USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=25 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 119 SER OG : rot 180:sc= 0.219 USER MOD Set 1.2: A 132 SER OG : rot 86:sc= 0.232 USER MOD Set 2.1: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 124 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.3!) USER MOD Single : A 6 ASN : amide:sc=-0.00102 K(o=-0.001,f=-0.96) USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000315) USER MOD Single : A 9 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.013) 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= 0.0684 K(o=0.068,f=-2.8!) 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 115:sc= 0.502 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -109:sc= -0.449 (180deg=-2.28!) USER MOD Single : A 85 SER OG : rot 95:sc= -0.252 USER MOD Single : A 87 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.42) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -149:sc= 0 (180deg=-0.647) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 31:sc= 0.203 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 116 TYR OH : rot -179:sc= 0.636 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.7!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 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 -99.637 126.754 14.055 1.00 14.35 N ATOM 35 CA ALA A 3 -98.414 127.197 14.707 1.00 2.55 C ATOM 36 C ALA A 3 -97.205 126.818 13.868 1.00 63.12 C ATOM 37 O ALA A 3 -97.050 125.658 13.473 1.00 53.32 O ATOM 38 CB ALA A 3 -98.307 126.593 16.105 1.00 42.11 C ATOM 0 HA ALA A 3 -98.443 128.282 14.804 1.00 2.55 H new ATOM 0 HB1 ALA A 3 -97.387 126.934 16.579 1.00 42.11 H new ATOM 0 HB2 ALA A 3 -99.162 126.907 16.704 1.00 42.11 H new ATOM 0 HB3 ALA A 3 -98.296 125.506 16.032 1.00 42.11 H new ATOM 44 N ARG A 4 -96.358 127.797 13.571 1.00 10.35 N ATOM 45 CA ARG A 4 -95.129 127.533 12.835 1.00 71.33 C ATOM 46 C ARG A 4 -93.990 127.219 13.807 1.00 55.23 C ATOM 47 O ARG A 4 -93.853 127.858 14.858 1.00 23.32 O ATOM 48 CB ARG A 4 -94.746 128.708 11.910 1.00 14.13 C ATOM 49 CG ARG A 4 -94.449 130.024 12.627 1.00 15.23 C ATOM 50 CD ARG A 4 -93.763 131.034 11.720 1.00 21.23 C ATOM 51 NE ARG A 4 -94.611 131.486 10.610 1.00 21.43 N ATOM 52 CZ ARG A 4 -94.411 132.617 9.921 1.00 15.22 C ATOM 53 NH1 ARG A 4 -93.421 133.449 10.250 1.00 4.30 N ATOM 54 NH2 ARG A 4 -95.209 132.919 8.906 1.00 62.35 N ATOM 0 H ARG A 4 -96.499 128.774 13.827 1.00 10.35 H new ATOM 0 HA ARG A 4 -95.304 126.666 12.198 1.00 71.33 H new ATOM 0 HB2 ARG A 4 -93.869 128.422 11.329 1.00 14.13 H new ATOM 0 HB3 ARG A 4 -95.558 128.873 11.202 1.00 14.13 H new ATOM 0 HG2 ARG A 4 -95.380 130.449 13.002 1.00 15.23 H new ATOM 0 HG3 ARG A 4 -93.817 129.829 13.493 1.00 15.23 H new ATOM 0 HD2 ARG A 4 -93.461 131.898 12.312 1.00 21.23 H new ATOM 0 HD3 ARG A 4 -92.853 130.590 11.316 1.00 21.23 H new ATOM 0 HE ARG A 4 -95.404 130.901 10.346 1.00 21.43 H new ATOM 0 HH11 ARG A 4 -92.807 133.226 11.033 1.00 4.30 H new ATOM 0 HH12 ARG A 4 -93.278 134.307 9.718 1.00 4.30 H new ATOM 0 HH21 ARG A 4 -95.972 132.291 8.653 1.00 62.35 H new ATOM 0 HH22 ARG A 4 -95.060 133.779 8.379 1.00 62.35 H new ATOM 68 N ASP A 5 -93.196 126.215 13.472 1.00 75.21 N ATOM 69 CA ASP A 5 -92.021 125.883 14.261 1.00 64.23 C ATOM 70 C ASP A 5 -90.849 125.570 13.345 1.00 32.23 C ATOM 71 O ASP A 5 -91.017 124.970 12.275 1.00 11.23 O ATOM 72 CB ASP A 5 -92.283 124.720 15.248 1.00 70.33 C ATOM 73 CG ASP A 5 -92.467 123.355 14.594 1.00 53.03 C ATOM 74 OD1 ASP A 5 -93.588 123.043 14.151 1.00 52.43 O ATOM 75 OD2 ASP A 5 -91.492 122.579 14.540 1.00 71.12 O ATOM 0 H ASP A 5 -93.344 125.616 12.660 1.00 75.21 H new ATOM 0 HA ASP A 5 -91.774 126.754 14.868 1.00 64.23 H new ATOM 0 HB2 ASP A 5 -91.450 124.662 15.949 1.00 70.33 H new ATOM 0 HB3 ASP A 5 -93.174 124.951 15.831 1.00 70.33 H new ATOM 80 N ASN A 6 -89.676 126.028 13.760 1.00 65.43 N ATOM 81 CA ASN A 6 -88.430 125.787 13.043 1.00 41.45 C ATOM 82 C ASN A 6 -87.262 126.044 13.981 1.00 61.23 C ATOM 83 O ASN A 6 -86.927 127.195 14.266 1.00 1.22 O ATOM 84 CB ASN A 6 -88.309 126.691 11.802 1.00 50.30 C ATOM 85 CG ASN A 6 -87.176 126.278 10.873 1.00 4.12 C ATOM 86 OD1 ASN A 6 -86.814 125.104 10.791 1.00 65.15 O ATOM 87 ND2 ASN A 6 -86.618 127.242 10.163 1.00 11.34 N ATOM 0 H ASN A 6 -89.561 126.581 14.609 1.00 65.43 H new ATOM 0 HA ASN A 6 -88.421 124.752 12.702 1.00 41.45 H new ATOM 0 HB2 ASN A 6 -89.249 126.670 11.251 1.00 50.30 H new ATOM 0 HB3 ASN A 6 -88.151 127.720 12.123 1.00 50.30 H new ATOM 0 HD21 ASN A 6 -85.858 127.026 9.518 1.00 11.34 H new ATOM 0 HD22 ASN A 6 -86.947 128.203 10.260 1.00 11.34 H new ATOM 94 N LYS A 7 -86.668 124.976 14.494 1.00 54.43 N ATOM 95 CA LYS A 7 -85.511 125.111 15.362 1.00 13.43 C ATOM 96 C LYS A 7 -84.301 124.441 14.726 1.00 71.42 C ATOM 97 O LYS A 7 -84.057 123.243 14.898 1.00 63.52 O ATOM 98 CB LYS A 7 -85.799 124.561 16.773 1.00 31.51 C ATOM 99 CG LYS A 7 -84.708 124.860 17.805 1.00 54.23 C ATOM 100 CD LYS A 7 -84.399 126.354 17.883 1.00 43.11 C ATOM 101 CE LYS A 7 -83.356 126.669 18.946 1.00 44.33 C ATOM 102 NZ LYS A 7 -83.905 126.555 20.325 1.00 24.33 N ATOM 0 H LYS A 7 -86.966 124.015 14.325 1.00 54.43 H new ATOM 0 HA LYS A 7 -85.287 126.171 15.481 1.00 13.43 H new ATOM 0 HB2 LYS A 7 -86.741 124.979 17.127 1.00 31.51 H new ATOM 0 HB3 LYS A 7 -85.934 123.481 16.708 1.00 31.51 H new ATOM 0 HG2 LYS A 7 -85.026 124.502 18.784 1.00 54.23 H new ATOM 0 HG3 LYS A 7 -83.801 124.314 17.545 1.00 54.23 H new ATOM 0 HD2 LYS A 7 -84.043 126.701 16.913 1.00 43.11 H new ATOM 0 HD3 LYS A 7 -85.315 126.902 18.101 1.00 43.11 H new ATOM 0 HE2 LYS A 7 -82.511 125.989 18.836 1.00 44.33 H new ATOM 0 HE3 LYS A 7 -82.975 127.678 18.791 1.00 44.33 H new ATOM 0 HZ1 LYS A 7 -83.164 126.795 21.014 1.00 24.33 H new ATOM 0 HZ2 LYS A 7 -84.706 127.210 20.435 1.00 24.33 H new ATOM 0 HZ3 LYS A 7 -84.229 125.581 20.490 1.00 24.33 H new ATOM 116 N PHE A 8 -83.574 125.232 13.951 1.00 72.20 N ATOM 117 CA PHE A 8 -82.357 124.778 13.312 1.00 50.54 C ATOM 118 C PHE A 8 -81.159 125.123 14.201 1.00 41.42 C ATOM 119 O PHE A 8 -80.744 126.280 14.289 1.00 42.44 O ATOM 120 CB PHE A 8 -82.221 125.416 11.915 1.00 55.40 C ATOM 121 CG PHE A 8 -81.084 124.883 11.081 1.00 25.45 C ATOM 122 CD1 PHE A 8 -81.232 123.716 10.351 1.00 4.31 C ATOM 123 CD2 PHE A 8 -79.873 125.554 11.019 1.00 45.42 C ATOM 124 CE1 PHE A 8 -80.193 123.225 9.583 1.00 0.31 C ATOM 125 CE2 PHE A 8 -78.835 125.068 10.253 1.00 30.34 C ATOM 126 CZ PHE A 8 -78.994 123.902 9.535 1.00 42.12 C ATOM 0 H PHE A 8 -83.814 126.203 13.750 1.00 72.20 H new ATOM 0 HA PHE A 8 -82.391 123.697 13.180 1.00 50.54 H new ATOM 0 HB2 PHE A 8 -83.153 125.265 11.371 1.00 55.40 H new ATOM 0 HB3 PHE A 8 -82.092 126.492 12.034 1.00 55.40 H new ATOM 0 HD1 PHE A 8 -82.171 123.183 10.382 1.00 4.31 H new ATOM 0 HD2 PHE A 8 -79.741 126.469 11.578 1.00 45.42 H new ATOM 0 HE1 PHE A 8 -80.321 122.312 9.021 1.00 0.31 H new ATOM 0 HE2 PHE A 8 -77.897 125.601 10.215 1.00 30.34 H new ATOM 0 HZ PHE A 8 -78.180 123.520 8.936 1.00 42.12 H new ATOM 136 N ASN A 9 -80.657 124.117 14.899 1.00 73.12 N ATOM 137 CA ASN A 9 -79.446 124.250 15.699 1.00 14.55 C ATOM 138 C ASN A 9 -78.286 123.642 14.917 1.00 73.14 C ATOM 139 O ASN A 9 -78.503 122.771 14.068 1.00 0.23 O ATOM 140 CB ASN A 9 -79.650 123.544 17.057 1.00 14.41 C ATOM 141 CG ASN A 9 -78.440 123.588 17.989 1.00 15.31 C ATOM 142 OD1 ASN A 9 -77.618 122.670 18.004 1.00 54.23 O ATOM 143 ND2 ASN A 9 -78.326 124.651 18.770 1.00 51.51 N ATOM 0 H ASN A 9 -81.075 123.187 14.928 1.00 73.12 H new ATOM 0 HA ASN A 9 -79.222 125.298 15.900 1.00 14.55 H new ATOM 0 HB2 ASN A 9 -80.499 124.002 17.565 1.00 14.41 H new ATOM 0 HB3 ASN A 9 -79.912 122.502 16.873 1.00 14.41 H new ATOM 0 HD21 ASN A 9 -77.537 124.730 19.412 1.00 51.51 H new ATOM 0 HD22 ASN A 9 -79.027 125.391 18.729 1.00 51.51 H new ATOM 150 N THR A 10 -77.071 124.123 15.161 1.00 52.45 N ATOM 151 CA THR A 10 -75.882 123.525 14.573 1.00 22.25 C ATOM 152 C THR A 10 -75.508 122.263 15.356 1.00 73.22 C ATOM 153 O THR A 10 -74.702 122.299 16.287 1.00 52.53 O ATOM 154 CB THR A 10 -74.693 124.522 14.553 1.00 63.13 C ATOM 155 OG1 THR A 10 -75.124 125.779 14.010 1.00 40.15 O ATOM 156 CG2 THR A 10 -73.530 123.993 13.715 1.00 52.25 C ATOM 0 H THR A 10 -76.886 124.926 15.763 1.00 52.45 H new ATOM 0 HA THR A 10 -76.103 123.262 13.539 1.00 22.25 H new ATOM 0 HB THR A 10 -74.350 124.649 15.580 1.00 63.13 H new ATOM 0 HG1 THR A 10 -74.371 126.407 14.000 1.00 40.15 H new ATOM 0 HG21 THR A 10 -72.716 124.718 13.724 1.00 52.25 H new ATOM 0 HG22 THR A 10 -73.180 123.049 14.133 1.00 52.25 H new ATOM 0 HG23 THR A 10 -73.863 123.834 12.689 1.00 52.25 H new ATOM 164 N TRP A 11 -76.164 121.161 15.014 1.00 52.21 N ATOM 165 CA TRP A 11 -75.885 119.891 15.635 1.00 4.11 C ATOM 166 C TRP A 11 -75.057 119.039 14.692 1.00 52.33 C ATOM 167 O TRP A 11 -75.562 118.475 13.720 1.00 62.23 O ATOM 168 CB TRP A 11 -77.181 119.175 16.059 1.00 63.43 C ATOM 169 CG TRP A 11 -76.966 117.797 16.638 1.00 15.35 C ATOM 170 CD1 TRP A 11 -77.574 116.641 16.235 1.00 53.22 C ATOM 171 CD2 TRP A 11 -76.062 117.422 17.698 1.00 21.02 C ATOM 172 NE1 TRP A 11 -77.119 115.581 16.981 1.00 45.02 N ATOM 173 CE2 TRP A 11 -76.191 116.032 17.880 1.00 3.32 C ATOM 174 CE3 TRP A 11 -75.161 118.122 18.509 1.00 10.45 C ATOM 175 CZ2 TRP A 11 -75.455 115.333 18.833 1.00 24.24 C ATOM 176 CZ3 TRP A 11 -74.432 117.426 19.453 1.00 2.12 C ATOM 177 CH2 TRP A 11 -74.582 116.044 19.607 1.00 42.44 C ATOM 0 H TRP A 11 -76.896 121.131 14.304 1.00 52.21 H new ATOM 0 HA TRP A 11 -75.312 120.061 16.546 1.00 4.11 H new ATOM 0 HB2 TRP A 11 -77.698 119.790 16.796 1.00 63.43 H new ATOM 0 HB3 TRP A 11 -77.838 119.095 15.193 1.00 63.43 H new ATOM 0 HD1 TRP A 11 -78.306 116.571 15.444 1.00 53.22 H new ATOM 0 HE1 TRP A 11 -77.424 114.613 16.881 1.00 45.02 H new ATOM 0 HE3 TRP A 11 -75.038 119.189 18.398 1.00 10.45 H new ATOM 0 HZ2 TRP A 11 -75.570 114.266 18.956 1.00 24.24 H new ATOM 0 HZ3 TRP A 11 -73.734 117.958 20.083 1.00 2.12 H new ATOM 0 HH2 TRP A 11 -73.996 115.528 20.353 1.00 42.44 H new ATOM 188 N ASN A 12 -73.777 118.985 14.983 1.00 42.54 N ATOM 189 CA ASN A 12 -72.847 118.173 14.232 1.00 11.12 C ATOM 190 C ASN A 12 -71.862 117.570 15.222 1.00 71.35 C ATOM 191 O ASN A 12 -71.633 118.147 16.288 1.00 74.20 O ATOM 192 CB ASN A 12 -72.131 119.031 13.178 1.00 15.41 C ATOM 193 CG ASN A 12 -71.602 118.215 12.014 1.00 44.25 C ATOM 194 OD1 ASN A 12 -70.470 117.744 12.030 1.00 70.11 O ATOM 195 ND2 ASN A 12 -72.427 118.046 10.993 1.00 23.42 N ATOM 0 H ASN A 12 -73.350 119.505 15.750 1.00 42.54 H new ATOM 0 HA ASN A 12 -73.365 117.376 13.699 1.00 11.12 H new ATOM 0 HB2 ASN A 12 -72.821 119.786 12.802 1.00 15.41 H new ATOM 0 HB3 ASN A 12 -71.304 119.561 13.649 1.00 15.41 H new ATOM 0 HD21 ASN A 12 -72.129 117.507 10.180 1.00 23.42 H new ATOM 0 HD22 ASN A 12 -73.361 118.455 11.019 1.00 23.42 H new ATOM 202 N ASP A 13 -71.295 116.417 14.898 1.00 52.11 N ATOM 203 CA ASP A 13 -70.434 115.717 15.843 1.00 32.05 C ATOM 204 C ASP A 13 -68.987 116.188 15.735 1.00 15.45 C ATOM 205 O ASP A 13 -68.556 116.720 14.707 1.00 11.13 O ATOM 206 CB ASP A 13 -70.525 114.188 15.658 1.00 51.33 C ATOM 207 CG ASP A 13 -69.767 113.651 14.448 1.00 44.20 C ATOM 208 OD1 ASP A 13 -70.286 113.726 13.318 1.00 53.22 O ATOM 209 OD2 ASP A 13 -68.646 113.131 14.633 1.00 22.24 O ATOM 0 H ASP A 13 -71.413 115.950 13.999 1.00 52.11 H new ATOM 0 HA ASP A 13 -70.791 115.958 16.844 1.00 32.05 H new ATOM 0 HB2 ASP A 13 -70.142 113.703 16.556 1.00 51.33 H new ATOM 0 HB3 ASP A 13 -71.574 113.908 15.567 1.00 51.33 H new ATOM 214 N SER A 14 -68.258 116.008 16.825 1.00 2.01 N ATOM 215 CA SER A 14 -66.840 116.305 16.874 1.00 74.31 C ATOM 216 C SER A 14 -66.052 115.003 16.951 1.00 50.14 C ATOM 217 O SER A 14 -66.003 114.351 17.998 1.00 13.31 O ATOM 218 CB SER A 14 -66.520 117.200 18.074 1.00 62.40 C ATOM 219 OG SER A 14 -67.215 118.439 17.996 1.00 71.22 O ATOM 0 H SER A 14 -68.637 115.651 17.702 1.00 2.01 H new ATOM 0 HA SER A 14 -66.555 116.842 15.969 1.00 74.31 H new ATOM 0 HB2 SER A 14 -66.791 116.686 18.996 1.00 62.40 H new ATOM 0 HB3 SER A 14 -65.447 117.385 18.116 1.00 62.40 H new ATOM 0 HG SER A 14 -66.992 118.989 18.776 1.00 71.22 H new ATOM 225 N ARG A 15 -65.480 114.595 15.828 1.00 43.51 N ATOM 226 CA ARG A 15 -64.703 113.363 15.784 1.00 13.34 C ATOM 227 C ARG A 15 -63.205 113.632 15.940 1.00 64.11 C ATOM 228 O ARG A 15 -62.781 114.785 16.058 1.00 0.33 O ATOM 229 CB ARG A 15 -65.031 112.534 14.518 1.00 31.42 C ATOM 230 CG ARG A 15 -65.190 113.308 13.204 1.00 14.33 C ATOM 231 CD ARG A 15 -63.888 113.452 12.425 1.00 43.51 C ATOM 232 NE ARG A 15 -63.102 114.613 12.855 1.00 42.42 N ATOM 233 CZ ARG A 15 -61.772 114.708 12.763 1.00 1.22 C ATOM 234 NH1 ARG A 15 -61.045 113.706 12.272 1.00 71.32 N ATOM 235 NH2 ARG A 15 -61.164 115.803 13.195 1.00 54.51 N ATOM 0 H ARG A 15 -65.538 115.094 14.940 1.00 43.51 H new ATOM 0 HA ARG A 15 -64.996 112.756 16.641 1.00 13.34 H new ATOM 0 HB2 ARG A 15 -64.242 111.795 14.383 1.00 31.42 H new ATOM 0 HB3 ARG A 15 -65.954 111.985 14.702 1.00 31.42 H new ATOM 0 HG2 ARG A 15 -65.925 112.801 12.579 1.00 14.33 H new ATOM 0 HG3 ARG A 15 -65.587 114.300 13.421 1.00 14.33 H new ATOM 0 HD2 ARG A 15 -63.292 112.548 12.549 1.00 43.51 H new ATOM 0 HD3 ARG A 15 -64.112 113.543 11.362 1.00 43.51 H new ATOM 0 HE ARG A 15 -63.607 115.405 13.253 1.00 42.42 H new ATOM 0 HH11 ARG A 15 -61.502 112.850 11.959 1.00 71.32 H new ATOM 0 HH12 ARG A 15 -60.031 113.795 12.209 1.00 71.32 H new ATOM 0 HH21 ARG A 15 -61.711 116.566 13.594 1.00 54.51 H new ATOM 0 HH22 ARG A 15 -60.149 115.883 13.128 1.00 54.51 H new ATOM 249 N GLY A 16 -62.416 112.563 15.962 1.00 32.21 N ATOM 250 CA GLY A 16 -60.975 112.689 16.085 1.00 60.33 C ATOM 251 C GLY A 16 -60.252 111.589 15.335 1.00 2.12 C ATOM 252 O GLY A 16 -60.807 110.502 15.143 1.00 23.20 O ATOM 0 H GLY A 16 -62.753 111.603 15.896 1.00 32.21 H new ATOM 0 HA2 GLY A 16 -60.660 113.659 15.701 1.00 60.33 H new ATOM 0 HA3 GLY A 16 -60.695 112.657 17.138 1.00 60.33 H new ATOM 256 N ASN A 17 -59.020 111.865 14.915 1.00 0.31 N ATOM 257 CA ASN A 17 -58.241 110.905 14.131 1.00 62.31 C ATOM 258 C ASN A 17 -57.387 110.006 15.027 1.00 33.23 C ATOM 259 O ASN A 17 -57.047 110.368 16.160 1.00 62.44 O ATOM 260 CB ASN A 17 -57.345 111.603 13.077 1.00 24.34 C ATOM 261 CG ASN A 17 -56.215 112.462 13.651 1.00 73.52 C ATOM 262 OD1 ASN A 17 -56.346 113.087 14.705 1.00 64.13 O ATOM 263 ND2 ASN A 17 -55.089 112.493 12.951 1.00 22.32 N ATOM 0 H ASN A 17 -58.538 112.744 15.103 1.00 0.31 H new ATOM 0 HA ASN A 17 -58.965 110.284 13.603 1.00 62.31 H new ATOM 0 HB2 ASN A 17 -56.909 110.841 12.432 1.00 24.34 H new ATOM 0 HB3 ASN A 17 -57.974 112.232 12.447 1.00 24.34 H new ATOM 0 HD21 ASN A 17 -54.298 113.046 13.281 1.00 22.32 H new ATOM 0 HD22 ASN A 17 -55.014 111.964 12.082 1.00 22.32 H new ATOM 270 N TYR A 18 -57.067 108.829 14.508 1.00 64.22 N ATOM 271 CA TYR A 18 -56.203 107.878 15.186 1.00 14.22 C ATOM 272 C TYR A 18 -55.378 107.115 14.154 1.00 53.25 C ATOM 273 O TYR A 18 -55.788 107.013 12.991 1.00 71.42 O ATOM 274 CB TYR A 18 -57.025 106.905 16.064 1.00 14.10 C ATOM 275 CG TYR A 18 -58.025 106.028 15.321 1.00 2.32 C ATOM 276 CD1 TYR A 18 -59.329 106.453 15.102 1.00 13.51 C ATOM 277 CD2 TYR A 18 -57.666 104.765 14.859 1.00 72.44 C ATOM 278 CE1 TYR A 18 -60.238 105.653 14.442 1.00 71.20 C ATOM 279 CE2 TYR A 18 -58.573 103.963 14.205 1.00 52.51 C ATOM 280 CZ TYR A 18 -59.854 104.409 13.998 1.00 72.04 C ATOM 281 OH TYR A 18 -60.757 103.604 13.341 1.00 5.12 O ATOM 0 H TYR A 18 -57.402 108.507 13.600 1.00 64.22 H new ATOM 0 HA TYR A 18 -55.530 108.423 15.848 1.00 14.22 H new ATOM 0 HB2 TYR A 18 -56.333 106.258 16.603 1.00 14.10 H new ATOM 0 HB3 TYR A 18 -57.565 107.487 16.811 1.00 14.10 H new ATOM 0 HD1 TYR A 18 -59.636 107.426 15.455 1.00 13.51 H new ATOM 0 HD2 TYR A 18 -56.659 104.409 15.016 1.00 72.44 H new ATOM 0 HE1 TYR A 18 -61.246 106.002 14.275 1.00 71.20 H new ATOM 0 HE2 TYR A 18 -58.277 102.985 13.855 1.00 52.51 H new ATOM 0 HH TYR A 18 -60.324 102.760 13.094 1.00 5.12 H new ATOM 291 N TRP A 19 -54.227 106.597 14.566 1.00 41.21 N ATOM 292 CA TRP A 19 -53.412 105.773 13.687 1.00 11.22 C ATOM 293 C TRP A 19 -52.702 104.687 14.490 1.00 3.23 C ATOM 294 O TRP A 19 -51.664 104.928 15.113 1.00 32.31 O ATOM 295 CB TRP A 19 -52.399 106.633 12.912 1.00 2.23 C ATOM 296 CG TRP A 19 -51.685 105.872 11.836 1.00 1.53 C ATOM 297 CD1 TRP A 19 -52.263 105.168 10.823 1.00 54.34 C ATOM 298 CD2 TRP A 19 -50.269 105.739 11.664 1.00 21.14 C ATOM 299 NE1 TRP A 19 -51.294 104.591 10.039 1.00 53.15 N ATOM 300 CE2 TRP A 19 -50.062 104.936 10.528 1.00 2.23 C ATOM 301 CE3 TRP A 19 -49.155 106.229 12.356 1.00 61.23 C ATOM 302 CZ2 TRP A 19 -48.788 104.598 10.078 1.00 13.44 C ATOM 303 CZ3 TRP A 19 -47.893 105.893 11.905 1.00 74.42 C ATOM 304 CH2 TRP A 19 -47.719 105.090 10.773 1.00 73.43 C ATOM 0 H TRP A 19 -53.840 106.733 15.500 1.00 41.21 H new ATOM 0 HA TRP A 19 -54.066 105.293 12.959 1.00 11.22 H new ATOM 0 HB2 TRP A 19 -52.918 107.482 12.466 1.00 2.23 H new ATOM 0 HB3 TRP A 19 -51.666 107.038 13.610 1.00 2.23 H new ATOM 0 HD1 TRP A 19 -53.327 105.077 10.660 1.00 54.34 H new ATOM 0 HE1 TRP A 19 -51.464 104.001 9.225 1.00 53.15 H new ATOM 0 HE3 TRP A 19 -49.280 106.857 13.225 1.00 61.23 H new ATOM 0 HZ2 TRP A 19 -48.650 103.969 9.211 1.00 13.44 H new ATOM 0 HZ3 TRP A 19 -47.026 106.257 12.436 1.00 74.42 H new ATOM 0 HH2 TRP A 19 -46.719 104.854 10.441 1.00 73.43 H new ATOM 315 N SER A 20 -53.289 103.495 14.493 1.00 64.03 N ATOM 316 CA SER A 20 -52.725 102.359 15.213 1.00 41.32 C ATOM 317 C SER A 20 -52.713 101.108 14.332 1.00 14.15 C ATOM 318 O SER A 20 -53.761 100.518 14.053 1.00 20.43 O ATOM 319 CB SER A 20 -53.515 102.095 16.500 1.00 53.11 C ATOM 320 OG SER A 20 -53.554 103.248 17.327 1.00 13.01 O ATOM 0 H SER A 20 -54.159 103.290 14.002 1.00 64.03 H new ATOM 0 HA SER A 20 -51.696 102.602 15.478 1.00 41.32 H new ATOM 0 HB2 SER A 20 -54.531 101.790 16.249 1.00 53.11 H new ATOM 0 HB3 SER A 20 -53.060 101.269 17.046 1.00 53.11 H new ATOM 0 HG SER A 20 -54.065 103.051 18.139 1.00 13.01 H new ATOM 326 N ASP A 21 -51.525 100.729 13.875 1.00 71.51 N ATOM 327 CA ASP A 21 -51.343 99.511 13.092 1.00 35.12 C ATOM 328 C ASP A 21 -51.024 98.346 14.028 1.00 2.33 C ATOM 329 O ASP A 21 -50.295 98.511 15.008 1.00 23.12 O ATOM 330 CB ASP A 21 -50.224 99.717 12.055 1.00 21.24 C ATOM 331 CG ASP A 21 -49.974 98.507 11.167 1.00 42.13 C ATOM 332 OD1 ASP A 21 -50.929 98.007 10.544 1.00 31.33 O ATOM 333 OD2 ASP A 21 -48.811 98.071 11.074 1.00 52.33 O ATOM 0 H ASP A 21 -50.665 101.253 14.035 1.00 71.51 H new ATOM 0 HA ASP A 21 -52.261 99.278 12.553 1.00 35.12 H new ATOM 0 HB2 ASP A 21 -50.478 100.570 11.426 1.00 21.24 H new ATOM 0 HB3 ASP A 21 -49.301 99.969 12.577 1.00 21.24 H new ATOM 338 N TYR A 22 -51.578 97.176 13.725 1.00 61.44 N ATOM 339 CA TYR A 22 -51.441 96.013 14.591 1.00 74.20 C ATOM 340 C TYR A 22 -50.119 95.296 14.339 1.00 23.01 C ATOM 341 O TYR A 22 -49.813 94.907 13.210 1.00 61.13 O ATOM 342 CB TYR A 22 -52.621 95.051 14.390 1.00 20.52 C ATOM 343 CG TYR A 22 -52.631 93.872 15.350 1.00 62.40 C ATOM 344 CD1 TYR A 22 -52.884 94.054 16.704 1.00 15.40 C ATOM 345 CD2 TYR A 22 -52.375 92.580 14.902 1.00 5.15 C ATOM 346 CE1 TYR A 22 -52.883 92.987 17.582 1.00 32.02 C ATOM 347 CE2 TYR A 22 -52.373 91.507 15.777 1.00 72.45 C ATOM 348 CZ TYR A 22 -52.627 91.716 17.114 1.00 32.40 C ATOM 349 OH TYR A 22 -52.626 90.655 17.988 1.00 72.03 O ATOM 0 H TYR A 22 -52.128 97.009 12.882 1.00 61.44 H new ATOM 0 HA TYR A 22 -51.446 96.359 15.625 1.00 74.20 H new ATOM 0 HB2 TYR A 22 -53.552 95.606 14.504 1.00 20.52 H new ATOM 0 HB3 TYR A 22 -52.598 94.673 13.368 1.00 20.52 H new ATOM 0 HD1 TYR A 22 -53.085 95.047 17.077 1.00 15.40 H new ATOM 0 HD2 TYR A 22 -52.174 92.411 13.854 1.00 5.15 H new ATOM 0 HE1 TYR A 22 -53.082 93.148 18.631 1.00 32.02 H new ATOM 0 HE2 TYR A 22 -52.173 90.510 15.412 1.00 72.45 H new ATOM 0 HH TYR A 22 -52.430 89.829 17.499 1.00 72.03 H new ATOM 848 N PRO A 59 -21.583 -1.005 14.037 1.00 55.10 N ATOM 849 CA PRO A 59 -20.581 -1.998 13.649 1.00 14.15 C ATOM 850 C PRO A 59 -19.202 -1.385 13.381 1.00 42.33 C ATOM 851 O PRO A 59 -19.047 -0.162 13.318 1.00 62.41 O ATOM 852 CB PRO A 59 -21.154 -2.633 12.384 1.00 2.12 C ATOM 853 CG PRO A 59 -22.160 -1.677 11.839 1.00 41.10 C ATOM 854 CD PRO A 59 -22.528 -0.714 12.936 1.00 65.44 C ATOM 0 HA PRO A 59 -20.407 -2.717 14.450 1.00 14.15 H new ATOM 0 HB2 PRO A 59 -20.366 -2.822 11.655 1.00 2.12 H new ATOM 0 HB3 PRO A 59 -21.616 -3.594 12.609 1.00 2.12 H new ATOM 0 HG2 PRO A 59 -21.751 -1.141 10.982 1.00 41.10 H new ATOM 0 HG3 PRO A 59 -23.043 -2.211 11.489 1.00 41.10 H new ATOM 0 HD2 PRO A 59 -22.437 0.319 12.601 1.00 65.44 H new ATOM 0 HD3 PRO A 59 -23.561 -0.856 13.255 1.00 65.44 H new ATOM 862 N VAL A 60 -18.203 -2.246 13.220 1.00 20.54 N ATOM 863 CA VAL A 60 -16.825 -1.799 13.115 1.00 30.01 C ATOM 864 C VAL A 60 -16.361 -1.758 11.649 1.00 3.53 C ATOM 865 O VAL A 60 -16.648 -2.654 10.851 1.00 21.12 O ATOM 866 CB VAL A 60 -15.883 -2.667 14.009 1.00 64.30 C ATOM 867 CG1 VAL A 60 -15.771 -4.104 13.517 1.00 53.43 C ATOM 868 CG2 VAL A 60 -14.505 -2.040 14.151 1.00 24.41 C ATOM 0 H VAL A 60 -18.325 -3.257 13.160 1.00 20.54 H new ATOM 0 HA VAL A 60 -16.771 -0.778 13.492 1.00 30.01 H new ATOM 0 HB VAL A 60 -16.346 -2.697 14.995 1.00 64.30 H new ATOM 0 HG11 VAL A 60 -15.105 -4.663 14.174 1.00 53.43 H new ATOM 0 HG12 VAL A 60 -16.757 -4.568 13.521 1.00 53.43 H new ATOM 0 HG13 VAL A 60 -15.371 -4.111 12.503 1.00 53.43 H new ATOM 0 HG21 VAL A 60 -13.880 -2.674 14.780 1.00 24.41 H new ATOM 0 HG22 VAL A 60 -14.047 -1.941 13.167 1.00 24.41 H new ATOM 0 HG23 VAL A 60 -14.599 -1.055 14.608 1.00 24.41 H new ATOM 878 N LEU A 61 -15.704 -0.661 11.298 1.00 33.52 N ATOM 879 CA LEU A 61 -15.134 -0.472 9.970 1.00 74.40 C ATOM 880 C LEU A 61 -13.631 -0.820 9.993 1.00 74.01 C ATOM 881 O LEU A 61 -13.045 -0.894 11.078 1.00 23.31 O ATOM 882 CB LEU A 61 -15.413 0.967 9.402 1.00 60.44 C ATOM 883 CG LEU A 61 -15.359 2.230 10.324 1.00 10.24 C ATOM 884 CD1 LEU A 61 -16.577 2.341 11.234 1.00 74.11 C ATOM 885 CD2 LEU A 61 -14.085 2.300 11.151 1.00 53.11 C ATOM 0 H LEU A 61 -15.551 0.126 11.928 1.00 33.52 H new ATOM 0 HA LEU A 61 -15.629 -1.156 9.281 1.00 74.40 H new ATOM 0 HB2 LEU A 61 -14.701 1.133 8.594 1.00 60.44 H new ATOM 0 HB3 LEU A 61 -16.406 0.944 8.952 1.00 60.44 H new ATOM 0 HG LEU A 61 -15.364 3.081 9.642 1.00 10.24 H new ATOM 0 HD11 LEU A 61 -16.489 3.234 11.852 1.00 74.11 H new ATOM 0 HD12 LEU A 61 -17.480 2.407 10.627 1.00 74.11 H new ATOM 0 HD13 LEU A 61 -16.634 1.461 11.874 1.00 74.11 H new ATOM 0 HD21 LEU A 61 -14.103 3.196 11.771 1.00 53.11 H new ATOM 0 HD22 LEU A 61 -14.016 1.419 11.789 1.00 53.11 H new ATOM 0 HD23 LEU A 61 -13.222 2.335 10.487 1.00 53.11 H new ATOM 897 N PRO A 62 -12.984 -1.099 8.828 1.00 45.45 N ATOM 898 CA PRO A 62 -11.563 -1.456 8.797 1.00 5.22 C ATOM 899 C PRO A 62 -10.613 -0.293 9.056 1.00 35.24 C ATOM 900 O PRO A 62 -11.015 0.849 9.305 1.00 52.42 O ATOM 901 CB PRO A 62 -11.318 -1.958 7.385 1.00 10.51 C ATOM 902 CG PRO A 62 -12.392 -1.347 6.559 1.00 0.33 C ATOM 903 CD PRO A 62 -13.571 -1.137 7.469 1.00 20.32 C ATOM 0 HA PRO A 62 -11.365 -2.180 9.588 1.00 5.22 H new ATOM 0 HB2 PRO A 62 -10.331 -1.662 7.028 1.00 10.51 H new ATOM 0 HB3 PRO A 62 -11.360 -3.046 7.342 1.00 10.51 H new ATOM 0 HG2 PRO A 62 -12.060 -0.401 6.131 1.00 0.33 H new ATOM 0 HG3 PRO A 62 -12.657 -1.998 5.726 1.00 0.33 H new ATOM 0 HD2 PRO A 62 -14.093 -0.209 7.235 1.00 20.32 H new ATOM 0 HD3 PRO A 62 -14.297 -1.944 7.372 1.00 20.32 H new ATOM 911 N THR A 63 -9.334 -0.619 8.972 1.00 21.31 N ATOM 912 CA THR A 63 -8.259 0.310 9.177 1.00 12.11 C ATOM 913 C THR A 63 -7.124 -0.048 8.225 1.00 24.43 C ATOM 914 O THR A 63 -6.522 -1.116 8.351 1.00 24.14 O ATOM 915 CB THR A 63 -7.736 0.257 10.626 1.00 5.23 C ATOM 916 OG1 THR A 63 -8.819 0.374 11.559 1.00 55.00 O ATOM 917 CG2 THR A 63 -6.751 1.377 10.858 1.00 52.22 C ATOM 0 H THR A 63 -9.017 -1.563 8.753 1.00 21.31 H new ATOM 0 HA THR A 63 -8.628 1.318 8.987 1.00 12.11 H new ATOM 0 HB THR A 63 -7.242 -0.703 10.778 1.00 5.23 H new ATOM 0 HG1 THR A 63 -8.468 0.337 12.473 1.00 55.00 H new ATOM 0 HG21 THR A 63 -6.386 1.333 11.884 1.00 52.22 H new ATOM 0 HG22 THR A 63 -5.913 1.273 10.169 1.00 52.22 H new ATOM 0 HG23 THR A 63 -7.243 2.335 10.688 1.00 52.22 H new ATOM 925 N ALA A 64 -6.865 0.808 7.253 1.00 11.21 N ATOM 926 CA ALA A 64 -5.746 0.613 6.358 1.00 31.53 C ATOM 927 C ALA A 64 -4.499 1.258 6.940 1.00 20.23 C ATOM 928 O ALA A 64 -4.375 2.484 7.000 1.00 14.11 O ATOM 929 CB ALA A 64 -6.052 1.163 4.982 1.00 11.24 C ATOM 0 H ALA A 64 -7.417 1.645 7.066 1.00 11.21 H new ATOM 0 HA ALA A 64 -5.566 -0.457 6.251 1.00 31.53 H new ATOM 0 HB1 ALA A 64 -5.195 1.004 4.328 1.00 11.24 H new ATOM 0 HB2 ALA A 64 -6.922 0.651 4.571 1.00 11.24 H new ATOM 0 HB3 ALA A 64 -6.260 2.231 5.055 1.00 11.24 H new ATOM 935 N ARG A 65 -3.599 0.415 7.391 1.00 42.31 N ATOM 936 CA ARG A 65 -2.351 0.847 7.980 1.00 70.21 C ATOM 937 C ARG A 65 -1.248 0.024 7.335 1.00 52.14 C ATOM 938 O ARG A 65 -1.470 -1.141 7.046 1.00 54.53 O ATOM 939 CB ARG A 65 -2.405 0.651 9.507 1.00 3.44 C ATOM 940 CG ARG A 65 -1.183 1.152 10.261 1.00 44.03 C ATOM 941 CD ARG A 65 -1.378 1.033 11.763 1.00 12.41 C ATOM 942 NE ARG A 65 -0.167 1.395 12.511 1.00 32.24 N ATOM 943 CZ ARG A 65 -0.094 2.391 13.409 1.00 33.22 C ATOM 944 NH1 ARG A 65 -1.122 3.228 13.592 1.00 42.10 N ATOM 945 NH2 ARG A 65 1.032 2.564 14.094 1.00 24.23 N ATOM 0 H ARG A 65 -3.713 -0.598 7.359 1.00 42.31 H new ATOM 0 HA ARG A 65 -2.162 1.906 7.805 1.00 70.21 H new ATOM 0 HB2 ARG A 65 -3.287 1.162 9.893 1.00 3.44 H new ATOM 0 HB3 ARG A 65 -2.534 -0.411 9.718 1.00 3.44 H new ATOM 0 HG2 ARG A 65 -0.306 0.580 9.959 1.00 44.03 H new ATOM 0 HG3 ARG A 65 -0.991 2.192 9.998 1.00 44.03 H new ATOM 0 HD2 ARG A 65 -2.200 1.678 12.073 1.00 12.41 H new ATOM 0 HD3 ARG A 65 -1.664 0.011 12.011 1.00 12.41 H new ATOM 0 HE ARG A 65 0.678 0.852 12.336 1.00 32.24 H new ATOM 0 HH11 ARG A 65 -1.976 3.114 13.046 1.00 42.10 H new ATOM 0 HH12 ARG A 65 -1.052 3.980 14.278 1.00 42.10 H new ATOM 0 HH21 ARG A 65 1.826 1.944 13.934 1.00 24.23 H new ATOM 0 HH22 ARG A 65 1.102 3.316 14.779 1.00 24.23 H new ATOM 959 N PHE A 66 -0.102 0.636 7.058 1.00 32.12 N ATOM 960 CA PHE A 66 0.982 -0.043 6.344 1.00 4.32 C ATOM 961 C PHE A 66 2.334 0.627 6.568 1.00 75.11 C ATOM 962 O PHE A 66 2.407 1.755 7.055 1.00 0.14 O ATOM 963 CB PHE A 66 0.689 -0.186 4.827 1.00 15.54 C ATOM 964 CG PHE A 66 0.343 1.070 4.021 1.00 30.03 C ATOM 965 CD1 PHE A 66 0.309 2.348 4.566 1.00 13.22 C ATOM 966 CD2 PHE A 66 0.043 0.937 2.677 1.00 12.00 C ATOM 967 CE1 PHE A 66 -0.016 3.436 3.797 1.00 24.02 C ATOM 968 CE2 PHE A 66 -0.281 2.026 1.904 1.00 4.53 C ATOM 969 CZ PHE A 66 -0.310 3.274 2.466 1.00 71.11 C ATOM 0 H PHE A 66 0.104 1.601 7.316 1.00 32.12 H new ATOM 0 HA PHE A 66 1.035 -1.045 6.769 1.00 4.32 H new ATOM 0 HB2 PHE A 66 1.562 -0.645 4.364 1.00 15.54 H new ATOM 0 HB3 PHE A 66 -0.137 -0.888 4.715 1.00 15.54 H new ATOM 0 HD1 PHE A 66 0.542 2.486 5.611 1.00 13.22 H new ATOM 0 HD2 PHE A 66 0.064 -0.044 2.226 1.00 12.00 H new ATOM 0 HE1 PHE A 66 -0.041 4.421 4.239 1.00 24.02 H new ATOM 0 HE2 PHE A 66 -0.512 1.898 0.857 1.00 4.53 H new ATOM 0 HZ PHE A 66 -0.564 4.132 1.861 1.00 71.11 H new ATOM 979 N THR A 67 3.399 -0.082 6.209 1.00 52.21 N ATOM 980 CA THR A 67 4.733 0.483 6.222 1.00 60.51 C ATOM 981 C THR A 67 5.556 -0.117 5.071 1.00 0.31 C ATOM 982 O THR A 67 5.290 -1.238 4.615 1.00 72.35 O ATOM 983 CB THR A 67 5.433 0.279 7.607 1.00 25.23 C ATOM 984 OG1 THR A 67 6.433 1.286 7.806 1.00 41.40 O ATOM 985 CG2 THR A 67 6.098 -1.093 7.757 1.00 63.34 C ATOM 0 H THR A 67 3.358 -1.055 5.904 1.00 52.21 H new ATOM 0 HA THR A 67 4.660 1.560 6.072 1.00 60.51 H new ATOM 0 HB THR A 67 4.643 0.351 8.355 1.00 25.23 H new ATOM 0 HG1 THR A 67 6.864 1.151 8.676 1.00 41.40 H new ATOM 0 HG21 THR A 67 6.564 -1.166 8.740 1.00 63.34 H new ATOM 0 HG22 THR A 67 5.346 -1.875 7.652 1.00 63.34 H new ATOM 0 HG23 THR A 67 6.858 -1.215 6.985 1.00 63.34 H new ATOM 993 N SER A 68 6.517 0.647 4.586 1.00 64.13 N ATOM 994 CA SER A 68 7.416 0.188 3.541 1.00 22.04 C ATOM 995 C SER A 68 8.849 0.154 4.058 1.00 25.51 C ATOM 996 O SER A 68 9.156 0.777 5.081 1.00 50.25 O ATOM 997 CB SER A 68 7.305 1.093 2.311 1.00 61.11 C ATOM 998 OG SER A 68 7.504 2.457 2.643 1.00 51.11 O ATOM 0 H SER A 68 6.697 1.600 4.903 1.00 64.13 H new ATOM 0 HA SER A 68 7.131 -0.823 3.249 1.00 22.04 H new ATOM 0 HB2 SER A 68 8.042 0.788 1.568 1.00 61.11 H new ATOM 0 HB3 SER A 68 6.322 0.969 1.856 1.00 61.11 H new ATOM 0 HG SER A 68 8.321 2.783 2.211 1.00 51.11 H new ATOM 1004 N ASP A 69 9.703 -0.587 3.358 1.00 33.00 N ATOM 1005 CA ASP A 69 11.125 -0.693 3.688 1.00 63.32 C ATOM 1006 C ASP A 69 11.823 0.650 3.478 1.00 73.55 C ATOM 1007 O ASP A 69 12.432 1.190 4.406 1.00 63.41 O ATOM 1008 CB ASP A 69 11.762 -1.800 2.835 1.00 52.44 C ATOM 1009 CG ASP A 69 13.275 -1.878 2.931 1.00 4.31 C ATOM 1010 OD1 ASP A 69 13.799 -2.118 4.034 1.00 60.03 O ATOM 1011 OD2 ASP A 69 13.941 -1.699 1.893 1.00 63.45 O ATOM 0 H ASP A 69 9.429 -1.134 2.542 1.00 33.00 H new ATOM 0 HA ASP A 69 11.240 -0.957 4.739 1.00 63.32 H new ATOM 0 HB2 ASP A 69 11.342 -2.760 3.136 1.00 52.44 H new ATOM 0 HB3 ASP A 69 11.485 -1.643 1.793 1.00 52.44 H new ATOM 1016 N ILE A 70 11.709 1.204 2.274 1.00 55.42 N ATOM 1017 CA ILE A 70 12.238 2.532 2.014 1.00 33.55 C ATOM 1018 C ILE A 70 11.120 3.531 1.753 1.00 42.41 C ATOM 1019 O ILE A 70 10.046 3.178 1.254 1.00 2.24 O ATOM 1020 CB ILE A 70 13.289 2.569 0.855 1.00 50.10 C ATOM 1021 CG1 ILE A 70 12.766 1.952 -0.454 1.00 4.41 C ATOM 1022 CG2 ILE A 70 14.577 1.882 1.277 1.00 42.11 C ATOM 1023 CD1 ILE A 70 12.200 2.953 -1.449 1.00 63.05 C ATOM 0 H ILE A 70 11.260 0.758 1.474 1.00 55.42 H new ATOM 0 HA ILE A 70 12.767 2.822 2.922 1.00 33.55 H new ATOM 0 HB ILE A 70 13.486 3.622 0.654 1.00 50.10 H new ATOM 0 HG12 ILE A 70 13.579 1.406 -0.932 1.00 4.41 H new ATOM 0 HG13 ILE A 70 11.992 1.224 -0.212 1.00 4.41 H new ATOM 0 HG21 ILE A 70 15.294 1.919 0.457 1.00 42.11 H new ATOM 0 HG22 ILE A 70 14.993 2.391 2.146 1.00 42.11 H new ATOM 0 HG23 ILE A 70 14.369 0.843 1.531 1.00 42.11 H new ATOM 0 HD11 ILE A 70 11.857 2.426 -2.339 1.00 63.05 H new ATOM 0 HD12 ILE A 70 11.363 3.483 -0.995 1.00 63.05 H new ATOM 0 HD13 ILE A 70 12.975 3.668 -1.726 1.00 63.05 H new ATOM 1035 N THR A 71 11.392 4.764 2.120 1.00 54.12 N ATOM 1036 CA THR A 71 10.516 5.895 1.844 1.00 25.31 C ATOM 1037 C THR A 71 11.333 7.026 1.235 1.00 34.21 C ATOM 1038 O THR A 71 10.792 7.933 0.596 1.00 73.31 O ATOM 1039 CB THR A 71 9.809 6.402 3.117 1.00 30.31 C ATOM 1040 OG1 THR A 71 10.705 6.354 4.238 1.00 13.11 O ATOM 1041 CG2 THR A 71 8.568 5.586 3.421 1.00 2.45 C ATOM 0 H THR A 71 12.240 5.019 2.627 1.00 54.12 H new ATOM 0 HA THR A 71 9.747 5.561 1.148 1.00 25.31 H new ATOM 0 HB THR A 71 9.507 7.434 2.939 1.00 30.31 H new ATOM 0 HG1 THR A 71 10.244 6.680 5.039 1.00 13.11 H new ATOM 0 HG21 THR A 71 8.093 5.969 4.324 1.00 2.45 H new ATOM 0 HG22 THR A 71 7.871 5.659 2.586 1.00 2.45 H new ATOM 0 HG23 THR A 71 8.846 4.543 3.572 1.00 2.45 H new ATOM 1049 N GLU A 72 12.651 6.924 1.419 1.00 73.03 N ATOM 1050 CA GLU A 72 13.595 7.913 0.941 1.00 73.13 C ATOM 1051 C GLU A 72 14.888 7.211 0.547 1.00 71.23 C ATOM 1052 O GLU A 72 15.496 6.498 1.347 1.00 21.34 O ATOM 1053 CB GLU A 72 13.872 8.978 2.010 1.00 34.22 C ATOM 1054 CG GLU A 72 14.721 10.143 1.505 1.00 15.00 C ATOM 1055 CD GLU A 72 15.056 11.145 2.587 1.00 51.12 C ATOM 1056 OE1 GLU A 72 14.173 11.942 2.952 1.00 22.23 O ATOM 1057 OE2 GLU A 72 16.208 11.148 3.068 1.00 75.20 O ATOM 0 H GLU A 72 13.088 6.143 1.909 1.00 73.03 H new ATOM 0 HA GLU A 72 13.169 8.420 0.075 1.00 73.13 H new ATOM 0 HB2 GLU A 72 12.923 9.365 2.381 1.00 34.22 H new ATOM 0 HB3 GLU A 72 14.377 8.510 2.855 1.00 34.22 H new ATOM 0 HG2 GLU A 72 15.646 9.753 1.080 1.00 15.00 H new ATOM 0 HG3 GLU A 72 14.189 10.650 0.700 1.00 15.00 H new ATOM 1064 N GLY A 73 15.282 7.416 -0.689 1.00 25.45 N ATOM 1065 CA GLY A 73 16.445 6.763 -1.237 1.00 21.24 C ATOM 1066 C GLY A 73 16.228 6.493 -2.699 1.00 51.32 C ATOM 1067 O GLY A 73 15.175 6.842 -3.230 1.00 13.44 O ATOM 0 H GLY A 73 14.805 8.039 -1.341 1.00 25.45 H new ATOM 0 HA2 GLY A 73 17.326 7.390 -1.099 1.00 21.24 H new ATOM 0 HA3 GLY A 73 16.633 5.829 -0.708 1.00 21.24 H new ATOM 1071 N PHE A 74 17.189 5.868 -3.351 1.00 54.31 N ATOM 1072 CA PHE A 74 17.032 5.522 -4.756 1.00 24.22 C ATOM 1073 C PHE A 74 16.268 4.203 -4.832 1.00 65.23 C ATOM 1074 O PHE A 74 16.304 3.428 -3.874 1.00 52.42 O ATOM 1075 CB PHE A 74 18.396 5.424 -5.475 1.00 44.54 C ATOM 1076 CG PHE A 74 19.222 4.200 -5.145 1.00 40.33 C ATOM 1077 CD1 PHE A 74 19.881 4.088 -3.932 1.00 33.02 C ATOM 1078 CD2 PHE A 74 19.340 3.165 -6.062 1.00 21.02 C ATOM 1079 CE1 PHE A 74 20.634 2.971 -3.639 1.00 73.43 C ATOM 1080 CE2 PHE A 74 20.092 2.046 -5.772 1.00 42.42 C ATOM 1081 CZ PHE A 74 20.739 1.949 -4.559 1.00 73.43 C ATOM 0 H PHE A 74 18.079 5.590 -2.938 1.00 54.31 H new ATOM 0 HA PHE A 74 16.475 6.307 -5.268 1.00 24.22 H new ATOM 0 HB2 PHE A 74 18.222 5.444 -6.551 1.00 44.54 H new ATOM 0 HB3 PHE A 74 18.980 6.311 -5.231 1.00 44.54 H new ATOM 0 HD1 PHE A 74 19.804 4.885 -3.207 1.00 33.02 H new ATOM 0 HD2 PHE A 74 18.837 3.237 -7.015 1.00 21.02 H new ATOM 0 HE1 PHE A 74 21.142 2.896 -2.689 1.00 73.43 H new ATOM 0 HE2 PHE A 74 20.174 1.247 -6.494 1.00 42.42 H new ATOM 0 HZ PHE A 74 21.328 1.073 -4.329 1.00 73.43 H new ATOM 1091 N ALA A 75 15.546 3.993 -5.932 1.00 72.51 N ATOM 1092 CA ALA A 75 14.749 2.778 -6.147 1.00 4.05 C ATOM 1093 C ALA A 75 15.585 1.489 -6.080 1.00 52.43 C ATOM 1094 O ALA A 75 16.430 1.243 -6.945 1.00 33.40 O ATOM 1095 CB ALA A 75 14.033 2.874 -7.488 1.00 12.22 C ATOM 0 H ALA A 75 15.495 4.659 -6.703 1.00 72.51 H new ATOM 0 HA ALA A 75 14.024 2.717 -5.335 1.00 4.05 H new ATOM 0 HB1 ALA A 75 13.441 1.973 -7.650 1.00 12.22 H new ATOM 0 HB2 ALA A 75 13.377 3.744 -7.489 1.00 12.22 H new ATOM 0 HB3 ALA A 75 14.768 2.973 -8.287 1.00 12.22 H new ATOM 1101 N PRO A 76 15.359 0.653 -5.038 1.00 54.10 N ATOM 1102 CA PRO A 76 16.018 -0.634 -4.884 1.00 23.14 C ATOM 1103 C PRO A 76 15.228 -1.740 -5.582 1.00 63.21 C ATOM 1104 O PRO A 76 14.259 -1.464 -6.285 1.00 63.53 O ATOM 1105 CB PRO A 76 16.032 -0.851 -3.361 1.00 30.21 C ATOM 1106 CG PRO A 76 15.144 0.205 -2.770 1.00 2.33 C ATOM 1107 CD PRO A 76 14.444 0.887 -3.915 1.00 32.23 C ATOM 0 HA PRO A 76 17.014 -0.655 -5.327 1.00 23.14 H new ATOM 0 HB2 PRO A 76 15.670 -1.848 -3.108 1.00 30.21 H new ATOM 0 HB3 PRO A 76 17.045 -0.770 -2.967 1.00 30.21 H new ATOM 0 HG2 PRO A 76 14.421 -0.239 -2.086 1.00 2.33 H new ATOM 0 HG3 PRO A 76 15.729 0.922 -2.194 1.00 2.33 H new ATOM 0 HD2 PRO A 76 13.459 0.459 -4.100 1.00 32.23 H new ATOM 0 HD3 PRO A 76 14.299 1.951 -3.725 1.00 32.23 H new ATOM 1115 N LEU A 77 15.624 -2.986 -5.374 1.00 15.42 N ATOM 1116 CA LEU A 77 14.931 -4.100 -5.988 1.00 45.02 C ATOM 1117 C LEU A 77 13.744 -4.514 -5.105 1.00 63.53 C ATOM 1118 O LEU A 77 12.615 -4.096 -5.349 1.00 4.12 O ATOM 1119 CB LEU A 77 15.904 -5.269 -6.215 1.00 55.24 C ATOM 1120 CG LEU A 77 15.385 -6.401 -7.104 1.00 32.44 C ATOM 1121 CD1 LEU A 77 15.242 -5.927 -8.545 1.00 52.50 C ATOM 1122 CD2 LEU A 77 16.309 -7.607 -7.026 1.00 43.44 C ATOM 0 H LEU A 77 16.417 -3.247 -4.788 1.00 15.42 H new ATOM 0 HA LEU A 77 14.544 -3.802 -6.962 1.00 45.02 H new ATOM 0 HB2 LEU A 77 16.819 -4.875 -6.657 1.00 55.24 H new ATOM 0 HB3 LEU A 77 16.173 -5.688 -5.245 1.00 55.24 H new ATOM 0 HG LEU A 77 14.401 -6.699 -6.742 1.00 32.44 H new ATOM 0 HD11 LEU A 77 14.872 -6.746 -9.162 1.00 52.50 H new ATOM 0 HD12 LEU A 77 14.539 -5.095 -8.586 1.00 52.50 H new ATOM 0 HD13 LEU A 77 16.213 -5.601 -8.919 1.00 52.50 H new ATOM 0 HD21 LEU A 77 15.924 -8.402 -7.665 1.00 43.44 H new ATOM 0 HD22 LEU A 77 17.307 -7.323 -7.361 1.00 43.44 H new ATOM 0 HD23 LEU A 77 16.359 -7.961 -5.996 1.00 43.44 H new ATOM 1134 N SER A 78 14.024 -5.269 -4.050 1.00 64.13 N ATOM 1135 CA SER A 78 12.984 -5.767 -3.164 1.00 32.45 C ATOM 1136 C SER A 78 12.721 -4.766 -2.036 1.00 54.21 C ATOM 1137 O SER A 78 13.496 -4.660 -1.088 1.00 20.54 O ATOM 1138 CB SER A 78 13.388 -7.138 -2.603 1.00 64.42 C ATOM 1139 OG SER A 78 12.363 -7.701 -1.802 1.00 3.52 O ATOM 0 H SER A 78 14.969 -5.550 -3.788 1.00 64.13 H new ATOM 0 HA SER A 78 12.059 -5.886 -3.729 1.00 32.45 H new ATOM 0 HB2 SER A 78 13.619 -7.814 -3.426 1.00 64.42 H new ATOM 0 HB3 SER A 78 14.297 -7.035 -2.011 1.00 64.42 H new ATOM 0 HG SER A 78 12.654 -8.573 -1.463 1.00 3.52 H new ATOM 1145 N VAL A 79 11.644 -3.994 -2.176 1.00 44.40 N ATOM 1146 CA VAL A 79 11.207 -3.082 -1.123 1.00 63.33 C ATOM 1147 C VAL A 79 10.193 -3.801 -0.240 1.00 41.22 C ATOM 1148 O VAL A 79 9.013 -3.869 -0.577 1.00 42.23 O ATOM 1149 CB VAL A 79 10.585 -1.779 -1.702 1.00 14.03 C ATOM 1150 CG1 VAL A 79 10.220 -0.787 -0.600 1.00 21.15 C ATOM 1151 CG2 VAL A 79 11.533 -1.133 -2.699 1.00 64.43 C ATOM 0 H VAL A 79 11.058 -3.983 -3.011 1.00 44.40 H new ATOM 0 HA VAL A 79 12.078 -2.788 -0.538 1.00 63.33 H new ATOM 0 HB VAL A 79 9.665 -2.057 -2.216 1.00 14.03 H new ATOM 0 HG11 VAL A 79 9.789 0.109 -1.046 1.00 21.15 H new ATOM 0 HG12 VAL A 79 9.494 -1.242 0.074 1.00 21.15 H new ATOM 0 HG13 VAL A 79 11.116 -0.519 -0.040 1.00 21.15 H new ATOM 0 HG21 VAL A 79 11.081 -0.223 -3.094 1.00 64.43 H new ATOM 0 HG22 VAL A 79 12.471 -0.886 -2.202 1.00 64.43 H new ATOM 0 HG23 VAL A 79 11.728 -1.826 -3.518 1.00 64.43 H new ATOM 1161 N ARG A 80 10.683 -4.365 0.866 1.00 62.01 N ATOM 1162 CA ARG A 80 9.885 -5.225 1.755 1.00 12.33 C ATOM 1163 C ARG A 80 8.709 -4.461 2.360 1.00 0.11 C ATOM 1164 O ARG A 80 8.885 -3.456 3.043 1.00 44.34 O ATOM 1165 CB ARG A 80 10.767 -5.805 2.868 1.00 22.20 C ATOM 1166 CG ARG A 80 12.074 -6.401 2.368 1.00 10.31 C ATOM 1167 CD ARG A 80 12.816 -7.143 3.463 1.00 10.43 C ATOM 1168 NE ARG A 80 12.171 -8.418 3.802 1.00 31.25 N ATOM 1169 CZ ARG A 80 12.827 -9.561 4.052 1.00 71.55 C ATOM 1170 NH1 ARG A 80 14.163 -9.597 4.042 1.00 4.13 N ATOM 1171 NH2 ARG A 80 12.137 -10.666 4.324 1.00 40.50 N ATOM 0 H ARG A 80 11.647 -4.240 1.175 1.00 62.01 H new ATOM 0 HA ARG A 80 9.483 -6.042 1.156 1.00 12.33 H new ATOM 0 HB2 ARG A 80 10.990 -5.019 3.589 1.00 22.20 H new ATOM 0 HB3 ARG A 80 10.207 -6.575 3.399 1.00 22.20 H new ATOM 0 HG2 ARG A 80 11.869 -7.083 1.543 1.00 10.31 H new ATOM 0 HG3 ARG A 80 12.708 -5.606 1.975 1.00 10.31 H new ATOM 0 HD2 ARG A 80 13.841 -7.330 3.143 1.00 10.43 H new ATOM 0 HD3 ARG A 80 12.869 -6.516 4.353 1.00 10.43 H new ATOM 0 HE ARG A 80 11.152 -8.436 3.851 1.00 31.25 H new ATOM 0 HH11 ARG A 80 14.695 -8.750 3.843 1.00 4.13 H new ATOM 0 HH12 ARG A 80 14.651 -10.472 4.234 1.00 4.13 H new ATOM 0 HH21 ARG A 80 11.117 -10.639 4.341 1.00 40.50 H new ATOM 0 HH22 ARG A 80 12.628 -11.540 4.515 1.00 40.50 H new ATOM 1185 N PHE A 81 7.511 -4.940 2.083 1.00 71.01 N ATOM 1186 CA PHE A 81 6.307 -4.225 2.443 1.00 1.55 C ATOM 1187 C PHE A 81 5.496 -5.021 3.456 1.00 11.12 C ATOM 1188 O PHE A 81 5.305 -6.230 3.307 1.00 61.23 O ATOM 1189 CB PHE A 81 5.474 -3.938 1.189 1.00 63.41 C ATOM 1190 CG PHE A 81 4.548 -2.773 1.353 1.00 43.33 C ATOM 1191 CD1 PHE A 81 4.995 -1.489 1.103 1.00 15.32 C ATOM 1192 CD2 PHE A 81 3.242 -2.953 1.775 1.00 4.31 C ATOM 1193 CE1 PHE A 81 4.160 -0.407 1.273 1.00 21.52 C ATOM 1194 CE2 PHE A 81 2.407 -1.875 1.942 1.00 1.12 C ATOM 1195 CZ PHE A 81 2.868 -0.603 1.693 1.00 64.40 C ATOM 0 H PHE A 81 7.348 -5.827 1.607 1.00 71.01 H new ATOM 0 HA PHE A 81 6.585 -3.276 2.902 1.00 1.55 H new ATOM 0 HB2 PHE A 81 6.144 -3.747 0.351 1.00 63.41 H new ATOM 0 HB3 PHE A 81 4.892 -4.824 0.936 1.00 63.41 H new ATOM 0 HD1 PHE A 81 6.011 -1.333 0.771 1.00 15.32 H new ATOM 0 HD2 PHE A 81 2.876 -3.949 1.975 1.00 4.31 H new ATOM 0 HE1 PHE A 81 4.520 0.592 1.077 1.00 21.52 H new ATOM 0 HE2 PHE A 81 1.389 -2.026 2.269 1.00 1.12 H new ATOM 0 HZ PHE A 81 2.211 0.244 1.828 1.00 64.40 H new ATOM 1205 N LYS A 82 5.032 -4.330 4.493 1.00 5.12 N ATOM 1206 CA LYS A 82 4.193 -4.940 5.517 1.00 72.05 C ATOM 1207 C LYS A 82 2.880 -4.192 5.654 1.00 1.32 C ATOM 1208 O LYS A 82 2.868 -2.969 5.789 1.00 43.33 O ATOM 1209 CB LYS A 82 4.906 -4.966 6.877 1.00 61.31 C ATOM 1210 CG LYS A 82 5.993 -6.026 7.004 1.00 60.13 C ATOM 1211 CD LYS A 82 5.452 -7.457 6.888 1.00 35.44 C ATOM 1212 CE LYS A 82 4.722 -7.935 8.152 1.00 1.33 C ATOM 1213 NZ LYS A 82 3.331 -7.404 8.278 1.00 53.54 N ATOM 0 H LYS A 82 5.225 -3.340 4.646 1.00 5.12 H new ATOM 0 HA LYS A 82 3.993 -5.965 5.204 1.00 72.05 H new ATOM 0 HB2 LYS A 82 5.349 -3.987 7.059 1.00 61.31 H new ATOM 0 HB3 LYS A 82 4.164 -5.130 7.658 1.00 61.31 H new ATOM 0 HG2 LYS A 82 6.743 -5.863 6.230 1.00 60.13 H new ATOM 0 HG3 LYS A 82 6.495 -5.910 7.964 1.00 60.13 H new ATOM 0 HD2 LYS A 82 4.770 -7.512 6.040 1.00 35.44 H new ATOM 0 HD3 LYS A 82 6.279 -8.135 6.676 1.00 35.44 H new ATOM 0 HE2 LYS A 82 4.687 -9.024 8.151 1.00 1.33 H new ATOM 0 HE3 LYS A 82 5.297 -7.635 9.028 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 3.295 -6.704 9.046 1.00 53.54 H new ATOM 0 HZ2 LYS A 82 3.050 -6.952 7.385 1.00 53.54 H new ATOM 0 HZ3 LYS A 82 2.679 -8.186 8.491 1.00 53.54 H new ATOM 1227 N ASP A 83 1.779 -4.929 5.620 1.00 44.22 N ATOM 1228 CA ASP A 83 0.471 -4.343 5.868 1.00 54.11 C ATOM 1229 C ASP A 83 0.054 -4.608 7.313 1.00 54.15 C ATOM 1230 O ASP A 83 0.409 -5.633 7.904 1.00 22.23 O ATOM 1231 CB ASP A 83 -0.597 -4.838 4.871 1.00 0.15 C ATOM 1232 CG ASP A 83 -1.188 -6.201 5.194 1.00 45.23 C ATOM 1233 OD1 ASP A 83 -0.554 -7.215 4.871 1.00 54.25 O ATOM 1234 OD2 ASP A 83 -2.307 -6.250 5.757 1.00 50.14 O ATOM 0 H ASP A 83 1.766 -5.930 5.424 1.00 44.22 H new ATOM 0 HA ASP A 83 0.550 -3.267 5.713 1.00 54.11 H new ATOM 0 HB2 ASP A 83 -1.405 -4.107 4.833 1.00 0.15 H new ATOM 0 HB3 ASP A 83 -0.155 -4.876 3.876 1.00 0.15 H new ATOM 1239 N PHE A 84 -0.638 -3.643 7.882 1.00 33.22 N ATOM 1240 CA PHE A 84 -1.084 -3.685 9.271 1.00 24.44 C ATOM 1241 C PHE A 84 -2.596 -3.458 9.317 1.00 61.01 C ATOM 1242 O PHE A 84 -3.127 -2.894 10.280 1.00 41.42 O ATOM 1243 CB PHE A 84 -0.375 -2.601 10.108 1.00 4.23 C ATOM 1244 CG PHE A 84 1.102 -2.805 10.302 1.00 4.42 C ATOM 1245 CD1 PHE A 84 2.015 -2.294 9.396 1.00 63.12 C ATOM 1246 CD2 PHE A 84 1.576 -3.497 11.405 1.00 73.23 C ATOM 1247 CE1 PHE A 84 3.367 -2.473 9.582 1.00 73.43 C ATOM 1248 CE2 PHE A 84 2.930 -3.679 11.594 1.00 13.12 C ATOM 1249 CZ PHE A 84 3.827 -3.166 10.681 1.00 71.14 C ATOM 0 H PHE A 84 -0.914 -2.793 7.391 1.00 33.22 H new ATOM 0 HA PHE A 84 -0.837 -4.660 9.691 1.00 24.44 H new ATOM 0 HB2 PHE A 84 -0.532 -1.635 9.629 1.00 4.23 H new ATOM 0 HB3 PHE A 84 -0.850 -2.552 11.088 1.00 4.23 H new ATOM 0 HD1 PHE A 84 1.663 -1.748 8.533 1.00 63.12 H new ATOM 0 HD2 PHE A 84 0.878 -3.898 12.124 1.00 73.23 H new ATOM 0 HE1 PHE A 84 4.068 -2.070 8.866 1.00 73.43 H new ATOM 0 HE2 PHE A 84 3.287 -4.223 12.456 1.00 13.12 H new ATOM 0 HZ PHE A 84 4.888 -3.307 10.827 1.00 71.14 H new ATOM 1259 N SER A 85 -3.265 -3.870 8.237 1.00 0.00 N ATOM 1260 CA SER A 85 -4.717 -3.771 8.097 1.00 44.55 C ATOM 1261 C SER A 85 -5.458 -4.446 9.251 1.00 33.24 C ATOM 1262 O SER A 85 -5.217 -5.612 9.563 1.00 13.23 O ATOM 1263 CB SER A 85 -5.136 -4.424 6.791 1.00 22.12 C ATOM 1264 OG SER A 85 -4.273 -4.045 5.734 1.00 2.22 O ATOM 0 H SER A 85 -2.807 -4.286 7.427 1.00 0.00 H new ATOM 0 HA SER A 85 -4.979 -2.713 8.107 1.00 44.55 H new ATOM 0 HB2 SER A 85 -5.126 -5.508 6.903 1.00 22.12 H new ATOM 0 HB3 SER A 85 -6.160 -4.138 6.550 1.00 22.12 H new ATOM 0 HG SER A 85 -3.569 -4.719 5.629 1.00 2.22 H new ATOM 1270 N GLU A 86 -6.353 -3.700 9.879 1.00 12.33 N ATOM 1271 CA GLU A 86 -7.088 -4.188 11.027 1.00 61.44 C ATOM 1272 C GLU A 86 -8.584 -4.151 10.725 1.00 41.40 C ATOM 1273 O GLU A 86 -9.022 -3.301 9.954 1.00 72.01 O ATOM 1274 CB GLU A 86 -6.765 -3.318 12.250 1.00 25.14 C ATOM 1275 CG GLU A 86 -7.220 -3.905 13.582 1.00 71.51 C ATOM 1276 CD GLU A 86 -6.614 -5.267 13.865 1.00 61.50 C ATOM 1277 OE1 GLU A 86 -5.527 -5.328 14.465 1.00 3.04 O ATOM 1278 OE2 GLU A 86 -7.224 -6.290 13.491 1.00 72.34 O ATOM 0 H GLU A 86 -6.587 -2.745 9.607 1.00 12.33 H new ATOM 0 HA GLU A 86 -6.798 -5.216 11.242 1.00 61.44 H new ATOM 0 HB2 GLU A 86 -5.688 -3.154 12.289 1.00 25.14 H new ATOM 0 HB3 GLU A 86 -7.232 -2.342 12.119 1.00 25.14 H new ATOM 0 HG2 GLU A 86 -6.952 -3.220 14.386 1.00 71.51 H new ATOM 0 HG3 GLU A 86 -8.307 -3.989 13.584 1.00 71.51 H new ATOM 1285 N ASN A 87 -9.336 -5.122 11.289 1.00 11.50 N ATOM 1286 CA ASN A 87 -10.822 -5.152 11.252 1.00 72.31 C ATOM 1287 C ASN A 87 -11.354 -5.290 9.821 1.00 61.12 C ATOM 1288 O ASN A 87 -12.439 -4.807 9.493 1.00 10.35 O ATOM 1289 CB ASN A 87 -11.400 -3.889 11.922 1.00 71.22 C ATOM 1290 CG ASN A 87 -11.035 -3.774 13.395 1.00 73.01 C ATOM 1291 OD1 ASN A 87 -11.011 -4.766 14.128 1.00 35.42 O ATOM 1292 ND2 ASN A 87 -10.686 -2.569 13.815 1.00 54.35 N ATOM 0 H ASN A 87 -8.930 -5.914 11.787 1.00 11.50 H new ATOM 0 HA ASN A 87 -11.148 -6.031 11.808 1.00 72.31 H new ATOM 0 HB2 ASN A 87 -11.038 -3.007 11.394 1.00 71.22 H new ATOM 0 HB3 ASN A 87 -12.485 -3.897 11.822 1.00 71.22 H new ATOM 0 HD21 ASN A 87 -10.382 -2.433 14.779 1.00 54.35 H new ATOM 0 HD22 ASN A 87 -10.721 -1.776 13.175 1.00 54.35 H new ATOM 1299 N ALA A 88 -10.589 -5.979 8.980 1.00 33.22 N ATOM 1300 CA ALA A 88 -10.898 -6.084 7.568 1.00 12.24 C ATOM 1301 C ALA A 88 -10.960 -7.534 7.134 1.00 62.43 C ATOM 1302 O ALA A 88 -10.281 -8.394 7.701 1.00 63.54 O ATOM 1303 CB ALA A 88 -9.857 -5.339 6.748 1.00 2.23 C ATOM 0 H ALA A 88 -9.744 -6.476 9.261 1.00 33.22 H new ATOM 0 HA ALA A 88 -11.876 -5.634 7.399 1.00 12.24 H new ATOM 0 HB1 ALA A 88 -10.099 -5.424 5.689 1.00 2.23 H new ATOM 0 HB2 ALA A 88 -9.852 -4.288 7.035 1.00 2.23 H new ATOM 0 HB3 ALA A 88 -8.873 -5.770 6.931 1.00 2.23 H new ATOM 1309 N THR A 89 -11.788 -7.787 6.134 1.00 21.31 N ATOM 1310 CA THR A 89 -11.932 -9.110 5.557 1.00 34.15 C ATOM 1311 C THR A 89 -10.853 -9.343 4.499 1.00 55.32 C ATOM 1312 O THR A 89 -10.076 -10.298 4.590 1.00 34.44 O ATOM 1313 CB THR A 89 -13.334 -9.273 4.929 1.00 51.12 C ATOM 1314 OG1 THR A 89 -14.325 -8.880 5.887 1.00 60.02 O ATOM 1315 CG2 THR A 89 -13.597 -10.713 4.493 1.00 5.45 C ATOM 0 H THR A 89 -12.380 -7.078 5.700 1.00 21.31 H new ATOM 0 HA THR A 89 -11.816 -9.850 6.349 1.00 34.15 H new ATOM 0 HB THR A 89 -13.383 -8.641 4.043 1.00 51.12 H new ATOM 0 HG1 THR A 89 -15.217 -8.979 5.494 1.00 60.02 H new ATOM 0 HG21 THR A 89 -14.593 -10.785 4.057 1.00 5.45 H new ATOM 0 HG22 THR A 89 -12.854 -11.010 3.753 1.00 5.45 H new ATOM 0 HG23 THR A 89 -13.531 -11.373 5.358 1.00 5.45 H new ATOM 1323 N SER A 90 -10.791 -8.451 3.515 1.00 2.02 N ATOM 1324 CA SER A 90 -9.868 -8.604 2.405 1.00 73.40 C ATOM 1325 C SER A 90 -9.001 -7.368 2.233 1.00 21.34 C ATOM 1326 O SER A 90 -9.406 -6.254 2.579 1.00 44.55 O ATOM 1327 CB SER A 90 -10.642 -8.882 1.114 1.00 13.22 C ATOM 1328 OG SER A 90 -11.413 -10.070 1.222 1.00 24.54 O ATOM 0 H SER A 90 -11.372 -7.614 3.468 1.00 2.02 H new ATOM 0 HA SER A 90 -9.214 -9.448 2.625 1.00 73.40 H new ATOM 0 HB2 SER A 90 -11.297 -8.040 0.891 1.00 13.22 H new ATOM 0 HB3 SER A 90 -9.945 -8.973 0.281 1.00 13.22 H new ATOM 0 HG SER A 90 -11.898 -10.222 0.384 1.00 24.54 H new ATOM 1334 N ARG A 91 -7.797 -7.588 1.715 1.00 63.55 N ATOM 1335 CA ARG A 91 -6.906 -6.506 1.330 1.00 33.20 C ATOM 1336 C ARG A 91 -6.872 -6.402 -0.195 1.00 13.33 C ATOM 1337 O ARG A 91 -6.819 -7.413 -0.903 1.00 73.20 O ATOM 1338 CB ARG A 91 -5.494 -6.711 1.916 1.00 41.45 C ATOM 1339 CG ARG A 91 -4.844 -8.035 1.537 1.00 24.20 C ATOM 1340 CD ARG A 91 -3.422 -8.157 2.054 1.00 20.22 C ATOM 1341 NE ARG A 91 -3.337 -8.262 3.512 1.00 43.44 N ATOM 1342 CZ ARG A 91 -3.219 -9.415 4.187 1.00 52.41 C ATOM 1343 NH1 ARG A 91 -3.325 -10.591 3.565 1.00 30.25 N ATOM 1344 NH2 ARG A 91 -2.996 -9.385 5.494 1.00 74.14 N ATOM 0 H ARG A 91 -7.415 -8.520 1.552 1.00 63.55 H new ATOM 0 HA ARG A 91 -7.282 -5.568 1.739 1.00 33.20 H new ATOM 0 HB2 ARG A 91 -4.853 -5.896 1.581 1.00 41.45 H new ATOM 0 HB3 ARG A 91 -5.551 -6.646 3.003 1.00 41.45 H new ATOM 0 HG2 ARG A 91 -5.442 -8.856 1.933 1.00 24.20 H new ATOM 0 HG3 ARG A 91 -4.842 -8.137 0.452 1.00 24.20 H new ATOM 0 HD2 ARG A 91 -2.955 -9.035 1.607 1.00 20.22 H new ATOM 0 HD3 ARG A 91 -2.849 -7.290 1.726 1.00 20.22 H new ATOM 0 HE ARG A 91 -3.370 -7.397 4.052 1.00 43.44 H new ATOM 0 HH11 ARG A 91 -3.498 -10.623 2.560 1.00 30.25 H new ATOM 0 HH12 ARG A 91 -3.233 -11.458 4.094 1.00 30.25 H new ATOM 0 HH21 ARG A 91 -2.916 -8.490 5.977 1.00 74.14 H new ATOM 0 HH22 ARG A 91 -2.905 -10.257 6.016 1.00 74.14 H new ATOM 1358 N LEU A 92 -6.932 -5.183 -0.693 1.00 51.40 N ATOM 1359 CA LEU A 92 -6.952 -4.926 -2.119 1.00 35.40 C ATOM 1360 C LEU A 92 -5.671 -4.192 -2.477 1.00 1.22 C ATOM 1361 O LEU A 92 -5.443 -3.063 -2.033 1.00 65.22 O ATOM 1362 CB LEU A 92 -8.214 -4.106 -2.475 1.00 40.43 C ATOM 1363 CG LEU A 92 -8.632 -4.034 -3.962 1.00 62.33 C ATOM 1364 CD1 LEU A 92 -10.105 -3.678 -4.063 1.00 61.22 C ATOM 1365 CD2 LEU A 92 -7.821 -3.011 -4.747 1.00 33.42 C ATOM 0 H LEU A 92 -6.968 -4.341 -0.119 1.00 51.40 H new ATOM 0 HA LEU A 92 -6.997 -5.852 -2.693 1.00 35.40 H new ATOM 0 HB2 LEU A 92 -9.051 -4.518 -1.912 1.00 40.43 H new ATOM 0 HB3 LEU A 92 -8.062 -3.087 -2.120 1.00 40.43 H new ATOM 0 HG LEU A 92 -8.441 -5.016 -4.396 1.00 62.33 H new ATOM 0 HD11 LEU A 92 -10.396 -3.628 -5.112 1.00 61.22 H new ATOM 0 HD12 LEU A 92 -10.699 -4.439 -3.557 1.00 61.22 H new ATOM 0 HD13 LEU A 92 -10.279 -2.711 -3.592 1.00 61.22 H new ATOM 0 HD21 LEU A 92 -8.155 -3.001 -5.785 1.00 33.42 H new ATOM 0 HD22 LEU A 92 -7.963 -2.022 -4.311 1.00 33.42 H new ATOM 0 HD23 LEU A 92 -6.765 -3.277 -4.708 1.00 33.42 H new ATOM 1377 N TRP A 93 -4.821 -4.854 -3.243 1.00 55.23 N ATOM 1378 CA TRP A 93 -3.583 -4.248 -3.689 1.00 22.24 C ATOM 1379 C TRP A 93 -3.756 -3.591 -5.049 1.00 35.51 C ATOM 1380 O TRP A 93 -4.123 -4.249 -6.030 1.00 43.51 O ATOM 1381 CB TRP A 93 -2.453 -5.284 -3.741 1.00 43.11 C ATOM 1382 CG TRP A 93 -1.983 -5.754 -2.390 1.00 54.35 C ATOM 1383 CD1 TRP A 93 -1.985 -7.037 -1.922 1.00 60.35 C ATOM 1384 CD2 TRP A 93 -1.440 -4.943 -1.336 1.00 30.32 C ATOM 1385 NE1 TRP A 93 -1.459 -7.077 -0.651 1.00 3.13 N ATOM 1386 CE2 TRP A 93 -1.125 -5.804 -0.267 1.00 41.20 C ATOM 1387 CE3 TRP A 93 -1.186 -3.572 -1.192 1.00 32.41 C ATOM 1388 CZ2 TRP A 93 -0.561 -5.339 0.923 1.00 62.41 C ATOM 1389 CZ3 TRP A 93 -0.634 -3.117 -0.013 1.00 54.31 C ATOM 1390 CH2 TRP A 93 -0.329 -3.996 1.032 1.00 13.22 C ATOM 0 H TRP A 93 -4.967 -5.810 -3.568 1.00 55.23 H new ATOM 0 HA TRP A 93 -3.313 -3.478 -2.966 1.00 22.24 H new ATOM 0 HB2 TRP A 93 -2.792 -6.146 -4.315 1.00 43.11 H new ATOM 0 HB3 TRP A 93 -1.607 -4.856 -4.279 1.00 43.11 H new ATOM 0 HD1 TRP A 93 -2.347 -7.895 -2.469 1.00 60.35 H new ATOM 0 HE1 TRP A 93 -1.337 -7.918 -0.086 1.00 3.13 H new ATOM 0 HE3 TRP A 93 -1.419 -2.884 -1.991 1.00 32.41 H new ATOM 0 HZ2 TRP A 93 -0.317 -6.016 1.728 1.00 62.41 H new ATOM 0 HZ3 TRP A 93 -0.433 -2.062 0.106 1.00 54.31 H new ATOM 0 HH2 TRP A 93 0.099 -3.606 1.944 1.00 13.22 H new ATOM 1401 N MET A 94 -3.546 -2.281 -5.082 1.00 2.14 N ATOM 1402 CA MET A 94 -3.516 -1.534 -6.331 1.00 12.31 C ATOM 1403 C MET A 94 -2.240 -0.707 -6.414 1.00 34.14 C ATOM 1404 O MET A 94 -1.957 0.127 -5.546 1.00 23.44 O ATOM 1405 CB MET A 94 -4.778 -0.671 -6.523 1.00 10.22 C ATOM 1406 CG MET A 94 -5.181 0.211 -5.351 1.00 61.40 C ATOM 1407 SD MET A 94 -6.630 1.216 -5.745 1.00 73.42 S ATOM 1408 CE MET A 94 -6.802 2.200 -4.258 1.00 5.14 C ATOM 0 H MET A 94 -3.393 -1.711 -4.250 1.00 2.14 H new ATOM 0 HA MET A 94 -3.514 -2.249 -7.154 1.00 12.31 H new ATOM 0 HB2 MET A 94 -4.626 -0.033 -7.394 1.00 10.22 H new ATOM 0 HB3 MET A 94 -5.612 -1.333 -6.755 1.00 10.22 H new ATOM 0 HG2 MET A 94 -5.394 -0.412 -4.482 1.00 61.40 H new ATOM 0 HG3 MET A 94 -4.349 0.861 -5.081 1.00 61.40 H new ATOM 0 HE1 MET A 94 -7.855 2.429 -4.093 1.00 5.14 H new ATOM 0 HE2 MET A 94 -6.414 1.642 -3.406 1.00 5.14 H new ATOM 0 HE3 MET A 94 -6.241 3.128 -4.369 1.00 5.14 H new ATOM 1418 N PHE A 95 -1.450 -0.986 -7.446 1.00 25.51 N ATOM 1419 CA PHE A 95 -0.128 -0.363 -7.603 1.00 42.24 C ATOM 1420 C PHE A 95 -0.004 0.431 -8.907 1.00 51.01 C ATOM 1421 O PHE A 95 1.098 0.848 -9.270 1.00 20.14 O ATOM 1422 CB PHE A 95 0.978 -1.434 -7.580 1.00 14.30 C ATOM 1423 CG PHE A 95 1.078 -2.231 -6.306 1.00 1.01 C ATOM 1424 CD1 PHE A 95 1.449 -1.624 -5.116 1.00 62.05 C ATOM 1425 CD2 PHE A 95 0.811 -3.590 -6.303 1.00 45.31 C ATOM 1426 CE1 PHE A 95 1.549 -2.358 -3.951 1.00 51.13 C ATOM 1427 CE2 PHE A 95 0.911 -4.328 -5.138 1.00 12.35 C ATOM 1428 CZ PHE A 95 1.282 -3.711 -3.963 1.00 12.21 C ATOM 0 H PHE A 95 -1.697 -1.639 -8.190 1.00 25.51 H new ATOM 0 HA PHE A 95 -0.013 0.326 -6.766 1.00 42.24 H new ATOM 0 HB2 PHE A 95 0.810 -2.123 -8.408 1.00 14.30 H new ATOM 0 HB3 PHE A 95 1.936 -0.947 -7.760 1.00 14.30 H new ATOM 0 HD1 PHE A 95 1.662 -0.565 -5.100 1.00 62.05 H new ATOM 0 HD2 PHE A 95 0.521 -4.079 -7.221 1.00 45.31 H new ATOM 0 HE1 PHE A 95 1.836 -1.873 -3.030 1.00 51.13 H new ATOM 0 HE2 PHE A 95 0.699 -5.387 -5.149 1.00 12.35 H new ATOM 0 HZ PHE A 95 1.364 -4.286 -3.053 1.00 12.21 H new ATOM 1438 N GLY A 96 -1.120 0.660 -9.598 1.00 51.54 N ATOM 1439 CA GLY A 96 -1.051 1.170 -10.960 1.00 22.31 C ATOM 1440 C GLY A 96 -0.757 0.027 -11.903 1.00 51.15 C ATOM 1441 O GLY A 96 0.262 0.008 -12.595 1.00 11.44 O ATOM 0 H GLY A 96 -2.063 0.503 -9.243 1.00 51.54 H new ATOM 0 HA2 GLY A 96 -1.993 1.648 -11.231 1.00 22.31 H new ATOM 0 HA3 GLY A 96 -0.274 1.931 -11.038 1.00 22.31 H new ATOM 1445 N ASP A 97 -1.671 -0.926 -11.904 1.00 35.13 N ATOM 1446 CA ASP A 97 -1.418 -2.252 -12.442 1.00 31.32 C ATOM 1447 C ASP A 97 -2.582 -2.663 -13.351 1.00 64.11 C ATOM 1448 O ASP A 97 -3.370 -1.814 -13.785 1.00 23.43 O ATOM 1449 CB ASP A 97 -1.218 -3.247 -11.282 1.00 4.42 C ATOM 1450 CG ASP A 97 -0.210 -4.346 -11.606 1.00 21.24 C ATOM 1451 OD1 ASP A 97 -0.615 -5.399 -12.144 1.00 41.21 O ATOM 1452 OD2 ASP A 97 0.991 -4.148 -11.343 1.00 4.03 O ATOM 0 H ASP A 97 -2.612 -0.803 -11.531 1.00 35.13 H new ATOM 0 HA ASP A 97 -0.508 -2.251 -13.042 1.00 31.32 H new ATOM 0 HB2 ASP A 97 -0.883 -2.704 -10.398 1.00 4.42 H new ATOM 0 HB3 ASP A 97 -2.176 -3.703 -11.032 1.00 4.42 H new ATOM 1457 N GLY A 98 -2.666 -3.956 -13.662 1.00 4.22 N ATOM 1458 CA GLY A 98 -3.828 -4.525 -14.322 1.00 61.24 C ATOM 1459 C GLY A 98 -4.985 -4.715 -13.350 1.00 3.33 C ATOM 1460 O GLY A 98 -5.440 -3.750 -12.720 1.00 52.24 O ATOM 0 H GLY A 98 -1.929 -4.633 -13.462 1.00 4.22 H new ATOM 0 HA2 GLY A 98 -4.140 -3.873 -15.138 1.00 61.24 H new ATOM 0 HA3 GLY A 98 -3.562 -5.485 -14.765 1.00 61.24 H new ATOM 1464 N ASN A 99 -5.499 -5.943 -13.278 1.00 41.53 N ATOM 1465 CA ASN A 99 -6.570 -6.299 -12.333 1.00 70.42 C ATOM 1466 C ASN A 99 -6.141 -6.043 -10.884 1.00 64.14 C ATOM 1467 O ASN A 99 -5.100 -6.530 -10.438 1.00 32.42 O ATOM 1468 CB ASN A 99 -6.987 -7.771 -12.476 1.00 42.20 C ATOM 1469 CG ASN A 99 -7.596 -8.098 -13.826 1.00 73.35 C ATOM 1470 OD1 ASN A 99 -8.794 -7.930 -14.030 1.00 3.41 O ATOM 1471 ND2 ASN A 99 -6.783 -8.590 -14.747 1.00 32.04 N ATOM 0 H ASN A 99 -5.191 -6.717 -13.866 1.00 41.53 H new ATOM 0 HA ASN A 99 -7.422 -5.664 -12.576 1.00 70.42 H new ATOM 0 HB2 ASN A 99 -6.115 -8.405 -12.317 1.00 42.20 H new ATOM 0 HB3 ASN A 99 -7.705 -8.015 -11.693 1.00 42.20 H new ATOM 0 HD21 ASN A 99 -7.147 -8.844 -15.665 1.00 32.04 H new ATOM 0 HD22 ASN A 99 -5.792 -8.715 -14.539 1.00 32.04 H new ATOM 1478 N THR A 100 -6.943 -5.258 -10.168 1.00 34.40 N ATOM 1479 CA THR A 100 -6.686 -4.955 -8.761 1.00 74.21 C ATOM 1480 C THR A 100 -7.200 -6.098 -7.878 1.00 13.31 C ATOM 1481 O THR A 100 -8.018 -6.908 -8.337 1.00 64.00 O ATOM 1482 CB THR A 100 -7.381 -3.648 -8.329 1.00 4.25 C ATOM 1483 OG1 THR A 100 -8.774 -3.688 -8.674 1.00 71.02 O ATOM 1484 CG2 THR A 100 -6.730 -2.435 -8.969 1.00 62.41 C ATOM 0 H THR A 100 -7.783 -4.817 -10.542 1.00 34.40 H new ATOM 0 HA THR A 100 -5.609 -4.837 -8.642 1.00 74.21 H new ATOM 0 HB THR A 100 -7.277 -3.560 -7.248 1.00 4.25 H new ATOM 0 HG1 THR A 100 -9.205 -2.854 -8.393 1.00 71.02 H new ATOM 0 HG21 THR A 100 -7.245 -1.531 -8.643 1.00 62.41 H new ATOM 0 HG22 THR A 100 -5.683 -2.384 -8.670 1.00 62.41 H new ATOM 0 HG23 THR A 100 -6.794 -2.518 -10.054 1.00 62.41 H new ATOM 1602 N THR A 109 8.519 -4.837 -5.966 1.00 10.31 N ATOM 1603 CA THR A 109 9.814 -4.754 -6.605 1.00 72.14 C ATOM 1604 C THR A 109 9.798 -3.646 -7.656 1.00 50.51 C ATOM 1605 O THR A 109 9.050 -3.716 -8.635 1.00 21.24 O ATOM 1606 CB THR A 109 10.170 -6.111 -7.246 1.00 32.32 C ATOM 1607 OG1 THR A 109 10.027 -7.156 -6.270 1.00 22.31 O ATOM 1608 CG2 THR A 109 11.591 -6.117 -7.780 1.00 32.44 C ATOM 0 HA THR A 109 10.573 -4.516 -5.860 1.00 72.14 H new ATOM 0 HB THR A 109 9.489 -6.278 -8.081 1.00 32.32 H new ATOM 0 HG1 THR A 109 9.319 -6.917 -5.636 1.00 22.31 H new ATOM 0 HG21 THR A 109 11.808 -7.088 -8.225 1.00 32.44 H new ATOM 0 HG22 THR A 109 11.699 -5.339 -8.536 1.00 32.44 H new ATOM 0 HG23 THR A 109 12.287 -5.928 -6.963 1.00 32.44 H new ATOM 1616 N PHE A 110 10.607 -2.615 -7.433 1.00 13.41 N ATOM 1617 CA PHE A 110 10.618 -1.458 -8.316 1.00 1.34 C ATOM 1618 C PHE A 110 11.826 -1.505 -9.240 1.00 61.11 C ATOM 1619 O PHE A 110 12.966 -1.375 -8.804 1.00 13.42 O ATOM 1620 CB PHE A 110 10.597 -0.153 -7.506 1.00 21.15 C ATOM 1621 CG PHE A 110 9.410 -0.021 -6.578 1.00 73.41 C ATOM 1622 CD1 PHE A 110 8.130 -0.361 -6.998 1.00 31.45 C ATOM 1623 CD2 PHE A 110 9.577 0.449 -5.288 1.00 11.34 C ATOM 1624 CE1 PHE A 110 7.049 -0.239 -6.147 1.00 32.03 C ATOM 1625 CE2 PHE A 110 8.498 0.574 -4.433 1.00 12.54 C ATOM 1626 CZ PHE A 110 7.233 0.229 -4.863 1.00 53.12 C ATOM 0 H PHE A 110 11.260 -2.559 -6.652 1.00 13.41 H new ATOM 0 HA PHE A 110 9.718 -1.486 -8.930 1.00 1.34 H new ATOM 0 HB2 PHE A 110 11.513 -0.088 -6.919 1.00 21.15 H new ATOM 0 HB3 PHE A 110 10.600 0.691 -8.196 1.00 21.15 H new ATOM 0 HD1 PHE A 110 7.978 -0.726 -8.003 1.00 31.45 H new ATOM 0 HD2 PHE A 110 10.564 0.722 -4.944 1.00 11.34 H new ATOM 0 HE1 PHE A 110 6.060 -0.510 -6.487 1.00 32.03 H new ATOM 0 HE2 PHE A 110 8.645 0.942 -3.428 1.00 12.54 H new ATOM 0 HZ PHE A 110 6.389 0.325 -4.196 1.00 53.12 H new ATOM 1636 N PHE A 111 11.563 -1.703 -10.520 1.00 54.45 N ATOM 1637 CA PHE A 111 12.623 -1.867 -11.512 1.00 3.02 C ATOM 1638 C PHE A 111 13.066 -0.519 -12.084 1.00 71.45 C ATOM 1639 O PHE A 111 14.193 -0.376 -12.551 1.00 22.01 O ATOM 1640 CB PHE A 111 12.154 -2.784 -12.649 1.00 33.25 C ATOM 1641 CG PHE A 111 11.794 -4.183 -12.216 1.00 11.13 C ATOM 1642 CD1 PHE A 111 12.763 -5.171 -12.143 1.00 43.14 C ATOM 1643 CD2 PHE A 111 10.485 -4.512 -11.893 1.00 75.41 C ATOM 1644 CE1 PHE A 111 12.435 -6.458 -11.756 1.00 73.20 C ATOM 1645 CE2 PHE A 111 10.153 -5.795 -11.504 1.00 53.41 C ATOM 1646 CZ PHE A 111 11.130 -6.768 -11.437 1.00 54.51 C ATOM 0 H PHE A 111 10.619 -1.755 -10.903 1.00 54.45 H new ATOM 0 HA PHE A 111 13.477 -2.322 -11.010 1.00 3.02 H new ATOM 0 HB2 PHE A 111 11.287 -2.331 -13.129 1.00 33.25 H new ATOM 0 HB3 PHE A 111 12.941 -2.841 -13.401 1.00 33.25 H new ATOM 0 HD1 PHE A 111 13.787 -4.933 -12.391 1.00 43.14 H new ATOM 0 HD2 PHE A 111 9.716 -3.755 -11.946 1.00 75.41 H new ATOM 0 HE1 PHE A 111 13.200 -7.219 -11.704 1.00 73.20 H new ATOM 0 HE2 PHE A 111 9.131 -6.037 -11.253 1.00 53.41 H new ATOM 0 HZ PHE A 111 10.872 -7.772 -11.135 1.00 54.51 H new ATOM 1656 N ASN A 112 12.173 0.462 -12.035 1.00 22.54 N ATOM 1657 CA ASN A 112 12.443 1.780 -12.599 1.00 11.31 C ATOM 1658 C ASN A 112 12.568 2.829 -11.503 1.00 22.00 C ATOM 1659 O ASN A 112 12.057 2.646 -10.395 1.00 24.34 O ATOM 1660 CB ASN A 112 11.329 2.183 -13.574 1.00 4.34 C ATOM 1661 CG ASN A 112 11.259 1.294 -14.804 1.00 25.21 C ATOM 1662 OD1 ASN A 112 12.275 0.787 -15.282 1.00 72.53 O ATOM 1663 ND2 ASN A 112 10.058 1.083 -15.314 1.00 4.22 N ATOM 0 H ASN A 112 11.251 0.369 -11.608 1.00 22.54 H new ATOM 0 HA ASN A 112 13.389 1.725 -13.137 1.00 11.31 H new ATOM 0 HB2 ASN A 112 10.371 2.150 -13.055 1.00 4.34 H new ATOM 0 HB3 ASN A 112 11.486 3.215 -13.888 1.00 4.34 H new ATOM 0 HD21 ASN A 112 9.949 0.483 -16.131 1.00 4.22 H new ATOM 0 HD22 ASN A 112 9.240 1.521 -14.890 1.00 4.22 H new ATOM 1670 N GLU A 113 13.265 3.913 -11.817 1.00 3.54 N ATOM 1671 CA GLU A 113 13.403 5.051 -10.915 1.00 11.34 C ATOM 1672 C GLU A 113 12.312 6.086 -11.233 1.00 62.12 C ATOM 1673 O GLU A 113 11.786 6.117 -12.350 1.00 15.21 O ATOM 1674 CB GLU A 113 14.811 5.649 -11.079 1.00 2.13 C ATOM 1675 CG GLU A 113 15.244 6.615 -9.979 1.00 44.24 C ATOM 1676 CD GLU A 113 16.698 7.024 -10.108 1.00 33.52 C ATOM 1677 OE1 GLU A 113 17.569 6.152 -9.959 1.00 54.02 O ATOM 1678 OE2 GLU A 113 16.977 8.215 -10.367 1.00 4.33 O ATOM 0 H GLU A 113 13.752 4.029 -12.706 1.00 3.54 H new ATOM 0 HA GLU A 113 13.280 4.737 -9.878 1.00 11.34 H new ATOM 0 HB2 GLU A 113 15.531 4.832 -11.126 1.00 2.13 H new ATOM 0 HB3 GLU A 113 14.857 6.170 -12.035 1.00 2.13 H new ATOM 0 HG2 GLU A 113 14.615 7.505 -10.012 1.00 44.24 H new ATOM 0 HG3 GLU A 113 15.086 6.149 -9.007 1.00 44.24 H new ATOM 1685 N GLY A 114 11.968 6.910 -10.253 1.00 72.42 N ATOM 1686 CA GLY A 114 10.936 7.904 -10.434 1.00 24.53 C ATOM 1687 C GLY A 114 10.095 8.083 -9.195 1.00 3.23 C ATOM 1688 O GLY A 114 10.607 8.485 -8.149 1.00 0.21 O ATOM 0 H GLY A 114 12.393 6.904 -9.326 1.00 72.42 H new ATOM 0 HA2 GLY A 114 11.394 8.856 -10.701 1.00 24.53 H new ATOM 0 HA3 GLY A 114 10.296 7.613 -11.267 1.00 24.53 H new ATOM 1692 N GLU A 115 8.811 7.774 -9.311 1.00 41.31 N ATOM 1693 CA GLU A 115 7.878 7.913 -8.204 1.00 14.45 C ATOM 1694 C GLU A 115 6.816 6.825 -8.284 1.00 33.51 C ATOM 1695 O GLU A 115 6.310 6.517 -9.367 1.00 62.41 O ATOM 1696 CB GLU A 115 7.211 9.285 -8.241 1.00 33.03 C ATOM 1697 CG GLU A 115 6.376 9.604 -7.008 1.00 53.54 C ATOM 1698 CD GLU A 115 5.093 10.311 -7.369 1.00 32.51 C ATOM 1699 OE1 GLU A 115 4.085 9.621 -7.621 1.00 44.20 O ATOM 1700 OE2 GLU A 115 5.091 11.555 -7.435 1.00 3.53 O ATOM 0 H GLU A 115 8.389 7.422 -10.170 1.00 41.31 H new ATOM 0 HA GLU A 115 8.429 7.814 -7.269 1.00 14.45 H new ATOM 0 HB2 GLU A 115 7.981 10.048 -8.353 1.00 33.03 H new ATOM 0 HB3 GLU A 115 6.574 9.344 -9.123 1.00 33.03 H new ATOM 0 HG2 GLU A 115 6.145 8.681 -6.476 1.00 53.54 H new ATOM 0 HG3 GLU A 115 6.956 10.228 -6.327 1.00 53.54 H new ATOM 1707 N TYR A 116 6.505 6.228 -7.144 1.00 52.12 N ATOM 1708 CA TYR A 116 5.464 5.215 -7.059 1.00 51.34 C ATOM 1709 C TYR A 116 4.448 5.595 -6.002 1.00 11.21 C ATOM 1710 O TYR A 116 4.759 6.333 -5.074 1.00 63.12 O ATOM 1711 CB TYR A 116 6.064 3.841 -6.732 1.00 14.41 C ATOM 1712 CG TYR A 116 6.940 3.280 -7.827 1.00 1.34 C ATOM 1713 CD1 TYR A 116 6.395 2.495 -8.833 1.00 13.14 C ATOM 1714 CD2 TYR A 116 8.304 3.536 -7.859 1.00 63.42 C ATOM 1715 CE1 TYR A 116 7.183 1.982 -9.840 1.00 25.31 C ATOM 1716 CE2 TYR A 116 9.096 3.027 -8.864 1.00 63.22 C ATOM 1717 CZ TYR A 116 8.530 2.249 -9.850 1.00 24.30 C ATOM 1718 OH TYR A 116 9.319 1.741 -10.845 1.00 71.52 O ATOM 0 H TYR A 116 6.964 6.430 -6.256 1.00 52.12 H new ATOM 0 HA TYR A 116 4.969 5.156 -8.028 1.00 51.34 H new ATOM 0 HB2 TYR A 116 6.650 3.920 -5.816 1.00 14.41 H new ATOM 0 HB3 TYR A 116 5.254 3.140 -6.533 1.00 14.41 H new ATOM 0 HD1 TYR A 116 5.336 2.283 -8.827 1.00 13.14 H new ATOM 0 HD2 TYR A 116 8.750 4.143 -7.085 1.00 63.42 H new ATOM 0 HE1 TYR A 116 6.744 1.374 -10.617 1.00 25.31 H new ATOM 0 HE2 TYR A 116 10.155 3.237 -8.879 1.00 63.22 H new ATOM 0 HH TYR A 116 10.249 2.012 -10.696 1.00 71.52 H new ATOM 1728 N ILE A 117 3.223 5.119 -6.158 1.00 35.41 N ATOM 1729 CA ILE A 117 2.197 5.317 -5.143 1.00 40.12 C ATOM 1730 C ILE A 117 1.581 3.967 -4.780 1.00 14.23 C ATOM 1731 O ILE A 117 0.919 3.328 -5.605 1.00 72.45 O ATOM 1732 CB ILE A 117 1.074 6.303 -5.587 1.00 43.55 C ATOM 1733 CG1 ILE A 117 1.652 7.633 -6.106 1.00 71.35 C ATOM 1734 CG2 ILE A 117 0.148 6.575 -4.408 1.00 22.41 C ATOM 1735 CD1 ILE A 117 0.632 8.534 -6.780 1.00 63.13 C ATOM 0 H ILE A 117 2.914 4.593 -6.976 1.00 35.41 H new ATOM 0 HA ILE A 117 2.684 5.767 -4.278 1.00 40.12 H new ATOM 0 HB ILE A 117 0.522 5.839 -6.404 1.00 43.55 H new ATOM 0 HG12 ILE A 117 2.101 8.172 -5.271 1.00 71.35 H new ATOM 0 HG13 ILE A 117 2.453 7.417 -6.813 1.00 71.35 H new ATOM 0 HG21 ILE A 117 -0.639 7.264 -4.715 1.00 22.41 H new ATOM 0 HG22 ILE A 117 -0.300 5.639 -4.073 1.00 22.41 H new ATOM 0 HG23 ILE A 117 0.719 7.016 -3.591 1.00 22.41 H new ATOM 0 HD11 ILE A 117 1.120 9.449 -7.116 1.00 63.13 H new ATOM 0 HD12 ILE A 117 0.200 8.017 -7.637 1.00 63.13 H new ATOM 0 HD13 ILE A 117 -0.158 8.784 -6.071 1.00 63.13 H new ATOM 1747 N VAL A 118 1.833 3.531 -3.553 1.00 42.34 N ATOM 1748 CA VAL A 118 1.251 2.300 -3.031 1.00 11.34 C ATOM 1749 C VAL A 118 -0.033 2.630 -2.273 1.00 34.40 C ATOM 1750 O VAL A 118 -0.024 3.452 -1.351 1.00 64.50 O ATOM 1751 CB VAL A 118 2.235 1.537 -2.097 1.00 2.30 C ATOM 1752 CG1 VAL A 118 1.598 0.273 -1.530 1.00 14.53 C ATOM 1753 CG2 VAL A 118 3.521 1.182 -2.833 1.00 14.34 C ATOM 0 H VAL A 118 2.442 4.016 -2.895 1.00 42.34 H new ATOM 0 HA VAL A 118 1.033 1.647 -3.876 1.00 11.34 H new ATOM 0 HB VAL A 118 2.475 2.203 -1.268 1.00 2.30 H new ATOM 0 HG11 VAL A 118 2.312 -0.235 -0.882 1.00 14.53 H new ATOM 0 HG12 VAL A 118 0.712 0.539 -0.954 1.00 14.53 H new ATOM 0 HG13 VAL A 118 1.314 -0.390 -2.348 1.00 14.53 H new ATOM 0 HG21 VAL A 118 4.191 0.650 -2.158 1.00 14.34 H new ATOM 0 HG22 VAL A 118 3.288 0.547 -3.688 1.00 14.34 H new ATOM 0 HG23 VAL A 118 4.005 2.095 -3.180 1.00 14.34 H new ATOM 1763 N SER A 119 -1.130 2.006 -2.674 1.00 51.43 N ATOM 1764 CA SER A 119 -2.400 2.222 -2.015 1.00 71.50 C ATOM 1765 C SER A 119 -2.981 0.914 -1.489 1.00 61.11 C ATOM 1766 O SER A 119 -3.268 -0.018 -2.250 1.00 34.32 O ATOM 1767 CB SER A 119 -3.377 2.920 -2.961 1.00 24.44 C ATOM 1768 OG SER A 119 -2.905 4.210 -3.321 1.00 41.55 O ATOM 0 H SER A 119 -1.162 1.347 -3.452 1.00 51.43 H new ATOM 0 HA SER A 119 -2.232 2.871 -1.155 1.00 71.50 H new ATOM 0 HB2 SER A 119 -3.514 2.316 -3.858 1.00 24.44 H new ATOM 0 HB3 SER A 119 -4.353 3.006 -2.483 1.00 24.44 H new ATOM 0 HG SER A 119 -3.546 4.635 -3.928 1.00 41.55 H new ATOM 1774 N LEU A 120 -3.125 0.863 -0.171 1.00 51.32 N ATOM 1775 CA LEU A 120 -3.742 -0.257 0.514 1.00 64.31 C ATOM 1776 C LEU A 120 -5.168 0.117 0.869 1.00 43.12 C ATOM 1777 O LEU A 120 -5.407 1.032 1.657 1.00 53.04 O ATOM 1778 CB LEU A 120 -2.929 -0.622 1.771 1.00 70.20 C ATOM 1779 CG LEU A 120 -3.512 -1.670 2.741 1.00 72.13 C ATOM 1780 CD1 LEU A 120 -3.787 -3.002 2.052 1.00 33.34 C ATOM 1781 CD2 LEU A 120 -2.556 -1.864 3.896 1.00 43.05 C ATOM 0 H LEU A 120 -2.813 1.606 0.455 1.00 51.32 H new ATOM 0 HA LEU A 120 -3.756 -1.134 -0.134 1.00 64.31 H new ATOM 0 HB2 LEU A 120 -1.953 -0.979 1.443 1.00 70.20 H new ATOM 0 HB3 LEU A 120 -2.760 0.295 2.335 1.00 70.20 H new ATOM 0 HG LEU A 120 -4.469 -1.298 3.106 1.00 72.13 H new ATOM 0 HD11 LEU A 120 -4.196 -3.708 2.775 1.00 33.34 H new ATOM 0 HD12 LEU A 120 -4.504 -2.853 1.244 1.00 33.34 H new ATOM 0 HD13 LEU A 120 -2.858 -3.399 1.644 1.00 33.34 H new ATOM 0 HD21 LEU A 120 -2.963 -2.604 4.585 1.00 43.05 H new ATOM 0 HD22 LEU A 120 -1.594 -2.211 3.518 1.00 43.05 H new ATOM 0 HD23 LEU A 120 -2.420 -0.917 4.419 1.00 43.05 H new ATOM 1793 N ILE A 121 -6.101 -0.581 0.265 1.00 12.11 N ATOM 1794 CA ILE A 121 -7.505 -0.394 0.548 1.00 33.04 C ATOM 1795 C ILE A 121 -8.044 -1.702 1.092 1.00 13.11 C ATOM 1796 O ILE A 121 -7.828 -2.757 0.513 1.00 61.55 O ATOM 1797 CB ILE A 121 -8.317 0.107 -0.698 1.00 15.43 C ATOM 1798 CG1 ILE A 121 -9.837 -0.113 -0.507 1.00 54.02 C ATOM 1799 CG2 ILE A 121 -7.823 -0.540 -1.988 1.00 12.53 C ATOM 1800 CD1 ILE A 121 -10.708 0.474 -1.598 1.00 0.41 C ATOM 0 H ILE A 121 -5.908 -1.295 -0.437 1.00 12.11 H new ATOM 0 HA ILE A 121 -7.621 0.397 1.289 1.00 33.04 H new ATOM 0 HB ILE A 121 -8.146 1.180 -0.785 1.00 15.43 H new ATOM 0 HG12 ILE A 121 -10.029 -1.184 -0.445 1.00 54.02 H new ATOM 0 HG13 ILE A 121 -10.135 0.320 0.448 1.00 54.02 H new ATOM 0 HG21 ILE A 121 -8.409 -0.169 -2.829 1.00 12.53 H new ATOM 0 HG22 ILE A 121 -6.773 -0.292 -2.140 1.00 12.53 H new ATOM 0 HG23 ILE A 121 -7.934 -1.622 -1.918 1.00 12.53 H new ATOM 0 HD11 ILE A 121 -11.756 0.269 -1.377 1.00 0.41 H new ATOM 0 HD12 ILE A 121 -10.552 1.552 -1.648 1.00 0.41 H new ATOM 0 HD13 ILE A 121 -10.445 0.024 -2.555 1.00 0.41 H new ATOM 1812 N VAL A 122 -8.691 -1.636 2.233 1.00 31.03 N ATOM 1813 CA VAL A 122 -9.219 -2.827 2.862 1.00 5.02 C ATOM 1814 C VAL A 122 -10.714 -2.707 3.038 1.00 34.40 C ATOM 1815 O VAL A 122 -11.243 -1.611 3.232 1.00 55.41 O ATOM 1816 CB VAL A 122 -8.524 -3.165 4.204 1.00 42.34 C ATOM 1817 CG1 VAL A 122 -7.156 -3.757 3.936 1.00 33.32 C ATOM 1818 CG2 VAL A 122 -8.398 -1.949 5.112 1.00 2.35 C ATOM 0 H VAL A 122 -8.865 -0.771 2.745 1.00 31.03 H new ATOM 0 HA VAL A 122 -9.004 -3.661 2.194 1.00 5.02 H new ATOM 0 HB VAL A 122 -9.148 -3.892 4.724 1.00 42.34 H new ATOM 0 HG11 VAL A 122 -6.670 -3.993 4.883 1.00 33.32 H new ATOM 0 HG12 VAL A 122 -7.263 -4.667 3.346 1.00 33.32 H new ATOM 0 HG13 VAL A 122 -6.549 -3.037 3.387 1.00 33.32 H new ATOM 0 HG21 VAL A 122 -7.904 -2.237 6.040 1.00 2.35 H new ATOM 0 HG22 VAL A 122 -7.809 -1.181 4.611 1.00 2.35 H new ATOM 0 HG23 VAL A 122 -9.390 -1.557 5.335 1.00 2.35 H new ATOM 1828 N SER A 123 -11.387 -3.836 2.969 1.00 74.20 N ATOM 1829 CA SER A 123 -12.829 -3.857 2.896 1.00 15.43 C ATOM 1830 C SER A 123 -13.420 -4.759 3.963 1.00 34.23 C ATOM 1831 O SER A 123 -12.870 -5.813 4.284 1.00 54.22 O ATOM 1832 CB SER A 123 -13.268 -4.312 1.499 1.00 11.22 C ATOM 1833 OG SER A 123 -12.613 -5.513 1.112 1.00 35.23 O ATOM 0 H SER A 123 -10.952 -4.758 2.962 1.00 74.20 H new ATOM 0 HA SER A 123 -13.200 -2.848 3.077 1.00 15.43 H new ATOM 0 HB2 SER A 123 -14.347 -4.465 1.488 1.00 11.22 H new ATOM 0 HB3 SER A 123 -13.050 -3.528 0.774 1.00 11.22 H new ATOM 0 HG SER A 123 -12.916 -5.777 0.218 1.00 35.23 H new ATOM 1839 N ASN A 124 -14.525 -4.311 4.523 1.00 4.04 N ATOM 1840 CA ASN A 124 -15.313 -5.096 5.453 1.00 52.44 C ATOM 1841 C ASN A 124 -16.779 -4.920 5.036 1.00 21.12 C ATOM 1842 O ASN A 124 -17.058 -4.124 4.130 1.00 41.21 O ATOM 1843 CB ASN A 124 -15.044 -4.613 6.897 1.00 34.40 C ATOM 1844 CG ASN A 124 -15.483 -5.601 7.968 1.00 43.54 C ATOM 1845 OD1 ASN A 124 -15.541 -6.805 7.732 1.00 31.41 O ATOM 1846 ND2 ASN A 124 -15.777 -5.099 9.157 1.00 33.45 N ATOM 0 H ASN A 124 -14.906 -3.382 4.344 1.00 4.04 H new ATOM 0 HA ASN A 124 -15.053 -6.154 5.430 1.00 52.44 H new ATOM 0 HB2 ASN A 124 -13.978 -4.417 7.012 1.00 34.40 H new ATOM 0 HB3 ASN A 124 -15.561 -3.666 7.056 1.00 34.40 H new ATOM 0 HD21 ASN A 124 -16.063 -5.718 9.915 1.00 33.45 H new ATOM 0 HD22 ASN A 124 -15.717 -4.093 9.315 1.00 33.45 H new ATOM 1853 N GLU A 125 -17.721 -5.614 5.681 1.00 25.45 N ATOM 1854 CA GLU A 125 -19.138 -5.539 5.288 1.00 23.24 C ATOM 1855 C GLU A 125 -19.804 -4.243 5.788 1.00 70.24 C ATOM 1856 O GLU A 125 -20.952 -3.946 5.445 1.00 63.34 O ATOM 1857 CB GLU A 125 -19.927 -6.782 5.763 1.00 33.22 C ATOM 1858 CG GLU A 125 -20.293 -6.842 7.256 1.00 33.42 C ATOM 1859 CD GLU A 125 -19.108 -6.935 8.193 1.00 62.44 C ATOM 1860 OE1 GLU A 125 -18.525 -8.027 8.311 1.00 54.24 O ATOM 1861 OE2 GLU A 125 -18.764 -5.911 8.811 1.00 42.44 O ATOM 0 H GLU A 125 -17.534 -6.230 6.472 1.00 25.45 H new ATOM 0 HA GLU A 125 -19.162 -5.523 4.198 1.00 23.24 H new ATOM 0 HB2 GLU A 125 -20.849 -6.841 5.185 1.00 33.22 H new ATOM 0 HB3 GLU A 125 -19.342 -7.669 5.521 1.00 33.22 H new ATOM 0 HG2 GLU A 125 -20.872 -5.954 7.511 1.00 33.42 H new ATOM 0 HG3 GLU A 125 -20.940 -7.703 7.423 1.00 33.42 H new ATOM 1868 N ASN A 126 -19.059 -3.483 6.584 1.00 51.50 N ATOM 1869 CA ASN A 126 -19.512 -2.201 7.087 1.00 34.31 C ATOM 1870 C ASN A 126 -19.099 -1.077 6.133 1.00 72.24 C ATOM 1871 O ASN A 126 -19.957 -0.360 5.618 1.00 61.53 O ATOM 1872 CB ASN A 126 -18.935 -1.959 8.485 1.00 12.12 C ATOM 1873 CG ASN A 126 -19.608 -0.811 9.210 1.00 12.35 C ATOM 1874 OD1 ASN A 126 -20.784 -0.525 8.997 1.00 50.11 O ATOM 1875 ND2 ASN A 126 -18.865 -0.148 10.075 1.00 71.12 N ATOM 0 H ASN A 126 -18.123 -3.743 6.896 1.00 51.50 H new ATOM 0 HA ASN A 126 -20.600 -2.210 7.152 1.00 34.31 H new ATOM 0 HB2 ASN A 126 -19.039 -2.868 9.078 1.00 12.12 H new ATOM 0 HB3 ASN A 126 -17.868 -1.754 8.402 1.00 12.12 H new ATOM 0 HD21 ASN A 126 -19.263 0.634 10.596 1.00 71.12 H new ATOM 0 HD22 ASN A 126 -17.892 -0.417 10.223 1.00 71.12 H new ATOM 1882 N ASP A 127 -17.788 -0.956 5.880 1.00 32.05 N ATOM 1883 CA ASP A 127 -17.243 0.140 5.067 1.00 71.13 C ATOM 1884 C ASP A 127 -15.856 -0.248 4.522 1.00 21.31 C ATOM 1885 O ASP A 127 -15.367 -1.344 4.804 1.00 24.04 O ATOM 1886 CB ASP A 127 -17.160 1.429 5.916 1.00 13.45 C ATOM 1887 CG ASP A 127 -17.166 2.698 5.078 1.00 3.35 C ATOM 1888 OD1 ASP A 127 -18.112 2.900 4.296 1.00 42.30 O ATOM 1889 OD2 ASP A 127 -16.212 3.486 5.183 1.00 44.43 O ATOM 0 H ASP A 127 -17.084 -1.606 6.228 1.00 32.05 H new ATOM 0 HA ASP A 127 -17.903 0.325 4.220 1.00 71.13 H new ATOM 0 HB2 ASP A 127 -18.001 1.455 6.609 1.00 13.45 H new ATOM 0 HB3 ASP A 127 -16.251 1.403 6.518 1.00 13.45 H new ATOM 1894 N SER A 128 -15.246 0.622 3.710 1.00 41.33 N ATOM 1895 CA SER A 128 -13.874 0.420 3.253 1.00 40.42 C ATOM 1896 C SER A 128 -12.986 1.596 3.668 1.00 43.23 C ATOM 1897 O SER A 128 -13.393 2.756 3.585 1.00 31.43 O ATOM 1898 CB SER A 128 -13.817 0.213 1.730 1.00 63.04 C ATOM 1899 OG SER A 128 -14.432 1.283 1.024 1.00 74.04 O ATOM 0 H SER A 128 -15.685 1.473 3.357 1.00 41.33 H new ATOM 0 HA SER A 128 -13.496 -0.485 3.729 1.00 40.42 H new ATOM 0 HB2 SER A 128 -12.778 0.121 1.415 1.00 63.04 H new ATOM 0 HB3 SER A 128 -14.312 -0.723 1.473 1.00 63.04 H new ATOM 0 HG SER A 128 -14.374 1.115 0.060 1.00 74.04 H new ATOM 1905 N ASP A 129 -11.774 1.287 4.115 1.00 25.40 N ATOM 1906 CA ASP A 129 -10.822 2.303 4.551 1.00 24.13 C ATOM 1907 C ASP A 129 -9.568 2.176 3.700 1.00 44.04 C ATOM 1908 O ASP A 129 -9.074 1.068 3.493 1.00 45.14 O ATOM 1909 CB ASP A 129 -10.489 2.124 6.040 1.00 22.23 C ATOM 1910 CG ASP A 129 -9.662 3.268 6.610 1.00 74.52 C ATOM 1911 OD1 ASP A 129 -10.246 4.290 7.016 1.00 1.13 O ATOM 1912 OD2 ASP A 129 -8.424 3.157 6.647 1.00 1.11 O ATOM 0 H ASP A 129 -11.425 0.331 4.185 1.00 25.40 H new ATOM 0 HA ASP A 129 -11.253 3.297 4.428 1.00 24.13 H new ATOM 0 HB2 ASP A 129 -11.417 2.038 6.606 1.00 22.23 H new ATOM 0 HB3 ASP A 129 -9.945 1.189 6.175 1.00 22.23 H new ATOM 1917 N SER A 130 -9.080 3.286 3.161 1.00 35.30 N ATOM 1918 CA SER A 130 -7.940 3.242 2.257 1.00 51.11 C ATOM 1919 C SER A 130 -6.879 4.259 2.660 1.00 53.42 C ATOM 1920 O SER A 130 -7.187 5.409 2.984 1.00 11.04 O ATOM 1921 CB SER A 130 -8.394 3.517 0.823 1.00 4.03 C ATOM 1922 OG SER A 130 -9.686 2.987 0.579 1.00 31.32 O ATOM 0 H SER A 130 -9.453 4.220 3.333 1.00 35.30 H new ATOM 0 HA SER A 130 -7.504 2.245 2.316 1.00 51.11 H new ATOM 0 HB2 SER A 130 -8.400 4.592 0.641 1.00 4.03 H new ATOM 0 HB3 SER A 130 -7.681 3.079 0.124 1.00 4.03 H new ATOM 0 HG SER A 130 -9.950 3.180 -0.345 1.00 31.32 H new ATOM 1928 N ALA A 131 -5.629 3.823 2.629 1.00 72.31 N ATOM 1929 CA ALA A 131 -4.491 4.684 2.905 1.00 65.11 C ATOM 1930 C ALA A 131 -3.529 4.655 1.732 1.00 14.11 C ATOM 1931 O ALA A 131 -3.476 3.670 0.988 1.00 44.31 O ATOM 1932 CB ALA A 131 -3.785 4.256 4.180 1.00 30.32 C ATOM 0 H ALA A 131 -5.375 2.859 2.411 1.00 72.31 H new ATOM 0 HA ALA A 131 -4.851 5.703 3.046 1.00 65.11 H new ATOM 0 HB1 ALA A 131 -2.937 4.915 4.365 1.00 30.32 H new ATOM 0 HB2 ALA A 131 -4.480 4.314 5.018 1.00 30.32 H new ATOM 0 HB3 ALA A 131 -3.431 3.231 4.073 1.00 30.32 H new ATOM 1938 N SER A 132 -2.769 5.726 1.567 1.00 23.42 N ATOM 1939 CA SER A 132 -1.856 5.840 0.449 1.00 2.41 C ATOM 1940 C SER A 132 -0.509 6.396 0.916 1.00 53.24 C ATOM 1941 O SER A 132 -0.449 7.162 1.883 1.00 22.14 O ATOM 1942 CB SER A 132 -2.480 6.745 -0.618 1.00 60.44 C ATOM 1943 OG SER A 132 -1.760 6.690 -1.828 1.00 5.01 O ATOM 0 H SER A 132 -2.769 6.529 2.197 1.00 23.42 H new ATOM 0 HA SER A 132 -1.678 4.854 0.020 1.00 2.41 H new ATOM 0 HB2 SER A 132 -3.512 6.443 -0.794 1.00 60.44 H new ATOM 0 HB3 SER A 132 -2.506 7.773 -0.255 1.00 60.44 H new ATOM 0 HG SER A 132 -2.079 5.934 -2.364 1.00 5.01 H new ATOM 1949 N VAL A 133 0.566 5.989 0.249 1.00 22.22 N ATOM 1950 CA VAL A 133 1.900 6.463 0.579 1.00 45.23 C ATOM 1951 C VAL A 133 2.702 6.709 -0.708 1.00 45.44 C ATOM 1952 O VAL A 133 2.638 5.920 -1.662 1.00 62.10 O ATOM 1953 CB VAL A 133 2.642 5.486 1.560 1.00 30.03 C ATOM 1954 CG1 VAL A 133 2.934 4.120 0.940 1.00 53.22 C ATOM 1955 CG2 VAL A 133 3.921 6.112 2.109 1.00 31.15 C ATOM 0 H VAL A 133 0.536 5.328 -0.527 1.00 22.22 H new ATOM 0 HA VAL A 133 1.808 7.411 1.109 1.00 45.23 H new ATOM 0 HB VAL A 133 1.954 5.315 2.388 1.00 30.03 H new ATOM 0 HG11 VAL A 133 3.447 3.492 1.668 1.00 53.22 H new ATOM 0 HG12 VAL A 133 1.997 3.645 0.648 1.00 53.22 H new ATOM 0 HG13 VAL A 133 3.566 4.247 0.061 1.00 53.22 H new ATOM 0 HG21 VAL A 133 4.409 5.409 2.784 1.00 31.15 H new ATOM 0 HG22 VAL A 133 4.593 6.349 1.284 1.00 31.15 H new ATOM 0 HG23 VAL A 133 3.675 7.025 2.651 1.00 31.15 H new ATOM 1965 N THR A 134 3.400 7.837 -0.751 1.00 62.40 N ATOM 1966 CA THR A 134 4.230 8.186 -1.887 1.00 13.34 C ATOM 1967 C THR A 134 5.641 7.632 -1.694 1.00 15.35 C ATOM 1968 O THR A 134 6.321 7.940 -0.711 1.00 1.33 O ATOM 1969 CB THR A 134 4.276 9.721 -2.091 1.00 62.35 C ATOM 1970 OG1 THR A 134 2.943 10.248 -2.069 1.00 20.42 O ATOM 1971 CG2 THR A 134 4.933 10.088 -3.418 1.00 23.44 C ATOM 0 H THR A 134 3.404 8.529 -0.002 1.00 62.40 H new ATOM 0 HA THR A 134 3.793 7.741 -2.781 1.00 13.34 H new ATOM 0 HB THR A 134 4.868 10.149 -1.282 1.00 62.35 H new ATOM 0 HG1 THR A 134 2.973 11.219 -2.196 1.00 20.42 H new ATOM 0 HG21 THR A 134 4.949 11.172 -3.529 1.00 23.44 H new ATOM 0 HG22 THR A 134 5.954 9.707 -3.436 1.00 23.44 H new ATOM 0 HG23 THR A 134 4.367 9.648 -4.239 1.00 23.44 H new ATOM 1979 N ILE A 135 6.047 6.788 -2.622 1.00 3.14 N ATOM 1980 CA ILE A 135 7.364 6.174 -2.605 1.00 4.24 C ATOM 1981 C ILE A 135 8.300 7.005 -3.474 1.00 75.54 C ATOM 1982 O ILE A 135 7.993 7.281 -4.638 1.00 3.42 O ATOM 1983 CB ILE A 135 7.321 4.706 -3.131 1.00 43.12 C ATOM 1984 CG1 ILE A 135 6.208 3.886 -2.442 1.00 65.21 C ATOM 1985 CG2 ILE A 135 8.675 4.018 -2.959 1.00 31.15 C ATOM 1986 CD1 ILE A 135 6.299 3.810 -0.924 1.00 52.15 C ATOM 0 H ILE A 135 5.470 6.506 -3.415 1.00 3.14 H new ATOM 0 HA ILE A 135 7.722 6.144 -1.576 1.00 4.24 H new ATOM 0 HB ILE A 135 7.092 4.753 -4.196 1.00 43.12 H new ATOM 0 HG12 ILE A 135 5.243 4.317 -2.710 1.00 65.21 H new ATOM 0 HG13 ILE A 135 6.226 2.872 -2.842 1.00 65.21 H new ATOM 0 HG21 ILE A 135 8.614 2.996 -3.334 1.00 31.15 H new ATOM 0 HG22 ILE A 135 9.435 4.565 -3.517 1.00 31.15 H new ATOM 0 HG23 ILE A 135 8.943 4.001 -1.903 1.00 31.15 H new ATOM 0 HD11 ILE A 135 5.472 3.213 -0.539 1.00 52.15 H new ATOM 0 HD12 ILE A 135 7.244 3.348 -0.639 1.00 52.15 H new ATOM 0 HD13 ILE A 135 6.246 4.815 -0.506 1.00 52.15 H new ATOM 1998 N ARG A 136 9.439 7.401 -2.916 1.00 42.53 N ATOM 1999 CA ARG A 136 10.363 8.276 -3.620 1.00 30.52 C ATOM 2000 C ARG A 136 11.566 7.491 -4.102 1.00 64.52 C ATOM 2001 O ARG A 136 12.146 6.701 -3.355 1.00 52.23 O ATOM 2002 CB ARG A 136 10.854 9.438 -2.739 1.00 63.21 C ATOM 2003 CG ARG A 136 9.884 10.606 -2.586 1.00 63.14 C ATOM 2004 CD ARG A 136 8.763 10.313 -1.600 1.00 13.12 C ATOM 2005 NE ARG A 136 7.996 11.516 -1.262 1.00 30.34 N ATOM 2006 CZ ARG A 136 7.207 11.635 -0.187 1.00 54.40 C ATOM 2007 NH1 ARG A 136 6.987 10.596 0.614 1.00 72.01 N ATOM 2008 NH2 ARG A 136 6.607 12.790 0.057 1.00 22.40 N ATOM 0 H ARG A 136 9.742 7.130 -1.981 1.00 42.53 H new ATOM 0 HA ARG A 136 9.816 8.693 -4.465 1.00 30.52 H new ATOM 0 HB2 ARG A 136 11.083 9.047 -1.748 1.00 63.21 H new ATOM 0 HB3 ARG A 136 11.787 9.817 -3.155 1.00 63.21 H new ATOM 0 HG2 ARG A 136 10.433 11.488 -2.255 1.00 63.14 H new ATOM 0 HG3 ARG A 136 9.454 10.845 -3.558 1.00 63.14 H new ATOM 0 HD2 ARG A 136 8.094 9.565 -2.025 1.00 13.12 H new ATOM 0 HD3 ARG A 136 9.184 9.885 -0.690 1.00 13.12 H new ATOM 0 HE ARG A 136 8.069 12.317 -1.889 1.00 30.34 H new ATOM 0 HH11 ARG A 136 7.422 9.696 0.412 1.00 72.01 H new ATOM 0 HH12 ARG A 136 6.384 10.700 1.430 1.00 72.01 H new ATOM 0 HH21 ARG A 136 6.748 13.581 -0.572 1.00 22.40 H new ATOM 0 HH22 ARG A 136 6.004 12.889 0.874 1.00 22.40 H new ATOM 2022 N ALA A 137 11.917 7.706 -5.354 1.00 54.54 N ATOM 2023 CA ALA A 137 13.155 7.203 -5.895 1.00 24.31 C ATOM 2024 C ALA A 137 14.010 8.394 -6.284 1.00 12.31 C ATOM 2025 O ALA A 137 13.683 9.133 -7.220 1.00 54.21 O ATOM 2026 CB ALA A 137 12.901 6.281 -7.069 1.00 34.24 C ATOM 0 H ALA A 137 11.352 8.233 -6.020 1.00 54.54 H new ATOM 0 HA ALA A 137 13.681 6.606 -5.149 1.00 24.31 H new ATOM 0 HB1 ALA A 137 13.852 5.916 -7.458 1.00 34.24 H new ATOM 0 HB2 ALA A 137 12.294 5.436 -6.744 1.00 34.24 H new ATOM 0 HB3 ALA A 137 12.374 6.826 -7.852 1.00 34.24 H new ATOM 2032 N LEU A 138 15.096 8.577 -5.550 1.00 1.20 N ATOM 2033 CA LEU A 138 15.845 9.828 -5.577 1.00 71.34 C ATOM 2034 C LEU A 138 16.704 9.941 -6.816 1.00 1.14 C ATOM 2035 O LEU A 138 17.276 8.955 -7.294 1.00 70.12 O ATOM 2036 CB LEU A 138 16.706 10.003 -4.318 1.00 73.34 C ATOM 2037 CG LEU A 138 15.942 10.094 -2.989 1.00 41.13 C ATOM 2038 CD1 LEU A 138 16.893 10.404 -1.853 1.00 62.12 C ATOM 2039 CD2 LEU A 138 14.835 11.137 -3.045 1.00 72.01 C ATOM 0 H LEU A 138 15.482 7.871 -4.923 1.00 1.20 H new ATOM 0 HA LEU A 138 15.107 10.630 -5.600 1.00 71.34 H new ATOM 0 HB2 LEU A 138 17.402 9.166 -4.258 1.00 73.34 H new ATOM 0 HB3 LEU A 138 17.304 10.907 -4.433 1.00 73.34 H new ATOM 0 HG LEU A 138 15.477 9.124 -2.812 1.00 41.13 H new ATOM 0 HD11 LEU A 138 16.336 10.465 -0.918 1.00 62.12 H new ATOM 0 HD12 LEU A 138 17.641 9.614 -1.779 1.00 62.12 H new ATOM 0 HD13 LEU A 138 17.389 11.356 -2.043 1.00 62.12 H new ATOM 0 HD21 LEU A 138 14.318 11.171 -2.086 1.00 72.01 H new ATOM 0 HD22 LEU A 138 15.267 12.115 -3.259 1.00 72.01 H new ATOM 0 HD23 LEU A 138 14.126 10.873 -3.830 1.00 72.01 H new