USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 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 112 ASN : amide:sc= 0.165 X(o=0.23,f=0.5) USER MOD Set 1.2: A 116 TYR OH : rot 47:sc= 0.062 USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc=-0.00646 K(o=-0.0065,f=-1.9) 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 37:sc= 0.0484 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 44:sc= 0.051 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 -68:sc= 0.322 USER MOD Single : A 68 SER OG : rot 123:sc= 0.419 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 85:sc= 0.709 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0842 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 169:sc= 0 (180deg=-0.142) USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 30:sc= 0.154 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.0531 USER MOD Single : A 124 ASN : amide:sc= -0.215 K(o=-0.21,f=-5.3!) USER MOD Single : A 126 ASN : amide:sc= -2.32 K(o=-2.3,f=-1.8) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 29:sc= 0.172 USER MOD Single : A 132 SER OG : rot 16:sc= 0.373 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 27.401 15.696 139.064 1.00 70.30 N ATOM 35 CA ALA A 3 27.559 16.571 137.910 1.00 43.24 C ATOM 36 C ALA A 3 26.420 17.581 137.818 1.00 22.40 C ATOM 37 O ALA A 3 25.294 17.314 138.249 1.00 64.01 O ATOM 38 CB ALA A 3 27.628 15.736 136.639 1.00 50.05 C ATOM 0 HA ALA A 3 28.488 17.129 138.028 1.00 43.24 H new ATOM 0 HB1 ALA A 3 27.746 16.393 135.778 1.00 50.05 H new ATOM 0 HB2 ALA A 3 28.478 15.056 136.696 1.00 50.05 H new ATOM 0 HB3 ALA A 3 26.709 15.160 136.532 1.00 50.05 H new ATOM 44 N ARG A 4 26.734 18.745 137.259 1.00 42.45 N ATOM 45 CA ARG A 4 25.731 19.765 136.969 1.00 32.31 C ATOM 46 C ARG A 4 25.185 19.522 135.569 1.00 52.43 C ATOM 47 O ARG A 4 25.927 19.600 134.584 1.00 44.43 O ATOM 48 CB ARG A 4 26.302 21.195 137.035 1.00 74.12 C ATOM 49 CG ARG A 4 26.562 21.757 138.434 1.00 62.11 C ATOM 50 CD ARG A 4 27.805 21.170 139.094 1.00 44.12 C ATOM 51 NE ARG A 4 28.994 21.294 138.245 1.00 50.03 N ATOM 52 CZ ARG A 4 30.184 20.747 138.512 1.00 44.32 C ATOM 53 NH1 ARG A 4 30.395 20.124 139.669 1.00 12.30 N ATOM 54 NH2 ARG A 4 31.169 20.849 137.629 1.00 64.54 N ATOM 0 H ARG A 4 27.684 19.007 136.996 1.00 42.45 H new ATOM 0 HA ARG A 4 24.951 19.688 137.726 1.00 32.31 H new ATOM 0 HB2 ARG A 4 27.239 21.215 136.479 1.00 74.12 H new ATOM 0 HB3 ARG A 4 25.611 21.863 136.521 1.00 74.12 H new ATOM 0 HG2 ARG A 4 26.669 22.840 138.370 1.00 62.11 H new ATOM 0 HG3 ARG A 4 25.695 21.559 139.065 1.00 62.11 H new ATOM 0 HD2 ARG A 4 27.984 21.676 140.043 1.00 44.12 H new ATOM 0 HD3 ARG A 4 27.631 20.118 139.321 1.00 44.12 H new ATOM 0 HE ARG A 4 28.907 21.838 137.387 1.00 50.03 H new ATOM 0 HH11 ARG A 4 29.646 20.062 140.359 1.00 12.30 H new ATOM 0 HH12 ARG A 4 31.306 19.709 139.866 1.00 12.30 H new ATOM 0 HH21 ARG A 4 31.017 21.344 136.750 1.00 64.54 H new ATOM 0 HH22 ARG A 4 32.078 20.433 137.829 1.00 64.54 H new ATOM 68 N ASP A 5 23.907 19.200 135.477 1.00 42.23 N ATOM 69 CA ASP A 5 23.296 18.948 134.189 1.00 5.30 C ATOM 70 C ASP A 5 22.072 19.828 133.981 1.00 64.31 C ATOM 71 O ASP A 5 21.185 19.930 134.842 1.00 0.22 O ATOM 72 CB ASP A 5 22.973 17.452 133.998 1.00 12.24 C ATOM 73 CG ASP A 5 21.843 16.920 134.869 1.00 73.12 C ATOM 74 OD1 ASP A 5 22.036 16.787 136.095 1.00 71.22 O ATOM 75 OD2 ASP A 5 20.772 16.616 134.316 1.00 72.02 O ATOM 0 H ASP A 5 23.278 19.108 136.274 1.00 42.23 H new ATOM 0 HA ASP A 5 24.020 19.214 133.419 1.00 5.30 H new ATOM 0 HB2 ASP A 5 22.716 17.282 132.952 1.00 12.24 H new ATOM 0 HB3 ASP A 5 23.873 16.873 134.203 1.00 12.24 H new ATOM 80 N ASN A 6 22.068 20.501 132.840 1.00 52.24 N ATOM 81 CA ASN A 6 20.981 21.380 132.445 1.00 23.40 C ATOM 82 C ASN A 6 20.961 21.462 130.924 1.00 31.24 C ATOM 83 O ASN A 6 21.960 21.833 130.300 1.00 72.30 O ATOM 84 CB ASN A 6 21.164 22.775 133.065 1.00 64.30 C ATOM 85 CG ASN A 6 19.876 23.586 133.152 1.00 64.10 C ATOM 86 OD1 ASN A 6 18.967 23.450 132.333 1.00 74.35 O ATOM 87 ND2 ASN A 6 19.795 24.441 134.161 1.00 22.02 N ATOM 0 H ASN A 6 22.825 20.451 132.158 1.00 52.24 H new ATOM 0 HA ASN A 6 20.031 20.984 132.804 1.00 23.40 H new ATOM 0 HB2 ASN A 6 21.581 22.665 134.066 1.00 64.30 H new ATOM 0 HB3 ASN A 6 21.893 23.331 132.475 1.00 64.30 H new ATOM 0 HD21 ASN A 6 18.959 25.014 134.278 1.00 22.02 H new ATOM 0 HD22 ASN A 6 20.569 24.527 134.820 1.00 22.02 H new ATOM 94 N LYS A 7 19.826 21.108 130.341 1.00 21.54 N ATOM 95 CA LYS A 7 19.666 21.083 128.892 1.00 31.31 C ATOM 96 C LYS A 7 19.420 22.495 128.366 1.00 3.04 C ATOM 97 O LYS A 7 18.670 23.269 128.967 1.00 64.10 O ATOM 98 CB LYS A 7 18.488 20.181 128.493 1.00 51.44 C ATOM 99 CG LYS A 7 18.448 18.822 129.192 1.00 43.53 C ATOM 100 CD LYS A 7 19.603 17.911 128.786 1.00 63.11 C ATOM 101 CE LYS A 7 19.453 17.374 127.368 1.00 31.51 C ATOM 102 NZ LYS A 7 20.568 16.462 127.003 1.00 33.43 N ATOM 0 H LYS A 7 18.991 20.830 130.856 1.00 21.54 H new ATOM 0 HA LYS A 7 20.582 20.685 128.456 1.00 31.31 H new ATOM 0 HB2 LYS A 7 17.558 20.709 128.705 1.00 51.44 H new ATOM 0 HB3 LYS A 7 18.524 20.018 127.416 1.00 51.44 H new ATOM 0 HG2 LYS A 7 18.473 18.973 130.271 1.00 43.53 H new ATOM 0 HG3 LYS A 7 17.504 18.328 128.961 1.00 43.53 H new ATOM 0 HD2 LYS A 7 20.541 18.461 128.865 1.00 63.11 H new ATOM 0 HD3 LYS A 7 19.664 17.075 129.483 1.00 63.11 H new ATOM 0 HE2 LYS A 7 18.505 16.843 127.279 1.00 31.51 H new ATOM 0 HE3 LYS A 7 19.420 18.207 126.665 1.00 31.51 H new ATOM 0 HZ1 LYS A 7 20.431 16.117 126.031 1.00 33.43 H new ATOM 0 HZ2 LYS A 7 21.470 16.975 127.064 1.00 33.43 H new ATOM 0 HZ3 LYS A 7 20.584 15.654 127.658 1.00 33.43 H new ATOM 116 N PHE A 8 20.072 22.832 127.262 1.00 23.51 N ATOM 117 CA PHE A 8 19.857 24.110 126.605 1.00 12.52 C ATOM 118 C PHE A 8 18.709 23.988 125.608 1.00 4.23 C ATOM 119 O PHE A 8 18.883 23.497 124.486 1.00 52.24 O ATOM 120 CB PHE A 8 21.129 24.597 125.892 1.00 14.12 C ATOM 121 CG PHE A 8 22.267 24.958 126.807 1.00 74.54 C ATOM 122 CD1 PHE A 8 23.203 24.007 127.184 1.00 52.25 C ATOM 123 CD2 PHE A 8 22.412 26.257 127.273 1.00 72.43 C ATOM 124 CE1 PHE A 8 24.255 24.342 128.015 1.00 20.33 C ATOM 125 CE2 PHE A 8 23.460 26.596 128.104 1.00 55.41 C ATOM 126 CZ PHE A 8 24.386 25.637 128.471 1.00 50.20 C ATOM 0 H PHE A 8 20.758 22.233 126.802 1.00 23.51 H new ATOM 0 HA PHE A 8 19.602 24.846 127.367 1.00 12.52 H new ATOM 0 HB2 PHE A 8 21.465 23.819 125.207 1.00 14.12 H new ATOM 0 HB3 PHE A 8 20.878 25.468 125.286 1.00 14.12 H new ATOM 0 HD1 PHE A 8 23.109 22.993 126.824 1.00 52.25 H new ATOM 0 HD2 PHE A 8 21.696 27.011 126.982 1.00 72.43 H new ATOM 0 HE1 PHE A 8 24.974 23.591 128.307 1.00 20.33 H new ATOM 0 HE2 PHE A 8 23.557 27.609 128.467 1.00 55.41 H new ATOM 0 HZ PHE A 8 25.212 25.902 129.115 1.00 50.20 H new ATOM 136 N ASN A 9 17.527 24.417 126.034 1.00 1.31 N ATOM 137 CA ASN A 9 16.324 24.301 125.216 1.00 41.55 C ATOM 138 C ASN A 9 16.139 25.562 124.383 1.00 60.24 C ATOM 139 O ASN A 9 15.449 26.499 124.785 1.00 4.35 O ATOM 140 CB ASN A 9 15.078 24.029 126.082 1.00 40.41 C ATOM 141 CG ASN A 9 15.065 22.651 126.742 1.00 73.12 C ATOM 142 OD1 ASN A 9 16.101 22.089 127.084 1.00 21.25 O ATOM 143 ND2 ASN A 9 13.880 22.098 126.931 1.00 22.40 N ATOM 0 H ASN A 9 17.375 24.850 126.945 1.00 1.31 H new ATOM 0 HA ASN A 9 16.447 23.450 124.546 1.00 41.55 H new ATOM 0 HB2 ASN A 9 15.014 24.792 126.858 1.00 40.41 H new ATOM 0 HB3 ASN A 9 14.188 24.131 125.461 1.00 40.41 H new ATOM 0 HD21 ASN A 9 13.810 21.181 127.371 1.00 22.40 H new ATOM 0 HD22 ASN A 9 13.036 22.588 126.637 1.00 22.40 H new ATOM 150 N THR A 10 16.831 25.598 123.250 1.00 74.23 N ATOM 151 CA THR A 10 16.766 26.715 122.323 1.00 2.22 C ATOM 152 C THR A 10 16.659 26.172 120.905 1.00 62.44 C ATOM 153 O THR A 10 17.610 25.585 120.385 1.00 63.15 O ATOM 154 CB THR A 10 18.013 27.634 122.441 1.00 63.24 C ATOM 155 OG1 THR A 10 18.208 28.021 123.807 1.00 0.04 O ATOM 156 CG2 THR A 10 17.871 28.888 121.580 1.00 71.31 C ATOM 0 H THR A 10 17.455 24.849 122.950 1.00 74.23 H new ATOM 0 HA THR A 10 15.891 27.316 122.568 1.00 2.22 H new ATOM 0 HB THR A 10 18.874 27.068 122.085 1.00 63.24 H new ATOM 0 HG1 THR A 10 18.997 28.599 123.874 1.00 0.04 H new ATOM 0 HG21 THR A 10 18.762 29.506 121.688 1.00 71.31 H new ATOM 0 HG22 THR A 10 17.753 28.601 120.535 1.00 71.31 H new ATOM 0 HG23 THR A 10 16.996 29.453 121.902 1.00 71.31 H new ATOM 164 N TRP A 11 15.488 26.327 120.306 1.00 21.11 N ATOM 165 CA TRP A 11 15.253 25.822 118.962 1.00 60.45 C ATOM 166 C TRP A 11 15.190 26.976 117.975 1.00 41.24 C ATOM 167 O TRP A 11 15.041 28.137 118.374 1.00 53.02 O ATOM 168 CB TRP A 11 13.947 25.010 118.887 1.00 31.22 C ATOM 169 CG TRP A 11 13.749 24.015 119.998 1.00 21.05 C ATOM 170 CD1 TRP A 11 12.647 23.917 120.791 1.00 41.42 C ATOM 171 CD2 TRP A 11 14.656 22.993 120.451 1.00 1.44 C ATOM 172 NE1 TRP A 11 12.806 22.909 121.704 1.00 3.24 N ATOM 173 CE2 TRP A 11 14.028 22.331 121.521 1.00 31.50 C ATOM 174 CE3 TRP A 11 15.934 22.581 120.064 1.00 64.42 C ATOM 175 CZ2 TRP A 11 14.630 21.278 122.199 1.00 31.30 C ATOM 176 CZ3 TRP A 11 16.528 21.537 120.740 1.00 15.23 C ATOM 177 CH2 TRP A 11 15.878 20.899 121.799 1.00 52.30 C ATOM 0 H TRP A 11 14.687 26.797 120.728 1.00 21.11 H new ATOM 0 HA TRP A 11 16.082 25.163 118.705 1.00 60.45 H new ATOM 0 HB2 TRP A 11 13.106 25.703 118.887 1.00 31.22 H new ATOM 0 HB3 TRP A 11 13.922 24.479 117.936 1.00 31.22 H new ATOM 0 HD1 TRP A 11 11.772 24.545 120.711 1.00 41.42 H new ATOM 0 HE1 TRP A 11 12.121 22.634 122.408 1.00 3.24 H new ATOM 0 HE3 TRP A 11 16.447 23.072 119.250 1.00 64.42 H new ATOM 0 HZ2 TRP A 11 14.128 20.777 123.014 1.00 31.30 H new ATOM 0 HZ3 TRP A 11 17.513 21.207 120.446 1.00 15.23 H new ATOM 0 HH2 TRP A 11 16.374 20.088 122.312 1.00 52.30 H new ATOM 188 N ASN A 12 15.292 26.657 116.693 1.00 2.31 N ATOM 189 CA ASN A 12 15.181 27.659 115.648 1.00 22.55 C ATOM 190 C ASN A 12 13.859 27.480 114.915 1.00 20.11 C ATOM 191 O ASN A 12 13.590 26.417 114.350 1.00 21.55 O ATOM 192 CB ASN A 12 16.359 27.553 114.665 1.00 11.22 C ATOM 193 CG ASN A 12 16.509 28.785 113.781 1.00 22.43 C ATOM 194 OD1 ASN A 12 17.196 29.734 114.145 1.00 34.14 O ATOM 195 ND2 ASN A 12 15.905 28.766 112.600 1.00 33.20 N ATOM 0 H ASN A 12 15.452 25.709 116.353 1.00 2.31 H new ATOM 0 HA ASN A 12 15.210 28.650 116.101 1.00 22.55 H new ATOM 0 HB2 ASN A 12 17.281 27.401 115.226 1.00 11.22 H new ATOM 0 HB3 ASN A 12 16.221 26.675 114.034 1.00 11.22 H new ATOM 0 HD21 ASN A 12 16.005 29.557 111.963 1.00 33.20 H new ATOM 0 HD22 ASN A 12 15.341 27.961 112.329 1.00 33.20 H new ATOM 202 N ASP A 13 13.025 28.508 114.959 1.00 4.12 N ATOM 203 CA ASP A 13 11.757 28.503 114.233 1.00 44.54 C ATOM 204 C ASP A 13 11.883 29.338 112.966 1.00 2.53 C ATOM 205 O ASP A 13 12.271 30.512 113.020 1.00 13.13 O ATOM 206 CB ASP A 13 10.604 29.034 115.105 1.00 1.31 C ATOM 207 CG ASP A 13 10.253 28.117 116.270 1.00 72.35 C ATOM 208 OD1 ASP A 13 9.593 27.079 116.049 1.00 34.12 O ATOM 209 OD2 ASP A 13 10.624 28.440 117.416 1.00 71.21 O ATOM 0 H ASP A 13 13.201 29.360 115.491 1.00 4.12 H new ATOM 0 HA ASP A 13 11.525 27.472 113.967 1.00 44.54 H new ATOM 0 HB2 ASP A 13 10.875 30.015 115.494 1.00 1.31 H new ATOM 0 HB3 ASP A 13 9.720 29.171 114.482 1.00 1.31 H new ATOM 214 N SER A 14 11.578 28.721 111.831 1.00 45.12 N ATOM 215 CA SER A 14 11.684 29.379 110.535 1.00 51.41 C ATOM 216 C SER A 14 10.538 28.973 109.605 1.00 45.11 C ATOM 217 O SER A 14 10.292 27.778 109.384 1.00 51.53 O ATOM 218 CB SER A 14 13.044 29.051 109.895 1.00 63.11 C ATOM 219 OG SER A 14 13.265 27.652 109.844 1.00 71.02 O ATOM 0 H SER A 14 11.252 27.756 111.783 1.00 45.12 H new ATOM 0 HA SER A 14 11.612 30.455 110.690 1.00 51.41 H new ATOM 0 HB2 SER A 14 13.083 29.465 108.887 1.00 63.11 H new ATOM 0 HB3 SER A 14 13.841 29.527 110.466 1.00 63.11 H new ATOM 0 HG SER A 14 12.420 27.194 109.652 1.00 71.02 H new ATOM 225 N ARG A 15 9.827 29.979 109.092 1.00 32.20 N ATOM 226 CA ARG A 15 8.759 29.773 108.117 1.00 2.43 C ATOM 227 C ARG A 15 8.645 30.981 107.185 1.00 13.24 C ATOM 228 O ARG A 15 9.056 32.095 107.536 1.00 34.03 O ATOM 229 CB ARG A 15 7.410 29.489 108.808 1.00 71.04 C ATOM 230 CG ARG A 15 6.910 30.593 109.738 1.00 70.31 C ATOM 231 CD ARG A 15 5.537 30.257 110.300 1.00 14.21 C ATOM 232 NE ARG A 15 4.954 31.388 111.025 1.00 41.41 N ATOM 233 CZ ARG A 15 3.763 31.934 110.746 1.00 32.31 C ATOM 234 NH1 ARG A 15 3.020 31.461 109.745 1.00 21.44 N ATOM 235 NH2 ARG A 15 3.331 32.972 111.460 1.00 12.45 N ATOM 0 H ARG A 15 9.976 30.957 109.341 1.00 32.20 H new ATOM 0 HA ARG A 15 9.015 28.896 107.522 1.00 2.43 H new ATOM 0 HB2 ARG A 15 6.656 29.314 108.040 1.00 71.04 H new ATOM 0 HB3 ARG A 15 7.501 28.567 109.381 1.00 71.04 H new ATOM 0 HG2 ARG A 15 7.617 30.731 110.556 1.00 70.31 H new ATOM 0 HG3 ARG A 15 6.863 31.537 109.194 1.00 70.31 H new ATOM 0 HD2 ARG A 15 4.873 29.966 109.486 1.00 14.21 H new ATOM 0 HD3 ARG A 15 5.618 29.400 110.968 1.00 14.21 H new ATOM 0 HE ARG A 15 5.491 31.787 111.795 1.00 41.41 H new ATOM 0 HH11 ARG A 15 3.357 30.678 109.185 1.00 21.44 H new ATOM 0 HH12 ARG A 15 2.114 31.882 109.539 1.00 21.44 H new ATOM 0 HH21 ARG A 15 3.906 33.347 112.214 1.00 12.45 H new ATOM 0 HH22 ARG A 15 2.425 33.392 111.252 1.00 12.45 H new ATOM 249 N GLY A 16 8.098 30.747 105.997 1.00 12.44 N ATOM 250 CA GLY A 16 7.943 31.799 105.011 1.00 2.44 C ATOM 251 C GLY A 16 6.846 31.487 104.019 1.00 60.44 C ATOM 252 O GLY A 16 7.042 30.683 103.105 1.00 62.14 O ATOM 0 H GLY A 16 7.755 29.834 105.697 1.00 12.44 H new ATOM 0 HA2 GLY A 16 7.719 32.739 105.516 1.00 2.44 H new ATOM 0 HA3 GLY A 16 8.884 31.939 104.479 1.00 2.44 H new ATOM 256 N ASN A 17 5.690 32.118 104.198 1.00 43.21 N ATOM 257 CA ASN A 17 4.524 31.857 103.355 1.00 73.31 C ATOM 258 C ASN A 17 4.103 33.101 102.597 1.00 14.24 C ATOM 259 O ASN A 17 4.029 34.191 103.170 1.00 33.33 O ATOM 260 CB ASN A 17 3.339 31.351 104.189 1.00 20.44 C ATOM 261 CG ASN A 17 3.591 29.994 104.820 1.00 10.31 C ATOM 262 OD1 ASN A 17 4.035 29.897 105.967 1.00 21.04 O ATOM 263 ND2 ASN A 17 3.306 28.942 104.072 1.00 34.01 N ATOM 0 H ASN A 17 5.533 32.818 104.923 1.00 43.21 H new ATOM 0 HA ASN A 17 4.815 31.086 102.641 1.00 73.31 H new ATOM 0 HB2 ASN A 17 3.120 32.075 104.974 1.00 20.44 H new ATOM 0 HB3 ASN A 17 2.455 31.291 103.554 1.00 20.44 H new ATOM 0 HD21 ASN A 17 3.452 28.001 104.438 1.00 34.01 H new ATOM 0 HD22 ASN A 17 2.941 29.071 103.128 1.00 34.01 H new ATOM 270 N TYR A 18 3.832 32.937 101.304 1.00 24.34 N ATOM 271 CA TYR A 18 3.429 34.052 100.454 1.00 55.13 C ATOM 272 C TYR A 18 2.242 33.691 99.571 1.00 44.14 C ATOM 273 O TYR A 18 2.086 32.543 99.143 1.00 30.10 O ATOM 274 CB TYR A 18 4.599 34.542 99.588 1.00 62.43 C ATOM 275 CG TYR A 18 5.635 35.337 100.359 1.00 64.03 C ATOM 276 CD1 TYR A 18 5.325 36.585 100.883 1.00 34.40 C ATOM 277 CD2 TYR A 18 6.907 34.833 100.581 1.00 14.32 C ATOM 278 CE1 TYR A 18 6.256 37.317 101.593 1.00 61.15 C ATOM 279 CE2 TYR A 18 7.848 35.558 101.292 1.00 13.31 C ATOM 280 CZ TYR A 18 7.515 36.798 101.803 1.00 13.21 C ATOM 281 OH TYR A 18 8.447 37.525 102.514 1.00 65.01 O ATOM 0 H TYR A 18 3.885 32.040 100.822 1.00 24.34 H new ATOM 0 HA TYR A 18 3.123 34.860 101.118 1.00 55.13 H new ATOM 0 HB2 TYR A 18 5.083 33.682 99.126 1.00 62.43 H new ATOM 0 HB3 TYR A 18 4.208 35.159 98.779 1.00 62.43 H new ATOM 0 HD1 TYR A 18 4.336 36.991 100.732 1.00 34.40 H new ATOM 0 HD2 TYR A 18 7.168 33.859 100.193 1.00 14.32 H new ATOM 0 HE1 TYR A 18 5.999 38.291 101.982 1.00 61.15 H new ATOM 0 HE2 TYR A 18 8.838 35.156 101.447 1.00 13.31 H new ATOM 0 HH TYR A 18 9.283 37.017 102.573 1.00 65.01 H new ATOM 291 N TRP A 19 1.411 34.689 99.310 1.00 11.44 N ATOM 292 CA TRP A 19 0.235 34.534 98.466 1.00 63.55 C ATOM 293 C TRP A 19 0.467 35.277 97.160 1.00 43.14 C ATOM 294 O TRP A 19 0.198 36.477 97.059 1.00 54.22 O ATOM 295 CB TRP A 19 -1.019 35.083 99.169 1.00 22.24 C ATOM 296 CG TRP A 19 -1.207 34.578 100.574 1.00 21.43 C ATOM 297 CD1 TRP A 19 -0.854 35.218 101.731 1.00 10.05 C ATOM 298 CD2 TRP A 19 -1.788 33.328 100.969 1.00 72.24 C ATOM 299 NE1 TRP A 19 -1.170 34.440 102.815 1.00 71.13 N ATOM 300 CE2 TRP A 19 -1.737 33.273 102.376 1.00 12.02 C ATOM 301 CE3 TRP A 19 -2.320 32.239 100.271 1.00 3.54 C ATOM 302 CZ2 TRP A 19 -2.233 32.190 103.100 1.00 11.42 C ATOM 303 CZ3 TRP A 19 -2.810 31.166 100.989 1.00 21.10 C ATOM 304 CH2 TRP A 19 -2.749 31.142 102.390 1.00 50.53 C ATOM 0 H TRP A 19 1.533 35.632 99.679 1.00 11.44 H new ATOM 0 HA TRP A 19 0.073 33.474 98.268 1.00 63.55 H new ATOM 0 HB2 TRP A 19 -0.963 36.171 99.190 1.00 22.24 H new ATOM 0 HB3 TRP A 19 -1.897 34.820 98.579 1.00 22.24 H new ATOM 0 HD1 TRP A 19 -0.394 36.194 101.783 1.00 10.05 H new ATOM 0 HE1 TRP A 19 -1.009 34.690 103.791 1.00 71.13 H new ATOM 0 HE3 TRP A 19 -2.347 32.237 99.191 1.00 3.54 H new ATOM 0 HZ2 TRP A 19 -2.210 32.179 104.180 1.00 11.42 H new ATOM 0 HZ3 TRP A 19 -3.248 30.331 100.463 1.00 21.10 H new ATOM 0 HH2 TRP A 19 -3.118 30.276 102.920 1.00 50.53 H new ATOM 315 N SER A 20 1.018 34.583 96.180 1.00 12.50 N ATOM 316 CA SER A 20 1.379 35.215 94.922 1.00 12.13 C ATOM 317 C SER A 20 0.929 34.380 93.725 1.00 3.13 C ATOM 318 O SER A 20 1.533 33.354 93.394 1.00 33.12 O ATOM 319 CB SER A 20 2.892 35.501 94.873 1.00 60.31 C ATOM 320 OG SER A 20 3.657 34.364 95.257 1.00 32.51 O ATOM 0 H SER A 20 1.225 33.585 96.230 1.00 12.50 H new ATOM 0 HA SER A 20 0.853 36.168 94.862 1.00 12.13 H new ATOM 0 HB2 SER A 20 3.172 35.804 93.864 1.00 60.31 H new ATOM 0 HB3 SER A 20 3.126 36.336 95.533 1.00 60.31 H new ATOM 0 HG SER A 20 3.285 33.562 94.834 1.00 32.51 H new ATOM 326 N ASP A 21 -0.165 34.812 93.116 1.00 11.23 N ATOM 327 CA ASP A 21 -0.661 34.229 91.874 1.00 73.34 C ATOM 328 C ASP A 21 -0.918 35.351 90.877 1.00 71.05 C ATOM 329 O ASP A 21 -1.424 36.419 91.243 1.00 12.43 O ATOM 330 CB ASP A 21 -1.926 33.377 92.107 1.00 23.13 C ATOM 331 CG ASP A 21 -3.114 34.143 92.684 1.00 51.42 C ATOM 332 OD1 ASP A 21 -3.115 34.437 93.893 1.00 43.02 O ATOM 333 OD2 ASP A 21 -4.055 34.435 91.920 1.00 11.22 O ATOM 0 H ASP A 21 -0.737 35.579 93.469 1.00 11.23 H new ATOM 0 HA ASP A 21 0.092 33.551 91.471 1.00 73.34 H new ATOM 0 HB2 ASP A 21 -2.225 32.929 91.159 1.00 23.13 H new ATOM 0 HB3 ASP A 21 -1.677 32.558 92.782 1.00 23.13 H new ATOM 338 N TYR A 22 -0.544 35.127 89.626 1.00 50.04 N ATOM 339 CA TYR A 22 -0.469 36.212 88.654 1.00 20.31 C ATOM 340 C TYR A 22 -1.476 36.056 87.523 1.00 23.33 C ATOM 341 O TYR A 22 -1.127 35.699 86.392 1.00 70.00 O ATOM 342 CB TYR A 22 0.972 36.378 88.144 1.00 23.01 C ATOM 343 CG TYR A 22 1.961 36.711 89.252 1.00 21.34 C ATOM 344 CD1 TYR A 22 2.050 38.001 89.767 1.00 13.32 C ATOM 345 CD2 TYR A 22 2.798 35.738 89.787 1.00 34.21 C ATOM 346 CE1 TYR A 22 2.930 38.307 90.789 1.00 43.34 C ATOM 347 CE2 TYR A 22 3.684 36.038 90.810 1.00 42.02 C ATOM 348 CZ TYR A 22 3.751 37.325 91.301 1.00 14.22 C ATOM 349 OH TYR A 22 4.625 37.630 92.320 1.00 23.53 O ATOM 0 H TYR A 22 -0.289 34.210 89.260 1.00 50.04 H new ATOM 0 HA TYR A 22 -0.749 37.134 89.164 1.00 20.31 H new ATOM 0 HB2 TYR A 22 1.285 35.458 87.650 1.00 23.01 H new ATOM 0 HB3 TYR A 22 0.997 37.168 87.393 1.00 23.01 H new ATOM 0 HD1 TYR A 22 1.420 38.778 89.361 1.00 13.32 H new ATOM 0 HD2 TYR A 22 2.757 34.731 89.399 1.00 34.21 H new ATOM 0 HE1 TYR A 22 2.974 39.311 91.184 1.00 43.34 H new ATOM 0 HE2 TYR A 22 4.319 35.267 91.221 1.00 42.02 H new ATOM 0 HH TYR A 22 5.131 36.828 92.568 1.00 23.53 H new ATOM 848 N PRO A 59 -21.348 -0.693 14.242 1.00 33.24 N ATOM 849 CA PRO A 59 -20.170 -1.483 13.880 1.00 1.32 C ATOM 850 C PRO A 59 -18.922 -0.633 13.645 1.00 53.23 C ATOM 851 O PRO A 59 -19.002 0.585 13.457 1.00 73.53 O ATOM 852 CB PRO A 59 -20.592 -2.196 12.595 1.00 45.23 C ATOM 853 CG PRO A 59 -21.663 -1.347 12.002 1.00 31.45 C ATOM 854 CD PRO A 59 -22.324 -0.614 13.135 1.00 64.11 C ATOM 0 HA PRO A 59 -19.886 -2.161 14.685 1.00 1.32 H new ATOM 0 HB2 PRO A 59 -19.751 -2.301 11.910 1.00 45.23 H new ATOM 0 HB3 PRO A 59 -20.959 -3.200 12.806 1.00 45.23 H new ATOM 0 HG2 PRO A 59 -21.243 -0.645 11.282 1.00 31.45 H new ATOM 0 HG3 PRO A 59 -22.387 -1.960 11.465 1.00 31.45 H new ATOM 0 HD2 PRO A 59 -22.539 0.421 12.868 1.00 64.11 H new ATOM 0 HD3 PRO A 59 -23.273 -1.076 13.408 1.00 64.11 H new ATOM 862 N VAL A 60 -17.776 -1.288 13.681 1.00 11.44 N ATOM 863 CA VAL A 60 -16.502 -0.628 13.471 1.00 65.13 C ATOM 864 C VAL A 60 -16.119 -0.699 11.985 1.00 62.43 C ATOM 865 O VAL A 60 -16.378 -1.701 11.318 1.00 44.42 O ATOM 866 CB VAL A 60 -15.402 -1.251 14.388 1.00 13.01 C ATOM 867 CG1 VAL A 60 -15.163 -2.719 14.068 1.00 15.01 C ATOM 868 CG2 VAL A 60 -14.091 -0.473 14.332 1.00 12.13 C ATOM 0 H VAL A 60 -17.703 -2.290 13.856 1.00 11.44 H new ATOM 0 HA VAL A 60 -16.590 0.423 13.746 1.00 65.13 H new ATOM 0 HB VAL A 60 -15.783 -1.183 15.407 1.00 13.01 H new ATOM 0 HG11 VAL A 60 -14.391 -3.114 14.728 1.00 15.01 H new ATOM 0 HG12 VAL A 60 -16.087 -3.278 14.215 1.00 15.01 H new ATOM 0 HG13 VAL A 60 -14.840 -2.818 13.032 1.00 15.01 H new ATOM 0 HG21 VAL A 60 -13.359 -0.946 14.986 1.00 12.13 H new ATOM 0 HG22 VAL A 60 -13.714 -0.468 13.309 1.00 12.13 H new ATOM 0 HG23 VAL A 60 -14.262 0.552 14.660 1.00 12.13 H new ATOM 878 N LEU A 61 -15.583 0.394 11.459 1.00 30.01 N ATOM 879 CA LEU A 61 -15.082 0.419 10.090 1.00 42.33 C ATOM 880 C LEU A 61 -13.590 0.017 10.089 1.00 0.21 C ATOM 881 O LEU A 61 -12.965 0.016 11.156 1.00 11.30 O ATOM 882 CB LEU A 61 -15.380 1.782 9.359 1.00 43.24 C ATOM 883 CG LEU A 61 -15.079 3.165 10.020 1.00 12.00 C ATOM 884 CD1 LEU A 61 -16.029 3.501 11.157 1.00 41.23 C ATOM 885 CD2 LEU A 61 -13.647 3.285 10.489 1.00 30.14 C ATOM 0 H LEU A 61 -15.484 1.277 11.960 1.00 30.01 H new ATOM 0 HA LEU A 61 -15.624 -0.317 9.496 1.00 42.33 H new ATOM 0 HB2 LEU A 61 -14.831 1.759 8.417 1.00 43.24 H new ATOM 0 HB3 LEU A 61 -16.441 1.778 9.110 1.00 43.24 H new ATOM 0 HG LEU A 61 -15.240 3.895 9.227 1.00 12.00 H new ATOM 0 HD11 LEU A 61 -15.768 4.473 11.574 1.00 41.23 H new ATOM 0 HD12 LEU A 61 -17.051 3.531 10.780 1.00 41.23 H new ATOM 0 HD13 LEU A 61 -15.951 2.740 11.934 1.00 41.23 H new ATOM 0 HD21 LEU A 61 -13.493 4.265 10.940 1.00 30.14 H new ATOM 0 HD22 LEU A 61 -13.439 2.509 11.226 1.00 30.14 H new ATOM 0 HD23 LEU A 61 -12.975 3.167 9.639 1.00 30.14 H new ATOM 897 N PRO A 62 -12.985 -0.378 8.940 1.00 71.15 N ATOM 898 CA PRO A 62 -11.617 -0.884 8.943 1.00 15.13 C ATOM 899 C PRO A 62 -10.553 0.195 9.024 1.00 32.33 C ATOM 900 O PRO A 62 -10.831 1.395 9.139 1.00 11.33 O ATOM 901 CB PRO A 62 -11.473 -1.611 7.613 1.00 5.34 C ATOM 902 CG PRO A 62 -12.497 -1.022 6.708 1.00 51.52 C ATOM 903 CD PRO A 62 -13.550 -0.374 7.573 1.00 31.23 C ATOM 0 HA PRO A 62 -11.465 -1.506 9.825 1.00 15.13 H new ATOM 0 HB2 PRO A 62 -10.471 -1.481 7.204 1.00 5.34 H new ATOM 0 HB3 PRO A 62 -11.631 -2.683 7.735 1.00 5.34 H new ATOM 0 HG2 PRO A 62 -12.043 -0.288 6.042 1.00 51.52 H new ATOM 0 HG3 PRO A 62 -12.940 -1.793 6.078 1.00 51.52 H new ATOM 0 HD2 PRO A 62 -13.764 0.641 7.239 1.00 31.23 H new ATOM 0 HD3 PRO A 62 -14.488 -0.928 7.533 1.00 31.23 H new ATOM 911 N THR A 63 -9.330 -0.275 8.988 1.00 22.01 N ATOM 912 CA THR A 63 -8.170 0.557 8.908 1.00 21.24 C ATOM 913 C THR A 63 -7.184 -0.088 7.954 1.00 21.33 C ATOM 914 O THR A 63 -6.694 -1.185 8.218 1.00 32.32 O ATOM 915 CB THR A 63 -7.519 0.744 10.293 1.00 33.51 C ATOM 916 OG1 THR A 63 -8.446 1.361 11.188 1.00 13.24 O ATOM 917 CG2 THR A 63 -6.271 1.595 10.187 1.00 65.55 C ATOM 0 H THR A 63 -9.116 -1.272 9.015 1.00 22.01 H new ATOM 0 HA THR A 63 -8.461 1.543 8.546 1.00 21.24 H new ATOM 0 HB THR A 63 -7.241 -0.237 10.677 1.00 33.51 H new ATOM 0 HG1 THR A 63 -8.026 1.475 12.066 1.00 13.24 H new ATOM 0 HG21 THR A 63 -5.827 1.715 11.175 1.00 65.55 H new ATOM 0 HG22 THR A 63 -5.555 1.110 9.524 1.00 65.55 H new ATOM 0 HG23 THR A 63 -6.531 2.574 9.785 1.00 65.55 H new ATOM 925 N ALA A 64 -6.936 0.565 6.835 1.00 53.31 N ATOM 926 CA ALA A 64 -5.899 0.130 5.932 1.00 74.41 C ATOM 927 C ALA A 64 -4.573 0.679 6.409 1.00 21.31 C ATOM 928 O ALA A 64 -4.420 1.886 6.596 1.00 21.13 O ATOM 929 CB ALA A 64 -6.194 0.569 4.515 1.00 52.43 C ATOM 0 H ALA A 64 -7.441 1.398 6.533 1.00 53.31 H new ATOM 0 HA ALA A 64 -5.856 -0.959 5.927 1.00 74.41 H new ATOM 0 HB1 ALA A 64 -5.396 0.228 3.855 1.00 52.43 H new ATOM 0 HB2 ALA A 64 -7.142 0.139 4.191 1.00 52.43 H new ATOM 0 HB3 ALA A 64 -6.257 1.657 4.477 1.00 52.43 H new ATOM 935 N ARG A 65 -3.639 -0.214 6.650 1.00 42.20 N ATOM 936 CA ARG A 65 -2.320 0.165 7.091 1.00 31.30 C ATOM 937 C ARG A 65 -1.307 -0.762 6.442 1.00 1.11 C ATOM 938 O ARG A 65 -1.576 -1.945 6.267 1.00 24.43 O ATOM 939 CB ARG A 65 -2.215 0.102 8.626 1.00 53.33 C ATOM 940 CG ARG A 65 -0.888 0.626 9.167 1.00 22.33 C ATOM 941 CD ARG A 65 -0.708 0.347 10.651 1.00 73.30 C ATOM 942 NE ARG A 65 0.682 0.555 11.065 1.00 43.33 N ATOM 943 CZ ARG A 65 1.265 -0.036 12.113 1.00 4.12 C ATOM 944 NH1 ARG A 65 0.573 -0.857 12.909 1.00 65.34 N ATOM 945 NH2 ARG A 65 2.552 0.182 12.352 1.00 24.40 N ATOM 0 H ARG A 65 -3.774 -1.220 6.546 1.00 42.20 H new ATOM 0 HA ARG A 65 -2.118 1.194 6.794 1.00 31.30 H new ATOM 0 HB2 ARG A 65 -3.030 0.680 9.062 1.00 53.33 H new ATOM 0 HB3 ARG A 65 -2.348 -0.930 8.949 1.00 53.33 H new ATOM 0 HG2 ARG A 65 -0.068 0.168 8.613 1.00 22.33 H new ATOM 0 HG3 ARG A 65 -0.829 1.700 8.994 1.00 22.33 H new ATOM 0 HD2 ARG A 65 -1.363 0.999 11.228 1.00 73.30 H new ATOM 0 HD3 ARG A 65 -1.006 -0.679 10.870 1.00 73.30 H new ATOM 0 HE ARG A 65 1.247 1.199 10.512 1.00 43.33 H new ATOM 0 HH11 ARG A 65 -0.413 -1.039 12.720 1.00 65.34 H new ATOM 0 HH12 ARG A 65 1.031 -1.301 13.705 1.00 65.34 H new ATOM 0 HH21 ARG A 65 3.088 0.796 11.739 1.00 24.40 H new ATOM 0 HH22 ARG A 65 3.005 -0.264 13.149 1.00 24.40 H new ATOM 959 N PHE A 66 -0.180 -0.203 6.039 1.00 1.12 N ATOM 960 CA PHE A 66 0.921 -0.970 5.485 1.00 32.12 C ATOM 961 C PHE A 66 2.203 -0.166 5.608 1.00 54.23 C ATOM 962 O PHE A 66 2.162 1.035 5.898 1.00 11.02 O ATOM 963 CB PHE A 66 0.677 -1.375 4.006 1.00 41.03 C ATOM 964 CG PHE A 66 0.556 -0.246 3.013 1.00 22.14 C ATOM 965 CD1 PHE A 66 -0.531 0.613 3.026 1.00 63.32 C ATOM 966 CD2 PHE A 66 1.521 -0.072 2.036 1.00 21.34 C ATOM 967 CE1 PHE A 66 -0.644 1.626 2.105 1.00 61.43 C ATOM 968 CE2 PHE A 66 1.407 0.936 1.110 1.00 41.03 C ATOM 969 CZ PHE A 66 0.321 1.783 1.142 1.00 62.41 C ATOM 0 H PHE A 66 -0.002 0.800 6.087 1.00 1.12 H new ATOM 0 HA PHE A 66 1.004 -1.896 6.054 1.00 32.12 H new ATOM 0 HB2 PHE A 66 1.495 -2.022 3.690 1.00 41.03 H new ATOM 0 HB3 PHE A 66 -0.236 -1.969 3.961 1.00 41.03 H new ATOM 0 HD1 PHE A 66 -1.301 0.484 3.772 1.00 63.32 H new ATOM 0 HD2 PHE A 66 2.372 -0.736 2.001 1.00 21.34 H new ATOM 0 HE1 PHE A 66 -1.490 2.297 2.139 1.00 61.43 H new ATOM 0 HE2 PHE A 66 2.169 1.065 0.356 1.00 41.03 H new ATOM 0 HZ PHE A 66 0.229 2.571 0.409 1.00 62.41 H new ATOM 979 N THR A 67 3.328 -0.820 5.402 1.00 75.42 N ATOM 980 CA THR A 67 4.593 -0.130 5.347 1.00 65.42 C ATOM 981 C THR A 67 5.433 -0.663 4.190 1.00 23.04 C ATOM 982 O THR A 67 5.285 -1.815 3.760 1.00 44.11 O ATOM 983 CB THR A 67 5.373 -0.221 6.701 1.00 22.02 C ATOM 984 OG1 THR A 67 6.426 0.752 6.732 1.00 33.44 O ATOM 985 CG2 THR A 67 5.976 -1.604 6.951 1.00 32.55 C ATOM 0 H THR A 67 3.388 -1.830 5.270 1.00 75.42 H new ATOM 0 HA THR A 67 4.388 0.927 5.174 1.00 65.42 H new ATOM 0 HB THR A 67 4.644 -0.027 7.488 1.00 22.02 H new ATOM 0 HG1 THR A 67 7.114 0.510 6.078 1.00 33.44 H new ATOM 0 HG21 THR A 67 6.504 -1.604 7.905 1.00 32.55 H new ATOM 0 HG22 THR A 67 5.180 -2.349 6.977 1.00 32.55 H new ATOM 0 HG23 THR A 67 6.674 -1.847 6.150 1.00 32.55 H new ATOM 993 N SER A 68 6.258 0.211 3.657 1.00 51.32 N ATOM 994 CA SER A 68 7.311 -0.174 2.749 1.00 61.44 C ATOM 995 C SER A 68 8.619 -0.218 3.529 1.00 3.40 C ATOM 996 O SER A 68 8.648 0.178 4.702 1.00 33.53 O ATOM 997 CB SER A 68 7.396 0.826 1.595 1.00 0.20 C ATOM 998 OG SER A 68 7.563 2.150 2.082 1.00 21.43 O ATOM 0 H SER A 68 6.215 1.213 3.843 1.00 51.32 H new ATOM 0 HA SER A 68 7.108 -1.157 2.323 1.00 61.44 H new ATOM 0 HB2 SER A 68 8.231 0.566 0.944 1.00 0.20 H new ATOM 0 HB3 SER A 68 6.491 0.768 0.991 1.00 0.20 H new ATOM 0 HG SER A 68 8.377 2.539 1.699 1.00 21.43 H new ATOM 1004 N ASP A 69 9.681 -0.725 2.910 1.00 1.14 N ATOM 1005 CA ASP A 69 11.009 -0.677 3.523 1.00 73.12 C ATOM 1006 C ASP A 69 11.478 0.777 3.634 1.00 13.44 C ATOM 1007 O ASP A 69 11.735 1.276 4.733 1.00 72.04 O ATOM 1008 CB ASP A 69 12.017 -1.504 2.718 1.00 43.34 C ATOM 1009 CG ASP A 69 13.337 -1.680 3.454 1.00 63.32 C ATOM 1010 OD1 ASP A 69 14.213 -0.797 3.353 1.00 64.23 O ATOM 1011 OD2 ASP A 69 13.503 -2.708 4.133 1.00 4.31 O ATOM 0 H ASP A 69 9.652 -1.170 1.993 1.00 1.14 H new ATOM 0 HA ASP A 69 10.944 -1.109 4.522 1.00 73.12 H new ATOM 0 HB2 ASP A 69 11.590 -2.484 2.502 1.00 43.34 H new ATOM 0 HB3 ASP A 69 12.200 -1.018 1.760 1.00 43.34 H new ATOM 1016 N ILE A 70 11.557 1.455 2.491 1.00 4.55 N ATOM 1017 CA ILE A 70 11.884 2.874 2.461 1.00 52.35 C ATOM 1018 C ILE A 70 10.752 3.679 1.835 1.00 20.12 C ATOM 1019 O ILE A 70 10.113 3.236 0.881 1.00 74.42 O ATOM 1020 CB ILE A 70 13.236 3.167 1.731 1.00 25.31 C ATOM 1021 CG1 ILE A 70 13.368 2.422 0.385 1.00 71.44 C ATOM 1022 CG2 ILE A 70 14.413 2.826 2.633 1.00 11.33 C ATOM 1023 CD1 ILE A 70 13.064 3.273 -0.837 1.00 32.21 C ATOM 0 H ILE A 70 11.398 1.041 1.572 1.00 4.55 H new ATOM 0 HA ILE A 70 12.009 3.187 3.498 1.00 52.35 H new ATOM 0 HB ILE A 70 13.242 4.234 1.507 1.00 25.31 H new ATOM 0 HG12 ILE A 70 14.382 2.032 0.298 1.00 71.44 H new ATOM 0 HG13 ILE A 70 12.696 1.564 0.391 1.00 71.44 H new ATOM 0 HG21 ILE A 70 15.346 3.036 2.109 1.00 11.33 H new ATOM 0 HG22 ILE A 70 14.363 3.428 3.540 1.00 11.33 H new ATOM 0 HG23 ILE A 70 14.375 1.769 2.897 1.00 11.33 H new ATOM 0 HD11 ILE A 70 13.181 2.671 -1.738 1.00 32.21 H new ATOM 0 HD12 ILE A 70 12.040 3.642 -0.778 1.00 32.21 H new ATOM 0 HD13 ILE A 70 13.753 4.117 -0.873 1.00 32.21 H new ATOM 1035 N THR A 71 10.471 4.834 2.425 1.00 2.52 N ATOM 1036 CA THR A 71 9.561 5.812 1.833 1.00 23.04 C ATOM 1037 C THR A 71 10.323 6.826 0.987 1.00 40.45 C ATOM 1038 O THR A 71 9.731 7.559 0.197 1.00 35.55 O ATOM 1039 CB THR A 71 8.749 6.549 2.912 1.00 21.32 C ATOM 1040 OG1 THR A 71 9.494 6.613 4.139 1.00 44.54 O ATOM 1041 CG2 THR A 71 7.414 5.868 3.148 1.00 33.51 C ATOM 0 H THR A 71 10.864 5.120 3.322 1.00 2.52 H new ATOM 0 HA THR A 71 8.871 5.261 1.193 1.00 23.04 H new ATOM 0 HB THR A 71 8.558 7.562 2.559 1.00 21.32 H new ATOM 0 HG1 THR A 71 8.968 7.086 4.817 1.00 44.54 H new ATOM 0 HG21 THR A 71 6.860 6.409 3.915 1.00 33.51 H new ATOM 0 HG22 THR A 71 6.840 5.862 2.222 1.00 33.51 H new ATOM 0 HG23 THR A 71 7.582 4.842 3.477 1.00 33.51 H new ATOM 1049 N GLU A 72 11.642 6.850 1.170 1.00 42.21 N ATOM 1050 CA GLU A 72 12.529 7.702 0.404 1.00 21.20 C ATOM 1051 C GLU A 72 13.908 7.054 0.359 1.00 33.23 C ATOM 1052 O GLU A 72 14.332 6.422 1.329 1.00 55.24 O ATOM 1053 CB GLU A 72 12.627 9.104 1.017 1.00 62.32 C ATOM 1054 CG GLU A 72 13.332 10.107 0.112 1.00 23.32 C ATOM 1055 CD GLU A 72 13.516 11.459 0.754 1.00 22.12 C ATOM 1056 OE1 GLU A 72 12.558 12.250 0.770 1.00 15.13 O ATOM 1057 OE2 GLU A 72 14.628 11.743 1.234 1.00 4.20 O ATOM 0 H GLU A 72 12.122 6.272 1.860 1.00 42.21 H new ATOM 0 HA GLU A 72 12.129 7.813 -0.604 1.00 21.20 H new ATOM 0 HB2 GLU A 72 11.624 9.467 1.239 1.00 62.32 H new ATOM 0 HB3 GLU A 72 13.161 9.042 1.965 1.00 62.32 H new ATOM 0 HG2 GLU A 72 14.307 9.710 -0.169 1.00 23.32 H new ATOM 0 HG3 GLU A 72 12.758 10.223 -0.807 1.00 23.32 H new ATOM 1064 N GLY A 73 14.581 7.188 -0.771 1.00 24.14 N ATOM 1065 CA GLY A 73 15.923 6.669 -0.911 1.00 22.52 C ATOM 1066 C GLY A 73 16.257 6.383 -2.349 1.00 12.21 C ATOM 1067 O GLY A 73 15.494 6.745 -3.244 1.00 60.51 O ATOM 0 H GLY A 73 14.217 7.653 -1.603 1.00 24.14 H new ATOM 0 HA2 GLY A 73 16.636 7.388 -0.507 1.00 22.52 H new ATOM 0 HA3 GLY A 73 16.024 5.756 -0.325 1.00 22.52 H new ATOM 1071 N PHE A 74 17.396 5.741 -2.575 1.00 62.31 N ATOM 1072 CA PHE A 74 17.798 5.327 -3.913 1.00 61.41 C ATOM 1073 C PHE A 74 17.005 4.080 -4.317 1.00 13.21 C ATOM 1074 O PHE A 74 16.767 3.207 -3.479 1.00 32.44 O ATOM 1075 CB PHE A 74 19.325 5.074 -3.982 1.00 11.43 C ATOM 1076 CG PHE A 74 19.869 4.094 -2.959 1.00 13.43 C ATOM 1077 CD1 PHE A 74 20.283 4.529 -1.709 1.00 13.41 C ATOM 1078 CD2 PHE A 74 19.972 2.740 -3.254 1.00 73.15 C ATOM 1079 CE1 PHE A 74 20.778 3.640 -0.777 1.00 74.40 C ATOM 1080 CE2 PHE A 74 20.466 1.849 -2.324 1.00 64.12 C ATOM 1081 CZ PHE A 74 20.870 2.299 -1.085 1.00 30.03 C ATOM 0 H PHE A 74 18.062 5.494 -1.843 1.00 62.31 H new ATOM 0 HA PHE A 74 17.576 6.128 -4.618 1.00 61.41 H new ATOM 0 HB2 PHE A 74 19.571 4.707 -4.978 1.00 11.43 H new ATOM 0 HB3 PHE A 74 19.840 6.027 -3.857 1.00 11.43 H new ATOM 0 HD1 PHE A 74 20.217 5.578 -1.462 1.00 13.41 H new ATOM 0 HD2 PHE A 74 19.661 2.381 -4.224 1.00 73.15 H new ATOM 0 HE1 PHE A 74 21.093 3.994 0.193 1.00 74.40 H new ATOM 0 HE2 PHE A 74 20.536 0.799 -2.566 1.00 64.12 H new ATOM 0 HZ PHE A 74 21.258 1.602 -0.357 1.00 30.03 H new ATOM 1091 N ALA A 75 16.541 4.077 -5.574 1.00 21.53 N ATOM 1092 CA ALA A 75 15.720 2.998 -6.165 1.00 22.02 C ATOM 1093 C ALA A 75 16.255 1.574 -5.910 1.00 24.24 C ATOM 1094 O ALA A 75 17.299 1.189 -6.456 1.00 4.44 O ATOM 1095 CB ALA A 75 15.589 3.248 -7.664 1.00 61.55 C ATOM 0 H ALA A 75 16.727 4.838 -6.227 1.00 21.53 H new ATOM 0 HA ALA A 75 14.750 3.033 -5.669 1.00 22.02 H new ATOM 0 HB1 ALA A 75 14.985 2.459 -8.113 1.00 61.55 H new ATOM 0 HB2 ALA A 75 15.109 4.212 -7.831 1.00 61.55 H new ATOM 0 HB3 ALA A 75 16.579 3.252 -8.120 1.00 61.55 H new ATOM 1101 N PRO A 76 15.548 0.781 -5.057 1.00 32.12 N ATOM 1102 CA PRO A 76 15.875 -0.619 -4.801 1.00 25.05 C ATOM 1103 C PRO A 76 15.109 -1.590 -5.718 1.00 63.42 C ATOM 1104 O PRO A 76 14.000 -1.298 -6.167 1.00 14.13 O ATOM 1105 CB PRO A 76 15.456 -0.811 -3.335 1.00 70.41 C ATOM 1106 CG PRO A 76 14.557 0.345 -2.990 1.00 55.11 C ATOM 1107 CD PRO A 76 14.402 1.191 -4.232 1.00 32.22 C ATOM 0 HA PRO A 76 16.926 -0.834 -4.995 1.00 25.05 H new ATOM 0 HB2 PRO A 76 14.936 -1.760 -3.202 1.00 70.41 H new ATOM 0 HB3 PRO A 76 16.329 -0.832 -2.682 1.00 70.41 H new ATOM 0 HG2 PRO A 76 13.586 -0.014 -2.648 1.00 55.11 H new ATOM 0 HG3 PRO A 76 14.984 0.933 -2.177 1.00 55.11 H new ATOM 0 HD2 PRO A 76 13.454 1.000 -4.735 1.00 32.22 H new ATOM 0 HD3 PRO A 76 14.431 2.256 -4.001 1.00 32.22 H new ATOM 1115 N LEU A 77 15.680 -2.774 -5.934 1.00 70.24 N ATOM 1116 CA LEU A 77 15.136 -3.731 -6.899 1.00 70.41 C ATOM 1117 C LEU A 77 13.908 -4.428 -6.295 1.00 24.15 C ATOM 1118 O LEU A 77 12.863 -4.521 -6.935 1.00 40.11 O ATOM 1119 CB LEU A 77 16.245 -4.736 -7.299 1.00 54.42 C ATOM 1120 CG LEU A 77 16.054 -5.554 -8.598 1.00 23.43 C ATOM 1121 CD1 LEU A 77 15.130 -6.748 -8.404 1.00 32.23 C ATOM 1122 CD2 LEU A 77 15.552 -4.672 -9.736 1.00 25.41 C ATOM 0 H LEU A 77 16.521 -3.095 -5.453 1.00 70.24 H new ATOM 0 HA LEU A 77 14.808 -3.220 -7.804 1.00 70.41 H new ATOM 0 HB2 LEU A 77 17.180 -4.183 -7.388 1.00 54.42 H new ATOM 0 HB3 LEU A 77 16.369 -5.441 -6.477 1.00 54.42 H new ATOM 0 HG LEU A 77 17.036 -5.944 -8.865 1.00 23.43 H new ATOM 0 HD11 LEU A 77 15.030 -7.288 -9.346 1.00 32.23 H new ATOM 0 HD12 LEU A 77 15.548 -7.412 -7.648 1.00 32.23 H new ATOM 0 HD13 LEU A 77 14.149 -6.400 -8.079 1.00 32.23 H new ATOM 0 HD21 LEU A 77 15.427 -5.275 -10.636 1.00 25.41 H new ATOM 0 HD22 LEU A 77 14.594 -4.231 -9.459 1.00 25.41 H new ATOM 0 HD23 LEU A 77 16.275 -3.879 -9.928 1.00 25.41 H new ATOM 1134 N SER A 78 14.046 -4.890 -5.063 1.00 73.33 N ATOM 1135 CA SER A 78 12.936 -5.494 -4.349 1.00 52.14 C ATOM 1136 C SER A 78 12.563 -4.639 -3.137 1.00 73.45 C ATOM 1137 O SER A 78 13.282 -4.602 -2.138 1.00 51.34 O ATOM 1138 CB SER A 78 13.288 -6.928 -3.929 1.00 4.31 C ATOM 1139 OG SER A 78 12.183 -7.578 -3.316 1.00 5.20 O ATOM 0 H SER A 78 14.919 -4.857 -4.536 1.00 73.33 H new ATOM 0 HA SER A 78 12.071 -5.541 -5.011 1.00 52.14 H new ATOM 0 HB2 SER A 78 13.606 -7.496 -4.803 1.00 4.31 H new ATOM 0 HB3 SER A 78 14.130 -6.909 -3.237 1.00 4.31 H new ATOM 0 HG SER A 78 12.439 -8.489 -3.062 1.00 5.20 H new ATOM 1145 N VAL A 79 11.448 -3.931 -3.254 1.00 40.55 N ATOM 1146 CA VAL A 79 10.946 -3.086 -2.175 1.00 3.15 C ATOM 1147 C VAL A 79 9.984 -3.894 -1.311 1.00 11.01 C ATOM 1148 O VAL A 79 8.977 -4.411 -1.807 1.00 53.42 O ATOM 1149 CB VAL A 79 10.253 -1.803 -2.707 1.00 42.35 C ATOM 1150 CG1 VAL A 79 9.852 -0.868 -1.568 1.00 42.11 C ATOM 1151 CG2 VAL A 79 11.160 -1.076 -3.685 1.00 14.12 C ATOM 0 H VAL A 79 10.868 -3.925 -4.093 1.00 40.55 H new ATOM 0 HA VAL A 79 11.797 -2.759 -1.577 1.00 3.15 H new ATOM 0 HB VAL A 79 9.344 -2.110 -3.224 1.00 42.35 H new ATOM 0 HG11 VAL A 79 9.370 0.019 -1.978 1.00 42.11 H new ATOM 0 HG12 VAL A 79 9.159 -1.382 -0.902 1.00 42.11 H new ATOM 0 HG13 VAL A 79 10.740 -0.573 -1.010 1.00 42.11 H new ATOM 0 HG21 VAL A 79 10.659 -0.179 -4.048 1.00 14.12 H new ATOM 0 HG22 VAL A 79 12.086 -0.796 -3.183 1.00 14.12 H new ATOM 0 HG23 VAL A 79 11.387 -1.731 -4.526 1.00 14.12 H new ATOM 1161 N ARG A 80 10.323 -4.000 -0.025 1.00 44.22 N ATOM 1162 CA ARG A 80 9.575 -4.817 0.931 1.00 64.53 C ATOM 1163 C ARG A 80 8.194 -4.246 1.224 1.00 50.54 C ATOM 1164 O ARG A 80 8.014 -3.028 1.318 1.00 52.43 O ATOM 1165 CB ARG A 80 10.360 -4.957 2.232 1.00 61.45 C ATOM 1166 CG ARG A 80 11.655 -5.742 2.086 1.00 32.30 C ATOM 1167 CD ARG A 80 12.459 -5.748 3.378 1.00 22.54 C ATOM 1168 NE ARG A 80 11.724 -6.350 4.500 1.00 14.23 N ATOM 1169 CZ ARG A 80 11.659 -5.827 5.735 1.00 45.41 C ATOM 1170 NH1 ARG A 80 12.212 -4.644 6.011 1.00 33.43 N ATOM 1171 NH2 ARG A 80 11.004 -6.482 6.690 1.00 14.15 N ATOM 0 H ARG A 80 11.125 -3.521 0.383 1.00 44.22 H new ATOM 0 HA ARG A 80 9.437 -5.797 0.475 1.00 64.53 H new ATOM 0 HB2 ARG A 80 10.590 -3.963 2.616 1.00 61.45 H new ATOM 0 HB3 ARG A 80 9.730 -5.447 2.974 1.00 61.45 H new ATOM 0 HG2 ARG A 80 11.428 -6.767 1.794 1.00 32.30 H new ATOM 0 HG3 ARG A 80 12.255 -5.308 1.286 1.00 32.30 H new ATOM 0 HD2 ARG A 80 13.388 -6.297 3.221 1.00 22.54 H new ATOM 0 HD3 ARG A 80 12.733 -4.725 3.636 1.00 22.54 H new ATOM 0 HE ARG A 80 11.229 -7.225 4.328 1.00 14.23 H new ATOM 0 HH11 ARG A 80 12.693 -4.123 5.278 1.00 33.43 H new ATOM 0 HH12 ARG A 80 12.153 -4.261 6.955 1.00 33.43 H new ATOM 0 HH21 ARG A 80 10.556 -7.374 6.481 1.00 14.15 H new ATOM 0 HH22 ARG A 80 10.950 -6.092 7.631 1.00 14.15 H new ATOM 1185 N PHE A 81 7.232 -5.146 1.346 1.00 33.13 N ATOM 1186 CA PHE A 81 5.854 -4.790 1.636 1.00 35.32 C ATOM 1187 C PHE A 81 5.343 -5.592 2.829 1.00 13.21 C ATOM 1188 O PHE A 81 5.520 -6.811 2.907 1.00 63.30 O ATOM 1189 CB PHE A 81 4.941 -4.976 0.397 1.00 33.31 C ATOM 1190 CG PHE A 81 4.953 -6.349 -0.244 1.00 33.32 C ATOM 1191 CD1 PHE A 81 5.958 -6.718 -1.129 1.00 32.41 C ATOM 1192 CD2 PHE A 81 3.950 -7.268 0.033 1.00 35.43 C ATOM 1193 CE1 PHE A 81 5.963 -7.965 -1.720 1.00 71.21 C ATOM 1194 CE2 PHE A 81 3.951 -8.514 -0.558 1.00 21.42 C ATOM 1195 CZ PHE A 81 4.961 -8.864 -1.433 1.00 33.12 C ATOM 0 H PHE A 81 7.387 -6.149 1.246 1.00 33.13 H new ATOM 0 HA PHE A 81 5.824 -3.731 1.894 1.00 35.32 H new ATOM 0 HB2 PHE A 81 3.917 -4.743 0.688 1.00 33.31 H new ATOM 0 HB3 PHE A 81 5.232 -4.244 -0.356 1.00 33.31 H new ATOM 0 HD1 PHE A 81 6.748 -6.018 -1.358 1.00 32.41 H new ATOM 0 HD2 PHE A 81 3.159 -7.004 0.720 1.00 35.43 H new ATOM 0 HE1 PHE A 81 6.752 -8.235 -2.407 1.00 71.21 H new ATOM 0 HE2 PHE A 81 3.161 -9.217 -0.337 1.00 21.42 H new ATOM 0 HZ PHE A 81 4.964 -9.842 -1.891 1.00 33.12 H new ATOM 1205 N LYS A 82 4.733 -4.890 3.767 1.00 50.23 N ATOM 1206 CA LYS A 82 4.180 -5.506 4.964 1.00 33.12 C ATOM 1207 C LYS A 82 2.802 -4.919 5.252 1.00 71.03 C ATOM 1208 O LYS A 82 2.664 -3.713 5.442 1.00 24.32 O ATOM 1209 CB LYS A 82 5.141 -5.297 6.150 1.00 40.13 C ATOM 1210 CG LYS A 82 4.632 -5.812 7.491 1.00 22.12 C ATOM 1211 CD LYS A 82 4.520 -7.332 7.548 1.00 70.45 C ATOM 1212 CE LYS A 82 4.015 -7.782 8.910 1.00 71.12 C ATOM 1213 NZ LYS A 82 3.972 -9.262 9.042 1.00 52.15 N ATOM 0 H LYS A 82 4.606 -3.879 3.723 1.00 50.23 H new ATOM 0 HA LYS A 82 4.066 -6.579 4.809 1.00 33.12 H new ATOM 0 HB2 LYS A 82 6.086 -5.791 5.923 1.00 40.13 H new ATOM 0 HB3 LYS A 82 5.352 -4.232 6.244 1.00 40.13 H new ATOM 0 HG2 LYS A 82 5.303 -5.474 8.281 1.00 22.12 H new ATOM 0 HG3 LYS A 82 3.655 -5.374 7.694 1.00 22.12 H new ATOM 0 HD2 LYS A 82 3.842 -7.681 6.769 1.00 70.45 H new ATOM 0 HD3 LYS A 82 5.493 -7.781 7.348 1.00 70.45 H new ATOM 0 HE2 LYS A 82 4.659 -7.370 9.687 1.00 71.12 H new ATOM 0 HE3 LYS A 82 3.017 -7.377 9.076 1.00 71.12 H new ATOM 0 HZ1 LYS A 82 3.621 -9.516 9.987 1.00 52.15 H new ATOM 0 HZ2 LYS A 82 3.337 -9.657 8.319 1.00 52.15 H new ATOM 0 HZ3 LYS A 82 4.928 -9.650 8.912 1.00 52.15 H new ATOM 1227 N ASP A 83 1.799 -5.787 5.271 1.00 21.11 N ATOM 1228 CA ASP A 83 0.423 -5.389 5.545 1.00 21.13 C ATOM 1229 C ASP A 83 0.184 -5.322 7.054 1.00 31.34 C ATOM 1230 O ASP A 83 0.674 -6.164 7.806 1.00 50.12 O ATOM 1231 CB ASP A 83 -0.544 -6.372 4.853 1.00 14.00 C ATOM 1232 CG ASP A 83 -2.010 -6.186 5.230 1.00 62.02 C ATOM 1233 OD1 ASP A 83 -2.507 -5.053 5.198 1.00 51.41 O ATOM 1234 OD2 ASP A 83 -2.656 -7.190 5.589 1.00 45.00 O ATOM 0 H ASP A 83 1.915 -6.785 5.097 1.00 21.11 H new ATOM 0 HA ASP A 83 0.239 -4.393 5.142 1.00 21.13 H new ATOM 0 HB2 ASP A 83 -0.443 -6.262 3.773 1.00 14.00 H new ATOM 0 HB3 ASP A 83 -0.245 -7.391 5.099 1.00 14.00 H new ATOM 1239 N PHE A 84 -0.552 -4.302 7.482 1.00 14.43 N ATOM 1240 CA PHE A 84 -0.834 -4.062 8.899 1.00 14.02 C ATOM 1241 C PHE A 84 -2.302 -3.704 9.131 1.00 1.44 C ATOM 1242 O PHE A 84 -2.657 -3.196 10.198 1.00 71.00 O ATOM 1243 CB PHE A 84 0.018 -2.907 9.437 1.00 53.11 C ATOM 1244 CG PHE A 84 1.437 -3.226 9.780 1.00 61.40 C ATOM 1245 CD1 PHE A 84 1.732 -4.149 10.768 1.00 43.54 C ATOM 1246 CD2 PHE A 84 2.476 -2.588 9.133 1.00 14.34 C ATOM 1247 CE1 PHE A 84 3.037 -4.423 11.108 1.00 40.32 C ATOM 1248 CE2 PHE A 84 3.783 -2.855 9.473 1.00 43.30 C ATOM 1249 CZ PHE A 84 4.065 -3.780 10.455 1.00 44.23 C ATOM 0 H PHE A 84 -0.973 -3.614 6.857 1.00 14.43 H new ATOM 0 HA PHE A 84 -0.596 -4.988 9.422 1.00 14.02 H new ATOM 0 HB2 PHE A 84 0.018 -2.109 8.694 1.00 53.11 H new ATOM 0 HB3 PHE A 84 -0.468 -2.512 10.329 1.00 53.11 H new ATOM 0 HD1 PHE A 84 0.929 -4.660 11.278 1.00 43.54 H new ATOM 0 HD2 PHE A 84 2.262 -1.873 8.353 1.00 14.34 H new ATOM 0 HE1 PHE A 84 3.255 -5.141 11.885 1.00 40.32 H new ATOM 0 HE2 PHE A 84 4.588 -2.339 8.970 1.00 43.30 H new ATOM 0 HZ PHE A 84 5.091 -4.000 10.712 1.00 44.23 H new ATOM 1259 N SER A 85 -3.137 -3.923 8.116 1.00 21.51 N ATOM 1260 CA SER A 85 -4.562 -3.601 8.184 1.00 61.32 C ATOM 1261 C SER A 85 -5.300 -4.317 9.327 1.00 33.51 C ATOM 1262 O SER A 85 -5.089 -5.502 9.586 1.00 55.00 O ATOM 1263 CB SER A 85 -5.213 -3.926 6.849 1.00 44.42 C ATOM 1264 OG SER A 85 -4.619 -3.166 5.806 1.00 62.01 O ATOM 0 H SER A 85 -2.846 -4.327 7.226 1.00 21.51 H new ATOM 0 HA SER A 85 -4.640 -2.535 8.399 1.00 61.32 H new ATOM 0 HB2 SER A 85 -5.108 -4.990 6.636 1.00 44.42 H new ATOM 0 HB3 SER A 85 -6.281 -3.714 6.898 1.00 44.42 H new ATOM 0 HG SER A 85 -3.819 -3.628 5.480 1.00 62.01 H new ATOM 1270 N GLU A 86 -6.154 -3.566 10.007 1.00 34.30 N ATOM 1271 CA GLU A 86 -6.906 -4.061 11.149 1.00 5.25 C ATOM 1272 C GLU A 86 -8.397 -3.827 10.898 1.00 55.45 C ATOM 1273 O GLU A 86 -8.755 -2.896 10.169 1.00 2.31 O ATOM 1274 CB GLU A 86 -6.442 -3.335 12.431 1.00 1.32 C ATOM 1275 CG GLU A 86 -7.023 -3.875 13.744 1.00 10.13 C ATOM 1276 CD GLU A 86 -6.771 -5.361 13.955 1.00 54.34 C ATOM 1277 OE1 GLU A 86 -5.698 -5.724 14.473 1.00 31.13 O ATOM 1278 OE2 GLU A 86 -7.652 -6.177 13.610 1.00 2.40 O ATOM 0 H GLU A 86 -6.345 -2.590 9.780 1.00 34.30 H new ATOM 0 HA GLU A 86 -6.732 -5.129 11.281 1.00 5.25 H new ATOM 0 HB2 GLU A 86 -5.355 -3.390 12.485 1.00 1.32 H new ATOM 0 HB3 GLU A 86 -6.704 -2.280 12.345 1.00 1.32 H new ATOM 0 HG2 GLU A 86 -6.593 -3.320 14.578 1.00 10.13 H new ATOM 0 HG3 GLU A 86 -8.097 -3.691 13.759 1.00 10.13 H new ATOM 1285 N ASN A 87 -9.239 -4.715 11.465 1.00 14.22 N ATOM 1286 CA ASN A 87 -10.716 -4.613 11.418 1.00 31.43 C ATOM 1287 C ASN A 87 -11.236 -4.779 9.996 1.00 41.10 C ATOM 1288 O ASN A 87 -12.199 -4.140 9.589 1.00 33.20 O ATOM 1289 CB ASN A 87 -11.188 -3.280 12.028 1.00 32.14 C ATOM 1290 CG ASN A 87 -10.935 -3.198 13.524 1.00 30.24 C ATOM 1291 OD1 ASN A 87 -11.152 -4.159 14.265 1.00 41.25 O ATOM 1292 ND2 ASN A 87 -10.395 -2.077 13.966 1.00 31.24 N ATOM 0 H ASN A 87 -8.910 -5.535 11.976 1.00 14.22 H new ATOM 0 HA ASN A 87 -11.129 -5.426 12.016 1.00 31.43 H new ATOM 0 HB2 ASN A 87 -10.676 -2.456 11.531 1.00 32.14 H new ATOM 0 HB3 ASN A 87 -12.254 -3.154 11.836 1.00 32.14 H new ATOM 0 HD21 ASN A 87 -10.143 -1.986 14.950 1.00 31.24 H new ATOM 0 HD22 ASN A 87 -10.230 -1.302 13.323 1.00 31.24 H new ATOM 1299 N ALA A 88 -10.595 -5.664 9.248 1.00 42.51 N ATOM 1300 CA ALA A 88 -10.932 -5.879 7.857 1.00 70.34 C ATOM 1301 C ALA A 88 -11.391 -7.303 7.621 1.00 14.13 C ATOM 1302 O ALA A 88 -10.888 -8.244 8.237 1.00 4.41 O ATOM 1303 CB ALA A 88 -9.732 -5.562 6.983 1.00 14.44 C ATOM 0 H ALA A 88 -9.832 -6.248 9.589 1.00 42.51 H new ATOM 0 HA ALA A 88 -11.755 -5.214 7.595 1.00 70.34 H new ATOM 0 HB1 ALA A 88 -9.991 -5.725 5.937 1.00 14.44 H new ATOM 0 HB2 ALA A 88 -9.442 -4.521 7.127 1.00 14.44 H new ATOM 0 HB3 ALA A 88 -8.901 -6.212 7.257 1.00 14.44 H new ATOM 1309 N THR A 89 -12.370 -7.442 6.744 1.00 72.32 N ATOM 1310 CA THR A 89 -12.828 -8.736 6.280 1.00 61.41 C ATOM 1311 C THR A 89 -11.941 -9.189 5.114 1.00 20.42 C ATOM 1312 O THR A 89 -11.409 -10.304 5.111 1.00 60.53 O ATOM 1313 CB THR A 89 -14.306 -8.671 5.813 1.00 12.05 C ATOM 1314 OG1 THR A 89 -15.097 -7.950 6.771 1.00 62.14 O ATOM 1315 CG2 THR A 89 -14.893 -10.065 5.632 1.00 64.14 C ATOM 0 H THR A 89 -12.871 -6.655 6.333 1.00 72.32 H new ATOM 0 HA THR A 89 -12.763 -9.447 7.104 1.00 61.41 H new ATOM 0 HB THR A 89 -14.325 -8.156 4.852 1.00 12.05 H new ATOM 0 HG1 THR A 89 -16.028 -7.913 6.466 1.00 62.14 H new ATOM 0 HG21 THR A 89 -15.929 -9.984 5.304 1.00 64.14 H new ATOM 0 HG22 THR A 89 -14.317 -10.608 4.882 1.00 64.14 H new ATOM 0 HG23 THR A 89 -14.853 -10.602 6.579 1.00 64.14 H new ATOM 1323 N SER A 90 -11.773 -8.298 4.138 1.00 34.22 N ATOM 1324 CA SER A 90 -10.954 -8.566 2.970 1.00 34.34 C ATOM 1325 C SER A 90 -9.948 -7.438 2.757 1.00 64.35 C ATOM 1326 O SER A 90 -10.192 -6.296 3.149 1.00 64.44 O ATOM 1327 CB SER A 90 -11.841 -8.722 1.731 1.00 32.43 C ATOM 1328 OG SER A 90 -12.753 -9.800 1.888 1.00 35.11 O ATOM 0 H SER A 90 -12.203 -7.373 4.140 1.00 34.22 H new ATOM 0 HA SER A 90 -10.407 -9.495 3.132 1.00 34.34 H new ATOM 0 HB2 SER A 90 -12.392 -7.798 1.556 1.00 32.43 H new ATOM 0 HB3 SER A 90 -11.218 -8.893 0.853 1.00 32.43 H new ATOM 0 HG SER A 90 -13.309 -9.878 1.085 1.00 35.11 H new ATOM 1334 N ARG A 91 -8.806 -7.776 2.160 1.00 13.41 N ATOM 1335 CA ARG A 91 -7.815 -6.783 1.765 1.00 55.41 C ATOM 1336 C ARG A 91 -7.685 -6.746 0.248 1.00 54.33 C ATOM 1337 O ARG A 91 -7.945 -7.741 -0.435 1.00 71.44 O ATOM 1338 CB ARG A 91 -6.448 -7.044 2.427 1.00 73.11 C ATOM 1339 CG ARG A 91 -5.842 -8.400 2.109 1.00 32.22 C ATOM 1340 CD ARG A 91 -4.512 -8.591 2.801 1.00 54.22 C ATOM 1341 NE ARG A 91 -3.984 -9.945 2.601 1.00 24.32 N ATOM 1342 CZ ARG A 91 -3.076 -10.533 3.390 1.00 51.21 C ATOM 1343 NH1 ARG A 91 -2.587 -9.909 4.458 1.00 2.42 N ATOM 1344 NH2 ARG A 91 -2.653 -11.754 3.109 1.00 73.23 N ATOM 0 H ARG A 91 -8.546 -8.737 1.939 1.00 13.41 H new ATOM 0 HA ARG A 91 -8.160 -5.809 2.113 1.00 55.41 H new ATOM 0 HB2 ARG A 91 -5.752 -6.266 2.112 1.00 73.11 H new ATOM 0 HB3 ARG A 91 -6.559 -6.954 3.508 1.00 73.11 H new ATOM 0 HG2 ARG A 91 -6.530 -9.188 2.417 1.00 32.22 H new ATOM 0 HG3 ARG A 91 -5.709 -8.496 1.031 1.00 32.22 H new ATOM 0 HD2 ARG A 91 -3.796 -7.862 2.421 1.00 54.22 H new ATOM 0 HD3 ARG A 91 -4.626 -8.399 3.868 1.00 54.22 H new ATOM 0 HE ARG A 91 -4.334 -10.477 1.804 1.00 24.32 H new ATOM 0 HH11 ARG A 91 -2.903 -8.967 4.687 1.00 2.42 H new ATOM 0 HH12 ARG A 91 -1.896 -10.373 5.048 1.00 2.42 H new ATOM 0 HH21 ARG A 91 -3.018 -12.245 2.293 1.00 73.23 H new ATOM 0 HH22 ARG A 91 -1.961 -12.205 3.708 1.00 73.23 H new ATOM 1358 N LEU A 92 -7.287 -5.594 -0.267 1.00 23.33 N ATOM 1359 CA LEU A 92 -7.240 -5.351 -1.699 1.00 50.54 C ATOM 1360 C LEU A 92 -6.065 -4.432 -2.016 1.00 41.20 C ATOM 1361 O LEU A 92 -6.011 -3.295 -1.556 1.00 43.40 O ATOM 1362 CB LEU A 92 -8.566 -4.699 -2.142 1.00 2.12 C ATOM 1363 CG LEU A 92 -9.122 -5.110 -3.513 1.00 54.44 C ATOM 1364 CD1 LEU A 92 -8.254 -4.615 -4.661 1.00 34.22 C ATOM 1365 CD2 LEU A 92 -9.290 -6.618 -3.571 1.00 73.41 C ATOM 0 H LEU A 92 -6.987 -4.799 0.298 1.00 23.33 H new ATOM 0 HA LEU A 92 -7.107 -6.290 -2.236 1.00 50.54 H new ATOM 0 HB2 LEU A 92 -9.322 -4.923 -1.389 1.00 2.12 H new ATOM 0 HB3 LEU A 92 -8.428 -3.618 -2.143 1.00 2.12 H new ATOM 0 HG LEU A 92 -10.096 -4.636 -3.632 1.00 54.44 H new ATOM 0 HD11 LEU A 92 -8.689 -4.931 -5.609 1.00 34.22 H new ATOM 0 HD12 LEU A 92 -8.199 -3.527 -4.632 1.00 34.22 H new ATOM 0 HD13 LEU A 92 -7.251 -5.032 -4.565 1.00 34.22 H new ATOM 0 HD21 LEU A 92 -9.685 -6.903 -4.546 1.00 73.41 H new ATOM 0 HD22 LEU A 92 -8.324 -7.098 -3.416 1.00 73.41 H new ATOM 0 HD23 LEU A 92 -9.982 -6.937 -2.792 1.00 73.41 H new ATOM 1377 N TRP A 93 -5.134 -4.921 -2.807 1.00 42.33 N ATOM 1378 CA TRP A 93 -3.999 -4.118 -3.222 1.00 41.53 C ATOM 1379 C TRP A 93 -4.281 -3.415 -4.542 1.00 22.31 C ATOM 1380 O TRP A 93 -4.509 -4.059 -5.570 1.00 70.04 O ATOM 1381 CB TRP A 93 -2.750 -4.986 -3.345 1.00 32.24 C ATOM 1382 CG TRP A 93 -2.113 -5.344 -2.032 1.00 43.34 C ATOM 1383 CD1 TRP A 93 -2.256 -6.509 -1.333 1.00 14.52 C ATOM 1384 CD2 TRP A 93 -1.212 -4.527 -1.265 1.00 14.35 C ATOM 1385 NE1 TRP A 93 -1.486 -6.474 -0.195 1.00 63.42 N ATOM 1386 CE2 TRP A 93 -0.843 -5.268 -0.128 1.00 51.34 C ATOM 1387 CE3 TRP A 93 -0.681 -3.244 -1.434 1.00 23.33 C ATOM 1388 CZ2 TRP A 93 0.036 -4.771 0.835 1.00 21.55 C ATOM 1389 CZ3 TRP A 93 0.191 -2.752 -0.480 1.00 23.43 C ATOM 1390 CH2 TRP A 93 0.539 -3.513 0.640 1.00 21.11 C ATOM 0 H TRP A 93 -5.139 -5.872 -3.177 1.00 42.33 H new ATOM 0 HA TRP A 93 -3.827 -3.358 -2.460 1.00 41.53 H new ATOM 0 HB2 TRP A 93 -3.011 -5.904 -3.871 1.00 32.24 H new ATOM 0 HB3 TRP A 93 -2.018 -4.463 -3.960 1.00 32.24 H new ATOM 0 HD1 TRP A 93 -2.883 -7.337 -1.631 1.00 14.52 H new ATOM 0 HE1 TRP A 93 -1.407 -7.226 0.489 1.00 63.42 H new ATOM 0 HE3 TRP A 93 -0.947 -2.648 -2.294 1.00 23.33 H new ATOM 0 HZ2 TRP A 93 0.309 -5.356 1.701 1.00 21.55 H new ATOM 0 HZ3 TRP A 93 0.610 -1.764 -0.602 1.00 23.43 H new ATOM 0 HH2 TRP A 93 1.221 -3.099 1.368 1.00 21.11 H new ATOM 1401 N MET A 94 -4.295 -2.085 -4.498 1.00 24.00 N ATOM 1402 CA MET A 94 -4.501 -1.273 -5.691 1.00 3.44 C ATOM 1403 C MET A 94 -3.215 -0.550 -6.066 1.00 25.30 C ATOM 1404 O MET A 94 -2.975 0.588 -5.668 1.00 24.53 O ATOM 1405 CB MET A 94 -5.640 -0.262 -5.500 1.00 42.02 C ATOM 1406 CG MET A 94 -7.028 -0.879 -5.456 1.00 42.31 C ATOM 1407 SD MET A 94 -8.329 0.364 -5.327 1.00 53.10 S ATOM 1408 CE MET A 94 -9.788 -0.674 -5.389 1.00 0.12 C ATOM 0 H MET A 94 -4.165 -1.545 -3.642 1.00 24.00 H new ATOM 0 HA MET A 94 -4.785 -1.944 -6.502 1.00 3.44 H new ATOM 0 HB2 MET A 94 -5.470 0.287 -4.574 1.00 42.02 H new ATOM 0 HB3 MET A 94 -5.604 0.464 -6.312 1.00 42.02 H new ATOM 0 HG2 MET A 94 -7.186 -1.475 -6.355 1.00 42.31 H new ATOM 0 HG3 MET A 94 -7.094 -1.559 -4.607 1.00 42.31 H new ATOM 0 HE1 MET A 94 -10.666 -0.084 -5.126 1.00 0.12 H new ATOM 0 HE2 MET A 94 -9.908 -1.074 -6.396 1.00 0.12 H new ATOM 0 HE3 MET A 94 -9.679 -1.497 -4.682 1.00 0.12 H new ATOM 1418 N PHE A 95 -2.362 -1.242 -6.803 1.00 54.45 N ATOM 1419 CA PHE A 95 -1.099 -0.665 -7.258 1.00 31.10 C ATOM 1420 C PHE A 95 -1.219 -0.089 -8.673 1.00 31.41 C ATOM 1421 O PHE A 95 -0.377 0.703 -9.100 1.00 33.40 O ATOM 1422 CB PHE A 95 0.062 -1.680 -7.149 1.00 44.22 C ATOM 1423 CG PHE A 95 -0.296 -3.117 -7.457 1.00 30.40 C ATOM 1424 CD1 PHE A 95 -0.762 -3.958 -6.453 1.00 2.42 C ATOM 1425 CD2 PHE A 95 -0.149 -3.633 -8.733 1.00 45.02 C ATOM 1426 CE1 PHE A 95 -1.080 -5.271 -6.719 1.00 42.42 C ATOM 1427 CE2 PHE A 95 -0.463 -4.950 -9.001 1.00 33.34 C ATOM 1428 CZ PHE A 95 -0.927 -5.769 -7.992 1.00 64.24 C ATOM 0 H PHE A 95 -2.517 -2.205 -7.101 1.00 54.45 H new ATOM 0 HA PHE A 95 -0.863 0.165 -6.592 1.00 31.10 H new ATOM 0 HB2 PHE A 95 0.857 -1.369 -7.826 1.00 44.22 H new ATOM 0 HB3 PHE A 95 0.468 -1.634 -6.138 1.00 44.22 H new ATOM 0 HD1 PHE A 95 -0.876 -3.576 -5.449 1.00 2.42 H new ATOM 0 HD2 PHE A 95 0.215 -2.998 -9.527 1.00 45.02 H new ATOM 0 HE1 PHE A 95 -1.449 -5.909 -5.929 1.00 42.42 H new ATOM 0 HE2 PHE A 95 -0.345 -5.340 -10.001 1.00 33.34 H new ATOM 0 HZ PHE A 95 -1.170 -6.800 -8.202 1.00 64.24 H new ATOM 1438 N GLY A 96 -2.279 -0.491 -9.384 1.00 3.14 N ATOM 1439 CA GLY A 96 -2.605 0.102 -10.679 1.00 73.34 C ATOM 1440 C GLY A 96 -1.776 -0.417 -11.849 1.00 32.21 C ATOM 1441 O GLY A 96 -1.794 0.181 -12.926 1.00 73.03 O ATOM 0 H GLY A 96 -2.922 -1.223 -9.082 1.00 3.14 H new ATOM 0 HA2 GLY A 96 -3.659 -0.079 -10.890 1.00 73.34 H new ATOM 0 HA3 GLY A 96 -2.475 1.182 -10.611 1.00 73.34 H new ATOM 1445 N ASP A 97 -1.075 -1.529 -11.657 1.00 42.45 N ATOM 1446 CA ASP A 97 -0.234 -2.089 -12.709 1.00 22.42 C ATOM 1447 C ASP A 97 -0.600 -3.550 -12.957 1.00 10.00 C ATOM 1448 O ASP A 97 -0.236 -4.440 -12.182 1.00 70.24 O ATOM 1449 CB ASP A 97 1.257 -1.948 -12.356 1.00 21.42 C ATOM 1450 CG ASP A 97 2.168 -2.360 -13.503 1.00 3.12 C ATOM 1451 OD1 ASP A 97 2.330 -1.567 -14.451 1.00 5.12 O ATOM 1452 OD2 ASP A 97 2.718 -3.478 -13.469 1.00 22.21 O ATOM 0 H ASP A 97 -1.072 -2.059 -10.786 1.00 42.45 H new ATOM 0 HA ASP A 97 -0.412 -1.528 -13.627 1.00 22.42 H new ATOM 0 HB2 ASP A 97 1.466 -0.914 -12.083 1.00 21.42 H new ATOM 0 HB3 ASP A 97 1.480 -2.560 -11.482 1.00 21.42 H new ATOM 1457 N GLY A 98 -1.346 -3.781 -14.032 1.00 73.23 N ATOM 1458 CA GLY A 98 -1.775 -5.120 -14.365 1.00 52.12 C ATOM 1459 C GLY A 98 -3.040 -5.518 -13.639 1.00 31.42 C ATOM 1460 O GLY A 98 -4.042 -4.797 -13.665 1.00 31.30 O ATOM 0 H GLY A 98 -1.661 -3.058 -14.679 1.00 73.23 H new ATOM 0 HA2 GLY A 98 -1.940 -5.189 -15.440 1.00 52.12 H new ATOM 0 HA3 GLY A 98 -0.981 -5.825 -14.118 1.00 52.12 H new ATOM 1464 N ASN A 99 -2.976 -6.672 -13.001 1.00 2.21 N ATOM 1465 CA ASN A 99 -4.116 -7.245 -12.293 1.00 64.20 C ATOM 1466 C ASN A 99 -4.258 -6.671 -10.888 1.00 71.31 C ATOM 1467 O ASN A 99 -3.277 -6.539 -10.159 1.00 14.33 O ATOM 1468 CB ASN A 99 -3.982 -8.772 -12.216 1.00 63.24 C ATOM 1469 CG ASN A 99 -4.082 -9.445 -13.577 1.00 51.04 C ATOM 1470 OD1 ASN A 99 -4.789 -8.975 -14.473 1.00 70.34 O ATOM 1471 ND2 ASN A 99 -3.378 -10.554 -13.740 1.00 62.22 N ATOM 0 H ASN A 99 -2.132 -7.243 -12.956 1.00 2.21 H new ATOM 0 HA ASN A 99 -5.012 -6.984 -12.856 1.00 64.20 H new ATOM 0 HB2 ASN A 99 -3.024 -9.025 -11.761 1.00 63.24 H new ATOM 0 HB3 ASN A 99 -4.760 -9.167 -11.563 1.00 63.24 H new ATOM 0 HD21 ASN A 99 -3.408 -11.051 -14.630 1.00 62.22 H new ATOM 0 HD22 ASN A 99 -2.805 -10.911 -12.975 1.00 62.22 H new ATOM 1478 N THR A 100 -5.479 -6.276 -10.550 1.00 55.33 N ATOM 1479 CA THR A 100 -5.852 -5.937 -9.179 1.00 53.05 C ATOM 1480 C THR A 100 -7.028 -6.819 -8.750 1.00 52.31 C ATOM 1481 O THR A 100 -7.709 -7.386 -9.614 1.00 53.41 O ATOM 1482 CB THR A 100 -6.232 -4.443 -9.029 1.00 4.54 C ATOM 1483 OG1 THR A 100 -7.144 -4.054 -10.063 1.00 5.05 O ATOM 1484 CG2 THR A 100 -4.996 -3.544 -9.048 1.00 33.31 C ATOM 0 H THR A 100 -6.242 -6.181 -11.220 1.00 55.33 H new ATOM 0 HA THR A 100 -4.988 -6.115 -8.539 1.00 53.05 H new ATOM 0 HB THR A 100 -6.718 -4.321 -8.061 1.00 4.54 H new ATOM 0 HG1 THR A 100 -7.377 -3.108 -9.955 1.00 5.05 H new ATOM 0 HG21 THR A 100 -5.301 -2.503 -8.940 1.00 33.31 H new ATOM 0 HG22 THR A 100 -4.336 -3.815 -8.224 1.00 33.31 H new ATOM 0 HG23 THR A 100 -4.468 -3.671 -9.993 1.00 33.31 H new ATOM 1602 N THR A 109 9.060 -3.319 -7.707 1.00 64.11 N ATOM 1603 CA THR A 109 10.328 -3.281 -8.396 1.00 20.41 C ATOM 1604 C THR A 109 10.621 -1.867 -8.874 1.00 3.24 C ATOM 1605 O THR A 109 10.058 -1.398 -9.869 1.00 11.43 O ATOM 1606 CB THR A 109 10.350 -4.275 -9.576 1.00 31.53 C ATOM 1607 OG1 THR A 109 9.953 -5.577 -9.124 1.00 43.10 O ATOM 1608 CG2 THR A 109 11.734 -4.371 -10.192 1.00 74.23 C ATOM 0 HA THR A 109 11.108 -3.582 -7.697 1.00 20.41 H new ATOM 0 HB THR A 109 9.655 -3.909 -10.331 1.00 31.53 H new ATOM 0 HG1 THR A 109 9.337 -5.487 -8.367 1.00 43.10 H new ATOM 0 HG21 THR A 109 11.715 -5.079 -11.020 1.00 74.23 H new ATOM 0 HG22 THR A 109 12.037 -3.391 -10.560 1.00 74.23 H new ATOM 0 HG23 THR A 109 12.445 -4.712 -9.439 1.00 74.23 H new ATOM 1616 N PHE A 110 11.473 -1.182 -8.127 1.00 74.20 N ATOM 1617 CA PHE A 110 11.887 0.165 -8.481 1.00 35.40 C ATOM 1618 C PHE A 110 13.257 0.093 -9.152 1.00 64.42 C ATOM 1619 O PHE A 110 14.289 0.355 -8.536 1.00 45.35 O ATOM 1620 CB PHE A 110 11.942 1.100 -7.250 1.00 54.21 C ATOM 1621 CG PHE A 110 10.613 1.461 -6.598 1.00 31.01 C ATOM 1622 CD1 PHE A 110 9.586 0.535 -6.428 1.00 25.43 C ATOM 1623 CD2 PHE A 110 10.419 2.741 -6.110 1.00 72.24 C ATOM 1624 CE1 PHE A 110 8.412 0.879 -5.792 1.00 42.43 C ATOM 1625 CE2 PHE A 110 9.243 3.092 -5.481 1.00 51.34 C ATOM 1626 CZ PHE A 110 8.240 2.159 -5.317 1.00 42.14 C ATOM 0 H PHE A 110 11.892 -1.539 -7.269 1.00 74.20 H new ATOM 0 HA PHE A 110 11.149 0.586 -9.164 1.00 35.40 H new ATOM 0 HB2 PHE A 110 12.573 0.631 -6.496 1.00 54.21 H new ATOM 0 HB3 PHE A 110 12.436 2.025 -7.548 1.00 54.21 H new ATOM 0 HD1 PHE A 110 9.712 -0.471 -6.801 1.00 25.43 H new ATOM 0 HD2 PHE A 110 11.201 3.477 -6.223 1.00 72.24 H new ATOM 0 HE1 PHE A 110 7.629 0.146 -5.667 1.00 42.43 H new ATOM 0 HE2 PHE A 110 9.107 4.099 -5.116 1.00 51.34 H new ATOM 0 HZ PHE A 110 7.322 2.432 -4.817 1.00 42.14 H new ATOM 1636 N PHE A 111 13.256 -0.318 -10.413 1.00 61.13 N ATOM 1637 CA PHE A 111 14.492 -0.460 -11.182 1.00 3.32 C ATOM 1638 C PHE A 111 14.954 0.890 -11.739 1.00 0.35 C ATOM 1639 O PHE A 111 16.088 1.033 -12.197 1.00 15.33 O ATOM 1640 CB PHE A 111 14.327 -1.510 -12.306 1.00 34.31 C ATOM 1641 CG PHE A 111 13.179 -1.272 -13.264 1.00 54.22 C ATOM 1642 CD1 PHE A 111 11.923 -1.800 -13.009 1.00 43.44 C ATOM 1643 CD2 PHE A 111 13.364 -0.540 -14.430 1.00 52.31 C ATOM 1644 CE1 PHE A 111 10.875 -1.596 -13.886 1.00 60.13 C ATOM 1645 CE2 PHE A 111 12.320 -0.333 -15.309 1.00 35.54 C ATOM 1646 CZ PHE A 111 11.075 -0.864 -15.038 1.00 54.24 C ATOM 0 H PHE A 111 12.411 -0.561 -10.930 1.00 61.13 H new ATOM 0 HA PHE A 111 15.269 -0.818 -10.507 1.00 3.32 H new ATOM 0 HB2 PHE A 111 15.253 -1.549 -12.880 1.00 34.31 H new ATOM 0 HB3 PHE A 111 14.195 -2.490 -11.846 1.00 34.31 H new ATOM 0 HD1 PHE A 111 11.761 -2.379 -12.112 1.00 43.44 H new ATOM 0 HD2 PHE A 111 14.337 -0.128 -14.652 1.00 52.31 H new ATOM 0 HE1 PHE A 111 9.901 -2.009 -13.670 1.00 60.13 H new ATOM 0 HE2 PHE A 111 12.477 0.244 -16.208 1.00 35.54 H new ATOM 0 HZ PHE A 111 10.258 -0.707 -15.727 1.00 54.24 H new ATOM 1656 N ASN A 112 14.060 1.866 -11.680 1.00 13.22 N ATOM 1657 CA ASN A 112 14.331 3.205 -12.160 1.00 4.20 C ATOM 1658 C ASN A 112 13.860 4.233 -11.136 1.00 1.21 C ATOM 1659 O ASN A 112 13.104 3.902 -10.215 1.00 64.32 O ATOM 1660 CB ASN A 112 13.642 3.426 -13.518 1.00 52.23 C ATOM 1661 CG ASN A 112 12.120 3.393 -13.446 1.00 22.43 C ATOM 1662 OD1 ASN A 112 11.507 2.328 -13.449 1.00 64.22 O ATOM 1663 ND2 ASN A 112 11.497 4.558 -13.428 1.00 23.32 N ATOM 0 H ASN A 112 13.123 1.747 -11.295 1.00 13.22 H new ATOM 0 HA ASN A 112 15.405 3.327 -12.297 1.00 4.20 H new ATOM 0 HB2 ASN A 112 13.957 4.388 -13.923 1.00 52.23 H new ATOM 0 HB3 ASN A 112 13.980 2.660 -14.216 1.00 52.23 H new ATOM 0 HD21 ASN A 112 10.478 4.591 -13.416 1.00 23.32 H new ATOM 0 HD22 ASN A 112 12.035 5.424 -13.426 1.00 23.32 H new ATOM 1670 N GLU A 113 14.309 5.475 -11.307 1.00 32.43 N ATOM 1671 CA GLU A 113 13.918 6.569 -10.423 1.00 50.24 C ATOM 1672 C GLU A 113 12.535 7.092 -10.783 1.00 32.34 C ATOM 1673 O GLU A 113 12.126 7.076 -11.949 1.00 53.44 O ATOM 1674 CB GLU A 113 14.916 7.731 -10.473 1.00 71.04 C ATOM 1675 CG GLU A 113 16.368 7.319 -10.323 1.00 15.11 C ATOM 1676 CD GLU A 113 17.093 7.303 -11.655 1.00 52.11 C ATOM 1677 OE1 GLU A 113 16.834 6.391 -12.470 1.00 10.02 O ATOM 1678 OE2 GLU A 113 17.902 8.217 -11.905 1.00 71.01 O ATOM 0 H GLU A 113 14.947 5.749 -12.054 1.00 32.43 H new ATOM 0 HA GLU A 113 13.906 6.162 -9.412 1.00 50.24 H new ATOM 0 HB2 GLU A 113 14.796 8.256 -11.421 1.00 71.04 H new ATOM 0 HB3 GLU A 113 14.669 8.440 -9.683 1.00 71.04 H new ATOM 0 HG2 GLU A 113 16.872 8.007 -9.644 1.00 15.11 H new ATOM 0 HG3 GLU A 113 16.419 6.329 -9.870 1.00 15.11 H new ATOM 1685 N GLY A 114 11.860 7.590 -9.778 1.00 74.31 N ATOM 1686 CA GLY A 114 10.509 8.065 -9.929 1.00 62.22 C ATOM 1687 C GLY A 114 9.807 8.112 -8.601 1.00 21.00 C ATOM 1688 O GLY A 114 10.407 7.806 -7.573 1.00 44.20 O ATOM 0 H GLY A 114 12.232 7.677 -8.832 1.00 74.31 H new ATOM 0 HA2 GLY A 114 10.516 9.059 -10.377 1.00 62.22 H new ATOM 0 HA3 GLY A 114 9.964 7.412 -10.611 1.00 62.22 H new ATOM 1692 N GLU A 115 8.551 8.492 -8.609 1.00 63.25 N ATOM 1693 CA GLU A 115 7.794 8.570 -7.381 1.00 14.30 C ATOM 1694 C GLU A 115 6.514 7.753 -7.534 1.00 51.11 C ATOM 1695 O GLU A 115 5.555 8.177 -8.182 1.00 3.43 O ATOM 1696 CB GLU A 115 7.533 10.038 -7.044 1.00 14.02 C ATOM 1697 CG GLU A 115 7.120 10.286 -5.606 1.00 72.33 C ATOM 1698 CD GLU A 115 6.961 11.758 -5.280 1.00 13.11 C ATOM 1699 OE1 GLU A 115 6.003 12.383 -5.768 1.00 4.05 O ATOM 1700 OE2 GLU A 115 7.785 12.290 -4.512 1.00 72.51 O ATOM 0 H GLU A 115 8.033 8.751 -9.449 1.00 63.25 H new ATOM 0 HA GLU A 115 8.350 8.145 -6.545 1.00 14.30 H new ATOM 0 HB2 GLU A 115 8.435 10.613 -7.255 1.00 14.02 H new ATOM 0 HB3 GLU A 115 6.753 10.417 -7.704 1.00 14.02 H new ATOM 0 HG2 GLU A 115 6.178 9.773 -5.411 1.00 72.33 H new ATOM 0 HG3 GLU A 115 7.865 9.850 -4.940 1.00 72.33 H new ATOM 1707 N TYR A 116 6.536 6.558 -6.956 1.00 5.43 N ATOM 1708 CA TYR A 116 5.479 5.575 -7.144 1.00 31.54 C ATOM 1709 C TYR A 116 4.567 5.540 -5.933 1.00 12.41 C ATOM 1710 O TYR A 116 5.035 5.444 -4.800 1.00 64.13 O ATOM 1711 CB TYR A 116 6.073 4.179 -7.366 1.00 50.14 C ATOM 1712 CG TYR A 116 6.840 3.995 -8.660 1.00 74.41 C ATOM 1713 CD1 TYR A 116 8.178 4.362 -8.769 1.00 53.11 C ATOM 1714 CD2 TYR A 116 6.224 3.436 -9.767 1.00 21.01 C ATOM 1715 CE1 TYR A 116 8.875 4.182 -9.949 1.00 10.00 C ATOM 1716 CE2 TYR A 116 6.912 3.250 -10.949 1.00 75.02 C ATOM 1717 CZ TYR A 116 8.236 3.624 -11.037 1.00 51.30 C ATOM 1718 OH TYR A 116 8.916 3.442 -12.216 1.00 30.04 O ATOM 0 H TYR A 116 7.289 6.244 -6.343 1.00 5.43 H new ATOM 0 HA TYR A 116 4.904 5.865 -8.023 1.00 31.54 H new ATOM 0 HB2 TYR A 116 6.738 3.950 -6.534 1.00 50.14 H new ATOM 0 HB3 TYR A 116 5.263 3.450 -7.337 1.00 50.14 H new ATOM 0 HD1 TYR A 116 8.681 4.795 -7.917 1.00 53.11 H new ATOM 0 HD2 TYR A 116 5.187 3.140 -9.704 1.00 21.01 H new ATOM 0 HE1 TYR A 116 9.912 4.476 -10.019 1.00 10.00 H new ATOM 0 HE2 TYR A 116 6.415 2.813 -11.802 1.00 75.02 H new ATOM 0 HH TYR A 116 9.785 3.028 -12.032 1.00 30.04 H new ATOM 1728 N ILE A 117 3.271 5.603 -6.173 1.00 41.14 N ATOM 1729 CA ILE A 117 2.300 5.635 -5.090 1.00 51.51 C ATOM 1730 C ILE A 117 1.659 4.258 -4.912 1.00 51.11 C ATOM 1731 O ILE A 117 0.926 3.778 -5.781 1.00 1.41 O ATOM 1732 CB ILE A 117 1.205 6.709 -5.324 1.00 12.24 C ATOM 1733 CG1 ILE A 117 1.836 8.027 -5.791 1.00 24.21 C ATOM 1734 CG2 ILE A 117 0.426 6.942 -4.032 1.00 50.12 C ATOM 1735 CD1 ILE A 117 0.838 9.084 -6.231 1.00 32.24 C ATOM 0 H ILE A 117 2.864 5.633 -7.108 1.00 41.14 H new ATOM 0 HA ILE A 117 2.835 5.904 -4.179 1.00 51.51 H new ATOM 0 HB ILE A 117 0.526 6.352 -6.099 1.00 12.24 H new ATOM 0 HG12 ILE A 117 2.441 8.432 -4.980 1.00 24.21 H new ATOM 0 HG13 ILE A 117 2.513 7.817 -6.620 1.00 24.21 H new ATOM 0 HG21 ILE A 117 -0.342 7.697 -4.201 1.00 50.12 H new ATOM 0 HG22 ILE A 117 -0.044 6.010 -3.718 1.00 50.12 H new ATOM 0 HG23 ILE A 117 1.107 7.285 -3.253 1.00 50.12 H new ATOM 0 HD11 ILE A 117 1.372 9.981 -6.544 1.00 32.24 H new ATOM 0 HD12 ILE A 117 0.248 8.703 -7.065 1.00 32.24 H new ATOM 0 HD13 ILE A 117 0.176 9.328 -5.400 1.00 32.24 H new ATOM 1747 N VAL A 118 1.974 3.627 -3.788 1.00 61.01 N ATOM 1748 CA VAL A 118 1.431 2.315 -3.440 1.00 20.54 C ATOM 1749 C VAL A 118 0.148 2.508 -2.627 1.00 43.32 C ATOM 1750 O VAL A 118 0.133 3.300 -1.686 1.00 0.51 O ATOM 1751 CB VAL A 118 2.458 1.476 -2.620 1.00 3.42 C ATOM 1752 CG1 VAL A 118 1.942 0.067 -2.355 1.00 14.21 C ATOM 1753 CG2 VAL A 118 3.812 1.416 -3.325 1.00 74.15 C ATOM 0 H VAL A 118 2.613 4.008 -3.090 1.00 61.01 H new ATOM 0 HA VAL A 118 1.215 1.770 -4.359 1.00 20.54 H new ATOM 0 HB VAL A 118 2.589 1.978 -1.661 1.00 3.42 H new ATOM 0 HG11 VAL A 118 2.683 -0.490 -1.781 1.00 14.21 H new ATOM 0 HG12 VAL A 118 1.011 0.121 -1.790 1.00 14.21 H new ATOM 0 HG13 VAL A 118 1.762 -0.439 -3.304 1.00 14.21 H new ATOM 0 HG21 VAL A 118 4.507 0.824 -2.729 1.00 74.15 H new ATOM 0 HG22 VAL A 118 3.692 0.955 -4.306 1.00 74.15 H new ATOM 0 HG23 VAL A 118 4.205 2.426 -3.444 1.00 74.15 H new ATOM 1763 N SER A 119 -0.920 1.805 -2.993 1.00 33.41 N ATOM 1764 CA SER A 119 -2.188 1.928 -2.287 1.00 23.42 C ATOM 1765 C SER A 119 -2.695 0.568 -1.801 1.00 33.31 C ATOM 1766 O SER A 119 -2.545 -0.455 -2.478 1.00 4.21 O ATOM 1767 CB SER A 119 -3.233 2.604 -3.187 1.00 33.23 C ATOM 1768 OG SER A 119 -4.430 2.878 -2.481 1.00 53.52 O ATOM 0 H SER A 119 -0.931 1.147 -3.772 1.00 33.41 H new ATOM 0 HA SER A 119 -2.023 2.550 -1.407 1.00 23.42 H new ATOM 0 HB2 SER A 119 -2.824 3.533 -3.586 1.00 33.23 H new ATOM 0 HB3 SER A 119 -3.452 1.960 -4.039 1.00 33.23 H new ATOM 0 HG SER A 119 -5.073 3.309 -3.082 1.00 53.52 H new ATOM 1774 N LEU A 120 -3.288 0.589 -0.614 1.00 3.12 N ATOM 1775 CA LEU A 120 -3.928 -0.571 -0.007 1.00 52.20 C ATOM 1776 C LEU A 120 -5.289 -0.150 0.533 1.00 74.14 C ATOM 1777 O LEU A 120 -5.405 0.832 1.266 1.00 23.32 O ATOM 1778 CB LEU A 120 -3.016 -1.153 1.101 1.00 20.44 C ATOM 1779 CG LEU A 120 -3.568 -2.293 1.995 1.00 44.51 C ATOM 1780 CD1 LEU A 120 -4.051 -3.487 1.182 1.00 50.01 C ATOM 1781 CD2 LEU A 120 -2.487 -2.744 2.946 1.00 70.15 C ATOM 0 H LEU A 120 -3.338 1.428 -0.036 1.00 3.12 H new ATOM 0 HA LEU A 120 -4.080 -1.358 -0.745 1.00 52.20 H new ATOM 0 HB2 LEU A 120 -2.107 -1.518 0.623 1.00 20.44 H new ATOM 0 HB3 LEU A 120 -2.725 -0.331 1.755 1.00 20.44 H new ATOM 0 HG LEU A 120 -4.426 -1.898 2.540 1.00 44.51 H new ATOM 0 HD11 LEU A 120 -4.428 -4.257 1.855 1.00 50.01 H new ATOM 0 HD12 LEU A 120 -4.849 -3.171 0.510 1.00 50.01 H new ATOM 0 HD13 LEU A 120 -3.223 -3.889 0.598 1.00 50.01 H new ATOM 0 HD21 LEU A 120 -2.869 -3.546 3.578 1.00 70.15 H new ATOM 0 HD22 LEU A 120 -1.631 -3.107 2.378 1.00 70.15 H new ATOM 0 HD23 LEU A 120 -2.179 -1.906 3.571 1.00 70.15 H new ATOM 1793 N ILE A 121 -6.315 -0.876 0.137 1.00 52.40 N ATOM 1794 CA ILE A 121 -7.674 -0.621 0.583 1.00 11.33 C ATOM 1795 C ILE A 121 -8.243 -1.899 1.186 1.00 65.42 C ATOM 1796 O ILE A 121 -8.014 -2.987 0.682 1.00 13.13 O ATOM 1797 CB ILE A 121 -8.580 -0.074 -0.579 1.00 1.32 C ATOM 1798 CG1 ILE A 121 -10.043 0.110 -0.116 1.00 75.31 C ATOM 1799 CG2 ILE A 121 -8.506 -0.971 -1.813 1.00 33.14 C ATOM 1800 CD1 ILE A 121 -10.953 0.769 -1.135 1.00 53.31 C ATOM 0 H ILE A 121 -6.231 -1.663 -0.506 1.00 52.40 H new ATOM 0 HA ILE A 121 -7.657 0.159 1.344 1.00 11.33 H new ATOM 0 HB ILE A 121 -8.193 0.907 -0.856 1.00 1.32 H new ATOM 0 HG12 ILE A 121 -10.454 -0.866 0.140 1.00 75.31 H new ATOM 0 HG13 ILE A 121 -10.049 0.707 0.796 1.00 75.31 H new ATOM 0 HG21 ILE A 121 -9.144 -0.564 -2.597 1.00 33.14 H new ATOM 0 HG22 ILE A 121 -7.477 -1.016 -2.169 1.00 33.14 H new ATOM 0 HG23 ILE A 121 -8.844 -1.974 -1.554 1.00 33.14 H new ATOM 0 HD11 ILE A 121 -11.958 0.856 -0.723 1.00 53.31 H new ATOM 0 HD12 ILE A 121 -10.572 1.762 -1.375 1.00 53.31 H new ATOM 0 HD13 ILE A 121 -10.984 0.163 -2.041 1.00 53.31 H new ATOM 1812 N VAL A 122 -8.929 -1.774 2.302 1.00 50.42 N ATOM 1813 CA VAL A 122 -9.564 -2.915 2.933 1.00 24.25 C ATOM 1814 C VAL A 122 -11.055 -2.678 3.088 1.00 24.33 C ATOM 1815 O VAL A 122 -11.521 -1.540 3.042 1.00 63.12 O ATOM 1816 CB VAL A 122 -8.938 -3.264 4.302 1.00 2.01 C ATOM 1817 CG1 VAL A 122 -7.552 -3.849 4.119 1.00 32.30 C ATOM 1818 CG2 VAL A 122 -8.875 -2.052 5.217 1.00 64.23 C ATOM 0 H VAL A 122 -9.062 -0.890 2.794 1.00 50.42 H new ATOM 0 HA VAL A 122 -9.398 -3.768 2.275 1.00 24.25 H new ATOM 0 HB VAL A 122 -9.581 -4.007 4.774 1.00 2.01 H new ATOM 0 HG11 VAL A 122 -7.127 -4.089 5.094 1.00 32.30 H new ATOM 0 HG12 VAL A 122 -7.616 -4.756 3.518 1.00 32.30 H new ATOM 0 HG13 VAL A 122 -6.915 -3.123 3.614 1.00 32.30 H new ATOM 0 HG21 VAL A 122 -8.429 -2.338 6.170 1.00 64.23 H new ATOM 0 HG22 VAL A 122 -8.269 -1.275 4.751 1.00 64.23 H new ATOM 0 HG23 VAL A 122 -9.882 -1.672 5.388 1.00 64.23 H new ATOM 1828 N SER A 123 -11.803 -3.751 3.279 1.00 70.41 N ATOM 1829 CA SER A 123 -13.243 -3.671 3.356 1.00 22.02 C ATOM 1830 C SER A 123 -13.757 -4.439 4.564 1.00 70.40 C ATOM 1831 O SER A 123 -13.261 -5.513 4.882 1.00 51.45 O ATOM 1832 CB SER A 123 -13.865 -4.217 2.068 1.00 71.34 C ATOM 1833 OG SER A 123 -13.328 -5.489 1.744 1.00 61.51 O ATOM 0 H SER A 123 -11.428 -4.694 3.384 1.00 70.41 H new ATOM 0 HA SER A 123 -13.531 -2.626 3.470 1.00 22.02 H new ATOM 0 HB2 SER A 123 -14.946 -4.294 2.186 1.00 71.34 H new ATOM 0 HB3 SER A 123 -13.683 -3.522 1.249 1.00 71.34 H new ATOM 0 HG SER A 123 -13.742 -5.818 0.919 1.00 61.51 H new ATOM 1839 N ASN A 124 -14.730 -3.859 5.230 1.00 32.24 N ATOM 1840 CA ASN A 124 -15.430 -4.481 6.345 1.00 41.32 C ATOM 1841 C ASN A 124 -16.909 -4.557 5.946 1.00 22.11 C ATOM 1842 O ASN A 124 -17.268 -4.122 4.844 1.00 50.31 O ATOM 1843 CB ASN A 124 -15.194 -3.624 7.616 1.00 4.44 C ATOM 1844 CG ASN A 124 -15.750 -4.203 8.913 1.00 0.21 C ATOM 1845 OD1 ASN A 124 -16.874 -3.899 9.303 1.00 4.13 O ATOM 1846 ND2 ASN A 124 -14.962 -5.025 9.590 1.00 54.52 N ATOM 0 H ASN A 124 -15.068 -2.922 5.011 1.00 32.24 H new ATOM 0 HA ASN A 124 -15.072 -5.486 6.568 1.00 41.32 H new ATOM 0 HB2 ASN A 124 -14.121 -3.473 7.737 1.00 4.44 H new ATOM 0 HB3 ASN A 124 -15.638 -2.641 7.458 1.00 4.44 H new ATOM 0 HD21 ASN A 124 -15.283 -5.430 10.469 1.00 54.52 H new ATOM 0 HD22 ASN A 124 -14.034 -5.253 9.232 1.00 54.52 H new ATOM 1853 N GLU A 125 -17.768 -5.089 6.811 1.00 23.21 N ATOM 1854 CA GLU A 125 -19.211 -5.133 6.573 1.00 40.53 C ATOM 1855 C GLU A 125 -19.819 -3.722 6.711 1.00 53.01 C ATOM 1856 O GLU A 125 -20.823 -3.386 6.070 1.00 1.13 O ATOM 1857 CB GLU A 125 -19.854 -6.088 7.589 1.00 50.11 C ATOM 1858 CG GLU A 125 -21.330 -6.383 7.347 1.00 14.53 C ATOM 1859 CD GLU A 125 -21.577 -7.437 6.268 1.00 63.20 C ATOM 1860 OE1 GLU A 125 -20.946 -7.372 5.192 1.00 51.21 O ATOM 1861 OE2 GLU A 125 -22.410 -8.341 6.494 1.00 71.21 O ATOM 0 H GLU A 125 -17.484 -5.503 7.699 1.00 23.21 H new ATOM 0 HA GLU A 125 -19.403 -5.490 5.561 1.00 40.53 H new ATOM 0 HB2 GLU A 125 -19.304 -7.029 7.580 1.00 50.11 H new ATOM 0 HB3 GLU A 125 -19.742 -5.663 8.587 1.00 50.11 H new ATOM 0 HG2 GLU A 125 -21.782 -6.718 8.280 1.00 14.53 H new ATOM 0 HG3 GLU A 125 -21.834 -5.459 7.062 1.00 14.53 H new ATOM 1868 N ASN A 126 -19.154 -2.906 7.521 1.00 15.41 N ATOM 1869 CA ASN A 126 -19.576 -1.540 7.816 1.00 45.01 C ATOM 1870 C ASN A 126 -19.197 -0.574 6.683 1.00 43.11 C ATOM 1871 O ASN A 126 -20.061 0.100 6.123 1.00 5.45 O ATOM 1872 CB ASN A 126 -18.930 -1.096 9.136 1.00 55.45 C ATOM 1873 CG ASN A 126 -19.425 0.243 9.653 1.00 22.45 C ATOM 1874 OD1 ASN A 126 -20.546 0.662 9.386 1.00 14.24 O ATOM 1875 ND2 ASN A 126 -18.589 0.897 10.429 1.00 41.11 N ATOM 0 H ASN A 126 -18.294 -3.178 7.998 1.00 15.41 H new ATOM 0 HA ASN A 126 -20.662 -1.520 7.906 1.00 45.01 H new ATOM 0 HB2 ASN A 126 -19.118 -1.857 9.893 1.00 55.45 H new ATOM 0 HB3 ASN A 126 -17.850 -1.043 8.999 1.00 55.45 H new ATOM 0 HD21 ASN A 126 -18.864 1.791 10.836 1.00 41.11 H new ATOM 0 HD22 ASN A 126 -17.666 0.510 10.624 1.00 41.11 H new ATOM 1882 N ASP A 127 -17.907 -0.531 6.344 1.00 43.22 N ATOM 1883 CA ASP A 127 -17.375 0.480 5.421 1.00 1.31 C ATOM 1884 C ASP A 127 -16.060 -0.011 4.814 1.00 51.51 C ATOM 1885 O ASP A 127 -15.589 -1.090 5.160 1.00 5.15 O ATOM 1886 CB ASP A 127 -17.169 1.797 6.198 1.00 63.34 C ATOM 1887 CG ASP A 127 -17.056 3.045 5.331 1.00 30.02 C ATOM 1888 OD1 ASP A 127 -17.506 3.024 4.172 1.00 4.14 O ATOM 1889 OD2 ASP A 127 -16.529 4.052 5.829 1.00 32.51 O ATOM 0 H ASP A 127 -17.208 -1.186 6.695 1.00 43.22 H new ATOM 0 HA ASP A 127 -18.076 0.653 4.604 1.00 1.31 H new ATOM 0 HB2 ASP A 127 -18.001 1.927 6.889 1.00 63.34 H new ATOM 0 HB3 ASP A 127 -16.265 1.708 6.801 1.00 63.34 H new ATOM 1894 N SER A 128 -15.483 0.752 3.893 1.00 73.01 N ATOM 1895 CA SER A 128 -14.165 0.459 3.351 1.00 32.22 C ATOM 1896 C SER A 128 -13.205 1.621 3.615 1.00 44.02 C ATOM 1897 O SER A 128 -13.590 2.790 3.529 1.00 61.24 O ATOM 1898 CB SER A 128 -14.256 0.148 1.852 1.00 31.12 C ATOM 1899 OG SER A 128 -15.090 1.076 1.180 1.00 13.52 O ATOM 0 H SER A 128 -15.916 1.589 3.503 1.00 73.01 H new ATOM 0 HA SER A 128 -13.771 -0.424 3.855 1.00 32.22 H new ATOM 0 HB2 SER A 128 -13.258 0.169 1.413 1.00 31.12 H new ATOM 0 HB3 SER A 128 -14.644 -0.861 1.711 1.00 31.12 H new ATOM 0 HG SER A 128 -15.126 0.852 0.227 1.00 13.52 H new ATOM 1905 N ASP A 129 -11.956 1.291 3.939 1.00 11.13 N ATOM 1906 CA ASP A 129 -10.944 2.284 4.288 1.00 51.42 C ATOM 1907 C ASP A 129 -9.698 2.070 3.441 1.00 74.54 C ATOM 1908 O ASP A 129 -9.283 0.935 3.244 1.00 0.14 O ATOM 1909 CB ASP A 129 -10.591 2.165 5.776 1.00 51.44 C ATOM 1910 CG ASP A 129 -9.691 3.283 6.266 1.00 23.32 C ATOM 1911 OD1 ASP A 129 -10.205 4.380 6.552 1.00 54.12 O ATOM 1912 OD2 ASP A 129 -8.468 3.072 6.353 1.00 63.33 O ATOM 0 H ASP A 129 -11.618 0.329 3.967 1.00 11.13 H new ATOM 0 HA ASP A 129 -11.339 3.281 4.094 1.00 51.42 H new ATOM 0 HB2 ASP A 129 -11.510 2.163 6.362 1.00 51.44 H new ATOM 0 HB3 ASP A 129 -10.100 1.208 5.951 1.00 51.44 H new ATOM 1917 N SER A 130 -9.105 3.149 2.942 1.00 60.11 N ATOM 1918 CA SER A 130 -7.900 3.045 2.140 1.00 23.13 C ATOM 1919 C SER A 130 -6.828 4.007 2.633 1.00 74.42 C ATOM 1920 O SER A 130 -7.115 5.146 3.012 1.00 54.21 O ATOM 1921 CB SER A 130 -8.210 3.321 0.663 1.00 43.25 C ATOM 1922 OG SER A 130 -7.082 3.060 -0.163 1.00 64.42 O ATOM 0 H SER A 130 -9.441 4.102 3.080 1.00 60.11 H new ATOM 0 HA SER A 130 -7.522 2.027 2.239 1.00 23.13 H new ATOM 0 HB2 SER A 130 -9.048 2.701 0.344 1.00 43.25 H new ATOM 0 HB3 SER A 130 -8.518 4.360 0.543 1.00 43.25 H new ATOM 0 HG SER A 130 -6.527 2.366 0.251 1.00 64.42 H new ATOM 1928 N ALA A 131 -5.594 3.524 2.625 1.00 3.21 N ATOM 1929 CA ALA A 131 -4.428 4.343 2.888 1.00 54.02 C ATOM 1930 C ALA A 131 -3.439 4.173 1.753 1.00 13.25 C ATOM 1931 O ALA A 131 -3.340 3.095 1.162 1.00 11.24 O ATOM 1932 CB ALA A 131 -3.785 3.981 4.218 1.00 12.40 C ATOM 0 H ALA A 131 -5.376 2.546 2.434 1.00 3.21 H new ATOM 0 HA ALA A 131 -4.737 5.386 2.952 1.00 54.02 H new ATOM 0 HB1 ALA A 131 -2.913 4.614 4.385 1.00 12.40 H new ATOM 0 HB2 ALA A 131 -4.504 4.134 5.023 1.00 12.40 H new ATOM 0 HB3 ALA A 131 -3.477 2.936 4.200 1.00 12.40 H new ATOM 1938 N SER A 132 -2.733 5.237 1.431 1.00 52.43 N ATOM 1939 CA SER A 132 -1.782 5.216 0.342 1.00 64.12 C ATOM 1940 C SER A 132 -0.522 5.971 0.758 1.00 73.34 C ATOM 1941 O SER A 132 -0.591 6.896 1.572 1.00 32.32 O ATOM 1942 CB SER A 132 -2.429 5.848 -0.899 1.00 53.11 C ATOM 1943 OG SER A 132 -1.708 5.543 -2.076 1.00 25.15 O ATOM 0 H SER A 132 -2.802 6.133 1.913 1.00 52.43 H new ATOM 0 HA SER A 132 -1.500 4.191 0.100 1.00 64.12 H new ATOM 0 HB2 SER A 132 -3.454 5.491 -0.997 1.00 53.11 H new ATOM 0 HB3 SER A 132 -2.479 6.929 -0.773 1.00 53.11 H new ATOM 0 HG SER A 132 -1.104 4.791 -1.904 1.00 25.15 H new ATOM 1949 N VAL A 133 0.629 5.566 0.234 1.00 51.33 N ATOM 1950 CA VAL A 133 1.881 6.217 0.575 1.00 72.25 C ATOM 1951 C VAL A 133 2.716 6.453 -0.693 1.00 44.11 C ATOM 1952 O VAL A 133 2.804 5.593 -1.576 1.00 31.41 O ATOM 1953 CB VAL A 133 2.665 5.429 1.675 1.00 25.24 C ATOM 1954 CG1 VAL A 133 3.129 4.057 1.210 1.00 12.35 C ATOM 1955 CG2 VAL A 133 3.837 6.235 2.208 1.00 61.20 C ATOM 0 H VAL A 133 0.718 4.793 -0.426 1.00 51.33 H new ATOM 0 HA VAL A 133 1.659 7.191 1.010 1.00 72.25 H new ATOM 0 HB VAL A 133 1.956 5.266 2.486 1.00 25.24 H new ATOM 0 HG11 VAL A 133 3.666 3.561 2.018 1.00 12.35 H new ATOM 0 HG12 VAL A 133 2.264 3.457 0.928 1.00 12.35 H new ATOM 0 HG13 VAL A 133 3.790 4.168 0.350 1.00 12.35 H new ATOM 0 HG21 VAL A 133 4.359 5.657 2.970 1.00 61.20 H new ATOM 0 HG22 VAL A 133 4.523 6.463 1.392 1.00 61.20 H new ATOM 0 HG23 VAL A 133 3.471 7.164 2.644 1.00 61.20 H new ATOM 1965 N THR A 134 3.279 7.651 -0.788 1.00 41.31 N ATOM 1966 CA THR A 134 4.031 8.074 -1.953 1.00 12.11 C ATOM 1967 C THR A 134 5.530 7.822 -1.731 1.00 23.32 C ATOM 1968 O THR A 134 6.161 8.443 -0.874 1.00 11.23 O ATOM 1969 CB THR A 134 3.757 9.569 -2.235 1.00 43.12 C ATOM 1970 OG1 THR A 134 2.357 9.841 -2.067 1.00 54.21 O ATOM 1971 CG2 THR A 134 4.157 9.952 -3.644 1.00 72.14 C ATOM 0 H THR A 134 3.224 8.357 -0.053 1.00 41.31 H new ATOM 0 HA THR A 134 3.714 7.495 -2.820 1.00 12.11 H new ATOM 0 HB THR A 134 4.351 10.153 -1.532 1.00 43.12 H new ATOM 0 HG1 THR A 134 2.184 10.789 -2.244 1.00 54.21 H new ATOM 0 HG21 THR A 134 3.950 11.010 -3.806 1.00 72.14 H new ATOM 0 HG22 THR A 134 5.222 9.765 -3.783 1.00 72.14 H new ATOM 0 HG23 THR A 134 3.588 9.357 -4.358 1.00 72.14 H new ATOM 1979 N ILE A 135 6.077 6.883 -2.499 1.00 50.54 N ATOM 1980 CA ILE A 135 7.444 6.405 -2.298 1.00 64.41 C ATOM 1981 C ILE A 135 8.394 7.115 -3.252 1.00 44.11 C ATOM 1982 O ILE A 135 8.120 7.213 -4.445 1.00 44.01 O ATOM 1983 CB ILE A 135 7.546 4.868 -2.527 1.00 2.33 C ATOM 1984 CG1 ILE A 135 6.414 4.118 -1.797 1.00 2.02 C ATOM 1985 CG2 ILE A 135 8.910 4.328 -2.089 1.00 34.21 C ATOM 1986 CD1 ILE A 135 6.421 4.281 -0.290 1.00 42.23 C ATOM 0 H ILE A 135 5.589 6.434 -3.274 1.00 50.54 H new ATOM 0 HA ILE A 135 7.722 6.624 -1.267 1.00 64.41 H new ATOM 0 HB ILE A 135 7.438 4.694 -3.598 1.00 2.33 H new ATOM 0 HG12 ILE A 135 5.456 4.467 -2.183 1.00 2.02 H new ATOM 0 HG13 ILE A 135 6.486 3.057 -2.035 1.00 2.02 H new ATOM 0 HG21 ILE A 135 8.948 3.253 -2.262 1.00 34.21 H new ATOM 0 HG22 ILE A 135 9.696 4.816 -2.664 1.00 34.21 H new ATOM 0 HG23 ILE A 135 9.058 4.530 -1.028 1.00 34.21 H new ATOM 0 HD11 ILE A 135 5.591 3.720 0.140 1.00 42.23 H new ATOM 0 HD12 ILE A 135 7.361 3.904 0.112 1.00 42.23 H new ATOM 0 HD13 ILE A 135 6.316 5.336 -0.038 1.00 42.23 H new ATOM 1998 N ARG A 136 9.515 7.583 -2.726 1.00 44.04 N ATOM 1999 CA ARG A 136 10.505 8.279 -3.523 1.00 10.44 C ATOM 2000 C ARG A 136 11.677 7.372 -3.853 1.00 41.20 C ATOM 2001 O ARG A 136 12.319 6.811 -2.962 1.00 72.34 O ATOM 2002 CB ARG A 136 11.030 9.517 -2.799 1.00 14.23 C ATOM 2003 CG ARG A 136 10.090 10.702 -2.818 1.00 33.31 C ATOM 2004 CD ARG A 136 10.695 11.885 -2.083 1.00 62.34 C ATOM 2005 NE ARG A 136 9.963 13.134 -2.319 1.00 62.24 N ATOM 2006 CZ ARG A 136 10.295 14.313 -1.774 1.00 70.44 C ATOM 2007 NH1 ARG A 136 11.261 14.390 -0.858 1.00 35.32 N ATOM 2008 NH2 ARG A 136 9.626 15.408 -2.113 1.00 53.31 N ATOM 0 H ARG A 136 9.761 7.490 -1.740 1.00 44.04 H new ATOM 0 HA ARG A 136 10.011 8.584 -4.445 1.00 10.44 H new ATOM 0 HB2 ARG A 136 11.241 9.254 -1.763 1.00 14.23 H new ATOM 0 HB3 ARG A 136 11.976 9.813 -3.252 1.00 14.23 H new ATOM 0 HG2 ARG A 136 9.872 10.982 -3.849 1.00 33.31 H new ATOM 0 HG3 ARG A 136 9.142 10.427 -2.355 1.00 33.31 H new ATOM 0 HD2 ARG A 136 10.710 11.674 -1.014 1.00 62.34 H new ATOM 0 HD3 ARG A 136 11.731 12.011 -2.397 1.00 62.34 H new ATOM 0 HE ARG A 136 9.151 13.104 -2.936 1.00 62.24 H new ATOM 0 HH11 ARG A 136 11.755 13.547 -0.566 1.00 35.32 H new ATOM 0 HH12 ARG A 136 11.506 15.292 -0.450 1.00 35.32 H new ATOM 0 HH21 ARG A 136 8.862 15.351 -2.786 1.00 53.31 H new ATOM 0 HH22 ARG A 136 9.876 16.307 -1.700 1.00 53.31 H new ATOM 2022 N ALA A 137 11.927 7.233 -5.136 1.00 21.00 N ATOM 2023 CA ALA A 137 13.137 6.620 -5.631 1.00 33.11 C ATOM 2024 C ALA A 137 13.908 7.692 -6.367 1.00 0.32 C ATOM 2025 O ALA A 137 13.465 8.176 -7.407 1.00 22.02 O ATOM 2026 CB ALA A 137 12.814 5.448 -6.540 1.00 45.53 C ATOM 0 H ALA A 137 11.291 7.545 -5.870 1.00 21.00 H new ATOM 0 HA ALA A 137 13.734 6.221 -4.811 1.00 33.11 H new ATOM 0 HB1 ALA A 137 13.740 5.002 -6.901 1.00 45.53 H new ATOM 0 HB2 ALA A 137 12.245 4.703 -5.985 1.00 45.53 H new ATOM 0 HB3 ALA A 137 12.225 5.797 -7.388 1.00 45.53 H new ATOM 2032 N LEU A 138 15.028 8.105 -5.813 1.00 15.43 N ATOM 2033 CA LEU A 138 15.726 9.260 -6.340 1.00 55.11 C ATOM 2034 C LEU A 138 17.118 8.952 -6.832 1.00 35.44 C ATOM 2035 O LEU A 138 17.642 7.844 -6.649 1.00 13.11 O ATOM 2036 CB LEU A 138 15.749 10.402 -5.329 1.00 45.13 C ATOM 2037 CG LEU A 138 15.977 10.046 -3.862 1.00 14.05 C ATOM 2038 CD1 LEU A 138 17.443 9.787 -3.536 1.00 34.23 C ATOM 2039 CD2 LEU A 138 15.446 11.180 -3.049 1.00 51.14 C ATOM 0 H LEU A 138 15.471 7.665 -5.007 1.00 15.43 H new ATOM 0 HA LEU A 138 15.156 9.576 -7.214 1.00 55.11 H new ATOM 0 HB2 LEU A 138 16.530 11.101 -5.630 1.00 45.13 H new ATOM 0 HB3 LEU A 138 14.800 10.934 -5.402 1.00 45.13 H new ATOM 0 HG LEU A 138 15.460 9.114 -3.633 1.00 14.05 H new ATOM 0 HD11 LEU A 138 17.542 9.539 -2.479 1.00 34.23 H new ATOM 0 HD12 LEU A 138 17.809 8.956 -4.140 1.00 34.23 H new ATOM 0 HD13 LEU A 138 18.028 10.680 -3.755 1.00 34.23 H new ATOM 0 HD21 LEU A 138 15.589 10.967 -1.990 1.00 51.14 H new ATOM 0 HD22 LEU A 138 15.978 12.095 -3.310 1.00 51.14 H new ATOM 0 HD23 LEU A 138 14.383 11.307 -3.253 1.00 51.14 H new