATOM 0 HB2 PHE A 8 96.436 2.122 98.078 1.00 51.13 H new ATOM 0 HB3 PHE A 8 97.885 1.344 98.684 1.00 51.13 H new ATOM 0 HD1 PHE A 8 97.739 -0.890 99.771 1.00 21.34 H new ATOM 0 HD2 PHE A 8 94.321 0.947 98.015 1.00 54.21 H new ATOM 0 HE1 PHE A 8 96.576 -3.049 99.778 1.00 15.52 H new ATOM 0 HE2 PHE A 8 93.157 -1.210 98.023 1.00 62.34 H new ATOM 0 HZ PHE A 8 94.282 -3.215 98.902 1.00 52.01 H new ATOM 136 N ASN A 9 94.859 3.867 99.945 1.00 13.43 N ATOM 137 CA ASN A 9 93.482 4.345 100.086 1.00 71.23 C ATOM 138 C ASN A 9 93.185 5.401 99.020 1.00 63.11 C ATOM 139 O ASN A 9 93.736 6.509 99.068 1.00 34.34 O ATOM 140 CB ASN A 9 93.239 4.935 101.496 1.00 21.24 C ATOM 141 CG ASN A 9 91.781 5.267 101.769 1.00 24.20 C ATOM 142 OD1 ASN A 9 91.026 4.429 102.254 1.00 44.53 O ATOM 143 ND2 ASN A 9 91.386 6.496 101.478 1.00 74.21 N ATOM 0 H ASN A 9 95.458 4.481 99.393 1.00 13.43 H new ATOM 0 HA ASN A 9 92.811 3.496 99.952 1.00 71.23 H new ATOM 0 HB2 ASN A 9 93.588 4.224 102.244 1.00 21.24 H new ATOM 0 HB3 ASN A 9 93.837 5.839 101.612 1.00 21.24 H new ATOM 0 HD21 ASN A 9 90.422 6.777 101.656 1.00 74.21 H new ATOM 0 HD22 ASN A 9 92.046 7.162 101.076 1.00 74.21 H new ATOM 150 N THR A 10 92.338 5.048 98.056 1.00 23.55 N ATOM 151 CA THR A 10 91.899 5.992 97.041 1.00 65.24 C ATOM 152 C THR A 10 90.441 5.719 96.630 1.00 74.34 C ATOM 153 O THR A 10 90.095 4.647 96.110 1.00 15.35 O ATOM 154 CB THR A 10 92.871 6.026 95.818 1.00 2.04 C ATOM 155 OG1 THR A 10 92.386 6.937 94.826 1.00 31.24 O ATOM 156 CG2 THR A 10 93.097 4.653 95.184 1.00 53.20 C ATOM 0 H THR A 10 91.943 4.112 97.960 1.00 23.55 H new ATOM 0 HA THR A 10 91.928 6.990 97.477 1.00 65.24 H new ATOM 0 HB THR A 10 93.834 6.362 96.203 1.00 2.04 H new ATOM 0 HG1 THR A 10 93.004 6.951 94.065 1.00 31.24 H new ATOM 0 HG21 THR A 10 93.781 4.750 94.341 1.00 53.20 H new ATOM 0 HG22 THR A 10 93.525 3.977 95.924 1.00 53.20 H new ATOM 0 HG23 THR A 10 92.145 4.253 94.834 1.00 53.20 H new ATOM 164 N TRP A 11 89.577 6.682 96.942 1.00 74.44 N ATOM 165 CA TRP A 11 88.143 6.567 96.681 1.00 33.31 C ATOM 166 C TRP A 11 87.641 7.830 95.992 1.00 3.41 C ATOM 167 O TRP A 11 87.760 8.932 96.540 1.00 70.34 O ATOM 168 CB TRP A 11 87.364 6.360 97.990 1.00 60.12 C ATOM 169 CG TRP A 11 87.764 5.139 98.756 1.00 23.24 C ATOM 170 CD1 TRP A 11 88.432 5.097 99.945 1.00 73.44 C ATOM 171 CD2 TRP A 11 87.548 3.780 98.367 1.00 40.31 C ATOM 172 NE1 TRP A 11 88.631 3.794 100.326 1.00 12.14 N ATOM 173 CE2 TRP A 11 88.100 2.967 99.372 1.00 62.23 C ATOM 174 CE3 TRP A 11 86.938 3.174 97.268 1.00 2.24 C ATOM 175 CZ2 TRP A 11 88.060 1.578 99.307 1.00 74.23 C ATOM 176 CZ3 TRP A 11 86.901 1.800 97.203 1.00 20.43 C ATOM 177 CH2 TRP A 11 87.459 1.014 98.215 1.00 1.23 C ATOM 0 H TRP A 11 89.849 7.561 97.381 1.00 74.44 H new ATOM 0 HA TRP A 11 87.981 5.704 96.035 1.00 33.31 H new ATOM 0 HB2 TRP A 11 87.503 7.235 98.625 1.00 60.12 H new ATOM 0 HB3 TRP A 11 86.300 6.299 97.761 1.00 60.12 H new ATOM 0 HD1 TRP A 11 88.756 5.962 100.504 1.00 73.44 H new ATOM 0 HE1 TRP A 11 89.098 3.491 101.180 1.00 12.14 H new ATOM 0 HE3 TRP A 11 86.502 3.773 96.482 1.00 2.24 H new ATOM 0 HZ2 TRP A 11 88.487 0.968 100.089 1.00 74.23 H new ATOM 0 HZ3 TRP A 11 86.433 1.321 96.356 1.00 20.43 H new ATOM 0 HH2 TRP A 11 87.415 -0.062 98.133 1.00 1.23 H new ATOM 188 N ASN A 12 87.109 7.680 94.780 1.00 21.42 N ATOM 189 CA ASN A 12 86.597 8.821 94.010 1.00 72.25 C ATOM 190 C ASN A 12 85.209 8.519 93.463 1.00 4.11 C ATOM 191 O ASN A 12 84.942 7.402 93.012 1.00 71.33 O ATOM 192 CB ASN A 12 87.530 9.173 92.833 1.00 62.55 C ATOM 193 CG ASN A 12 88.935 9.569 93.254 1.00 22.10 C ATOM 194 OD1 ASN A 12 89.820 8.722 93.373 1.00 34.22 O ATOM 195 ND2 ASN A 12 89.154 10.855 93.458 1.00 52.20 N ATOM 0 H ASN A 12 87.020 6.781 94.307 1.00 21.42 H new ATOM 0 HA ASN A 12 86.550 9.671 94.691 1.00 72.25 H new ATOM 0 HB2 ASN A 12 87.591 8.316 92.162 1.00 62.55 H new ATOM 0 HB3 ASN A 12 87.088 9.991 92.265 1.00 62.55 H new ATOM 0 HD21 ASN A 12 90.084 11.178 93.725 1.00 52.20 H new ATOM 0 HD22 ASN A 12 88.393 11.525 93.349 1.00 52.20 H new ATOM 202 N ASP A 13 84.328 9.519 93.495 1.00 75.43 N ATOM 203 CA ASP A 13 82.968 9.381 92.972 1.00 14.10 C ATOM 204 C ASP A 13 82.495 10.718 92.398 1.00 10.32 C ATOM 205 O ASP A 13 82.598 11.758 93.056 1.00 53.43 O ATOM 206 CB ASP A 13 82.004 8.907 94.079 1.00 24.23 C ATOM 207 CG ASP A 13 80.646 8.469 93.543 1.00 2.43 C ATOM 208 OD1 ASP A 13 79.750 9.320 93.409 1.00 64.32 O ATOM 209 OD2 ASP A 13 80.470 7.265 93.270 1.00 35.43 O ATOM 0 H ASP A 13 84.534 10.440 93.881 1.00 75.43 H new ATOM 0 HA ASP A 13 82.974 8.633 92.180 1.00 14.10 H new ATOM 0 HB2 ASP A 13 82.460 8.077 94.618 1.00 24.23 H new ATOM 0 HB3 ASP A 13 81.861 9.714 94.798 1.00 24.23 H new ATOM 214 N SER A 14 81.992 10.687 91.173 1.00 51.33 N ATOM 215 CA SER A 14 81.476 11.877 90.520 1.00 70.02 C ATOM 216 C SER A 14 80.209 11.531 89.757 1.00 30.13 C ATOM 217 O SER A 14 80.236 10.712 88.834 1.00 34.15 O ATOM 218 CB SER A 14 82.520 12.466 89.564 1.00 43.13 C ATOM 219 OG SER A 14 82.119 13.729 89.061 1.00 35.02 O ATOM 0 H SER A 14 81.931 9.840 90.608 1.00 51.33 H new ATOM 0 HA SER A 14 81.249 12.623 91.281 1.00 70.02 H new ATOM 0 HB2 SER A 14 83.473 12.567 90.084 1.00 43.13 H new ATOM 0 HB3 SER A 14 82.682 11.779 88.734 1.00 43.13 H new ATOM 0 HG SER A 14 82.809 14.075 88.457 1.00 35.02 H new ATOM 225 N ARG A 15 79.104 12.149 90.151 1.00 52.13 N ATOM 226 CA ARG A 15 77.837 11.936 89.477 1.00 31.24 C ATOM 227 C ARG A 15 77.042 13.239 89.400 1.00 20.14 C ATOM 228 O ARG A 15 76.638 13.792 90.421 1.00 13.54 O ATOM 229 CB ARG A 15 77.026 10.828 90.188 1.00 35.04 C ATOM 230 CG ARG A 15 75.674 10.514 89.543 1.00 31.31 C ATOM 231 CD ARG A 15 75.814 10.059 88.098 1.00 62.24 C ATOM 232 NE ARG A 15 74.519 9.988 87.425 1.00 74.32 N ATOM 233 CZ ARG A 15 74.345 10.034 86.099 1.00 62.10 C ATOM 234 NH1 ARG A 15 75.381 10.111 85.270 1.00 2.22 N ATOM 235 NH2 ARG A 15 73.126 9.998 85.607 1.00 61.42 N ATOM 0 H ARG A 15 79.062 12.801 90.934 1.00 52.13 H new ATOM 0 HA ARG A 15 78.037 11.606 88.458 1.00 31.24 H new ATOM 0 HB2 ARG A 15 77.623 9.917 90.210 1.00 35.04 H new ATOM 0 HB3 ARG A 15 76.859 11.126 91.223 1.00 35.04 H new ATOM 0 HG2 ARG A 15 75.171 9.737 90.119 1.00 31.31 H new ATOM 0 HG3 ARG A 15 75.041 11.400 89.583 1.00 31.31 H new ATOM 0 HD2 ARG A 15 76.466 10.748 87.561 1.00 62.24 H new ATOM 0 HD3 ARG A 15 76.293 9.080 88.070 1.00 62.24 H new ATOM 0 HE ARG A 15 73.687 9.897 88.008 1.00 74.32 H new ATOM 0 HH11 ARG A 15 76.331 10.136 85.641 1.00 2.22 H new ATOM 0 HH12 ARG A 15 75.226 10.145 84.262 1.00 2.22 H new ATOM 0 HH21 ARG A 15 72.324 9.936 86.235 1.00 61.42 H new ATOM 0 HH22 ARG A 15 72.982 10.033 84.598 1.00 61.42 H new ATOM 249 N GLY A 16 76.830 13.716 88.184 1.00 12.50 N ATOM 250 CA GLY A 16 76.075 14.935 87.976 1.00 51.23 C ATOM 251 C GLY A 16 75.674 15.115 86.534 1.00 20.32 C ATOM 252 O GLY A 16 76.419 15.697 85.743 1.00 1.20 O ATOM 0 H GLY A 16 77.171 13.276 87.329 1.00 12.50 H new ATOM 0 HA2 GLY A 16 75.182 14.919 88.601 1.00 51.23 H new ATOM 0 HA3 GLY A 16 76.672 15.789 88.295 1.00 51.23 H new ATOM 256 N ASN A 17 74.505 14.597 86.191 1.00 14.30 N ATOM 257 CA ASN A 17 73.942 14.785 84.861 1.00 32.01 C ATOM 258 C ASN A 17 72.469 15.135 84.987 1.00 34.41 C ATOM 259 O ASN A 17 71.638 14.286 85.317 1.00 23.35 O ATOM 260 CB ASN A 17 74.151 13.536 83.989 1.00 34.43 C ATOM 261 CG ASN A 17 73.591 13.690 82.583 1.00 25.53 C ATOM 262 OD1 ASN A 17 72.472 13.276 82.301 1.00 35.43 O ATOM 263 ND2 ASN A 17 74.356 14.307 81.697 1.00 24.15 N ATOM 0 H ASN A 17 73.924 14.040 86.818 1.00 14.30 H new ATOM 0 HA ASN A 17 74.459 15.607 84.365 1.00 32.01 H new ATOM 0 HB2 ASN A 17 75.217 13.317 83.927 1.00 34.43 H new ATOM 0 HB3 ASN A 17 73.678 12.680 84.471 1.00 34.43 H new ATOM 0 HD21 ASN A 17 74.019 14.451 80.745 1.00 24.15 H new ATOM 0 HD22 ASN A 17 75.282 14.639 81.966 1.00 24.15 H new ATOM 270 N TYR A 18 72.171 16.408 84.774 1.00 30.13 N ATOM 271 CA TYR A 18 70.821 16.932 84.925 1.00 33.44 C ATOM 272 C TYR A 18 70.397 17.595 83.628 1.00 54.32 C ATOM 273 O TYR A 18 71.146 18.394 83.060 1.00 22.02 O ATOM 274 CB TYR A 18 70.752 17.935 86.087 1.00 43.12 C ATOM 275 CG TYR A 18 71.309 17.400 87.394 1.00 63.24 C ATOM 276 CD1 TYR A 18 70.632 16.424 88.115 1.00 54.30 C ATOM 277 CD2 TYR A 18 72.520 17.861 87.893 1.00 21.42 C ATOM 278 CE1 TYR A 18 71.141 15.930 89.301 1.00 41.14 C ATOM 279 CE2 TYR A 18 73.040 17.369 89.075 1.00 34.45 C ATOM 280 CZ TYR A 18 72.347 16.403 89.776 1.00 61.24 C ATOM 281 OH TYR A 18 72.861 15.900 90.949 1.00 5.44 O ATOM 0 H TYR A 18 72.858 17.107 84.492 1.00 30.13 H new ATOM 0 HA TYR A 18 70.142 16.110 85.153 1.00 33.44 H new ATOM 0 HB2 TYR A 18 71.301 18.835 85.810 1.00 43.12 H new ATOM 0 HB3 TYR A 18 69.714 18.229 86.239 1.00 43.12 H new ATOM 0 HD1 TYR A 18 69.692 16.045 87.742 1.00 54.30 H new ATOM 0 HD2 TYR A 18 73.065 18.617 87.348 1.00 21.42 H new ATOM 0 HE1 TYR A 18 70.598 15.178 89.853 1.00 41.14 H new ATOM 0 HE2 TYR A 18 73.984 17.738 89.448 1.00 34.45 H new ATOM 0 HH TYR A 18 73.716 16.336 91.145 1.00 5.44 H new ATOM 291 N TRP A 19 69.209 17.246 83.156 1.00 10.14 N ATOM 292 CA TRP A 19 68.737 17.687 81.849 1.00 5.10 C ATOM 293 C TRP A 19 67.233 17.959 81.871 1.00 33.50 C ATOM 294 O TRP A 19 66.487 17.295 82.599 1.00 65.10 O ATOM 295 CB TRP A 19 69.102 16.650 80.761 1.00 61.42 C ATOM 296 CG TRP A 19 68.686 15.229 81.056 1.00 31.01 C ATOM 297 CD1 TRP A 19 69.332 14.336 81.867 1.00 55.54 C ATOM 298 CD2 TRP A 19 67.550 14.534 80.529 1.00 44.15 C ATOM 299 NE1 TRP A 19 68.660 13.145 81.888 1.00 1.43 N ATOM 300 CE2 TRP A 19 67.570 13.235 81.068 1.00 13.55 C ATOM 301 CE3 TRP A 19 66.523 14.881 79.648 1.00 23.53 C ATOM 302 CZ2 TRP A 19 66.594 12.290 80.769 1.00 72.22 C ATOM 303 CZ3 TRP A 19 65.557 13.940 79.349 1.00 33.34 C ATOM 304 CH2 TRP A 19 65.602 12.657 79.904 1.00 61.23 C ATOM 0 H TRP A 19 68.549 16.655 83.662 1.00 10.14 H new ATOM 0 HA TRP A 19 69.237 18.624 81.604 1.00 5.10 H new ATOM 0 HB2 TRP A 19 68.643 16.957 79.821 1.00 61.42 H new ATOM 0 HB3 TRP A 19 70.181 16.671 80.610 1.00 61.42 H new ATOM 0 HD1 TRP A 19 70.241 14.542 82.412 1.00 55.54 H new ATOM 0 HE1 TRP A 19 68.929 12.323 82.428 1.00 1.43 H new ATOM 0 HE3 TRP A 19 66.485 15.867 79.209 1.00 23.53 H new ATOM 0 HZ2 TRP A 19 66.619 11.302 81.205 1.00 72.22 H new ATOM 0 HZ3 TRP A 19 64.754 14.199 78.675 1.00 33.34 H new ATOM 0 HH2 TRP A 19 64.836 11.941 79.643 1.00 61.23 H new ATOM 315 N SER A 20 66.799 18.955 81.099 1.00 75.41 N ATOM 316 CA SER A 20 65.393 19.343 81.039 1.00 4.45 C ATOM 317 C SER A 20 64.984 19.689 79.607 1.00 53.44 C ATOM 318 O SER A 20 65.706 20.401 78.901 1.00 34.13 O ATOM 319 CB SER A 20 65.131 20.540 81.964 1.00 21.52 C ATOM 320 OG SER A 20 65.417 20.212 83.317 1.00 45.04 O ATOM 0 H SER A 20 67.410 19.512 80.501 1.00 75.41 H new ATOM 0 HA SER A 20 64.793 18.497 81.374 1.00 4.45 H new ATOM 0 HB2 SER A 20 65.745 21.385 81.654 1.00 21.52 H new ATOM 0 HB3 SER A 20 64.091 20.852 81.874 1.00 21.52 H new ATOM 0 HG SER A 20 65.244 20.991 83.886 1.00 45.04 H new ATOM 326 N ASP A 21 63.832 19.161 79.185 1.00 25.43 N ATOM 327 CA ASP A 21 63.281 19.436 77.852 1.00 45.25 C ATOM 328 C ASP A 21 61.824 19.875 77.959 1.00 13.35 C ATOM 329 O ASP A 21 61.177 19.659 78.991 1.00 64.02 O ATOM 330 CB ASP A 21 63.358 18.205 76.936 1.00 34.03 C ATOM 331 CG ASP A 21 64.772 17.771 76.628 1.00 22.03 C ATOM 332 OD1 ASP A 21 65.516 18.537 75.985 1.00 72.50 O ATOM 333 OD2 ASP A 21 65.136 16.644 77.010 1.00 53.23 O ATOM 0 H ASP A 21 63.258 18.536 79.751 1.00 25.43 H new ATOM 0 HA ASP A 21 63.884 20.233 77.418 1.00 45.25 H new ATOM 0 HB2 ASP A 21 62.827 17.378 77.407 1.00 34.03 H new ATOM 0 HB3 ASP A 21 62.842 18.424 76.001 1.00 34.03 H new ATOM 338 N TYR A 22 61.314 20.489 76.892 1.00 4.12 N ATOM 339 CA TYR A 22 59.931 20.956 76.848 1.00 33.32 C ATOM 340 C TYR A 22 59.231 20.487 75.572 1.00 31.11 C ATOM 341 O TYR A 22 59.652 20.794 74.455 1.00 32.03 O ATOM 342 CB TYR A 22 59.856 22.496 77.033 1.00 44.44 C ATOM 343 CG TYR A 22 60.746 23.340 76.129 1.00 33.51 C ATOM 344 CD1 TYR A 22 62.082 23.583 76.450 1.00 2.14 C ATOM 345 CD2 TYR A 22 60.249 23.899 74.960 1.00 72.51 C ATOM 346 CE1 TYR A 22 62.879 24.361 75.639 1.00 3.32 C ATOM 347 CE2 TYR A 22 61.045 24.675 74.145 1.00 42.11 C ATOM 348 CZ TYR A 22 62.358 24.896 74.485 1.00 34.01 C ATOM 349 OH TYR A 22 63.148 25.674 73.672 1.00 52.33 O ATOM 0 H TYR A 22 61.844 20.675 76.041 1.00 4.12 H new ATOM 0 HA TYR A 22 59.393 20.510 77.684 1.00 33.32 H new ATOM 0 HB2 TYR A 22 58.823 22.807 76.879 1.00 44.44 H new ATOM 0 HB3 TYR A 22 60.107 22.727 78.068 1.00 44.44 H new ATOM 0 HD1 TYR A 22 62.498 23.154 77.349 1.00 2.14 H new ATOM 0 HD2 TYR A 22 59.220 23.723 74.684 1.00 72.51 H new ATOM 0 HE1 TYR A 22 63.908 24.550 75.909 1.00 3.32 H new ATOM 0 HE2 TYR A 22 60.638 25.108 73.243 1.00 42.11 H new ATOM 0 HH TYR A 22 62.627 25.972 72.898 1.00 52.33 H new ATOM 848 N PRO A 59 -21.112 -3.091 14.276 1.00 41.44 N ATOM 849 CA PRO A 59 -19.903 -3.811 13.829 1.00 5.44 C ATOM 850 C PRO A 59 -18.786 -2.866 13.367 1.00 32.34 C ATOM 851 O PRO A 59 -19.041 -1.756 12.886 1.00 73.51 O ATOM 852 CB PRO A 59 -20.389 -4.702 12.674 1.00 61.35 C ATOM 853 CG PRO A 59 -21.726 -4.168 12.292 1.00 24.32 C ATOM 854 CD PRO A 59 -22.305 -3.561 13.536 1.00 53.13 C ATOM 0 HA PRO A 59 -19.460 -4.382 14.645 1.00 5.44 H new ATOM 0 HB2 PRO A 59 -19.697 -4.665 11.833 1.00 61.35 H new ATOM 0 HB3 PRO A 59 -20.457 -5.744 12.985 1.00 61.35 H new ATOM 0 HG2 PRO A 59 -21.636 -3.424 11.501 1.00 24.32 H new ATOM 0 HG3 PRO A 59 -22.368 -4.962 11.911 1.00 24.32 H new ATOM 0 HD2 PRO A 59 -22.983 -2.740 13.304 1.00 53.13 H new ATOM 0 HD3 PRO A 59 -22.873 -4.291 14.112 1.00 53.13 H new ATOM 862 N VAL A 60 -17.558 -3.322 13.535 1.00 13.44 N ATOM 863 CA VAL A 60 -16.382 -2.477 13.396 1.00 61.43 C ATOM 864 C VAL A 60 -16.028 -2.253 11.914 1.00 21.31 C ATOM 865 O VAL A 60 -16.153 -3.158 11.085 1.00 52.42 O ATOM 866 CB VAL A 60 -15.188 -3.082 14.206 1.00 25.32 C ATOM 867 CG1 VAL A 60 -14.669 -4.390 13.609 1.00 21.12 C ATOM 868 CG2 VAL A 60 -14.053 -2.079 14.383 1.00 12.32 C ATOM 0 H VAL A 60 -17.346 -4.291 13.772 1.00 13.44 H new ATOM 0 HA VAL A 60 -16.603 -1.494 13.813 1.00 61.43 H new ATOM 0 HB VAL A 60 -15.587 -3.317 15.193 1.00 25.32 H new ATOM 0 HG11 VAL A 60 -13.842 -4.762 14.213 1.00 21.12 H new ATOM 0 HG12 VAL A 60 -15.471 -5.128 13.598 1.00 21.12 H new ATOM 0 HG13 VAL A 60 -14.324 -4.213 12.590 1.00 21.12 H new ATOM 0 HG21 VAL A 60 -13.245 -2.540 14.951 1.00 12.32 H new ATOM 0 HG22 VAL A 60 -13.681 -1.774 13.405 1.00 12.32 H new ATOM 0 HG23 VAL A 60 -14.421 -1.205 14.920 1.00 12.32 H new ATOM 878 N LEU A 61 -15.669 -1.015 11.593 1.00 4.41 N ATOM 879 CA LEU A 61 -15.152 -0.659 10.275 1.00 10.31 C ATOM 880 C LEU A 61 -13.616 -0.869 10.270 1.00 72.50 C ATOM 881 O LEU A 61 -13.014 -0.957 11.347 1.00 62.11 O ATOM 882 CB LEU A 61 -15.588 0.789 9.821 1.00 61.31 C ATOM 883 CG LEU A 61 -15.652 1.984 10.827 1.00 30.31 C ATOM 884 CD1 LEU A 61 -16.890 1.917 11.718 1.00 2.11 C ATOM 885 CD2 LEU A 61 -14.394 2.115 11.677 1.00 11.41 C ATOM 0 H LEU A 61 -15.728 -0.228 12.240 1.00 4.41 H new ATOM 0 HA LEU A 61 -15.593 -1.317 9.526 1.00 10.31 H new ATOM 0 HB2 LEU A 61 -14.910 1.086 9.021 1.00 61.31 H new ATOM 0 HB3 LEU A 61 -16.580 0.695 9.379 1.00 61.31 H new ATOM 0 HG LEU A 61 -15.721 2.880 10.210 1.00 30.31 H new ATOM 0 HD11 LEU A 61 -16.893 2.767 12.401 1.00 2.11 H new ATOM 0 HD12 LEU A 61 -17.786 1.946 11.098 1.00 2.11 H new ATOM 0 HD13 LEU A 61 -16.876 0.990 12.292 1.00 2.11 H new ATOM 0 HD21 LEU A 61 -14.499 2.962 12.355 1.00 11.41 H new ATOM 0 HD22 LEU A 61 -14.249 1.203 12.256 1.00 11.41 H new ATOM 0 HD23 LEU A 61 -13.532 2.274 11.029 1.00 11.41 H new ATOM 897 N PRO A 62 -12.940 -0.986 9.099 1.00 4.52 N ATOM 898 CA PRO A 62 -11.554 -1.418 9.069 1.00 21.22 C ATOM 899 C PRO A 62 -10.534 -0.313 9.297 1.00 31.21 C ATOM 900 O PRO A 62 -10.858 0.844 9.589 1.00 50.40 O ATOM 901 CB PRO A 62 -11.373 -1.960 7.664 1.00 50.54 C ATOM 902 CG PRO A 62 -12.350 -1.220 6.818 1.00 10.12 C ATOM 903 CD PRO A 62 -13.430 -0.702 7.734 1.00 44.33 C ATOM 0 HA PRO A 62 -11.378 -2.130 9.876 1.00 21.22 H new ATOM 0 HB2 PRO A 62 -10.353 -1.804 7.312 1.00 50.54 H new ATOM 0 HB3 PRO A 62 -11.561 -3.033 7.631 1.00 50.54 H new ATOM 0 HG2 PRO A 62 -11.861 -0.398 6.296 1.00 10.12 H new ATOM 0 HG3 PRO A 62 -12.773 -1.875 6.056 1.00 10.12 H new ATOM 0 HD2 PRO A 62 -13.594 0.366 7.587 1.00 44.33 H new ATOM 0 HD3 PRO A 62 -14.381 -1.200 7.544 1.00 44.33 H new ATOM 911 N THR A 63 -9.286 -0.717 9.158 1.00 33.44 N ATOM 912 CA THR A 63 -8.148 0.144 9.286 1.00 12.25 C ATOM 913 C THR A 63 -7.093 -0.321 8.290 1.00 34.14 C ATOM 914 O THR A 63 -6.514 -1.389 8.467 1.00 34.30 O ATOM 915 CB THR A 63 -7.558 0.081 10.711 1.00 44.31 C ATOM 916 OG1 THR A 63 -8.586 0.233 11.698 1.00 72.21 O ATOM 917 CG2 THR A 63 -6.527 1.164 10.889 1.00 32.12 C ATOM 0 H THR A 63 -9.039 -1.684 8.947 1.00 33.44 H new ATOM 0 HA THR A 63 -8.452 1.172 9.090 1.00 12.25 H new ATOM 0 HB THR A 63 -7.091 -0.895 10.842 1.00 44.31 H new ATOM 0 HG1 THR A 63 -8.189 0.188 12.593 1.00 72.21 H new ATOM 0 HG21 THR A 63 -6.116 1.113 11.897 1.00 32.12 H new ATOM 0 HG22 THR A 63 -5.726 1.027 10.163 1.00 32.12 H new ATOM 0 HG23 THR A 63 -6.992 2.138 10.736 1.00 32.12 H new ATOM 925 N ALA A 64 -6.872 0.440 7.231 1.00 15.00 N ATOM 926 CA ALA A 64 -5.821 0.112 6.287 1.00 51.10 C ATOM 927 C ALA A 64 -4.526 0.724 6.746 1.00 43.34 C ATOM 928 O ALA A 64 -4.378 1.942 6.786 1.00 21.22 O ATOM 929 CB ALA A 64 -6.152 0.578 4.895 1.00 64.10 C ATOM 0 H ALA A 64 -7.402 1.282 7.006 1.00 15.00 H new ATOM 0 HA ALA A 64 -5.725 -0.973 6.251 1.00 51.10 H new ATOM 0 HB1 ALA A 64 -5.339 0.312 4.219 1.00 64.10 H new ATOM 0 HB2 ALA A 64 -7.073 0.100 4.560 1.00 64.10 H new ATOM 0 HB3 ALA A 64 -6.285 1.660 4.895 1.00 64.10 H new ATOM 935 N ARG A 65 -3.604 -0.133 7.125 1.00 12.24 N ATOM 936 CA ARG A 65 -2.294 0.282 7.584 1.00 14.42 C ATOM 937 C ARG A 65 -1.266 -0.594 6.911 1.00 10.10 C ATOM 938 O ARG A 65 -1.548 -1.751 6.613 1.00 44.52 O ATOM 939 CB ARG A 65 -2.168 0.158 9.117 1.00 52.03 C ATOM 940 CG ARG A 65 -3.040 1.119 9.922 1.00 31.03 C ATOM 941 CD ARG A 65 -2.687 2.584 9.673 1.00 12.41 C ATOM 942 NE ARG A 65 -3.561 3.487 10.432 1.00 44.15 N ATOM 943 CZ ARG A 65 -4.483 4.291 9.886 1.00 71.14 C ATOM 944 NH1 ARG A 65 -4.695 4.307 8.572 1.00 32.10 N ATOM 945 NH2 ARG A 65 -5.216 5.061 10.669 1.00 54.52 N ATOM 0 H ARG A 65 -3.741 -1.144 7.124 1.00 12.24 H new ATOM 0 HA ARG A 65 -2.138 1.330 7.329 1.00 14.42 H new ATOM 0 HB2 ARG A 65 -2.420 -0.863 9.405 1.00 52.03 H new ATOM 0 HB3 ARG A 65 -1.126 0.320 9.394 1.00 52.03 H new ATOM 0 HG2 ARG A 65 -4.087 0.953 9.667 1.00 31.03 H new ATOM 0 HG3 ARG A 65 -2.932 0.899 10.984 1.00 31.03 H new ATOM 0 HD2 ARG A 65 -1.649 2.761 9.953 1.00 12.41 H new ATOM 0 HD3 ARG A 65 -2.772 2.804 8.609 1.00 12.41 H new ATOM 0 HE ARG A 65 -3.459 3.503 11.447 1.00 44.15 H new ATOM 0 HH11 ARG A 65 -4.150 3.699 7.960 1.00 32.10 H new ATOM 0 HH12 ARG A 65 -5.402 4.927 8.177 1.00 32.10 H new ATOM 0 HH21 ARG A 65 -5.077 5.040 11.679 1.00 54.52 H new ATOM 0 HH22 ARG A 65 -5.921 5.677 10.264 1.00 54.52 H new ATOM 959 N PHE A 66 -0.103 -0.035 6.636 1.00 15.22 N ATOM 960 CA PHE A 66 1.001 -0.797 6.078 1.00 14.42 C ATOM 961 C PHE A 66 2.308 -0.090 6.357 1.00 33.32 C ATOM 962 O PHE A 66 2.338 1.135 6.487 1.00 2.53 O ATOM 963 CB PHE A 66 0.832 -1.066 4.554 1.00 53.43 C ATOM 964 CG PHE A 66 0.857 0.127 3.630 1.00 64.51 C ATOM 965 CD1 PHE A 66 -0.262 0.926 3.467 1.00 55.30 C ATOM 966 CD2 PHE A 66 1.996 0.422 2.893 1.00 34.13 C ATOM 967 CE1 PHE A 66 -0.245 1.997 2.602 1.00 3.34 C ATOM 968 CE2 PHE A 66 2.015 1.490 2.024 1.00 42.33 C ATOM 969 CZ PHE A 66 0.892 2.278 1.878 1.00 45.44 C ATOM 0 H PHE A 66 0.104 0.952 6.791 1.00 15.22 H new ATOM 0 HA PHE A 66 1.006 -1.772 6.566 1.00 14.42 H new ATOM 0 HB2 PHE A 66 1.622 -1.749 4.243 1.00 53.43 H new ATOM 0 HB3 PHE A 66 -0.115 -1.586 4.407 1.00 53.43 H new ATOM 0 HD1 PHE A 66 -1.160 0.706 4.026 1.00 55.30 H new ATOM 0 HD2 PHE A 66 2.877 -0.193 3.002 1.00 34.13 H new ATOM 0 HE1 PHE A 66 -1.123 2.616 2.491 1.00 3.34 H new ATOM 0 HE2 PHE A 66 2.908 1.710 1.458 1.00 42.33 H new ATOM 0 HZ PHE A 66 0.905 3.115 1.196 1.00 45.44 H new ATOM 979 N THR A 67 3.379 -0.851 6.478 1.00 25.20 N ATOM 980 CA THR A 67 4.689 -0.255 6.580 1.00 32.24 C ATOM 981 C THR A 67 5.473 -0.518 5.296 1.00 43.23 C ATOM 982 O THR A 67 5.505 -1.636 4.769 1.00 34.03 O ATOM 983 CB THR A 67 5.464 -0.709 7.852 1.00 63.14 C ATOM 984 OG1 THR A 67 6.780 -0.143 7.867 1.00 73.40 O ATOM 985 CG2 THR A 67 5.561 -2.228 7.970 1.00 55.23 C ATOM 0 H THR A 67 3.365 -1.870 6.507 1.00 25.20 H new ATOM 0 HA THR A 67 4.562 0.821 6.696 1.00 32.24 H new ATOM 0 HB THR A 67 4.895 -0.347 8.708 1.00 63.14 H new ATOM 0 HG1 THR A 67 7.253 -0.437 8.673 1.00 73.40 H new ATOM 0 HG21 THR A 67 6.111 -2.488 8.874 1.00 55.23 H new ATOM 0 HG22 THR A 67 4.559 -2.654 8.020 1.00 55.23 H new ATOM 0 HG23 THR A 67 6.083 -2.628 7.100 1.00 55.23 H new ATOM 993 N SER A 68 6.033 0.553 4.769 1.00 33.12 N ATOM 994 CA SER A 68 6.882 0.495 3.602 1.00 53.25 C ATOM 995 C SER A 68 8.328 0.432 4.063 1.00 35.50 C ATOM 996 O SER A 68 8.665 1.025 5.095 1.00 31.30 O ATOM 997 CB SER A 68 6.643 1.735 2.729 1.00 51.14 C ATOM 998 OG SER A 68 7.385 1.673 1.529 1.00 73.20 O ATOM 0 H SER A 68 5.909 1.494 5.144 1.00 33.12 H new ATOM 0 HA SER A 68 6.653 -0.389 3.007 1.00 53.25 H new ATOM 0 HB2 SER A 68 5.581 1.819 2.498 1.00 51.14 H new ATOM 0 HB3 SER A 68 6.921 2.631 3.284 1.00 51.14 H new ATOM 0 HG SER A 68 6.888 1.152 0.864 1.00 73.20 H new ATOM 1004 N ASP A 69 9.165 -0.303 3.325 1.00 43.45 N ATOM 1005 CA ASP A 69 10.594 -0.413 3.643 1.00 43.01 C ATOM 1006 C ASP A 69 11.282 0.940 3.485 1.00 54.13 C ATOM 1007 O ASP A 69 11.916 1.435 4.421 1.00 72.31 O ATOM 1008 CB ASP A 69 11.263 -1.456 2.752 1.00 33.42 C ATOM 1009 CG ASP A 69 12.712 -1.686 3.108 1.00 32.43 C ATOM 1010 OD1 ASP A 69 12.974 -2.252 4.189 1.00 25.35 O ATOM 1011 OD2 ASP A 69 13.589 -1.292 2.316 1.00 74.32 O ATOM 0 H ASP A 69 8.878 -0.832 2.501 1.00 43.45 H new ATOM 0 HA ASP A 69 10.691 -0.732 4.681 1.00 43.01 H new ATOM 0 HB2 ASP A 69 10.720 -2.398 2.832 1.00 33.42 H new ATOM 0 HB3 ASP A 69 11.195 -1.136 1.712 1.00 33.42 H new ATOM 1016 N ILE A 70 11.136 1.539 2.302 1.00 20.44 N ATOM 1017 CA ILE A 70 11.571 2.906 2.077 1.00 22.10 C ATOM 1018 C ILE A 70 10.390 3.785 1.684 1.00 53.04 C ATOM 1019 O ILE A 70 9.544 3.398 0.872 1.00 71.41 O ATOM 1020 CB ILE A 70 12.744 3.016 1.038 1.00 75.41 C ATOM 1021 CG1 ILE A 70 12.470 2.253 -0.275 1.00 54.54 C ATOM 1022 CG2 ILE A 70 14.048 2.524 1.652 1.00 45.43 C ATOM 1023 CD1 ILE A 70 11.945 3.115 -1.411 1.00 13.15 C ATOM 0 H ILE A 70 10.718 1.092 1.486 1.00 20.44 H new ATOM 0 HA ILE A 70 11.976 3.270 3.021 1.00 22.10 H new ATOM 0 HB ILE A 70 12.825 4.073 0.784 1.00 75.41 H new ATOM 0 HG12 ILE A 70 13.392 1.771 -0.599 1.00 54.54 H new ATOM 0 HG13 ILE A 70 11.749 1.460 -0.075 1.00 54.54 H new ATOM 0 HG21 ILE A 70 14.850 2.607 0.918 1.00 45.43 H new ATOM 0 HG22 ILE A 70 14.291 3.130 2.525 1.00 45.43 H new ATOM 0 HG23 ILE A 70 13.938 1.482 1.953 1.00 45.43 H new ATOM 0 HD11 ILE A 70 11.781 2.495 -2.293 1.00 13.15 H new ATOM 0 HD12 ILE A 70 11.004 3.577 -1.112 1.00 13.15 H new ATOM 0 HD13 ILE A 70 12.673 3.892 -1.644 1.00 13.15 H new ATOM 1035 N THR A 71 10.314 4.942 2.306 1.00 1.12 N ATOM 1036 CA THR A 71 9.354 5.962 1.920 1.00 72.55 C ATOM 1037 C THR A 71 9.947 6.817 0.808 1.00 13.24 C ATOM 1038 O THR A 71 9.243 7.273 -0.099 1.00 24.33 O ATOM 1039 CB THR A 71 8.980 6.848 3.118 1.00 53.34 C ATOM 1040 OG1 THR A 71 10.156 7.127 3.890 1.00 25.02 O ATOM 1041 CG2 THR A 71 7.931 6.183 3.995 1.00 22.03 C ATOM 0 H THR A 71 10.911 5.204 3.090 1.00 1.12 H new ATOM 0 HA THR A 71 8.447 5.472 1.566 1.00 72.55 H new ATOM 0 HB THR A 71 8.556 7.778 2.738 1.00 53.34 H new ATOM 0 HG1 THR A 71 9.919 7.694 4.654 1.00 25.02 H new ATOM 0 HG21 THR A 71 7.690 6.837 4.833 1.00 22.03 H new ATOM 0 HG22 THR A 71 7.031 5.997 3.409 1.00 22.03 H new ATOM 0 HG23 THR A 71 8.319 5.237 4.373 1.00 22.03 H new ATOM 1049 N GLU A 72 11.268 6.978 0.889 1.00 15.13 N ATOM 1050 CA GLU A 72 12.049 7.750 -0.054 1.00 10.40 C ATOM 1051 C GLU A 72 13.514 7.337 0.099 1.00 52.30 C ATOM 1052 O GLU A 72 13.931 6.901 1.176 1.00 52.44 O ATOM 1053 CB GLU A 72 11.869 9.253 0.200 1.00 51.51 C ATOM 1054 CG GLU A 72 12.366 10.135 -0.932 1.00 41.13 C ATOM 1055 CD GLU A 72 12.037 11.579 -0.715 1.00 65.24 C ATOM 1056 OE1 GLU A 72 10.916 11.989 -1.074 1.00 31.42 O ATOM 1057 OE2 GLU A 72 12.901 12.316 -0.210 1.00 74.12 O ATOM 0 H GLU A 72 11.829 6.562 1.632 1.00 15.13 H new ATOM 0 HA GLU A 72 11.715 7.555 -1.073 1.00 10.40 H new ATOM 0 HB2 GLU A 72 10.812 9.458 0.369 1.00 51.51 H new ATOM 0 HB3 GLU A 72 12.397 9.522 1.115 1.00 51.51 H new ATOM 0 HG2 GLU A 72 13.446 10.022 -1.030 1.00 41.13 H new ATOM 0 HG3 GLU A 72 11.924 9.801 -1.871 1.00 41.13 H new ATOM 1064 N GLY A 73 14.271 7.457 -0.976 1.00 1.01 N ATOM 1065 CA GLY A 73 15.655 7.029 -0.987 1.00 64.12 C ATOM 1066 C GLY A 73 16.017 6.492 -2.339 1.00 21.22 C ATOM 1067 O GLY A 73 15.248 6.682 -3.287 1.00 10.31 O ATOM 0 H GLY A 73 13.946 7.851 -1.859 1.00 1.01 H new ATOM 0 HA2 GLY A 73 16.305 7.867 -0.734 1.00 64.12 H new ATOM 0 HA3 GLY A 73 15.813 6.262 -0.228 1.00 64.12 H new ATOM 1071 N PHE A 74 17.163 5.815 -2.456 1.00 33.40 N ATOM 1072 CA PHE A 74 17.555 5.241 -3.737 1.00 60.44 C ATOM 1073 C PHE A 74 16.733 3.979 -3.998 1.00 24.41 C ATOM 1074 O PHE A 74 16.492 3.200 -3.070 1.00 24.20 O ATOM 1075 CB PHE A 74 19.085 4.978 -3.835 1.00 45.30 C ATOM 1076 CG PHE A 74 19.625 3.800 -3.056 1.00 25.43 C ATOM 1077 CD1 PHE A 74 19.932 3.912 -1.711 1.00 32.43 C ATOM 1078 CD2 PHE A 74 19.835 2.578 -3.683 1.00 10.40 C ATOM 1079 CE1 PHE A 74 20.431 2.836 -1.006 1.00 73.42 C ATOM 1080 CE2 PHE A 74 20.332 1.500 -2.982 1.00 70.31 C ATOM 1081 CZ PHE A 74 20.628 1.629 -1.643 1.00 1.44 C ATOM 0 H PHE A 74 17.821 5.655 -1.693 1.00 33.40 H new ATOM 0 HA PHE A 74 17.341 5.969 -4.519 1.00 60.44 H new ATOM 0 HB2 PHE A 74 19.339 4.836 -4.885 1.00 45.30 H new ATOM 0 HB3 PHE A 74 19.606 5.875 -3.500 1.00 45.30 H new ATOM 0 HD1 PHE A 74 19.779 4.855 -1.206 1.00 32.43 H new ATOM 0 HD2 PHE A 74 19.606 2.471 -4.733 1.00 10.40 H new ATOM 0 HE1 PHE A 74 20.667 2.939 0.043 1.00 73.42 H new ATOM 0 HE2 PHE A 74 20.489 0.556 -3.482 1.00 70.31 H new ATOM 0 HZ PHE A 74 21.015 0.784 -1.092 1.00 1.44 H new ATOM 1091 N ALA A 75 16.227 3.872 -5.234 1.00 13.21 N ATOM 1092 CA ALA A 75 15.413 2.742 -5.696 1.00 42.25 C ATOM 1093 C ALA A 75 16.080 1.385 -5.468 1.00 13.24 C ATOM 1094 O ALA A 75 17.147 1.104 -6.021 1.00 41.55 O ATOM 1095 CB ALA A 75 15.076 2.907 -7.178 1.00 23.22 C ATOM 0 H ALA A 75 16.375 4.581 -5.952 1.00 13.21 H new ATOM 0 HA ALA A 75 14.502 2.753 -5.098 1.00 42.25 H new ATOM 0 HB1 ALA A 75 14.472 2.063 -7.510 1.00 23.22 H new ATOM 0 HB2 ALA A 75 14.518 3.832 -7.323 1.00 23.22 H new ATOM 0 HB3 ALA A 75 15.998 2.944 -7.759 1.00 23.22 H new ATOM 1101 N PRO A 76 15.471 0.540 -4.608 1.00 42.32 N ATOM 1102 CA PRO A 76 15.835 -0.857 -4.477 1.00 70.33 C ATOM 1103 C PRO A 76 15.017 -1.716 -5.439 1.00 74.34 C ATOM 1104 O PRO A 76 14.104 -1.219 -6.105 1.00 52.11 O ATOM 1105 CB PRO A 76 15.474 -1.186 -3.014 1.00 52.23 C ATOM 1106 CG PRO A 76 14.730 0.001 -2.481 1.00 65.42 C ATOM 1107 CD PRO A 76 14.402 0.877 -3.661 1.00 62.21 C ATOM 0 HA PRO A 76 16.882 -1.050 -4.711 1.00 70.33 H new ATOM 0 HB2 PRO A 76 14.860 -2.085 -2.959 1.00 52.23 H new ATOM 0 HB3 PRO A 76 16.372 -1.377 -2.426 1.00 52.23 H new ATOM 0 HG2 PRO A 76 13.821 -0.312 -1.968 1.00 65.42 H new ATOM 0 HG3 PRO A 76 15.336 0.542 -1.755 1.00 65.42 H new ATOM 0 HD2 PRO A 76 13.415 0.658 -4.068 1.00 62.21 H new ATOM 0 HD3 PRO A 76 14.411 1.935 -3.397 1.00 62.21 H new ATOM 1115 N LEU A 77 15.317 -2.998 -5.505 1.00 34.52 N ATOM 1116 CA LEU A 77 14.535 -3.889 -6.345 1.00 14.54 C ATOM 1117 C LEU A 77 13.405 -4.500 -5.529 1.00 2.33 C ATOM 1118 O LEU A 77 12.292 -4.642 -6.016 1.00 33.34 O ATOM 1119 CB LEU A 77 15.412 -4.957 -7.024 1.00 21.00 C ATOM 1120 CG LEU A 77 16.351 -5.750 -6.114 1.00 71.22 C ATOM 1121 CD1 LEU A 77 16.011 -7.226 -6.158 1.00 22.03 C ATOM 1122 CD2 LEU A 77 17.796 -5.522 -6.523 1.00 1.53 C ATOM 0 H LEU A 77 16.082 -3.442 -4.998 1.00 34.52 H new ATOM 0 HA LEU A 77 14.095 -3.309 -7.156 1.00 14.54 H new ATOM 0 HB2 LEU A 77 14.756 -5.662 -7.535 1.00 21.00 H new ATOM 0 HB3 LEU A 77 16.013 -4.468 -7.791 1.00 21.00 H new ATOM 0 HG LEU A 77 16.222 -5.400 -5.090 1.00 71.22 H new ATOM 0 HD11 LEU A 77 16.689 -7.775 -5.505 1.00 22.03 H new ATOM 0 HD12 LEU A 77 14.985 -7.373 -5.822 1.00 22.03 H new ATOM 0 HD13 LEU A 77 16.114 -7.593 -7.179 1.00 22.03 H new ATOM 0 HD21 LEU A 77 18.454 -6.092 -5.867 1.00 1.53 H new ATOM 0 HD22 LEU A 77 17.938 -5.849 -7.553 1.00 1.53 H new ATOM 0 HD23 LEU A 77 18.034 -4.461 -6.443 1.00 1.53 H new ATOM 1134 N SER A 78 13.676 -4.814 -4.274 1.00 74.10 N ATOM 1135 CA SER A 78 12.657 -5.327 -3.396 1.00 53.40 C ATOM 1136 C SER A 78 12.378 -4.339 -2.279 1.00 45.11 C ATOM 1137 O SER A 78 13.142 -4.230 -1.315 1.00 4.25 O ATOM 1138 CB SER A 78 13.079 -6.678 -2.823 1.00 5.05 C ATOM 1139 OG SER A 78 13.391 -7.591 -3.863 1.00 42.42 O ATOM 0 H SER A 78 14.597 -4.720 -3.846 1.00 74.10 H new ATOM 0 HA SER A 78 11.741 -5.468 -3.970 1.00 53.40 H new ATOM 0 HB2 SER A 78 13.946 -6.548 -2.175 1.00 5.05 H new ATOM 0 HB3 SER A 78 12.277 -7.083 -2.206 1.00 5.05 H new ATOM 0 HG SER A 78 13.661 -8.449 -3.475 1.00 42.42 H new ATOM 1145 N VAL A 79 11.308 -3.578 -2.446 1.00 64.31 N ATOM 1146 CA VAL A 79 10.787 -2.757 -1.368 1.00 13.45 C ATOM 1147 C VAL A 79 9.800 -3.619 -0.594 1.00 54.32 C ATOM 1148 O VAL A 79 8.841 -4.140 -1.171 1.00 51.20 O ATOM 1149 CB VAL A 79 10.096 -1.457 -1.866 1.00 65.12 C ATOM 1150 CG1 VAL A 79 9.758 -0.534 -0.698 1.00 63.24 C ATOM 1151 CG2 VAL A 79 10.969 -0.722 -2.869 1.00 72.03 C ATOM 0 H VAL A 79 10.784 -3.513 -3.319 1.00 64.31 H new ATOM 0 HA VAL A 79 11.615 -2.424 -0.743 1.00 13.45 H new ATOM 0 HB VAL A 79 9.169 -1.750 -2.360 1.00 65.12 H new ATOM 0 HG11 VAL A 79 9.276 0.368 -1.075 1.00 63.24 H new ATOM 0 HG12 VAL A 79 9.084 -1.047 -0.012 1.00 63.24 H new ATOM 0 HG13 VAL A 79 10.673 -0.263 -0.172 1.00 63.24 H new ATOM 0 HG21 VAL A 79 10.460 0.183 -3.200 1.00 72.03 H new ATOM 0 HG22 VAL A 79 11.916 -0.455 -2.400 1.00 72.03 H new ATOM 0 HG23 VAL A 79 11.158 -1.366 -3.728 1.00 72.03 H new ATOM 1161 N ARG A 80 10.081 -3.803 0.690 1.00 21.11 N ATOM 1162 CA ARG A 80 9.320 -4.703 1.552 1.00 60.12 C ATOM 1163 C ARG A 80 7.982 -4.082 1.947 1.00 12.21 C ATOM 1164 O ARG A 80 7.930 -3.129 2.727 1.00 31.44 O ATOM 1165 CB ARG A 80 10.135 -5.035 2.810 1.00 4.34 C ATOM 1166 CG ARG A 80 11.546 -5.533 2.525 1.00 73.41 C ATOM 1167 CD ARG A 80 12.334 -5.726 3.807 1.00 63.32 C ATOM 1168 NE ARG A 80 13.767 -5.907 3.551 1.00 24.21 N ATOM 1169 CZ ARG A 80 14.746 -5.449 4.344 1.00 61.23 C ATOM 1170 NH1 ARG A 80 14.465 -4.770 5.451 1.00 75.41 N ATOM 1171 NH2 ARG A 80 16.013 -5.666 4.018 1.00 40.42 N ATOM 0 H ARG A 80 10.848 -3.329 1.167 1.00 21.11 H new ATOM 0 HA ARG A 80 9.120 -5.620 0.998 1.00 60.12 H new ATOM 0 HB2 ARG A 80 10.195 -4.145 3.436 1.00 4.34 H new ATOM 0 HB3 ARG A 80 9.603 -5.793 3.385 1.00 4.34 H new ATOM 0 HG2 ARG A 80 11.498 -6.476 1.980 1.00 73.41 H new ATOM 0 HG3 ARG A 80 12.062 -4.820 1.882 1.00 73.41 H new ATOM 0 HD2 ARG A 80 12.188 -4.862 4.455 1.00 63.32 H new ATOM 0 HD3 ARG A 80 11.949 -6.594 4.342 1.00 63.32 H new ATOM 0 HE ARG A 80 14.038 -6.417 2.710 1.00 24.21 H new ATOM 0 HH11 ARG A 80 13.494 -4.591 5.707 1.00 75.41 H new ATOM 0 HH12 ARG A 80 15.220 -4.428 6.045 1.00 75.41 H new ATOM 0 HH21 ARG A 80 16.240 -6.180 3.166 1.00 40.42 H new ATOM 0 HH22 ARG A 80 16.761 -5.319 4.619 1.00 40.42 H new ATOM 1185 N PHE A 81 6.910 -4.609 1.370 1.00 54.40 N ATOM 1186 CA PHE A 81 5.564 -4.168 1.700 1.00 24.21 C ATOM 1187 C PHE A 81 4.813 -5.271 2.412 1.00 1.33 C ATOM 1188 O PHE A 81 4.737 -6.399 1.923 1.00 44.30 O ATOM 1189 CB PHE A 81 4.779 -3.756 0.454 1.00 24.52 C ATOM 1190 CG PHE A 81 5.265 -2.495 -0.190 1.00 74.32 C ATOM 1191 CD1 PHE A 81 4.988 -1.263 0.372 1.00 74.32 C ATOM 1192 CD2 PHE A 81 5.985 -2.540 -1.364 1.00 44.20 C ATOM 1193 CE1 PHE A 81 5.434 -0.105 -0.226 1.00 31.33 C ATOM 1194 CE2 PHE A 81 6.431 -1.387 -1.966 1.00 74.25 C ATOM 1195 CZ PHE A 81 6.153 -0.168 -1.399 1.00 70.13 C ATOM 0 H PHE A 81 6.949 -5.347 0.667 1.00 54.40 H new ATOM 0 HA PHE A 81 5.660 -3.299 2.350 1.00 24.21 H new ATOM 0 HB2 PHE A 81 4.827 -4.565 -0.275 1.00 24.52 H new ATOM 0 HB3 PHE A 81 3.730 -3.632 0.724 1.00 24.52 H new ATOM 0 HD1 PHE A 81 4.417 -1.208 1.287 1.00 74.32 H new ATOM 0 HD2 PHE A 81 6.202 -3.495 -1.818 1.00 44.20 H new ATOM 0 HE1 PHE A 81 5.220 0.853 0.225 1.00 31.33 H new ATOM 0 HE2 PHE A 81 6.999 -1.440 -2.883 1.00 74.25 H new ATOM 0 HZ PHE A 81 6.497 0.740 -1.872 1.00 70.13 H new ATOM 1205 N LYS A 82 4.270 -4.943 3.567 1.00 14.31 N ATOM 1206 CA LYS A 82 3.419 -5.865 4.294 1.00 35.34 C ATOM 1207 C LYS A 82 2.182 -5.141 4.795 1.00 35.12 C ATOM 1208 O LYS A 82 2.212 -3.924 5.008 1.00 11.21 O ATOM 1209 CB LYS A 82 4.159 -6.529 5.468 1.00 3.14 C ATOM 1210 CG LYS A 82 4.657 -5.565 6.537 1.00 15.03 C ATOM 1211 CD LYS A 82 5.140 -6.301 7.778 1.00 21.22 C ATOM 1212 CE LYS A 82 3.998 -7.002 8.504 1.00 1.21 C ATOM 1213 NZ LYS A 82 4.477 -7.792 9.665 1.00 44.33 N ATOM 0 H LYS A 82 4.403 -4.041 4.024 1.00 14.31 H new ATOM 0 HA LYS A 82 3.125 -6.657 3.606 1.00 35.34 H new ATOM 0 HB2 LYS A 82 3.493 -7.255 5.935 1.00 3.14 H new ATOM 0 HB3 LYS A 82 5.010 -7.085 5.075 1.00 3.14 H new ATOM 0 HG2 LYS A 82 5.470 -4.961 6.133 1.00 15.03 H new ATOM 0 HG3 LYS A 82 3.855 -4.879 6.810 1.00 15.03 H new ATOM 0 HD2 LYS A 82 5.894 -7.035 7.494 1.00 21.22 H new ATOM 0 HD3 LYS A 82 5.621 -5.595 8.455 1.00 21.22 H new ATOM 0 HE2 LYS A 82 3.275 -6.260 8.844 1.00 1.21 H new ATOM 0 HE3 LYS A 82 3.476 -7.660 7.809 1.00 1.21 H new ATOM 0 HZ1 LYS A 82 3.668 -8.252 10.130 1.00 44.33 H new ATOM 0 HZ2 LYS A 82 5.147 -8.517 9.339 1.00 44.33 H new ATOM 0 HZ3 LYS A 82 4.952 -7.161 10.342 1.00 44.33 H new ATOM 1227 N ASP A 83 1.108 -5.888 4.987 1.00 62.32 N ATOM 1228 CA ASP A 83 -0.112 -5.332 5.528 1.00 74.21 C ATOM 1229 C ASP A 83 -0.032 -5.322 7.047 1.00 15.01 C ATOM 1230 O ASP A 83 0.453 -6.267 7.680 1.00 1.24 O ATOM 1231 CB ASP A 83 -1.369 -6.079 5.025 1.00 43.23 C ATOM 1232 CG ASP A 83 -1.543 -7.486 5.577 1.00 54.21 C ATOM 1233 OD1 ASP A 83 -0.888 -8.420 5.068 1.00 22.12 O ATOM 1234 OD2 ASP A 83 -2.360 -7.658 6.507 1.00 60.25 O ATOM 0 H ASP A 83 1.060 -6.884 4.774 1.00 62.32 H new ATOM 0 HA ASP A 83 -0.211 -4.307 5.172 1.00 74.21 H new ATOM 0 HB2 ASP A 83 -2.250 -5.492 5.283 1.00 43.23 H new ATOM 0 HB3 ASP A 83 -1.330 -6.134 3.937 1.00 43.23 H new ATOM 1239 N PHE A 84 -0.435 -4.210 7.609 1.00 25.32 N ATOM 1240 CA PHE A 84 -0.512 -4.032 9.047 1.00 32.24 C ATOM 1241 C PHE A 84 -1.958 -3.675 9.417 1.00 74.43 C ATOM 1242 O PHE A 84 -2.254 -3.225 10.528 1.00 11.03 O ATOM 1243 CB PHE A 84 0.479 -2.936 9.460 1.00 30.21 C ATOM 1244 CG PHE A 84 1.062 -3.132 10.829 1.00 33.42 C ATOM 1245 CD1 PHE A 84 1.824 -4.256 11.114 1.00 14.02 C ATOM 1246 CD2 PHE A 84 0.852 -2.200 11.826 1.00 11.41 C ATOM 1247 CE1 PHE A 84 2.359 -4.442 12.372 1.00 63.31 C ATOM 1248 CE2 PHE A 84 1.386 -2.380 13.085 1.00 43.43 C ATOM 1249 CZ PHE A 84 2.139 -3.501 13.360 1.00 63.53 C ATOM 0 H PHE A 84 -0.724 -3.389 7.078 1.00 25.32 H new ATOM 0 HA PHE A 84 -0.243 -4.944 9.579 1.00 32.24 H new ATOM 0 HB2 PHE A 84 1.289 -2.899 8.732 1.00 30.21 H new ATOM 0 HB3 PHE A 84 -0.026 -1.971 9.425 1.00 30.21 H new ATOM 0 HD1 PHE A 84 2.000 -4.992 10.344 1.00 14.02 H new ATOM 0 HD2 PHE A 84 0.262 -1.319 11.617 1.00 11.41 H new ATOM 0 HE1 PHE A 84 2.949 -5.321 12.584 1.00 63.31 H new ATOM 0 HE2 PHE A 84 1.214 -1.643 13.855 1.00 43.43 H new ATOM 0 HZ PHE A 84 2.556 -3.644 14.346 1.00 63.53 H new ATOM 1259 N SER A 85 -2.834 -3.898 8.428 1.00 73.12 N ATOM 1260 CA SER A 85 -4.257 -3.632 8.501 1.00 70.03 C ATOM 1261 C SER A 85 -4.960 -4.409 9.610 1.00 30.02 C ATOM 1262 O SER A 85 -4.690 -5.594 9.846 1.00 71.52 O ATOM 1263 CB SER A 85 -4.880 -3.962 7.155 1.00 12.01 C ATOM 1264 OG SER A 85 -4.287 -3.187 6.131 1.00 55.42 O ATOM 0 H SER A 85 -2.550 -4.283 7.527 1.00 73.12 H new ATOM 0 HA SER A 85 -4.386 -2.577 8.744 1.00 70.03 H new ATOM 0 HB2 SER A 85 -4.750 -5.022 6.938 1.00 12.01 H new ATOM 0 HB3 SER A 85 -5.953 -3.772 7.188 1.00 12.01 H new ATOM 0 HG SER A 85 -4.579 -3.521 5.257 1.00 55.42 H new ATOM 1270 N GLU A 86 -5.862 -3.710 10.286 1.00 61.34 N ATOM 1271 CA GLU A 86 -6.606 -4.256 11.405 1.00 21.44 C ATOM 1272 C GLU A 86 -8.096 -4.145 11.113 1.00 62.33 C ATOM 1273 O GLU A 86 -8.505 -3.229 10.401 1.00 24.33 O ATOM 1274 CB GLU A 86 -6.267 -3.497 12.693 1.00 42.10 C ATOM 1275 CG GLU A 86 -4.804 -3.594 13.109 1.00 21.02 C ATOM 1276 CD GLU A 86 -4.481 -2.709 14.291 1.00 22.53 C ATOM 1277 OE1 GLU A 86 -4.316 -1.487 14.100 1.00 1.32 O ATOM 1278 OE2 GLU A 86 -4.387 -3.222 15.421 1.00 71.15 O ATOM 0 H GLU A 86 -6.097 -2.741 10.069 1.00 61.34 H new ATOM 0 HA GLU A 86 -6.335 -5.303 11.541 1.00 21.44 H new ATOM 0 HB2 GLU A 86 -6.527 -2.447 12.561 1.00 42.10 H new ATOM 0 HB3 GLU A 86 -6.889 -3.880 13.502 1.00 42.10 H new ATOM 0 HG2 GLU A 86 -4.568 -4.629 13.358 1.00 21.02 H new ATOM 0 HG3 GLU A 86 -4.170 -3.316 12.267 1.00 21.02 H new ATOM 1285 N ASN A 87 -8.883 -5.104 11.637 1.00 3.21 N ATOM 1286 CA ASN A 87 -10.374 -5.115 11.545 1.00 73.04 C ATOM 1287 C ASN A 87 -10.877 -5.207 10.089 1.00 64.20 C ATOM 1288 O ASN A 87 -11.961 -4.719 9.758 1.00 74.51 O ATOM 1289 CB ASN A 87 -11.007 -3.885 12.244 1.00 34.51 C ATOM 1290 CG ASN A 87 -10.623 -3.748 13.712 1.00 14.33 C ATOM 1291 OD1 ASN A 87 -11.190 -4.411 14.579 1.00 21.22 O ATOM 1292 ND2 ASN A 87 -9.698 -2.840 14.005 1.00 70.21 N ATOM 0 H ASN A 87 -8.507 -5.906 12.143 1.00 3.21 H new ATOM 0 HA ASN A 87 -10.694 -6.016 12.069 1.00 73.04 H new ATOM 0 HB2 ASN A 87 -10.706 -2.982 11.713 1.00 34.51 H new ATOM 0 HB3 ASN A 87 -12.092 -3.953 12.167 1.00 34.51 H new ATOM 0 HD21 ASN A 87 -9.436 -2.674 14.977 1.00 70.21 H new ATOM 0 HD22 ASN A 87 -9.250 -2.309 13.258 1.00 70.21 H new ATOM 1299 N ALA A 88 -10.108 -5.887 9.239 1.00 74.31 N ATOM 1300 CA ALA A 88 -10.397 -5.934 7.816 1.00 25.12 C ATOM 1301 C ALA A 88 -10.948 -7.285 7.405 1.00 74.42 C ATOM 1302 O ALA A 88 -10.453 -8.328 7.838 1.00 52.32 O ATOM 1303 CB ALA A 88 -9.142 -5.621 7.024 1.00 54.11 C ATOM 0 H ALA A 88 -9.279 -6.412 9.517 1.00 74.31 H new ATOM 0 HA ALA A 88 -11.159 -5.184 7.602 1.00 25.12 H new ATOM 0 HB1 ALA A 88 -9.366 -5.658 5.958 1.00 54.11 H new ATOM 0 HB2 ALA A 88 -8.786 -4.625 7.286 1.00 54.11 H new ATOM 0 HB3 ALA A 88 -8.371 -6.355 7.259 1.00 54.11 H new ATOM 1309 N THR A 89 -11.974 -7.253 6.563 1.00 52.21 N ATOM 1310 CA THR A 89 -12.555 -8.468 6.007 1.00 52.44 C ATOM 1311 C THR A 89 -11.724 -8.922 4.804 1.00 62.44 C ATOM 1312 O THR A 89 -11.336 -10.085 4.708 1.00 11.24 O ATOM 1313 CB THR A 89 -14.022 -8.239 5.569 1.00 1.40 C ATOM 1314 OG1 THR A 89 -14.700 -7.458 6.558 1.00 61.41 O ATOM 1315 CG2 THR A 89 -14.769 -9.556 5.379 1.00 15.35 C ATOM 0 H THR A 89 -12.423 -6.393 6.249 1.00 52.21 H new ATOM 0 HA THR A 89 -12.548 -9.238 6.779 1.00 52.44 H new ATOM 0 HB THR A 89 -14.004 -7.716 4.613 1.00 1.40 H new ATOM 0 HG1 THR A 89 -15.660 -7.446 6.363 1.00 61.41 H new ATOM 0 HG21 THR A 89 -15.795 -9.352 5.072 1.00 15.35 H new ATOM 0 HG22 THR A 89 -14.272 -10.149 4.611 1.00 15.35 H new ATOM 0 HG23 THR A 89 -14.775 -10.110 6.318 1.00 15.35 H new ATOM 1323 N SER A 90 -11.437 -7.974 3.904 1.00 22.54 N ATOM 1324 CA SER A 90 -10.624 -8.230 2.720 1.00 31.12 C ATOM 1325 C SER A 90 -9.514 -7.182 2.617 1.00 11.44 C ATOM 1326 O SER A 90 -9.561 -6.165 3.309 1.00 25.22 O ATOM 1327 CB SER A 90 -11.499 -8.181 1.460 1.00 12.34 C ATOM 1328 OG SER A 90 -12.613 -9.055 1.571 1.00 73.43 O ATOM 0 H SER A 90 -11.764 -7.011 3.980 1.00 22.54 H new ATOM 0 HA SER A 90 -10.178 -9.221 2.805 1.00 31.12 H new ATOM 0 HB2 SER A 90 -11.849 -7.162 1.297 1.00 12.34 H new ATOM 0 HB3 SER A 90 -10.903 -8.457 0.590 1.00 12.34 H new ATOM 0 HG SER A 90 -13.153 -9.002 0.755 1.00 73.43 H new ATOM 1334 N ARG A 91 -8.515 -7.450 1.774 1.00 23.22 N ATOM 1335 CA ARG A 91 -7.472 -6.471 1.461 1.00 61.23 C ATOM 1336 C ARG A 91 -7.129 -6.495 -0.034 1.00 4.22 C ATOM 1337 O ARG A 91 -7.259 -7.527 -0.697 1.00 51.35 O ATOM 1338 CB ARG A 91 -6.198 -6.709 2.300 1.00 41.15 C ATOM 1339 CG ARG A 91 -5.609 -8.105 2.174 1.00 13.13 C ATOM 1340 CD ARG A 91 -4.129 -8.119 2.522 1.00 25.12 C ATOM 1341 NE ARG A 91 -3.532 -9.450 2.362 1.00 20.55 N ATOM 1342 CZ ARG A 91 -2.987 -9.917 1.227 1.00 43.43 C ATOM 1343 NH1 ARG A 91 -3.044 -9.221 0.093 1.00 71.45 N ATOM 1344 NH2 ARG A 91 -2.415 -11.108 1.221 1.00 64.14 N ATOM 0 H ARG A 91 -8.406 -8.343 1.293 1.00 23.22 H new ATOM 0 HA ARG A 91 -7.867 -5.488 1.716 1.00 61.23 H new ATOM 0 HB2 ARG A 91 -5.442 -5.982 2.003 1.00 41.15 H new ATOM 0 HB3 ARG A 91 -6.428 -6.519 3.348 1.00 41.15 H new ATOM 0 HG2 ARG A 91 -6.145 -8.788 2.833 1.00 13.13 H new ATOM 0 HG3 ARG A 91 -5.748 -8.469 1.156 1.00 13.13 H new ATOM 0 HD2 ARG A 91 -3.602 -7.408 1.886 1.00 25.12 H new ATOM 0 HD3 ARG A 91 -3.997 -7.785 3.551 1.00 25.12 H new ATOM 0 HE ARG A 91 -3.531 -10.067 3.174 1.00 20.55 H new ATOM 0 HH11 ARG A 91 -3.509 -8.313 0.075 1.00 71.45 H new ATOM 0 HH12 ARG A 91 -2.623 -9.596 -0.757 1.00 71.45 H new ATOM 0 HH21 ARG A 91 -2.390 -11.666 2.075 1.00 64.14 H new ATOM 0 HH22 ARG A 91 -1.999 -11.470 0.363 1.00 64.14 H new ATOM 1358 N LEU A 92 -6.695 -5.351 -0.545 1.00 62.55 N ATOM 1359 CA LEU A 92 -6.329 -5.186 -1.948 1.00 45.01 C ATOM 1360 C LEU A 92 -5.017 -4.430 -2.070 1.00 51.21 C ATOM 1361 O LEU A 92 -4.889 -3.312 -1.561 1.00 74.33 O ATOM 1362 CB LEU A 92 -7.409 -4.396 -2.699 1.00 53.31 C ATOM 1363 CG LEU A 92 -8.671 -5.162 -3.074 1.00 35.44 C ATOM 1364 CD1 LEU A 92 -9.778 -4.197 -3.457 1.00 64.43 C ATOM 1365 CD2 LEU A 92 -8.388 -6.108 -4.220 1.00 52.12 C ATOM 0 H LEU A 92 -6.585 -4.501 0.008 1.00 62.55 H new ATOM 0 HA LEU A 92 -6.228 -6.181 -2.381 1.00 45.01 H new ATOM 0 HB2 LEU A 92 -7.697 -3.543 -2.085 1.00 53.31 H new ATOM 0 HB3 LEU A 92 -6.967 -3.997 -3.612 1.00 53.31 H new ATOM 0 HG LEU A 92 -8.995 -5.743 -2.210 1.00 35.44 H new ATOM 0 HD11 LEU A 92 -10.674 -4.758 -3.723 1.00 64.43 H new ATOM 0 HD12 LEU A 92 -9.997 -3.541 -2.614 1.00 64.43 H new ATOM 0 HD13 LEU A 92 -9.459 -3.597 -4.310 1.00 64.43 H new ATOM 0 HD21 LEU A 92 -9.298 -6.649 -4.478 1.00 52.12 H new ATOM 0 HD22 LEU A 92 -8.046 -5.540 -5.085 1.00 52.12 H new ATOM 0 HD23 LEU A 92 -7.616 -6.818 -3.924 1.00 52.12 H new ATOM 1377 N TRP A 93 -4.054 -5.036 -2.749 1.00 11.44 N ATOM 1378 CA TRP A 93 -2.805 -4.360 -3.061 1.00 3.54 C ATOM 1379 C TRP A 93 -2.901 -3.685 -4.415 1.00 4.54 C ATOM 1380 O TRP A 93 -3.121 -4.338 -5.442 1.00 3.35 O ATOM 1381 CB TRP A 93 -1.621 -5.331 -3.059 1.00 1.12 C ATOM 1382 CG TRP A 93 -1.054 -5.613 -1.697 1.00 21.53 C ATOM 1383 CD1 TRP A 93 -1.094 -6.797 -1.026 1.00 23.31 C ATOM 1384 CD2 TRP A 93 -0.351 -4.692 -0.843 1.00 51.03 C ATOM 1385 NE1 TRP A 93 -0.457 -6.679 0.186 1.00 10.00 N ATOM 1386 CE2 TRP A 93 0.012 -5.400 0.320 1.00 43.13 C ATOM 1387 CE3 TRP A 93 0.023 -3.344 -0.952 1.00 43.24 C ATOM 1388 CZ2 TRP A 93 0.707 -4.805 1.371 1.00 71.32 C ATOM 1389 CZ3 TRP A 93 0.716 -2.757 0.090 1.00 63.42 C ATOM 1390 CH2 TRP A 93 1.058 -3.488 1.234 1.00 4.42 C ATOM 0 H TRP A 93 -4.114 -5.994 -3.094 1.00 11.44 H new ATOM 0 HA TRP A 93 -2.635 -3.612 -2.286 1.00 3.54 H new ATOM 0 HB2 TRP A 93 -1.937 -6.272 -3.510 1.00 1.12 H new ATOM 0 HB3 TRP A 93 -0.832 -4.924 -3.691 1.00 1.12 H new ATOM 0 HD1 TRP A 93 -1.560 -7.700 -1.394 1.00 23.31 H new ATOM 0 HE1 TRP A 93 -0.351 -7.424 0.874 1.00 10.00 H new ATOM 0 HE3 TRP A 93 -0.226 -2.775 -1.835 1.00 43.24 H new ATOM 0 HZ2 TRP A 93 0.960 -5.362 2.261 1.00 71.32 H new ATOM 0 HZ3 TRP A 93 0.998 -1.717 0.020 1.00 63.42 H new ATOM 0 HH2 TRP A 93 1.610 -3.003 2.025 1.00 4.42 H new ATOM 1401 N MET A 94 -2.774 -2.372 -4.397 1.00 52.14 N ATOM 1402 CA MET A 94 -2.763 -1.584 -5.612 1.00 10.31 C ATOM 1403 C MET A 94 -1.326 -1.254 -5.972 1.00 22.11 C ATOM 1404 O MET A 94 -0.645 -0.525 -5.245 1.00 40.34 O ATOM 1405 CB MET A 94 -3.568 -0.296 -5.448 1.00 31.00 C ATOM 1406 CG MET A 94 -5.004 -0.511 -5.011 1.00 22.31 C ATOM 1407 SD MET A 94 -5.929 1.032 -4.929 1.00 32.34 S ATOM 1408 CE MET A 94 -5.868 1.571 -6.639 1.00 33.32 C ATOM 0 H MET A 94 -2.676 -1.824 -3.542 1.00 52.14 H new ATOM 0 HA MET A 94 -3.227 -2.165 -6.409 1.00 10.31 H new ATOM 0 HB2 MET A 94 -3.069 0.340 -4.717 1.00 31.00 H new ATOM 0 HB3 MET A 94 -3.565 0.244 -6.395 1.00 31.00 H new ATOM 0 HG2 MET A 94 -5.496 -1.191 -5.707 1.00 22.31 H new ATOM 0 HG3 MET A 94 -5.016 -0.992 -4.033 1.00 22.31 H new ATOM 0 HE1 MET A 94 -6.708 2.236 -6.841 1.00 33.32 H new ATOM 0 HE2 MET A 94 -4.933 2.101 -6.820 1.00 33.32 H new ATOM 0 HE3 MET A 94 -5.926 0.703 -7.296 1.00 33.32 H new ATOM 1418 N PHE A 95 -0.867 -1.825 -7.080 1.00 54.02 N ATOM 1419 CA PHE A 95 0.499 -1.631 -7.556 1.00 70.14 C ATOM 1420 C PHE A 95 0.584 -0.379 -8.435 1.00 25.33 C ATOM 1421 O PHE A 95 1.615 0.291 -8.485 1.00 3.24 O ATOM 1422 CB PHE A 95 0.933 -2.887 -8.334 1.00 50.45 C ATOM 1423 CG PHE A 95 2.397 -2.951 -8.681 1.00 11.51 C ATOM 1424 CD1 PHE A 95 3.340 -3.198 -7.702 1.00 40.41 C ATOM 1425 CD2 PHE A 95 2.825 -2.778 -9.984 1.00 63.22 C ATOM 1426 CE1 PHE A 95 4.680 -3.273 -8.014 1.00 62.03 C ATOM 1427 CE2 PHE A 95 4.166 -2.850 -10.303 1.00 64.14 C ATOM 1428 CZ PHE A 95 5.094 -3.099 -9.313 1.00 72.53 C ATOM 0 H PHE A 95 -1.430 -2.435 -7.673 1.00 54.02 H new ATOM 0 HA PHE A 95 1.171 -1.483 -6.711 1.00 70.14 H new ATOM 0 HB2 PHE A 95 0.677 -3.767 -7.744 1.00 50.45 H new ATOM 0 HB3 PHE A 95 0.354 -2.942 -9.256 1.00 50.45 H new ATOM 0 HD1 PHE A 95 3.023 -3.334 -6.679 1.00 40.41 H new ATOM 0 HD2 PHE A 95 2.101 -2.584 -10.762 1.00 63.22 H new ATOM 0 HE1 PHE A 95 5.405 -3.469 -7.238 1.00 62.03 H new ATOM 0 HE2 PHE A 95 4.488 -2.712 -11.325 1.00 64.14 H new ATOM 0 HZ PHE A 95 6.144 -3.157 -9.558 1.00 72.53 H new ATOM 1438 N GLY A 96 -0.526 -0.071 -9.109 1.00 21.44 N ATOM 1439 CA GLY A 96 -0.573 1.056 -10.030 1.00 70.04 C ATOM 1440 C GLY A 96 -0.383 0.631 -11.475 1.00 15.32 C ATOM 1441 O GLY A 96 -0.516 1.441 -12.388 1.00 54.12 O ATOM 0 H GLY A 96 -1.402 -0.589 -9.031 1.00 21.44 H new ATOM 0 HA2 GLY A 96 -1.531 1.566 -9.927 1.00 70.04 H new ATOM 0 HA3 GLY A 96 0.201 1.774 -9.761 1.00 70.04 H new ATOM 1445 N ASP A 97 -0.099 -0.652 -11.659 1.00 14.24 N ATOM 1446 CA ASP A 97 0.135 -1.223 -12.973 1.00 75.21 C ATOM 1447 C ASP A 97 -0.701 -2.488 -13.127 1.00 64.22 C ATOM 1448 O ASP A 97 -0.526 -3.455 -12.371 1.00 60.21 O ATOM 1449 CB ASP A 97 1.626 -1.521 -13.185 1.00 43.50 C ATOM 1450 CG ASP A 97 1.937 -2.035 -14.578 1.00 31.31 C ATOM 1451 OD1 ASP A 97 2.044 -1.219 -15.513 1.00 54.22 O ATOM 1452 OD2 ASP A 97 2.103 -3.261 -14.739 1.00 70.25 O ATOM 0 H ASP A 97 -0.025 -1.326 -10.897 1.00 14.24 H new ATOM 0 HA ASP A 97 -0.164 -0.502 -13.734 1.00 75.21 H new ATOM 0 HB2 ASP A 97 2.202 -0.614 -13.002 1.00 43.50 H new ATOM 0 HB3 ASP A 97 1.951 -2.258 -12.451 1.00 43.50 H new ATOM 1457 N GLY A 98 -1.624 -2.461 -14.080 1.00 1.21 N ATOM 1458 CA GLY A 98 -2.456 -3.615 -14.354 1.00 11.23 C ATOM 1459 C GLY A 98 -3.704 -3.670 -13.493 1.00 2.03 C ATOM 1460 O GLY A 98 -4.329 -2.641 -13.216 1.00 41.02 O ATOM 0 H GLY A 98 -1.812 -1.652 -14.673 1.00 1.21 H new ATOM 0 HA2 GLY A 98 -2.747 -3.604 -15.404 1.00 11.23 H new ATOM 0 HA3 GLY A 98 -1.872 -4.522 -14.195 1.00 11.23 H new ATOM 1464 N ASN A 99 -4.054 -4.877 -13.080 1.00 70.25 N ATOM 1465 CA ASN A 99 -5.261 -5.109 -12.293 1.00 64.13 C ATOM 1466 C ASN A 99 -4.948 -5.202 -10.799 1.00 14.32 C ATOM 1467 O ASN A 99 -3.829 -5.523 -10.391 1.00 32.42 O ATOM 1468 CB ASN A 99 -6.020 -6.372 -12.768 1.00 12.42 C ATOM 1469 CG ASN A 99 -5.267 -7.681 -12.559 1.00 44.02 C ATOM 1470 OD1 ASN A 99 -5.397 -8.333 -11.520 1.00 55.31 O ATOM 1471 ND2 ASN A 99 -4.506 -8.093 -13.559 1.00 40.14 N ATOM 0 H ASN A 99 -3.516 -5.721 -13.277 1.00 70.25 H new ATOM 0 HA ASN A 99 -5.911 -4.248 -12.450 1.00 64.13 H new ATOM 0 HB2 ASN A 99 -6.972 -6.428 -12.240 1.00 12.42 H new ATOM 0 HB3 ASN A 99 -6.249 -6.265 -13.828 1.00 12.42 H new ATOM 0 HD21 ASN A 99 -4.002 -8.977 -13.486 1.00 40.14 H new ATOM 0 HD22 ASN A 99 -4.423 -7.527 -14.403 1.00 40.14 H new ATOM 1478 N THR A 100 -5.946 -4.879 -9.991 1.00 21.22 N ATOM 1479 CA THR A 100 -5.894 -5.113 -8.554 1.00 21.12 C ATOM 1480 C THR A 100 -6.418 -6.516 -8.246 1.00 12.35 C ATOM 1481 O THR A 100 -7.057 -7.123 -9.116 1.00 52.35 O ATOM 1482 CB THR A 100 -6.722 -4.057 -7.800 1.00 4.02 C ATOM 1483 OG1 THR A 100 -8.033 -3.959 -8.372 1.00 24.13 O ATOM 1484 CG2 THR A 100 -6.038 -2.706 -7.856 1.00 41.25 C ATOM 0 H THR A 100 -6.813 -4.448 -10.311 1.00 21.22 H new ATOM 0 HA THR A 100 -4.859 -5.033 -8.221 1.00 21.12 H new ATOM 0 HB THR A 100 -6.806 -4.365 -6.758 1.00 4.02 H new ATOM 0 HG1 THR A 100 -8.553 -3.286 -7.885 1.00 24.13 H new ATOM 0 HG21 THR A 100 -6.638 -1.972 -7.318 1.00 41.25 H new ATOM 0 HG22 THR A 100 -5.053 -2.778 -7.395 1.00 41.25 H new ATOM 0 HG23 THR A 100 -5.931 -2.395 -8.895 1.00 41.25 H new ATOM 1602 N THR A 109 8.321 -5.174 -7.196 1.00 62.21 N ATOM 1603 CA THR A 109 9.688 -5.084 -7.658 1.00 10.55 C ATOM 1604 C THR A 109 9.831 -3.896 -8.593 1.00 61.14 C ATOM 1605 O THR A 109 9.219 -3.852 -9.663 1.00 45.34 O ATOM 1606 CB THR A 109 10.116 -6.385 -8.378 1.00 74.54 C ATOM 1607 OG1 THR A 109 9.816 -7.518 -7.553 1.00 62.01 O ATOM 1608 CG2 THR A 109 11.607 -6.375 -8.693 1.00 13.01 C ATOM 0 HA THR A 109 10.339 -4.947 -6.795 1.00 10.55 H new ATOM 0 HB THR A 109 9.563 -6.449 -9.315 1.00 74.54 H new ATOM 0 HG1 THR A 109 8.955 -7.378 -7.106 1.00 62.01 H new ATOM 0 HG21 THR A 109 11.878 -7.302 -9.199 1.00 13.01 H new ATOM 0 HG22 THR A 109 11.837 -5.528 -9.340 1.00 13.01 H new ATOM 0 HG23 THR A 109 12.174 -6.288 -7.766 1.00 13.01 H new ATOM 1616 N PHE A 110 10.625 -2.928 -8.169 1.00 44.13 N ATOM 1617 CA PHE A 110 10.806 -1.706 -8.925 1.00 73.33 C ATOM 1618 C PHE A 110 12.182 -1.689 -9.576 1.00 20.32 C ATOM 1619 O PHE A 110 13.192 -1.436 -8.923 1.00 72.45 O ATOM 1620 CB PHE A 110 10.600 -0.481 -8.019 1.00 35.13 C ATOM 1621 CG PHE A 110 9.258 -0.463 -7.327 1.00 32.13 C ATOM 1622 CD1 PHE A 110 8.109 -0.111 -8.016 1.00 72.02 C ATOM 1623 CD2 PHE A 110 9.146 -0.811 -5.991 1.00 62.33 C ATOM 1624 CE1 PHE A 110 6.878 -0.103 -7.384 1.00 12.11 C ATOM 1625 CE2 PHE A 110 7.920 -0.803 -5.354 1.00 55.40 C ATOM 1626 CZ PHE A 110 6.784 -0.451 -6.052 1.00 35.11 C ATOM 0 H PHE A 110 11.157 -2.968 -7.299 1.00 44.13 H new ATOM 0 HA PHE A 110 10.059 -1.664 -9.717 1.00 73.33 H new ATOM 0 HB2 PHE A 110 11.388 -0.459 -7.267 1.00 35.13 H new ATOM 0 HB3 PHE A 110 10.704 0.425 -8.617 1.00 35.13 H new ATOM 0 HD1 PHE A 110 8.175 0.161 -9.059 1.00 72.02 H new ATOM 0 HD2 PHE A 110 10.030 -1.093 -5.439 1.00 62.33 H new ATOM 0 HE1 PHE A 110 5.991 0.176 -7.933 1.00 12.11 H new ATOM 0 HE2 PHE A 110 7.851 -1.072 -4.310 1.00 55.40 H new ATOM 0 HZ PHE A 110 5.824 -0.448 -5.558 1.00 35.11 H new ATOM 1636 N PHE A 111 12.208 -2.006 -10.870 1.00 14.34 N ATOM 1637 CA PHE A 111 13.442 -1.966 -11.662 1.00 34.23 C ATOM 1638 C PHE A 111 13.716 -0.542 -12.151 1.00 71.25 C ATOM 1639 O PHE A 111 14.848 -0.194 -12.492 1.00 61.43 O ATOM 1640 CB PHE A 111 13.356 -2.893 -12.889 1.00 61.44 C ATOM 1641 CG PHE A 111 13.147 -4.357 -12.593 1.00 11.21 C ATOM 1642 CD1 PHE A 111 14.210 -5.164 -12.220 1.00 72.43 C ATOM 1643 CD2 PHE A 111 11.892 -4.930 -12.722 1.00 32.33 C ATOM 1644 CE1 PHE A 111 14.022 -6.513 -11.979 1.00 34.02 C ATOM 1645 CE2 PHE A 111 11.698 -6.275 -12.479 1.00 23.44 C ATOM 1646 CZ PHE A 111 12.765 -7.069 -12.109 1.00 12.11 C ATOM 0 H PHE A 111 11.384 -2.295 -11.397 1.00 14.34 H new ATOM 0 HA PHE A 111 14.250 -2.305 -11.014 1.00 34.23 H new ATOM 0 HB2 PHE A 111 12.539 -2.550 -13.523 1.00 61.44 H new ATOM 0 HB3 PHE A 111 14.274 -2.786 -13.466 1.00 61.44 H new ATOM 0 HD1 PHE A 111 15.196 -4.735 -12.116 1.00 72.43 H new ATOM 0 HD2 PHE A 111 11.054 -4.316 -13.017 1.00 32.33 H new ATOM 0 HE1 PHE A 111 14.859 -7.131 -11.689 1.00 34.02 H new ATOM 0 HE2 PHE A 111 10.713 -6.706 -12.578 1.00 23.44 H new ATOM 0 HZ PHE A 111 12.617 -8.122 -11.922 1.00 12.11 H new ATOM 1656 N ASN A 112 12.666 0.269 -12.180 1.00 4.41 N ATOM 1657 CA ASN A 112 12.751 1.642 -12.635 1.00 10.31 C ATOM 1658 C ASN A 112 12.540 2.580 -11.451 1.00 51.20 C ATOM 1659 O ASN A 112 11.790 2.259 -10.526 1.00 3.34 O ATOM 1660 CB ASN A 112 11.687 1.884 -13.718 1.00 40.21 C ATOM 1661 CG ASN A 112 11.853 3.186 -14.483 1.00 63.33 C ATOM 1662 OD1 ASN A 112 13.090 3.598 -14.724 1.00 23.11 O flip ATOM 1663 ND2 ASN A 112 10.870 3.807 -14.878 1.00 53.33 N flip ATOM 0 H ASN A 112 11.730 -0.012 -11.887 1.00 4.41 H new ATOM 0 HA ASN A 112 13.735 1.836 -13.062 1.00 10.31 H new ATOM 0 HB2 ASN A 112 11.712 1.055 -14.426 1.00 40.21 H new ATOM 0 HB3 ASN A 112 10.702 1.875 -13.251 1.00 40.21 H new ATOM 0 HD21 ASN A 112 9.932 3.461 -14.674 1.00 53.33 H new ATOM 0 HD22 ASN A 112 10.991 4.669 -15.410 1.00 53.33 H new ATOM 1670 N GLU A 113 13.220 3.718 -11.474 1.00 71.30 N ATOM 1671 CA GLU A 113 12.997 4.771 -10.494 1.00 14.33 C ATOM 1672 C GLU A 113 11.878 5.712 -10.970 1.00 40.34 C ATOM 1673 O GLU A 113 11.400 5.608 -12.105 1.00 23.33 O ATOM 1674 CB GLU A 113 14.293 5.549 -10.242 1.00 72.30 C ATOM 1675 CG GLU A 113 14.913 6.166 -11.489 1.00 23.40 C ATOM 1676 CD GLU A 113 16.080 7.063 -11.161 1.00 40.53 C ATOM 1677 OE1 GLU A 113 15.856 8.270 -10.950 1.00 41.03 O ATOM 1678 OE2 GLU A 113 17.220 6.572 -11.124 1.00 41.04 O ATOM 0 H GLU A 113 13.936 3.936 -12.167 1.00 71.30 H new ATOM 0 HA GLU A 113 12.686 4.316 -9.554 1.00 14.33 H new ATOM 0 HB2 GLU A 113 14.091 6.342 -9.522 1.00 72.30 H new ATOM 0 HB3 GLU A 113 15.020 4.879 -9.784 1.00 72.30 H new ATOM 0 HG2 GLU A 113 15.244 5.372 -12.159 1.00 23.40 H new ATOM 0 HG3 GLU A 113 14.156 6.739 -12.024 1.00 23.40 H new ATOM 1685 N GLY A 114 11.474 6.627 -10.109 1.00 3.53 N ATOM 1686 CA GLY A 114 10.394 7.534 -10.436 1.00 52.34 C ATOM 1687 C GLY A 114 9.434 7.691 -9.280 1.00 11.33 C ATOM 1688 O GLY A 114 9.771 7.366 -8.139 1.00 42.32 O ATOM 0 H GLY A 114 11.877 6.760 -9.181 1.00 3.53 H new ATOM 0 HA2 GLY A 114 10.804 8.508 -10.705 1.00 52.34 H new ATOM 0 HA3 GLY A 114 9.857 7.162 -11.309 1.00 52.34 H new ATOM 1692 N GLU A 115 8.236 8.170 -9.568 1.00 64.20 N ATOM 1693 CA GLU A 115 7.225 8.359 -8.546 1.00 64.31 C ATOM 1694 C GLU A 115 6.194 7.237 -8.637 1.00 12.35 C ATOM 1695 O GLU A 115 5.556 7.046 -9.674 1.00 5.54 O ATOM 1696 CB GLU A 115 6.553 9.721 -8.726 1.00 60.20 C ATOM 1697 CG GLU A 115 5.601 10.098 -7.604 1.00 2.23 C ATOM 1698 CD GLU A 115 4.803 11.330 -7.930 1.00 52.41 C ATOM 1699 OE1 GLU A 115 3.740 11.194 -8.567 1.00 32.23 O ATOM 1700 OE2 GLU A 115 5.238 12.430 -7.560 1.00 45.20 O ATOM 0 H GLU A 115 7.940 8.436 -10.507 1.00 64.20 H new ATOM 0 HA GLU A 115 7.691 8.331 -7.561 1.00 64.31 H new ATOM 0 HB2 GLU A 115 7.325 10.487 -8.806 1.00 60.20 H new ATOM 0 HB3 GLU A 115 6.005 9.722 -9.668 1.00 60.20 H new ATOM 0 HG2 GLU A 115 4.922 9.267 -7.411 1.00 2.23 H new ATOM 0 HG3 GLU A 115 6.168 10.266 -6.689 1.00 2.23 H new ATOM 1707 N TYR A 116 6.065 6.479 -7.561 1.00 43.20 N ATOM 1708 CA TYR A 116 5.082 5.408 -7.478 1.00 23.24 C ATOM 1709 C TYR A 116 4.151 5.677 -6.315 1.00 34.23 C ATOM 1710 O TYR A 116 4.582 6.185 -5.286 1.00 55.34 O ATOM 1711 CB TYR A 116 5.761 4.047 -7.274 1.00 34.12 C ATOM 1712 CG TYR A 116 6.627 3.599 -8.427 1.00 64.22 C ATOM 1713 CD1 TYR A 116 6.081 2.907 -9.499 1.00 73.14 C ATOM 1714 CD2 TYR A 116 7.993 3.862 -8.441 1.00 54.04 C ATOM 1715 CE1 TYR A 116 6.870 2.484 -10.549 1.00 52.24 C ATOM 1716 CE2 TYR A 116 8.787 3.447 -9.488 1.00 14.30 C ATOM 1717 CZ TYR A 116 8.221 2.758 -10.540 1.00 12.20 C ATOM 1718 OH TYR A 116 9.008 2.342 -11.585 1.00 31.11 O ATOM 0 H TYR A 116 6.636 6.587 -6.722 1.00 43.20 H new ATOM 0 HA TYR A 116 4.525 5.379 -8.414 1.00 23.24 H new ATOM 0 HB2 TYR A 116 6.373 4.092 -6.373 1.00 34.12 H new ATOM 0 HB3 TYR A 116 4.992 3.294 -7.100 1.00 34.12 H new ATOM 0 HD1 TYR A 116 5.022 2.696 -9.512 1.00 73.14 H new ATOM 0 HD2 TYR A 116 8.439 4.400 -7.618 1.00 54.04 H new ATOM 0 HE1 TYR A 116 6.432 1.941 -11.373 1.00 52.24 H new ATOM 0 HE2 TYR A 116 9.846 3.660 -9.485 1.00 14.30 H new ATOM 0 HH TYR A 116 9.938 2.266 -11.284 1.00 31.11 H new ATOM 1728 N ILE A 117 2.877 5.369 -6.474 1.00 34.45 N ATOM 1729 CA ILE A 117 1.947 5.508 -5.368 1.00 22.14 C ATOM 1730 C ILE A 117 1.447 4.131 -4.947 1.00 1.21 C ATOM 1731 O ILE A 117 0.812 3.414 -5.727 1.00 64.42 O ATOM 1732 CB ILE A 117 0.749 6.448 -5.679 1.00 13.12 C ATOM 1733 CG1 ILE A 117 1.242 7.800 -6.209 1.00 52.01 C ATOM 1734 CG2 ILE A 117 -0.073 6.664 -4.410 1.00 3.21 C ATOM 1735 CD1 ILE A 117 0.150 8.680 -6.787 1.00 51.24 C ATOM 0 H ILE A 117 2.467 5.026 -7.343 1.00 34.45 H new ATOM 0 HA ILE A 117 2.493 5.978 -4.550 1.00 22.14 H new ATOM 0 HB ILE A 117 0.130 5.981 -6.445 1.00 13.12 H new ATOM 0 HG12 ILE A 117 1.734 8.337 -5.398 1.00 52.01 H new ATOM 0 HG13 ILE A 117 1.995 7.623 -6.977 1.00 52.01 H new ATOM 0 HG21 ILE A 117 -0.913 7.323 -4.628 1.00 3.21 H new ATOM 0 HG22 ILE A 117 -0.448 5.705 -4.052 1.00 3.21 H new ATOM 0 HG23 ILE A 117 0.554 7.118 -3.643 1.00 3.21 H new ATOM 0 HD11 ILE A 117 0.585 9.616 -7.138 1.00 51.24 H new ATOM 0 HD12 ILE A 117 -0.328 8.166 -7.621 1.00 51.24 H new ATOM 0 HD13 ILE A 117 -0.592 8.891 -6.017 1.00 51.24 H new ATOM 1747 N VAL A 118 1.772 3.766 -3.718 1.00 65.40 N ATOM 1748 CA VAL A 118 1.394 2.478 -3.167 1.00 20.01 C ATOM 1749 C VAL A 118 0.145 2.627 -2.317 1.00 53.40 C ATOM 1750 O VAL A 118 0.114 3.416 -1.370 1.00 14.13 O ATOM 1751 CB VAL A 118 2.544 1.866 -2.333 1.00 75.24 C ATOM 1752 CG1 VAL A 118 2.157 0.513 -1.742 1.00 42.42 C ATOM 1753 CG2 VAL A 118 3.795 1.734 -3.186 1.00 23.31 C ATOM 0 H VAL A 118 2.304 4.354 -3.076 1.00 65.40 H new ATOM 0 HA VAL A 118 1.186 1.799 -3.994 1.00 20.01 H new ATOM 0 HB VAL A 118 2.747 2.540 -1.501 1.00 75.24 H new ATOM 0 HG11 VAL A 118 2.991 0.117 -1.164 1.00 42.42 H new ATOM 0 HG12 VAL A 118 1.290 0.634 -1.092 1.00 42.42 H new ATOM 0 HG13 VAL A 118 1.913 -0.179 -2.548 1.00 42.42 H new ATOM 0 HG21 VAL A 118 4.598 1.302 -2.589 1.00 23.31 H new ATOM 0 HG22 VAL A 118 3.588 1.087 -4.038 1.00 23.31 H new ATOM 0 HG23 VAL A 118 4.097 2.718 -3.543 1.00 23.31 H new ATOM 1763 N SER A 119 -0.876 1.867 -2.667 1.00 44.23 N ATOM 1764 CA SER A 119 -2.135 1.928 -1.970 1.00 72.23 C ATOM 1765 C SER A 119 -2.523 0.553 -1.448 1.00 2.22 C ATOM 1766 O SER A 119 -2.537 -0.429 -2.188 1.00 63.41 O ATOM 1767 CB SER A 119 -3.211 2.479 -2.907 1.00 72.34 C ATOM 1768 OG SER A 119 -4.489 2.508 -2.290 1.00 23.03 O ATOM 0 H SER A 119 -0.851 1.198 -3.436 1.00 44.23 H new ATOM 0 HA SER A 119 -2.039 2.595 -1.113 1.00 72.23 H new ATOM 0 HB2 SER A 119 -2.937 3.486 -3.221 1.00 72.34 H new ATOM 0 HB3 SER A 119 -3.257 1.866 -3.807 1.00 72.34 H new ATOM 0 HG SER A 119 -5.154 2.122 -2.897 1.00 23.03 H new ATOM 1774 N LEU A 120 -2.805 0.493 -0.166 1.00 23.04 N ATOM 1775 CA LEU A 120 -3.416 -0.673 0.427 1.00 44.33 C ATOM 1776 C LEU A 120 -4.806 -0.279 0.889 1.00 75.51 C ATOM 1777 O LEU A 120 -4.965 0.575 1.761 1.00 32.45 O ATOM 1778 CB LEU A 120 -2.563 -1.219 1.588 1.00 13.25 C ATOM 1779 CG LEU A 120 -3.124 -2.435 2.354 1.00 43.42 C ATOM 1780 CD1 LEU A 120 -3.371 -3.623 1.433 1.00 52.54 C ATOM 1781 CD2 LEU A 120 -2.168 -2.832 3.450 1.00 21.34 C ATOM 0 H LEU A 120 -2.618 1.249 0.492 1.00 23.04 H new ATOM 0 HA LEU A 120 -3.484 -1.478 -0.304 1.00 44.33 H new ATOM 0 HB2 LEU A 120 -1.584 -1.490 1.192 1.00 13.25 H new ATOM 0 HB3 LEU A 120 -2.405 -0.411 2.303 1.00 13.25 H new ATOM 0 HG LEU A 120 -4.082 -2.143 2.783 1.00 43.42 H new ATOM 0 HD11 LEU A 120 -3.766 -4.457 2.013 1.00 52.54 H new ATOM 0 HD12 LEU A 120 -4.091 -3.343 0.664 1.00 52.54 H new ATOM 0 HD13 LEU A 120 -2.434 -3.920 0.962 1.00 52.54 H new ATOM 0 HD21 LEU A 120 -2.568 -3.691 3.988 1.00 21.34 H new ATOM 0 HD22 LEU A 120 -1.204 -3.094 3.015 1.00 21.34 H new ATOM 0 HD23 LEU A 120 -2.040 -1.999 4.141 1.00 21.34 H new ATOM 1793 N ILE A 121 -5.807 -0.878 0.271 1.00 0.11 N ATOM 1794 CA ILE A 121 -7.187 -0.599 0.609 1.00 64.13 C ATOM 1795 C ILE A 121 -7.823 -1.872 1.144 1.00 33.32 C ATOM 1796 O ILE A 121 -7.705 -2.935 0.551 1.00 21.13 O ATOM 1797 CB ILE A 121 -8.005 0.000 -0.591 1.00 53.15 C ATOM 1798 CG1 ILE A 121 -9.510 0.080 -0.236 1.00 4.32 C ATOM 1799 CG2 ILE A 121 -7.777 -0.781 -1.889 1.00 42.14 C ATOM 1800 CD1 ILE A 121 -10.373 0.787 -1.257 1.00 14.42 C ATOM 0 H ILE A 121 -5.687 -1.566 -0.473 1.00 0.11 H new ATOM 0 HA ILE A 121 -7.204 0.174 1.378 1.00 64.13 H new ATOM 0 HB ILE A 121 -7.640 1.012 -0.767 1.00 53.15 H new ATOM 0 HG12 ILE A 121 -9.890 -0.933 -0.101 1.00 4.32 H new ATOM 0 HG13 ILE A 121 -9.615 0.590 0.721 1.00 4.32 H new ATOM 0 HG21 ILE A 121 -8.362 -0.332 -2.692 1.00 42.14 H new ATOM 0 HG22 ILE A 121 -6.719 -0.751 -2.151 1.00 42.14 H new ATOM 0 HG23 ILE A 121 -8.087 -1.817 -1.750 1.00 42.14 H new ATOM 0 HD11 ILE A 121 -11.409 0.791 -0.918 1.00 14.42 H new ATOM 0 HD12 ILE A 121 -10.027 1.814 -1.378 1.00 14.42 H new ATOM 0 HD13 ILE A 121 -10.306 0.267 -2.213 1.00 14.42 H new ATOM 1812 N VAL A 122 -8.463 -1.767 2.284 1.00 24.14 N ATOM 1813 CA VAL A 122 -9.104 -2.908 2.893 1.00 23.10 C ATOM 1814 C VAL A 122 -10.608 -2.721 2.874 1.00 21.03 C ATOM 1815 O VAL A 122 -11.112 -1.598 2.858 1.00 43.24 O ATOM 1816 CB VAL A 122 -8.595 -3.187 4.329 1.00 4.14 C ATOM 1817 CG1 VAL A 122 -7.133 -3.590 4.297 1.00 35.42 C ATOM 1818 CG2 VAL A 122 -8.781 -1.991 5.247 1.00 23.02 C ATOM 0 H VAL A 122 -8.554 -0.898 2.811 1.00 24.14 H new ATOM 0 HA VAL A 122 -8.841 -3.786 2.303 1.00 23.10 H new ATOM 0 HB VAL A 122 -9.193 -4.005 4.730 1.00 4.14 H new ATOM 0 HG11 VAL A 122 -6.787 -3.783 5.312 1.00 35.42 H new ATOM 0 HG12 VAL A 122 -7.017 -4.492 3.696 1.00 35.42 H new ATOM 0 HG13 VAL A 122 -6.543 -2.785 3.860 1.00 35.42 H new ATOM 0 HG21 VAL A 122 -8.409 -2.235 6.242 1.00 23.02 H new ATOM 0 HG22 VAL A 122 -8.227 -1.139 4.852 1.00 23.02 H new ATOM 0 HG23 VAL A 122 -9.840 -1.739 5.307 1.00 23.02 H new ATOM 1828 N SER A 123 -11.321 -3.824 2.858 1.00 54.11 N ATOM 1829 CA SER A 123 -12.752 -3.797 2.660 1.00 35.34 C ATOM 1830 C SER A 123 -13.446 -4.414 3.859 1.00 3.42 C ATOM 1831 O SER A 123 -12.902 -5.315 4.494 1.00 11.52 O ATOM 1832 CB SER A 123 -13.114 -4.563 1.391 1.00 32.41 C ATOM 1833 OG SER A 123 -12.263 -4.190 0.317 1.00 42.24 O ATOM 0 H SER A 123 -10.929 -4.758 2.981 1.00 54.11 H new ATOM 0 HA SER A 123 -13.081 -2.763 2.553 1.00 35.34 H new ATOM 0 HB2 SER A 123 -13.031 -5.635 1.572 1.00 32.41 H new ATOM 0 HB3 SER A 123 -14.152 -4.364 1.124 1.00 32.41 H new ATOM 0 HG SER A 123 -12.510 -4.694 -0.487 1.00 42.24 H new ATOM 1839 N ASN A 124 -14.632 -3.910 4.164 1.00 54.40 N ATOM 1840 CA ASN A 124 -15.438 -4.380 5.282 1.00 74.15 C ATOM 1841 C ASN A 124 -16.906 -4.046 4.974 1.00 14.32 C ATOM 1842 O ASN A 124 -17.172 -3.256 4.064 1.00 10.34 O ATOM 1843 CB ASN A 124 -14.912 -3.723 6.584 1.00 21.32 C ATOM 1844 CG ASN A 124 -15.751 -3.936 7.831 1.00 53.34 C ATOM 1845 OD1 ASN A 124 -16.595 -3.109 8.153 1.00 1.53 O ATOM 1846 ND2 ASN A 124 -15.517 -5.026 8.536 1.00 23.12 N ATOM 0 H ASN A 124 -15.068 -3.154 3.636 1.00 54.40 H new ATOM 0 HA ASN A 124 -15.368 -5.458 5.426 1.00 74.15 H new ATOM 0 HB2 ASN A 124 -13.909 -4.103 6.778 1.00 21.32 H new ATOM 0 HB3 ASN A 124 -14.820 -2.650 6.413 1.00 21.32 H new ATOM 0 HD21 ASN A 124 -16.049 -5.207 9.387 1.00 23.12 H new ATOM 0 HD22 ASN A 124 -14.804 -5.688 8.230 1.00 23.12 H new ATOM 1853 N GLU A 125 -17.845 -4.638 5.719 1.00 62.41 N ATOM 1854 CA GLU A 125 -19.282 -4.513 5.459 1.00 34.15 C ATOM 1855 C GLU A 125 -19.826 -3.101 5.755 1.00 12.51 C ATOM 1856 O GLU A 125 -20.806 -2.670 5.139 1.00 44.01 O ATOM 1857 CB GLU A 125 -20.041 -5.569 6.281 1.00 34.30 C ATOM 1858 CG GLU A 125 -19.673 -5.589 7.763 1.00 3.43 C ATOM 1859 CD GLU A 125 -20.395 -6.661 8.537 1.00 43.42 C ATOM 1860 OE1 GLU A 125 -19.890 -7.797 8.597 1.00 30.33 O ATOM 1861 OE2 GLU A 125 -21.464 -6.373 9.101 1.00 14.24 O ATOM 0 H GLU A 125 -17.627 -5.222 6.526 1.00 62.41 H new ATOM 0 HA GLU A 125 -19.440 -4.683 4.394 1.00 34.15 H new ATOM 0 HB2 GLU A 125 -21.112 -5.387 6.186 1.00 34.30 H new ATOM 0 HB3 GLU A 125 -19.846 -6.554 5.856 1.00 34.30 H new ATOM 0 HG2 GLU A 125 -18.598 -5.739 7.862 1.00 3.43 H new ATOM 0 HG3 GLU A 125 -19.901 -4.617 8.201 1.00 3.43 H new ATOM 1868 N ASN A 126 -19.169 -2.376 6.661 1.00 74.42 N ATOM 1869 CA ASN A 126 -19.636 -1.061 7.078 1.00 70.52 C ATOM 1870 C ASN A 126 -19.018 0.011 6.204 1.00 34.14 C ATOM 1871 O ASN A 126 -19.721 0.875 5.675 1.00 34.21 O ATOM 1872 CB ASN A 126 -19.292 -0.782 8.548 1.00 40.21 C ATOM 1873 CG ASN A 126 -19.861 -1.812 9.505 1.00 73.43 C ATOM 1874 OD1 ASN A 126 -21.009 -1.710 9.928 1.00 21.25 O ATOM 1875 ND2 ASN A 126 -19.051 -2.785 9.884 1.00 34.12 N ATOM 0 H ASN A 126 -18.310 -2.681 7.119 1.00 74.42 H new ATOM 0 HA ASN A 126 -20.721 -1.046 6.971 1.00 70.52 H new ATOM 0 HB2 ASN A 126 -18.208 -0.752 8.661 1.00 40.21 H new ATOM 0 HB3 ASN A 126 -19.668 0.204 8.821 1.00 40.21 H new ATOM 0 HD21 ASN A 126 -19.373 -3.486 10.551 1.00 34.12 H new ATOM 0 HD22 ASN A 126 -18.104 -2.835 9.509 1.00 34.12 H new ATOM 1882 N ASP A 127 -17.704 -0.072 6.026 1.00 64.53 N ATOM 1883 CA ASP A 127 -16.967 0.934 5.283 1.00 50.40 C ATOM 1884 C ASP A 127 -15.716 0.302 4.691 1.00 75.42 C ATOM 1885 O ASP A 127 -15.310 -0.777 5.114 1.00 50.13 O ATOM 1886 CB ASP A 127 -16.603 2.109 6.215 1.00 14.50 C ATOM 1887 CG ASP A 127 -16.234 3.379 5.472 1.00 4.20 C ATOM 1888 OD1 ASP A 127 -16.972 3.762 4.545 1.00 4.52 O ATOM 1889 OD2 ASP A 127 -15.208 3.996 5.818 1.00 41.14 O ATOM 0 H ASP A 127 -17.128 -0.831 6.390 1.00 64.53 H new ATOM 0 HA ASP A 127 -17.582 1.322 4.471 1.00 50.40 H new ATOM 0 HB2 ASP A 127 -17.447 2.315 6.873 1.00 14.50 H new ATOM 0 HB3 ASP A 127 -15.768 1.813 6.850 1.00 14.50 H new ATOM 1894 N SER A 128 -15.141 0.943 3.691 1.00 43.32 N ATOM 1895 CA SER A 128 -13.840 0.564 3.183 1.00 11.35 C ATOM 1896 C SER A 128 -12.829 1.633 3.552 1.00 42.55 C ATOM 1897 O SER A 128 -13.054 2.822 3.317 1.00 53.01 O ATOM 1898 CB SER A 128 -13.897 0.369 1.673 1.00 4.42 C ATOM 1899 OG SER A 128 -14.753 1.324 1.077 1.00 22.03 O ATOM 0 H SER A 128 -15.562 1.738 3.211 1.00 43.32 H new ATOM 0 HA SER A 128 -13.535 -0.382 3.631 1.00 11.35 H new ATOM 0 HB2 SER A 128 -12.896 0.458 1.252 1.00 4.42 H new ATOM 0 HB3 SER A 128 -14.251 -0.636 1.444 1.00 4.42 H new ATOM 0 HG SER A 128 -14.775 1.184 0.107 1.00 22.03 H new ATOM 1905 N ASP A 129 -11.715 1.205 4.123 1.00 44.24 N ATOM 1906 CA ASP A 129 -10.696 2.133 4.593 1.00 64.11 C ATOM 1907 C ASP A 129 -9.446 1.950 3.754 1.00 4.42 C ATOM 1908 O ASP A 129 -9.102 0.827 3.411 1.00 40.13 O ATOM 1909 CB ASP A 129 -10.397 1.875 6.075 1.00 43.35 C ATOM 1910 CG ASP A 129 -9.621 2.993 6.732 1.00 73.12 C ATOM 1911 OD1 ASP A 129 -10.251 3.963 7.188 1.00 35.51 O ATOM 1912 OD2 ASP A 129 -8.387 2.894 6.814 1.00 25.24 O ATOM 0 H ASP A 129 -11.492 0.221 4.273 1.00 44.24 H new ATOM 0 HA ASP A 129 -11.050 3.159 4.493 1.00 64.11 H new ATOM 0 HB2 ASP A 129 -11.337 1.732 6.608 1.00 43.35 H new ATOM 0 HB3 ASP A 129 -9.833 0.947 6.168 1.00 43.35 H new ATOM 1917 N SER A 130 -8.782 3.038 3.391 1.00 65.25 N ATOM 1918 CA SER A 130 -7.582 2.942 2.578 1.00 64.44 C ATOM 1919 C SER A 130 -6.479 3.870 3.069 1.00 11.43 C ATOM 1920 O SER A 130 -6.743 4.930 3.642 1.00 3.45 O ATOM 1921 CB SER A 130 -7.924 3.235 1.119 1.00 23.30 C ATOM 1922 OG SER A 130 -8.686 4.426 0.990 1.00 44.21 O ATOM 0 H SER A 130 -9.052 3.988 3.645 1.00 65.25 H new ATOM 0 HA SER A 130 -7.200 1.925 2.664 1.00 64.44 H new ATOM 0 HB2 SER A 130 -7.005 3.326 0.540 1.00 23.30 H new ATOM 0 HB3 SER A 130 -8.483 2.398 0.700 1.00 23.30 H new ATOM 0 HG SER A 130 -8.886 4.585 0.044 1.00 44.21 H new ATOM 1928 N ALA A 131 -5.242 3.435 2.858 1.00 4.14 N ATOM 1929 CA ALA A 131 -4.068 4.250 3.121 1.00 3.22 C ATOM 1930 C ALA A 131 -3.188 4.267 1.883 1.00 63.13 C ATOM 1931 O ALA A 131 -3.096 3.260 1.168 1.00 0.24 O ATOM 1932 CB ALA A 131 -3.292 3.720 4.316 1.00 4.12 C ATOM 0 H ALA A 131 -5.027 2.505 2.499 1.00 4.14 H new ATOM 0 HA ALA A 131 -4.387 5.265 3.358 1.00 3.22 H new ATOM 0 HB1 ALA A 131 -2.419 4.348 4.490 1.00 4.12 H new ATOM 0 HB2 ALA A 131 -3.931 3.733 5.199 1.00 4.12 H new ATOM 0 HB3 ALA A 131 -2.970 2.698 4.116 1.00 4.12 H new ATOM 1938 N SER A 132 -2.543 5.393 1.627 1.00 25.24 N ATOM 1939 CA SER A 132 -1.762 5.558 0.418 1.00 2.33 C ATOM 1940 C SER A 132 -0.519 6.392 0.714 1.00 21.10 C ATOM 1941 O SER A 132 -0.585 7.364 1.473 1.00 0.04 O ATOM 1942 CB SER A 132 -2.623 6.239 -0.651 1.00 54.33 C ATOM 1943 OG SER A 132 -2.085 6.062 -1.942 1.00 12.40 O ATOM 0 H SER A 132 -2.546 6.206 2.243 1.00 25.24 H new ATOM 0 HA SER A 132 -1.444 4.583 0.050 1.00 2.33 H new ATOM 0 HB2 SER A 132 -3.634 5.832 -0.619 1.00 54.33 H new ATOM 0 HB3 SER A 132 -2.701 7.304 -0.432 1.00 54.33 H new ATOM 0 HG SER A 132 -2.659 6.507 -2.600 1.00 12.40 H new ATOM 1949 N VAL A 133 0.618 6.003 0.140 1.00 51.43 N ATOM 1950 CA VAL A 133 1.873 6.731 0.338 1.00 51.21 C ATOM 1951 C VAL A 133 2.502 7.024 -1.018 1.00 32.11 C ATOM 1952 O VAL A 133 2.591 6.135 -1.873 1.00 21.11 O ATOM 1953 CB VAL A 133 2.909 5.943 1.208 1.00 0.15 C ATOM 1954 CG1 VAL A 133 4.132 6.793 1.533 1.00 4.31 C ATOM 1955 CG2 VAL A 133 2.300 5.428 2.497 1.00 70.03 C ATOM 0 H VAL A 133 0.697 5.187 -0.467 1.00 51.43 H new ATOM 0 HA VAL A 133 1.626 7.649 0.872 1.00 51.21 H new ATOM 0 HB VAL A 133 3.219 5.089 0.606 1.00 0.15 H new ATOM 0 HG11 VAL A 133 4.828 6.212 2.138 1.00 4.31 H new ATOM 0 HG12 VAL A 133 4.621 7.096 0.607 1.00 4.31 H new ATOM 0 HG13 VAL A 133 3.822 7.679 2.087 1.00 4.31 H new ATOM 0 HG21 VAL A 133 3.056 4.888 3.067 1.00 70.03 H new ATOM 0 HG22 VAL A 133 1.932 6.268 3.087 1.00 70.03 H new ATOM 0 HG23 VAL A 133 1.473 4.757 2.266 1.00 70.03 H new ATOM 1965 N THR A 134 2.914 8.271 -1.214 1.00 32.42 N ATOM 1966 CA THR A 134 3.690 8.650 -2.377 1.00 40.20 C ATOM 1967 C THR A 134 5.160 8.278 -2.149 1.00 42.21 C ATOM 1968 O THR A 134 5.840 8.849 -1.292 1.00 70.43 O ATOM 1969 CB THR A 134 3.558 10.160 -2.662 1.00 42.41 C ATOM 1970 OG1 THR A 134 2.171 10.529 -2.673 1.00 4.11 O ATOM 1971 CG2 THR A 134 4.186 10.534 -4.001 1.00 51.33 C ATOM 0 H THR A 134 2.718 9.040 -0.573 1.00 32.42 H new ATOM 0 HA THR A 134 3.308 8.113 -3.245 1.00 40.20 H new ATOM 0 HB THR A 134 4.086 10.697 -1.874 1.00 42.41 H new ATOM 0 HG1 THR A 134 2.089 11.489 -2.852 1.00 4.11 H new ATOM 0 HG21 THR A 134 4.074 11.605 -4.169 1.00 51.33 H new ATOM 0 HG22 THR A 134 5.245 10.277 -3.991 1.00 51.33 H new ATOM 0 HG23 THR A 134 3.688 9.988 -4.802 1.00 51.33 H new ATOM 1979 N ILE A 135 5.612 7.286 -2.893 1.00 33.15 N ATOM 1980 CA ILE A 135 6.974 6.782 -2.803 1.00 24.12 C ATOM 1981 C ILE A 135 7.813 7.457 -3.883 1.00 32.14 C ATOM 1982 O ILE A 135 7.524 7.314 -5.076 1.00 65.34 O ATOM 1983 CB ILE A 135 7.023 5.234 -3.012 1.00 75.25 C ATOM 1984 CG1 ILE A 135 6.003 4.504 -2.108 1.00 22.30 C ATOM 1985 CG2 ILE A 135 8.434 4.682 -2.785 1.00 2.14 C ATOM 1986 CD1 ILE A 135 6.234 4.652 -0.615 1.00 43.41 C ATOM 0 H ILE A 135 5.040 6.801 -3.584 1.00 33.15 H new ATOM 0 HA ILE A 135 7.364 7.004 -1.809 1.00 24.12 H new ATOM 0 HB ILE A 135 6.748 5.045 -4.050 1.00 75.25 H new ATOM 0 HG12 ILE A 135 5.005 4.874 -2.343 1.00 22.30 H new ATOM 0 HG13 ILE A 135 6.016 3.443 -2.357 1.00 22.30 H new ATOM 0 HG21 ILE A 135 8.432 3.603 -2.939 1.00 2.14 H new ATOM 0 HG22 ILE A 135 9.124 5.147 -3.489 1.00 2.14 H new ATOM 0 HG23 ILE A 135 8.751 4.903 -1.766 1.00 2.14 H new ATOM 0 HD11 ILE A 135 5.465 4.103 -0.072 1.00 43.41 H new ATOM 0 HD12 ILE A 135 7.215 4.253 -0.357 1.00 43.41 H new ATOM 0 HD13 ILE A 135 6.188 5.706 -0.342 1.00 43.41 H new ATOM 1998 N ARG A 136 8.837 8.191 -3.488 1.00 61.22 N ATOM 1999 CA ARG A 136 9.705 8.817 -4.461 1.00 70.03 C ATOM 2000 C ARG A 136 11.024 8.060 -4.504 1.00 24.45 C ATOM 2001 O ARG A 136 11.830 8.115 -3.569 1.00 54.42 O ATOM 2002 CB ARG A 136 9.911 10.310 -4.164 1.00 51.41 C ATOM 2003 CG ARG A 136 10.685 11.042 -5.264 1.00 41.44 C ATOM 2004 CD ARG A 136 10.722 12.551 -5.068 1.00 13.25 C ATOM 2005 NE ARG A 136 11.410 12.948 -3.832 1.00 30.13 N ATOM 2006 CZ ARG A 136 12.268 13.975 -3.736 1.00 74.35 C ATOM 2007 NH1 ARG A 136 12.632 14.667 -4.810 1.00 60.33 N ATOM 2008 NH2 ARG A 136 12.781 14.292 -2.558 1.00 15.13 N ATOM 0 H ARG A 136 9.084 8.365 -2.514 1.00 61.22 H new ATOM 0 HA ARG A 136 9.235 8.768 -5.443 1.00 70.03 H new ATOM 0 HB2 ARG A 136 8.939 10.786 -4.034 1.00 51.41 H new ATOM 0 HB3 ARG A 136 10.446 10.416 -3.220 1.00 51.41 H new ATOM 0 HG2 ARG A 136 11.706 10.661 -5.296 1.00 41.44 H new ATOM 0 HG3 ARG A 136 10.231 10.818 -6.229 1.00 41.44 H new ATOM 0 HD2 ARG A 136 11.222 13.011 -5.920 1.00 13.25 H new ATOM 0 HD3 ARG A 136 9.702 12.936 -5.050 1.00 13.25 H new ATOM 0 HE ARG A 136 11.222 12.405 -2.989 1.00 30.13 H new ATOM 0 HH11 ARG A 136 12.258 14.420 -5.726 1.00 60.33 H new ATOM 0 HH12 ARG A 136 13.285 15.445 -4.718 1.00 60.33 H new ATOM 0 HH21 ARG A 136 12.524 13.757 -1.729 1.00 15.13 H new ATOM 0 HH22 ARG A 136 13.434 15.072 -2.479 1.00 15.13 H new ATOM 2022 N ALA A 137 11.225 7.341 -5.593 1.00 3.12 N ATOM 2023 CA ALA A 137 12.421 6.555 -5.775 1.00 61.42 C ATOM 2024 C ALA A 137 13.415 7.343 -6.615 1.00 21.23 C ATOM 2025 O ALA A 137 13.187 7.597 -7.796 1.00 63.10 O ATOM 2026 CB ALA A 137 12.091 5.213 -6.413 1.00 15.24 C ATOM 0 H ALA A 137 10.565 7.288 -6.369 1.00 3.12 H new ATOM 0 HA ALA A 137 12.872 6.347 -4.805 1.00 61.42 H new ATOM 0 HB1 ALA A 137 13.007 4.636 -6.541 1.00 15.24 H new ATOM 0 HB2 ALA A 137 11.403 4.664 -5.770 1.00 15.24 H new ATOM 0 HB3 ALA A 137 11.626 5.377 -7.385 1.00 15.24 H new ATOM 2032 N LEU A 138 14.490 7.751 -5.975 1.00 74.34 N ATOM 2033 CA LEU A 138 15.538 8.528 -6.606 1.00 32.33 C ATOM 2034 C LEU A 138 16.798 7.700 -6.715 1.00 10.42 C ATOM 2035 O LEU A 138 16.793 6.510 -6.415 1.00 25.24 O ATOM 2036 CB LEU A 138 15.779 9.840 -5.859 1.00 23.41 C ATOM 2037 CG LEU A 138 15.829 9.768 -4.340 1.00 71.51 C ATOM 2038 CD1 LEU A 138 17.253 9.637 -3.817 1.00 41.30 C ATOM 2039 CD2 LEU A 138 15.168 11.002 -3.807 1.00 70.35 C ATOM 0 H LEU A 138 14.664 7.551 -4.990 1.00 74.34 H new ATOM 0 HA LEU A 138 15.221 8.795 -7.614 1.00 32.33 H new ATOM 0 HB2 LEU A 138 16.721 10.262 -6.210 1.00 23.41 H new ATOM 0 HB3 LEU A 138 14.992 10.540 -6.140 1.00 23.41 H new ATOM 0 HG LEU A 138 15.305 8.875 -4.000 1.00 71.51 H new ATOM 0 HD11 LEU A 138 17.238 9.589 -2.728 1.00 41.30 H new ATOM 0 HD12 LEU A 138 17.704 8.728 -4.214 1.00 41.30 H new ATOM 0 HD13 LEU A 138 17.838 10.500 -4.134 1.00 41.30 H new ATOM 0 HD21 LEU A 138 15.186 10.983 -2.717 1.00 70.35 H new ATOM 0 HD22 LEU A 138 15.701 11.883 -4.163 1.00 70.35 H new ATOM 0 HD23 LEU A 138 14.135 11.039 -4.152 1.00 70.35 H new