USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 677 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 94 CYS SG : rot 104:sc= 1.38 USER MOD Set 1.2: A 101 CYS SG : rot 176:sc= 1.99 USER MOD Set 1.3: A 104 THR OG1 : rot 64:sc= 1.35 USER MOD Set 2.1: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 70 ASN : amide:sc= -2.58! C(o=-1.5!,f=-11!) USER MOD Set 3.2: A 72 THR OG1 : rot -72:sc= 1.11 USER MOD Set 4.1: A 61 HIS : no HE2:sc= -1.64 K(o=-1.5,f=-3) USER MOD Set 4.2: A 63 THR OG1 : rot -110:sc= 0.161 USER MOD Set 5.1: A 29 THR OG1 : rot -120:sc= -0.931 USER MOD Set 5.2: A 30 THR OG1 : rot 180:sc= 0.0829 USER MOD Set 6.1: A 11 THR OG1 : rot 180:sc= -0.969 USER MOD Set 6.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.0711 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 3 SER OG : rot 5:sc= 1.13 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -142:sc= -0.0742 (180deg=-0.489) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -34:sc= 0.0842 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.03 K(o=-1,f=-3.3!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 44:sc= 0.431 USER MOD Single : A 33 SER OG : rot -58:sc= 0.871 USER MOD Single : A 34 SER OG : rot 180:sc= -0.606 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 45 THR OG1 : rot 151:sc= -0.327 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 21:sc= 0.871 USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= -0.139 (180deg=-0.192) USER MOD Single : A 66 ASN : amide:sc= -1.98 K(o=-2,f=-3.5) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.6!) USER MOD Single : A 86 SER OG : rot 19:sc= 0.445! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00669) USER MOD Single : A 97 ASN : amide:sc= -0.0715 K(o=-0.071,f=-1.6!) USER MOD Single : A 100 SER OG : rot 34:sc= 0.32 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.179 25.713 27.999 1.00 35.33 N ATOM 2 CA ALA A 1 -15.436 24.278 27.999 1.00 15.12 C ATOM 3 C ALA A 1 -15.574 23.744 26.578 1.00 1.42 C ATOM 4 O ALA A 1 -15.886 24.491 25.650 1.00 25.10 O ATOM 5 CB ALA A 1 -16.687 23.966 28.806 1.00 24.34 C ATOM 0 H1 ALA A 1 -14.202 25.891 28.307 1.00 35.33 H new ATOM 0 H2 ALA A 1 -15.313 26.090 27.039 1.00 35.33 H new ATOM 0 H3 ALA A 1 -15.838 26.184 28.651 1.00 35.33 H new ATOM 0 HA ALA A 1 -14.584 23.782 28.464 1.00 15.12 H new ATOM 0 HB1 ALA A 1 -16.867 22.891 28.797 1.00 24.34 H new ATOM 0 HB2 ALA A 1 -16.551 24.303 29.834 1.00 24.34 H new ATOM 0 HB3 ALA A 1 -17.541 24.480 28.366 1.00 24.34 H new ATOM 11 N THR A 2 -15.338 22.446 26.412 1.00 63.21 N ATOM 12 CA THR A 2 -15.434 21.813 25.102 1.00 61.42 C ATOM 13 C THR A 2 -16.732 21.025 24.967 1.00 12.20 C ATOM 14 O THR A 2 -17.480 20.872 25.932 1.00 64.03 O ATOM 15 CB THR A 2 -14.245 20.869 24.847 1.00 34.12 C ATOM 16 OG1 THR A 2 -13.635 20.501 26.089 1.00 71.34 O ATOM 17 CG2 THR A 2 -13.212 21.530 23.946 1.00 22.24 C ATOM 0 H THR A 2 -15.079 21.813 27.168 1.00 63.21 H new ATOM 0 HA THR A 2 -15.419 22.613 24.362 1.00 61.42 H new ATOM 0 HB THR A 2 -14.621 19.975 24.349 1.00 34.12 H new ATOM 0 HG1 THR A 2 -12.881 19.899 25.917 1.00 71.34 H new ATOM 0 HG21 THR A 2 -12.381 20.844 23.780 1.00 22.24 H new ATOM 0 HG22 THR A 2 -13.671 21.782 22.990 1.00 22.24 H new ATOM 0 HG23 THR A 2 -12.843 22.439 24.422 1.00 22.24 H new ATOM 25 N SER A 3 -16.993 20.527 23.763 1.00 11.44 N ATOM 26 CA SER A 3 -18.203 19.757 23.500 1.00 31.04 C ATOM 27 C SER A 3 -18.088 18.995 22.183 1.00 54.40 C ATOM 28 O SER A 3 -18.362 19.538 21.113 1.00 14.25 O ATOM 29 CB SER A 3 -19.422 20.681 23.462 1.00 71.20 C ATOM 30 OG SER A 3 -19.793 21.089 24.767 1.00 43.43 O ATOM 0 H SER A 3 -16.383 20.643 22.954 1.00 11.44 H new ATOM 0 HA SER A 3 -18.327 19.035 24.307 1.00 31.04 H new ATOM 0 HB2 SER A 3 -19.199 21.557 22.853 1.00 71.20 H new ATOM 0 HB3 SER A 3 -20.257 20.167 22.987 1.00 71.20 H new ATOM 0 HG SER A 3 -19.136 20.756 25.413 1.00 43.43 H new ATOM 36 N ALA A 4 -17.678 17.734 22.271 1.00 1.45 N ATOM 37 CA ALA A 4 -17.527 16.896 21.087 1.00 44.40 C ATOM 38 C ALA A 4 -17.146 15.470 21.469 1.00 32.41 C ATOM 39 O ALA A 4 -16.271 15.254 22.308 1.00 15.14 O ATOM 40 CB ALA A 4 -16.487 17.489 20.148 1.00 71.45 C ATOM 0 H ALA A 4 -17.445 17.270 23.149 1.00 1.45 H new ATOM 0 HA ALA A 4 -18.487 16.862 20.572 1.00 44.40 H new ATOM 0 HB1 ALA A 4 -16.385 16.852 19.269 1.00 71.45 H new ATOM 0 HB2 ALA A 4 -16.802 18.486 19.840 1.00 71.45 H new ATOM 0 HB3 ALA A 4 -15.528 17.554 20.662 1.00 71.45 H new ATOM 46 N THR A 5 -17.809 14.499 20.849 1.00 74.53 N ATOM 47 CA THR A 5 -17.540 13.092 21.126 1.00 44.12 C ATOM 48 C THR A 5 -17.699 12.245 19.869 1.00 2.12 C ATOM 49 O THR A 5 -18.207 12.715 18.851 1.00 71.35 O ATOM 50 CB THR A 5 -18.477 12.547 22.220 1.00 60.14 C ATOM 51 OG1 THR A 5 -19.798 12.377 21.695 1.00 21.03 O ATOM 52 CG2 THR A 5 -18.519 13.487 23.416 1.00 43.02 C ATOM 0 H THR A 5 -18.536 14.660 20.152 1.00 74.53 H new ATOM 0 HA THR A 5 -16.509 13.029 21.476 1.00 44.12 H new ATOM 0 HB THR A 5 -18.090 11.583 22.549 1.00 60.14 H new ATOM 0 HG1 THR A 5 -20.387 12.029 22.397 1.00 21.03 H new ATOM 0 HG21 THR A 5 -19.187 13.080 24.175 1.00 43.02 H new ATOM 0 HG22 THR A 5 -17.517 13.591 23.833 1.00 43.02 H new ATOM 0 HG23 THR A 5 -18.883 14.464 23.098 1.00 43.02 H new ATOM 60 N ALA A 6 -17.260 10.993 19.947 1.00 25.55 N ATOM 61 CA ALA A 6 -17.356 10.079 18.815 1.00 32.11 C ATOM 62 C ALA A 6 -17.869 8.712 19.256 1.00 72.22 C ATOM 63 O ALA A 6 -17.288 8.072 20.134 1.00 23.34 O ATOM 64 CB ALA A 6 -16.004 9.942 18.131 1.00 73.33 C ATOM 0 H ALA A 6 -16.835 10.589 20.781 1.00 25.55 H new ATOM 0 HA ALA A 6 -18.070 10.494 18.104 1.00 32.11 H new ATOM 0 HB1 ALA A 6 -16.091 9.257 17.288 1.00 73.33 H new ATOM 0 HB2 ALA A 6 -15.677 10.918 17.773 1.00 73.33 H new ATOM 0 HB3 ALA A 6 -15.275 9.553 18.841 1.00 73.33 H new ATOM 70 N THR A 7 -18.962 8.269 18.642 1.00 14.44 N ATOM 71 CA THR A 7 -19.553 6.978 18.971 1.00 20.50 C ATOM 72 C THR A 7 -19.139 5.910 17.966 1.00 71.23 C ATOM 73 O THR A 7 -19.079 6.165 16.763 1.00 51.10 O ATOM 74 CB THR A 7 -21.091 7.060 19.013 1.00 1.51 C ATOM 75 OG1 THR A 7 -21.632 5.849 19.554 1.00 52.11 O ATOM 76 CG2 THR A 7 -21.658 7.297 17.622 1.00 12.32 C ATOM 0 H THR A 7 -19.456 8.786 17.914 1.00 14.44 H new ATOM 0 HA THR A 7 -19.183 6.704 19.959 1.00 20.50 H new ATOM 0 HB THR A 7 -21.371 7.899 19.650 1.00 1.51 H new ATOM 0 HG1 THR A 7 -22.610 5.910 19.579 1.00 52.11 H new ATOM 0 HG21 THR A 7 -22.745 7.351 17.677 1.00 12.32 H new ATOM 0 HG22 THR A 7 -21.267 8.234 17.225 1.00 12.32 H new ATOM 0 HG23 THR A 7 -21.368 6.476 16.966 1.00 12.32 H new ATOM 84 N PHE A 8 -18.855 4.712 18.466 1.00 41.33 N ATOM 85 CA PHE A 8 -18.446 3.605 17.610 1.00 34.42 C ATOM 86 C PHE A 8 -19.661 2.841 17.090 1.00 74.41 C ATOM 87 O PHE A 8 -20.656 2.681 17.797 1.00 74.31 O ATOM 88 CB PHE A 8 -17.523 2.655 18.376 1.00 30.03 C ATOM 89 CG PHE A 8 -17.214 1.387 17.631 1.00 24.14 C ATOM 90 CD1 PHE A 8 -16.619 1.430 16.381 1.00 53.41 C ATOM 91 CD2 PHE A 8 -17.520 0.152 18.181 1.00 63.04 C ATOM 92 CE1 PHE A 8 -16.335 0.266 15.693 1.00 33.35 C ATOM 93 CE2 PHE A 8 -17.238 -1.015 17.498 1.00 12.11 C ATOM 94 CZ PHE A 8 -16.644 -0.958 16.253 1.00 23.34 C ATOM 0 H PHE A 8 -18.901 4.483 19.459 1.00 41.33 H new ATOM 0 HA PHE A 8 -17.906 4.018 16.758 1.00 34.42 H new ATOM 0 HB2 PHE A 8 -16.590 3.171 18.601 1.00 30.03 H new ATOM 0 HB3 PHE A 8 -17.986 2.403 19.330 1.00 30.03 H new ATOM 0 HD1 PHE A 8 -16.374 2.385 15.939 1.00 53.41 H new ATOM 0 HD2 PHE A 8 -17.984 0.102 19.155 1.00 63.04 H new ATOM 0 HE1 PHE A 8 -15.872 0.313 14.718 1.00 33.35 H new ATOM 0 HE2 PHE A 8 -17.482 -1.971 17.937 1.00 12.11 H new ATOM 0 HZ PHE A 8 -16.421 -1.869 15.718 1.00 23.34 H new ATOM 104 N ALA A 9 -19.572 2.373 15.850 1.00 60.24 N ATOM 105 CA ALA A 9 -20.663 1.626 15.235 1.00 53.23 C ATOM 106 C ALA A 9 -20.129 0.515 14.338 1.00 3.13 C ATOM 107 O ALA A 9 -19.008 0.594 13.834 1.00 42.42 O ATOM 108 CB ALA A 9 -21.563 2.563 14.443 1.00 34.15 C ATOM 0 H ALA A 9 -18.756 2.498 15.251 1.00 60.24 H new ATOM 0 HA ALA A 9 -21.249 1.164 16.030 1.00 53.23 H new ATOM 0 HB1 ALA A 9 -22.373 1.992 13.989 1.00 34.15 H new ATOM 0 HB2 ALA A 9 -21.980 3.317 15.110 1.00 34.15 H new ATOM 0 HB3 ALA A 9 -20.981 3.052 13.661 1.00 34.15 H new ATOM 114 N LYS A 10 -20.938 -0.520 14.141 1.00 12.41 N ATOM 115 CA LYS A 10 -20.549 -1.649 13.303 1.00 42.23 C ATOM 116 C LYS A 10 -21.161 -1.529 11.911 1.00 32.23 C ATOM 117 O LYS A 10 -22.287 -1.054 11.755 1.00 33.12 O ATOM 118 CB LYS A 10 -20.981 -2.964 13.952 1.00 32.55 C ATOM 119 CG LYS A 10 -19.836 -3.737 14.585 1.00 5.23 C ATOM 120 CD LYS A 10 -18.915 -4.330 13.532 1.00 12.20 C ATOM 121 CE LYS A 10 -19.626 -5.389 12.703 1.00 14.31 C ATOM 122 NZ LYS A 10 -20.253 -6.435 13.557 1.00 73.32 N ATOM 0 H LYS A 10 -21.869 -0.601 14.551 1.00 12.41 H new ATOM 0 HA LYS A 10 -19.464 -1.640 13.204 1.00 42.23 H new ATOM 0 HB2 LYS A 10 -21.731 -2.754 14.714 1.00 32.55 H new ATOM 0 HB3 LYS A 10 -21.459 -3.591 13.199 1.00 32.55 H new ATOM 0 HG2 LYS A 10 -19.266 -3.076 15.238 1.00 5.23 H new ATOM 0 HG3 LYS A 10 -20.236 -4.535 15.211 1.00 5.23 H new ATOM 0 HD2 LYS A 10 -18.551 -3.538 12.878 1.00 12.20 H new ATOM 0 HD3 LYS A 10 -18.043 -4.770 14.016 1.00 12.20 H new ATOM 0 HE2 LYS A 10 -20.392 -4.915 12.089 1.00 14.31 H new ATOM 0 HE3 LYS A 10 -18.914 -5.855 12.022 1.00 14.31 H new ATOM 0 HZ1 LYS A 10 -20.149 -7.364 13.101 1.00 73.32 H new ATOM 0 HZ2 LYS A 10 -19.786 -6.451 14.486 1.00 73.32 H new ATOM 0 HZ3 LYS A 10 -21.263 -6.222 13.681 1.00 73.32 H new ATOM 136 N THR A 11 -20.414 -1.965 10.902 1.00 20.25 N ATOM 137 CA THR A 11 -20.884 -1.908 9.523 1.00 53.40 C ATOM 138 C THR A 11 -21.384 -3.270 9.055 1.00 32.51 C ATOM 139 O THR A 11 -22.544 -3.417 8.671 1.00 41.13 O ATOM 140 CB THR A 11 -19.773 -1.428 8.571 1.00 1.12 C ATOM 141 OG1 THR A 11 -18.826 -0.627 9.287 1.00 30.03 O ATOM 142 CG2 THR A 11 -20.357 -0.623 7.420 1.00 63.04 C ATOM 0 H THR A 11 -19.481 -2.362 11.014 1.00 20.25 H new ATOM 0 HA THR A 11 -21.707 -1.194 9.499 1.00 53.40 H new ATOM 0 HB THR A 11 -19.271 -2.305 8.163 1.00 1.12 H new ATOM 0 HG1 THR A 11 -18.122 -0.327 8.675 1.00 30.03 H new ATOM 0 HG21 THR A 11 -19.553 -0.295 6.761 1.00 63.04 H new ATOM 0 HG22 THR A 11 -21.055 -1.244 6.859 1.00 63.04 H new ATOM 0 HG23 THR A 11 -20.881 0.247 7.814 1.00 63.04 H new ATOM 150 N SER A 12 -20.503 -4.264 9.093 1.00 30.31 N ATOM 151 CA SER A 12 -20.855 -5.614 8.670 1.00 54.10 C ATOM 152 C SER A 12 -19.664 -6.558 8.815 1.00 44.03 C ATOM 153 O SER A 12 -18.512 -6.144 8.689 1.00 1.11 O ATOM 154 CB SER A 12 -21.340 -5.607 7.219 1.00 14.33 C ATOM 155 OG SER A 12 -21.228 -6.894 6.637 1.00 11.30 O ATOM 0 H SER A 12 -19.540 -4.160 9.412 1.00 30.31 H new ATOM 0 HA SER A 12 -21.660 -5.971 9.313 1.00 54.10 H new ATOM 0 HB2 SER A 12 -22.378 -5.276 7.181 1.00 14.33 H new ATOM 0 HB3 SER A 12 -20.756 -4.891 6.641 1.00 14.33 H new ATOM 0 HG SER A 12 -21.546 -6.863 5.711 1.00 11.30 H new ATOM 161 N ASP A 13 -19.952 -7.826 9.083 1.00 13.43 N ATOM 162 CA ASP A 13 -18.906 -8.830 9.244 1.00 71.01 C ATOM 163 C ASP A 13 -19.027 -9.917 8.181 1.00 53.43 C ATOM 164 O ASP A 13 -20.086 -10.521 8.014 1.00 43.52 O ATOM 165 CB ASP A 13 -18.979 -9.453 10.639 1.00 65.51 C ATOM 166 CG ASP A 13 -20.184 -10.358 10.806 1.00 62.43 C ATOM 167 OD1 ASP A 13 -21.312 -9.905 10.519 1.00 71.33 O ATOM 168 OD2 ASP A 13 -19.999 -11.521 11.223 1.00 54.22 O ATOM 0 H ASP A 13 -20.901 -8.184 9.193 1.00 13.43 H new ATOM 0 HA ASP A 13 -17.941 -8.337 9.124 1.00 71.01 H new ATOM 0 HB2 ASP A 13 -18.070 -10.025 10.827 1.00 65.51 H new ATOM 0 HB3 ASP A 13 -19.017 -8.660 11.386 1.00 65.51 H new ATOM 173 N TRP A 14 -17.935 -10.159 7.465 1.00 35.15 N ATOM 174 CA TRP A 14 -17.919 -11.173 6.416 1.00 34.41 C ATOM 175 C TRP A 14 -17.029 -12.348 6.808 1.00 52.34 C ATOM 176 O TRP A 14 -15.846 -12.383 6.469 1.00 62.50 O ATOM 177 CB TRP A 14 -17.433 -10.566 5.099 1.00 31.22 C ATOM 178 CG TRP A 14 -16.181 -9.755 5.246 1.00 3.34 C ATOM 179 CD1 TRP A 14 -14.908 -10.153 4.955 1.00 35.42 C ATOM 180 CD2 TRP A 14 -16.085 -8.407 5.718 1.00 14.31 C ATOM 181 NE1 TRP A 14 -14.025 -9.134 5.220 1.00 53.42 N ATOM 182 CE2 TRP A 14 -14.722 -8.051 5.688 1.00 33.23 C ATOM 183 CE3 TRP A 14 -17.016 -7.464 6.161 1.00 21.54 C ATOM 184 CZ2 TRP A 14 -14.271 -6.796 6.086 1.00 1.33 C ATOM 185 CZ3 TRP A 14 -16.568 -6.219 6.557 1.00 2.32 C ATOM 186 CH2 TRP A 14 -15.206 -5.893 6.515 1.00 73.45 C ATOM 0 H TRP A 14 -17.050 -9.668 7.591 1.00 35.15 H new ATOM 0 HA TRP A 14 -18.937 -11.541 6.285 1.00 34.41 H new ATOM 0 HB2 TRP A 14 -17.257 -11.367 4.381 1.00 31.22 H new ATOM 0 HB3 TRP A 14 -18.220 -9.935 4.686 1.00 31.22 H new ATOM 0 HD1 TRP A 14 -14.635 -11.126 4.573 1.00 35.42 H new ATOM 0 HE1 TRP A 14 -13.014 -9.177 5.089 1.00 53.42 H new ATOM 0 HE3 TRP A 14 -18.068 -7.705 6.193 1.00 21.54 H new ATOM 0 HZ2 TRP A 14 -13.221 -6.544 6.057 1.00 1.33 H new ATOM 0 HZ3 TRP A 14 -17.279 -5.485 6.905 1.00 2.32 H new ATOM 0 HH2 TRP A 14 -14.887 -4.909 6.827 1.00 73.45 H new ATOM 197 N GLY A 15 -17.605 -13.309 7.525 1.00 13.11 N ATOM 198 CA GLY A 15 -16.848 -14.471 7.950 1.00 74.21 C ATOM 199 C GLY A 15 -15.903 -14.161 9.094 1.00 73.32 C ATOM 200 O GLY A 15 -16.221 -14.411 10.258 1.00 14.13 O ATOM 0 H GLY A 15 -18.582 -13.303 7.819 1.00 13.11 H new ATOM 0 HA2 GLY A 15 -17.537 -15.258 8.256 1.00 74.21 H new ATOM 0 HA3 GLY A 15 -16.277 -14.857 7.106 1.00 74.21 H new ATOM 204 N THR A 16 -14.737 -13.616 8.765 1.00 52.34 N ATOM 205 CA THR A 16 -13.741 -13.274 9.773 1.00 62.42 C ATOM 206 C THR A 16 -13.474 -11.773 9.795 1.00 70.41 C ATOM 207 O THR A 16 -12.927 -11.244 10.761 1.00 72.11 O ATOM 208 CB THR A 16 -12.414 -14.016 9.526 1.00 54.04 C ATOM 209 OG1 THR A 16 -11.528 -13.817 10.635 1.00 2.53 O ATOM 210 CG2 THR A 16 -11.751 -13.529 8.247 1.00 3.45 C ATOM 0 H THR A 16 -14.458 -13.402 7.807 1.00 52.34 H new ATOM 0 HA THR A 16 -14.147 -13.582 10.736 1.00 62.42 H new ATOM 0 HB THR A 16 -12.632 -15.079 9.421 1.00 54.04 H new ATOM 0 HG1 THR A 16 -11.667 -12.922 11.008 1.00 2.53 H new ATOM 0 HG21 THR A 16 -10.816 -14.068 8.094 1.00 3.45 H new ATOM 0 HG22 THR A 16 -12.415 -13.708 7.402 1.00 3.45 H new ATOM 0 HG23 THR A 16 -11.546 -12.461 8.327 1.00 3.45 H new ATOM 218 N GLY A 17 -13.866 -11.091 8.723 1.00 2.43 N ATOM 219 CA GLY A 17 -13.660 -9.657 8.641 1.00 4.51 C ATOM 220 C GLY A 17 -14.786 -8.872 9.285 1.00 5.12 C ATOM 221 O GLY A 17 -15.845 -9.424 9.584 1.00 23.21 O ATOM 0 H GLY A 17 -14.322 -11.506 7.910 1.00 2.43 H new ATOM 0 HA2 GLY A 17 -12.718 -9.400 9.126 1.00 4.51 H new ATOM 0 HA3 GLY A 17 -13.570 -9.365 7.595 1.00 4.51 H new ATOM 225 N PHE A 18 -14.557 -7.581 9.502 1.00 40.30 N ATOM 226 CA PHE A 18 -15.560 -6.719 10.118 1.00 32.34 C ATOM 227 C PHE A 18 -15.446 -5.291 9.593 1.00 32.34 C ATOM 228 O PHE A 18 -14.395 -4.880 9.103 1.00 75.22 O ATOM 229 CB PHE A 18 -15.406 -6.730 11.640 1.00 53.14 C ATOM 230 CG PHE A 18 -14.270 -5.878 12.134 1.00 2.24 C ATOM 231 CD1 PHE A 18 -14.471 -4.541 12.436 1.00 12.24 C ATOM 232 CD2 PHE A 18 -13.003 -6.415 12.294 1.00 23.44 C ATOM 233 CE1 PHE A 18 -13.428 -3.755 12.890 1.00 21.13 C ATOM 234 CE2 PHE A 18 -11.957 -5.635 12.748 1.00 64.13 C ATOM 235 CZ PHE A 18 -12.170 -4.303 13.045 1.00 54.23 C ATOM 0 H PHE A 18 -13.686 -7.108 9.261 1.00 40.30 H new ATOM 0 HA PHE A 18 -16.545 -7.105 9.857 1.00 32.34 H new ATOM 0 HB2 PHE A 18 -16.334 -6.383 12.094 1.00 53.14 H new ATOM 0 HB3 PHE A 18 -15.252 -7.756 11.974 1.00 53.14 H new ATOM 0 HD1 PHE A 18 -15.453 -4.108 12.316 1.00 12.24 H new ATOM 0 HD2 PHE A 18 -12.831 -7.455 12.061 1.00 23.44 H new ATOM 0 HE1 PHE A 18 -13.597 -2.714 13.123 1.00 21.13 H new ATOM 0 HE2 PHE A 18 -10.974 -6.066 12.870 1.00 64.13 H new ATOM 0 HZ PHE A 18 -11.353 -3.691 13.398 1.00 54.23 H new ATOM 245 N GLY A 19 -16.537 -4.539 9.699 1.00 21.44 N ATOM 246 CA GLY A 19 -16.541 -3.166 9.231 1.00 54.43 C ATOM 247 C GLY A 19 -16.740 -2.170 10.355 1.00 73.54 C ATOM 248 O GLY A 19 -17.652 -2.315 11.168 1.00 32.44 O ATOM 0 H GLY A 19 -17.419 -4.857 10.101 1.00 21.44 H new ATOM 0 HA2 GLY A 19 -15.598 -2.955 8.726 1.00 54.43 H new ATOM 0 HA3 GLY A 19 -17.333 -3.039 8.493 1.00 54.43 H new ATOM 252 N GLY A 20 -15.883 -1.154 10.405 1.00 0.23 N ATOM 253 CA GLY A 20 -15.986 -0.147 11.444 1.00 12.52 C ATOM 254 C GLY A 20 -16.651 1.124 10.955 1.00 43.12 C ATOM 255 O GLY A 20 -16.490 1.512 9.798 1.00 41.22 O ATOM 0 H GLY A 20 -15.119 -1.011 9.744 1.00 0.23 H new ATOM 0 HA2 GLY A 20 -16.554 -0.551 12.282 1.00 12.52 H new ATOM 0 HA3 GLY A 20 -14.989 0.088 11.818 1.00 12.52 H new ATOM 259 N SER A 21 -17.403 1.774 11.838 1.00 25.23 N ATOM 260 CA SER A 21 -18.101 3.006 11.488 1.00 23.22 C ATOM 261 C SER A 21 -17.997 4.028 12.616 1.00 53.31 C ATOM 262 O SER A 21 -18.783 4.006 13.562 1.00 61.44 O ATOM 263 CB SER A 21 -19.573 2.714 11.183 1.00 53.41 C ATOM 264 OG SER A 21 -19.825 2.770 9.789 1.00 72.22 O ATOM 0 H SER A 21 -17.544 1.468 12.801 1.00 25.23 H new ATOM 0 HA SER A 21 -17.628 3.423 10.599 1.00 23.22 H new ATOM 0 HB2 SER A 21 -19.838 1.728 11.565 1.00 53.41 H new ATOM 0 HB3 SER A 21 -20.205 3.436 11.700 1.00 53.41 H new ATOM 0 HG SER A 21 -20.771 2.578 9.620 1.00 72.22 H new ATOM 270 N TRP A 22 -17.021 4.921 12.506 1.00 41.02 N ATOM 271 CA TRP A 22 -16.812 5.953 13.516 1.00 63.04 C ATOM 272 C TRP A 22 -17.614 7.207 13.187 1.00 12.43 C ATOM 273 O TRP A 22 -17.499 7.761 12.093 1.00 2.41 O ATOM 274 CB TRP A 22 -15.326 6.297 13.624 1.00 71.51 C ATOM 275 CG TRP A 22 -14.498 5.182 14.189 1.00 42.11 C ATOM 276 CD1 TRP A 22 -13.710 4.312 13.491 1.00 21.43 C ATOM 277 CD2 TRP A 22 -14.378 4.817 15.568 1.00 70.34 C ATOM 278 NE1 TRP A 22 -13.108 3.428 14.354 1.00 34.04 N ATOM 279 CE2 TRP A 22 -13.501 3.718 15.634 1.00 34.33 C ATOM 280 CE3 TRP A 22 -14.925 5.314 16.755 1.00 51.21 C ATOM 281 CZ2 TRP A 22 -13.160 3.108 16.839 1.00 0.44 C ATOM 282 CZ3 TRP A 22 -14.586 4.707 17.950 1.00 42.50 C ATOM 283 CH2 TRP A 22 -13.711 3.614 17.984 1.00 50.32 C ATOM 0 H TRP A 22 -16.362 4.952 11.728 1.00 41.02 H new ATOM 0 HA TRP A 22 -17.158 5.564 14.474 1.00 63.04 H new ATOM 0 HB2 TRP A 22 -14.948 6.556 12.635 1.00 71.51 H new ATOM 0 HB3 TRP A 22 -15.210 7.181 14.252 1.00 71.51 H new ATOM 0 HD1 TRP A 22 -13.579 4.318 12.419 1.00 21.43 H new ATOM 0 HE1 TRP A 22 -12.472 2.678 14.085 1.00 34.04 H new ATOM 0 HE3 TRP A 22 -15.600 6.157 16.739 1.00 51.21 H new ATOM 0 HZ2 TRP A 22 -12.485 2.266 16.868 1.00 0.44 H new ATOM 0 HZ3 TRP A 22 -15.003 5.082 18.873 1.00 42.50 H new ATOM 0 HH2 TRP A 22 -13.466 3.162 18.934 1.00 50.32 H new ATOM 294 N THR A 23 -18.427 7.652 14.140 1.00 12.40 N ATOM 295 CA THR A 23 -19.248 8.841 13.950 1.00 22.01 C ATOM 296 C THR A 23 -18.766 9.989 14.830 1.00 5.44 C ATOM 297 O THR A 23 -19.040 10.023 16.029 1.00 74.04 O ATOM 298 CB THR A 23 -20.730 8.556 14.264 1.00 73.44 C ATOM 299 OG1 THR A 23 -21.229 7.539 13.390 1.00 71.13 O ATOM 300 CG2 THR A 23 -21.567 9.818 14.114 1.00 12.23 C ATOM 0 H THR A 23 -18.534 7.207 15.051 1.00 12.40 H new ATOM 0 HA THR A 23 -19.154 9.126 12.902 1.00 22.01 H new ATOM 0 HB THR A 23 -20.801 8.213 15.296 1.00 73.44 H new ATOM 0 HG1 THR A 23 -22.170 7.363 13.597 1.00 71.13 H new ATOM 0 HG21 THR A 23 -22.609 9.593 14.341 1.00 12.23 H new ATOM 0 HG22 THR A 23 -21.203 10.580 14.803 1.00 12.23 H new ATOM 0 HG23 THR A 23 -21.490 10.186 13.091 1.00 12.23 H new ATOM 308 N VAL A 24 -18.046 10.929 14.225 1.00 52.11 N ATOM 309 CA VAL A 24 -17.526 12.080 14.953 1.00 71.32 C ATOM 310 C VAL A 24 -18.474 13.269 14.849 1.00 61.14 C ATOM 311 O VAL A 24 -18.923 13.627 13.760 1.00 53.22 O ATOM 312 CB VAL A 24 -16.139 12.496 14.429 1.00 10.41 C ATOM 313 CG1 VAL A 24 -15.521 13.551 15.333 1.00 44.23 C ATOM 314 CG2 VAL A 24 -15.229 11.284 14.311 1.00 12.32 C ATOM 0 H VAL A 24 -17.810 10.916 13.233 1.00 52.11 H new ATOM 0 HA VAL A 24 -17.436 11.780 15.997 1.00 71.32 H new ATOM 0 HB VAL A 24 -16.260 12.929 13.436 1.00 10.41 H new ATOM 0 HG11 VAL A 24 -14.541 13.832 14.947 1.00 44.23 H new ATOM 0 HG12 VAL A 24 -16.166 14.429 15.361 1.00 44.23 H new ATOM 0 HG13 VAL A 24 -15.412 13.149 16.340 1.00 44.23 H new ATOM 0 HG21 VAL A 24 -14.253 11.597 13.939 1.00 12.32 H new ATOM 0 HG22 VAL A 24 -15.113 10.820 15.290 1.00 12.32 H new ATOM 0 HG23 VAL A 24 -15.668 10.566 13.619 1.00 12.32 H new ATOM 324 N LYS A 25 -18.776 13.880 15.991 1.00 32.44 N ATOM 325 CA LYS A 25 -19.670 15.031 16.031 1.00 4.31 C ATOM 326 C LYS A 25 -19.168 16.075 17.022 1.00 63.24 C ATOM 327 O LYS A 25 -19.070 15.812 18.220 1.00 24.22 O ATOM 328 CB LYS A 25 -21.086 14.591 16.411 1.00 13.24 C ATOM 329 CG LYS A 25 -22.057 15.746 16.580 1.00 4.11 C ATOM 330 CD LYS A 25 -23.305 15.555 15.733 1.00 74.33 C ATOM 331 CE LYS A 25 -24.548 16.053 16.453 1.00 32.53 C ATOM 332 NZ LYS A 25 -25.197 17.178 15.726 1.00 51.12 N ATOM 0 H LYS A 25 -18.414 13.596 16.901 1.00 32.44 H new ATOM 0 HA LYS A 25 -19.690 15.478 15.037 1.00 4.31 H new ATOM 0 HB2 LYS A 25 -21.466 13.917 15.643 1.00 13.24 H new ATOM 0 HB3 LYS A 25 -21.044 14.024 17.341 1.00 13.24 H new ATOM 0 HG2 LYS A 25 -22.339 15.835 17.629 1.00 4.11 H new ATOM 0 HG3 LYS A 25 -21.566 16.679 16.301 1.00 4.11 H new ATOM 0 HD2 LYS A 25 -23.191 16.089 14.790 1.00 74.33 H new ATOM 0 HD3 LYS A 25 -23.423 14.499 15.489 1.00 74.33 H new ATOM 0 HE2 LYS A 25 -25.258 15.233 16.561 1.00 32.53 H new ATOM 0 HE3 LYS A 25 -24.280 16.377 17.459 1.00 32.53 H new ATOM 0 HZ1 LYS A 25 -26.040 17.489 16.249 1.00 51.12 H new ATOM 0 HZ2 LYS A 25 -24.528 17.970 15.645 1.00 51.12 H new ATOM 0 HZ3 LYS A 25 -25.476 16.862 14.775 1.00 51.12 H new ATOM 346 N ASN A 26 -18.853 17.263 16.515 1.00 72.21 N ATOM 347 CA ASN A 26 -18.362 18.348 17.357 1.00 30.03 C ATOM 348 C ASN A 26 -19.292 19.555 17.287 1.00 3.43 C ATOM 349 O ASN A 26 -19.588 20.062 16.204 1.00 4.20 O ATOM 350 CB ASN A 26 -16.949 18.752 16.931 1.00 42.24 C ATOM 351 CG ASN A 26 -16.121 17.567 16.475 1.00 51.42 C ATOM 352 OD1 ASN A 26 -15.362 16.989 17.254 1.00 23.24 O ATOM 353 ND2 ASN A 26 -16.263 17.200 15.207 1.00 31.54 N ATOM 0 H ASN A 26 -18.929 17.498 15.525 1.00 72.21 H new ATOM 0 HA ASN A 26 -18.336 17.992 18.387 1.00 30.03 H new ATOM 0 HB2 ASN A 26 -17.011 19.481 16.123 1.00 42.24 H new ATOM 0 HB3 ASN A 26 -16.447 19.243 17.765 1.00 42.24 H new ATOM 0 HD21 ASN A 26 -15.731 16.410 14.842 1.00 31.54 H new ATOM 0 HD22 ASN A 26 -16.904 17.708 14.598 1.00 31.54 H new ATOM 360 N THR A 27 -19.749 20.012 18.447 1.00 62.41 N ATOM 361 CA THR A 27 -20.646 21.159 18.518 1.00 22.10 C ATOM 362 C THR A 27 -20.727 21.707 19.938 1.00 31.33 C ATOM 363 O THR A 27 -20.780 20.949 20.905 1.00 33.45 O ATOM 364 CB THR A 27 -22.064 20.794 18.039 1.00 23.24 C ATOM 365 OG1 THR A 27 -22.920 21.939 18.123 1.00 75.03 O ATOM 366 CG2 THR A 27 -22.641 19.660 18.873 1.00 2.32 C ATOM 0 H THR A 27 -19.513 19.605 19.352 1.00 62.41 H new ATOM 0 HA THR A 27 -20.234 21.924 17.860 1.00 22.10 H new ATOM 0 HB THR A 27 -22.000 20.465 17.002 1.00 23.24 H new ATOM 0 HG1 THR A 27 -23.819 21.699 17.815 1.00 75.03 H new ATOM 0 HG21 THR A 27 -23.643 19.419 18.517 1.00 2.32 H new ATOM 0 HG22 THR A 27 -22.003 18.781 18.783 1.00 2.32 H new ATOM 0 HG23 THR A 27 -22.691 19.966 19.918 1.00 2.32 H new ATOM 374 N GLY A 28 -20.737 23.031 20.056 1.00 71.35 N ATOM 375 CA GLY A 28 -20.813 23.658 21.364 1.00 51.40 C ATOM 376 C GLY A 28 -19.452 24.075 21.886 1.00 3.34 C ATOM 377 O GLY A 28 -19.315 24.455 23.050 1.00 12.14 O ATOM 0 H GLY A 28 -20.694 23.681 19.271 1.00 71.35 H new ATOM 0 HA2 GLY A 28 -21.461 24.533 21.307 1.00 51.40 H new ATOM 0 HA3 GLY A 28 -21.273 22.966 22.069 1.00 51.40 H new ATOM 381 N THR A 29 -18.442 24.004 21.024 1.00 63.24 N ATOM 382 CA THR A 29 -17.085 24.375 21.405 1.00 73.33 C ATOM 383 C THR A 29 -16.465 25.321 20.384 1.00 22.04 C ATOM 384 O THR A 29 -17.057 25.599 19.341 1.00 0.45 O ATOM 385 CB THR A 29 -16.185 23.133 21.552 1.00 54.35 C ATOM 386 OG1 THR A 29 -14.932 23.505 22.138 1.00 14.11 O ATOM 387 CG2 THR A 29 -15.944 22.476 20.201 1.00 41.13 C ATOM 0 H THR A 29 -18.539 23.693 20.057 1.00 63.24 H new ATOM 0 HA THR A 29 -17.154 24.881 22.368 1.00 73.33 H new ATOM 0 HB THR A 29 -16.692 22.418 22.200 1.00 54.35 H new ATOM 0 HG1 THR A 29 -14.203 23.281 21.522 1.00 14.11 H new ATOM 0 HG21 THR A 29 -15.306 21.602 20.330 1.00 41.13 H new ATOM 0 HG22 THR A 29 -16.897 22.169 19.770 1.00 41.13 H new ATOM 0 HG23 THR A 29 -15.456 23.186 19.533 1.00 41.13 H new ATOM 395 N THR A 30 -15.269 25.813 20.689 1.00 53.32 N ATOM 396 CA THR A 30 -14.568 26.728 19.796 1.00 61.01 C ATOM 397 C THR A 30 -14.495 26.167 18.381 1.00 41.25 C ATOM 398 O THR A 30 -14.743 24.982 18.159 1.00 2.22 O ATOM 399 CB THR A 30 -13.141 27.018 20.297 1.00 13.44 C ATOM 400 OG1 THR A 30 -13.064 26.805 21.710 1.00 75.21 O ATOM 401 CG2 THR A 30 -12.733 28.446 19.970 1.00 42.43 C ATOM 0 H THR A 30 -14.765 25.593 21.548 1.00 53.32 H new ATOM 0 HA THR A 30 -15.137 27.658 19.785 1.00 61.01 H new ATOM 0 HB THR A 30 -12.457 26.337 19.791 1.00 13.44 H new ATOM 0 HG1 THR A 30 -12.153 26.990 22.020 1.00 75.21 H new ATOM 0 HG21 THR A 30 -11.722 28.628 20.333 1.00 42.43 H new ATOM 0 HG22 THR A 30 -12.763 28.595 18.891 1.00 42.43 H new ATOM 0 HG23 THR A 30 -13.422 29.140 20.451 1.00 42.43 H new ATOM 409 N SER A 31 -14.153 27.027 17.426 1.00 32.52 N ATOM 410 CA SER A 31 -14.050 26.617 16.030 1.00 71.15 C ATOM 411 C SER A 31 -12.860 25.684 15.824 1.00 23.20 C ATOM 412 O SER A 31 -11.718 26.130 15.710 1.00 60.43 O ATOM 413 CB SER A 31 -13.912 27.843 15.126 1.00 40.33 C ATOM 414 OG SER A 31 -12.857 28.683 15.561 1.00 60.12 O ATOM 0 H SER A 31 -13.943 28.011 17.593 1.00 32.52 H new ATOM 0 HA SER A 31 -14.961 26.080 15.767 1.00 71.15 H new ATOM 0 HB2 SER A 31 -13.727 27.523 14.101 1.00 40.33 H new ATOM 0 HB3 SER A 31 -14.848 28.402 15.121 1.00 40.33 H new ATOM 0 HG SER A 31 -12.078 28.136 15.793 1.00 60.12 H new ATOM 420 N LEU A 32 -13.137 24.385 15.777 1.00 43.04 N ATOM 421 CA LEU A 32 -12.092 23.387 15.585 1.00 35.11 C ATOM 422 C LEU A 32 -11.336 23.633 14.283 1.00 35.31 C ATOM 423 O LEU A 32 -11.652 24.559 13.537 1.00 1.40 O ATOM 424 CB LEU A 32 -12.696 21.981 15.581 1.00 51.41 C ATOM 425 CG LEU A 32 -13.038 21.393 16.949 1.00 31.22 C ATOM 426 CD1 LEU A 32 -14.509 21.010 17.013 1.00 12.14 C ATOM 427 CD2 LEU A 32 -12.157 20.188 17.248 1.00 43.54 C ATOM 0 H LEU A 32 -14.077 23.999 15.869 1.00 43.04 H new ATOM 0 HA LEU A 32 -11.388 23.470 16.413 1.00 35.11 H new ATOM 0 HB2 LEU A 32 -13.604 21.999 14.979 1.00 51.41 H new ATOM 0 HB3 LEU A 32 -11.997 21.309 15.083 1.00 51.41 H new ATOM 0 HG LEU A 32 -12.848 22.153 17.707 1.00 31.22 H new ATOM 0 HD11 LEU A 32 -14.734 20.593 17.995 1.00 12.14 H new ATOM 0 HD12 LEU A 32 -15.123 21.895 16.845 1.00 12.14 H new ATOM 0 HD13 LEU A 32 -14.725 20.267 16.245 1.00 12.14 H new ATOM 0 HD21 LEU A 32 -12.415 19.783 18.226 1.00 43.54 H new ATOM 0 HD22 LEU A 32 -12.314 19.425 16.486 1.00 43.54 H new ATOM 0 HD23 LEU A 32 -11.111 20.493 17.246 1.00 43.54 H new ATOM 439 N SER A 33 -10.339 22.795 14.016 1.00 74.33 N ATOM 440 CA SER A 33 -9.538 22.923 12.805 1.00 32.13 C ATOM 441 C SER A 33 -9.301 21.558 12.164 1.00 22.01 C ATOM 442 O SER A 33 -9.569 21.363 10.978 1.00 12.14 O ATOM 443 CB SER A 33 -8.197 23.588 13.122 1.00 52.52 C ATOM 444 OG SER A 33 -7.784 24.434 12.062 1.00 20.11 O ATOM 0 H SER A 33 -10.067 22.021 14.622 1.00 74.33 H new ATOM 0 HA SER A 33 -10.088 23.547 12.100 1.00 32.13 H new ATOM 0 HB2 SER A 33 -8.283 24.167 14.041 1.00 52.52 H new ATOM 0 HB3 SER A 33 -7.440 22.823 13.297 1.00 52.52 H new ATOM 0 HG SER A 33 -7.716 23.913 11.235 1.00 20.11 H new ATOM 450 N SER A 34 -8.799 20.618 12.957 1.00 22.43 N ATOM 451 CA SER A 34 -8.523 19.272 12.467 1.00 41.44 C ATOM 452 C SER A 34 -9.051 18.222 13.439 1.00 34.13 C ATOM 453 O SER A 34 -8.948 18.380 14.656 1.00 22.53 O ATOM 454 CB SER A 34 -7.019 19.081 12.259 1.00 3.05 C ATOM 455 OG SER A 34 -6.453 20.193 11.587 1.00 32.22 O ATOM 0 H SER A 34 -8.575 20.763 13.941 1.00 22.43 H new ATOM 0 HA SER A 34 -9.033 19.147 11.512 1.00 41.44 H new ATOM 0 HB2 SER A 34 -6.529 18.947 13.223 1.00 3.05 H new ATOM 0 HB3 SER A 34 -6.841 18.174 11.682 1.00 3.05 H new ATOM 0 HG SER A 34 -5.491 20.048 11.467 1.00 32.22 H new ATOM 461 N TRP A 35 -9.613 17.149 12.894 1.00 45.22 N ATOM 462 CA TRP A 35 -10.158 16.072 13.712 1.00 14.23 C ATOM 463 C TRP A 35 -9.380 14.778 13.495 1.00 44.20 C ATOM 464 O TRP A 35 -9.204 14.330 12.361 1.00 62.20 O ATOM 465 CB TRP A 35 -11.636 15.854 13.387 1.00 62.35 C ATOM 466 CG TRP A 35 -11.879 15.456 11.963 1.00 44.23 C ATOM 467 CD1 TRP A 35 -12.081 16.292 10.902 1.00 2.03 C ATOM 468 CD2 TRP A 35 -11.949 14.123 11.446 1.00 53.33 C ATOM 469 NE1 TRP A 35 -12.272 15.558 9.756 1.00 50.31 N ATOM 470 CE2 TRP A 35 -12.195 14.225 10.062 1.00 53.13 C ATOM 471 CE3 TRP A 35 -11.826 12.853 12.016 1.00 11.12 C ATOM 472 CZ2 TRP A 35 -12.320 13.106 9.244 1.00 54.20 C ATOM 473 CZ3 TRP A 35 -11.951 11.743 11.202 1.00 32.12 C ATOM 474 CH2 TRP A 35 -12.194 11.875 9.829 1.00 31.12 C ATOM 0 H TRP A 35 -9.703 17.002 11.889 1.00 45.22 H new ATOM 0 HA TRP A 35 -10.063 16.360 14.759 1.00 14.23 H new ATOM 0 HB2 TRP A 35 -12.035 15.083 14.045 1.00 62.35 H new ATOM 0 HB3 TRP A 35 -12.186 16.771 13.599 1.00 62.35 H new ATOM 0 HD1 TRP A 35 -12.089 17.371 10.956 1.00 2.03 H new ATOM 0 HE1 TRP A 35 -12.443 15.944 8.827 1.00 50.31 H new ATOM 0 HE3 TRP A 35 -11.637 12.741 13.073 1.00 11.12 H new ATOM 0 HZ2 TRP A 35 -12.510 13.205 8.185 1.00 54.20 H new ATOM 0 HZ3 TRP A 35 -11.860 10.757 11.632 1.00 32.12 H new ATOM 0 HH2 TRP A 35 -12.284 10.988 9.220 1.00 31.12 H new ATOM 485 N THR A 36 -8.916 14.180 14.588 1.00 24.11 N ATOM 486 CA THR A 36 -8.157 12.938 14.515 1.00 64.15 C ATOM 487 C THR A 36 -8.650 11.932 15.549 1.00 23.41 C ATOM 488 O THR A 36 -8.564 12.172 16.754 1.00 74.21 O ATOM 489 CB THR A 36 -6.653 13.186 14.734 1.00 11.44 C ATOM 490 OG1 THR A 36 -6.224 14.310 13.957 1.00 4.42 O ATOM 491 CG2 THR A 36 -5.841 11.958 14.349 1.00 13.20 C ATOM 0 H THR A 36 -9.053 14.536 15.534 1.00 24.11 H new ATOM 0 HA THR A 36 -8.309 12.532 13.515 1.00 64.15 H new ATOM 0 HB THR A 36 -6.491 13.393 15.792 1.00 11.44 H new ATOM 0 HG1 THR A 36 -5.267 14.462 14.103 1.00 4.42 H new ATOM 0 HG21 THR A 36 -4.782 12.156 14.512 1.00 13.20 H new ATOM 0 HG22 THR A 36 -6.150 11.111 14.961 1.00 13.20 H new ATOM 0 HG23 THR A 36 -6.009 11.726 13.297 1.00 13.20 H new ATOM 499 N VAL A 37 -9.167 10.805 15.072 1.00 4.15 N ATOM 500 CA VAL A 37 -9.672 9.760 15.956 1.00 4.33 C ATOM 501 C VAL A 37 -8.695 8.593 16.042 1.00 3.23 C ATOM 502 O VAL A 37 -8.580 7.799 15.110 1.00 13.45 O ATOM 503 CB VAL A 37 -11.040 9.236 15.481 1.00 4.10 C ATOM 504 CG1 VAL A 37 -11.658 8.327 16.531 1.00 73.31 C ATOM 505 CG2 VAL A 37 -11.970 10.395 15.154 1.00 4.12 C ATOM 0 H VAL A 37 -9.248 10.591 14.078 1.00 4.15 H new ATOM 0 HA VAL A 37 -9.786 10.208 16.943 1.00 4.33 H new ATOM 0 HB VAL A 37 -10.890 8.652 14.573 1.00 4.10 H new ATOM 0 HG11 VAL A 37 -12.624 7.967 16.177 1.00 73.31 H new ATOM 0 HG12 VAL A 37 -10.998 7.478 16.711 1.00 73.31 H new ATOM 0 HG13 VAL A 37 -11.796 8.883 17.458 1.00 73.31 H new ATOM 0 HG21 VAL A 37 -12.932 10.006 14.820 1.00 4.12 H new ATOM 0 HG22 VAL A 37 -12.115 11.007 16.044 1.00 4.12 H new ATOM 0 HG23 VAL A 37 -11.530 11.003 14.363 1.00 4.12 H new ATOM 515 N GLU A 38 -7.995 8.497 17.168 1.00 14.54 N ATOM 516 CA GLU A 38 -7.027 7.426 17.374 1.00 12.11 C ATOM 517 C GLU A 38 -7.397 6.586 18.594 1.00 2.43 C ATOM 518 O GLU A 38 -7.776 7.120 19.636 1.00 70.13 O ATOM 519 CB GLU A 38 -5.622 8.005 17.547 1.00 32.31 C ATOM 520 CG GLU A 38 -5.371 8.592 18.927 1.00 10.41 C ATOM 521 CD GLU A 38 -3.979 9.177 19.068 1.00 2.22 C ATOM 522 OE1 GLU A 38 -3.366 9.506 18.031 1.00 44.34 O ATOM 523 OE2 GLU A 38 -3.503 9.304 20.215 1.00 51.13 O ATOM 0 H GLU A 38 -8.080 9.146 17.950 1.00 14.54 H new ATOM 0 HA GLU A 38 -7.041 6.783 16.494 1.00 12.11 H new ATOM 0 HB2 GLU A 38 -4.889 7.221 17.356 1.00 32.31 H new ATOM 0 HB3 GLU A 38 -5.463 8.780 16.797 1.00 32.31 H new ATOM 0 HG2 GLU A 38 -6.109 9.368 19.127 1.00 10.41 H new ATOM 0 HG3 GLU A 38 -5.513 7.816 19.679 1.00 10.41 H new ATOM 530 N TRP A 39 -7.285 5.270 18.455 1.00 44.11 N ATOM 531 CA TRP A 39 -7.609 4.357 19.545 1.00 13.13 C ATOM 532 C TRP A 39 -6.569 3.246 19.649 1.00 21.31 C ATOM 533 O TRP A 39 -5.718 3.095 18.773 1.00 30.33 O ATOM 534 CB TRP A 39 -8.999 3.754 19.336 1.00 73.42 C ATOM 535 CG TRP A 39 -9.661 4.211 18.072 1.00 35.42 C ATOM 536 CD1 TRP A 39 -10.730 5.053 17.965 1.00 33.32 C ATOM 537 CD2 TRP A 39 -9.299 3.847 16.736 1.00 10.54 C ATOM 538 NE1 TRP A 39 -11.054 5.236 16.642 1.00 64.42 N ATOM 539 CE2 TRP A 39 -10.190 4.508 15.868 1.00 31.41 C ATOM 540 CE3 TRP A 39 -8.306 3.031 16.187 1.00 42.01 C ATOM 541 CZ2 TRP A 39 -10.118 4.374 14.484 1.00 23.44 C ATOM 542 CZ3 TRP A 39 -8.236 2.899 14.812 1.00 70.53 C ATOM 543 CH2 TRP A 39 -9.137 3.568 13.974 1.00 23.31 C ATOM 0 H TRP A 39 -6.973 4.812 17.599 1.00 44.11 H new ATOM 0 HA TRP A 39 -7.604 4.924 20.476 1.00 13.13 H new ATOM 0 HB2 TRP A 39 -8.917 2.667 19.322 1.00 73.42 H new ATOM 0 HB3 TRP A 39 -9.632 4.015 20.184 1.00 73.42 H new ATOM 0 HD1 TRP A 39 -11.245 5.508 18.798 1.00 33.32 H new ATOM 0 HE1 TRP A 39 -11.815 5.819 16.293 1.00 64.42 H new ATOM 0 HE3 TRP A 39 -7.606 2.513 16.825 1.00 42.01 H new ATOM 0 HZ2 TRP A 39 -10.812 4.888 13.836 1.00 23.44 H new ATOM 0 HZ3 TRP A 39 -7.474 2.269 14.377 1.00 70.53 H new ATOM 0 HH2 TRP A 39 -9.056 3.445 12.904 1.00 23.31 H new ATOM 554 N ASP A 40 -6.645 2.470 20.726 1.00 42.31 N ATOM 555 CA ASP A 40 -5.711 1.372 20.944 1.00 22.40 C ATOM 556 C ASP A 40 -6.325 0.044 20.515 1.00 11.35 C ATOM 557 O ASP A 40 -7.446 -0.289 20.903 1.00 54.20 O ATOM 558 CB ASP A 40 -5.303 1.307 22.416 1.00 52.10 C ATOM 559 CG ASP A 40 -3.803 1.172 22.596 1.00 40.31 C ATOM 560 OD1 ASP A 40 -3.114 2.212 22.633 1.00 55.25 O ATOM 561 OD2 ASP A 40 -3.320 0.026 22.699 1.00 15.42 O ATOM 0 H ASP A 40 -7.344 2.582 21.461 1.00 42.31 H new ATOM 0 HA ASP A 40 -4.825 1.555 20.337 1.00 22.40 H new ATOM 0 HB2 ASP A 40 -5.648 2.207 22.926 1.00 52.10 H new ATOM 0 HB3 ASP A 40 -5.801 0.461 22.891 1.00 52.10 H new ATOM 566 N PHE A 41 -5.585 -0.713 19.709 1.00 43.54 N ATOM 567 CA PHE A 41 -6.058 -2.004 19.225 1.00 41.23 C ATOM 568 C PHE A 41 -5.222 -3.140 19.804 1.00 34.24 C ATOM 569 O PHE A 41 -4.368 -3.722 19.133 1.00 24.55 O ATOM 570 CB PHE A 41 -6.010 -2.048 17.696 1.00 52.53 C ATOM 571 CG PHE A 41 -7.303 -1.651 17.044 1.00 22.40 C ATOM 572 CD1 PHE A 41 -8.505 -2.188 17.476 1.00 13.03 C ATOM 573 CD2 PHE A 41 -7.318 -0.742 15.999 1.00 1.52 C ATOM 574 CE1 PHE A 41 -9.697 -1.826 16.877 1.00 61.35 C ATOM 575 CE2 PHE A 41 -8.506 -0.375 15.396 1.00 10.31 C ATOM 576 CZ PHE A 41 -9.697 -0.917 15.836 1.00 62.44 C ATOM 0 H PHE A 41 -4.656 -0.453 19.378 1.00 43.54 H new ATOM 0 HA PHE A 41 -7.090 -2.132 19.553 1.00 41.23 H new ATOM 0 HB2 PHE A 41 -5.218 -1.386 17.346 1.00 52.53 H new ATOM 0 HB3 PHE A 41 -5.746 -3.057 17.378 1.00 52.53 H new ATOM 0 HD1 PHE A 41 -8.511 -2.898 18.290 1.00 13.03 H new ATOM 0 HD2 PHE A 41 -6.389 -0.315 15.651 1.00 1.52 H new ATOM 0 HE1 PHE A 41 -10.627 -2.253 17.222 1.00 61.35 H new ATOM 0 HE2 PHE A 41 -8.503 0.335 14.582 1.00 10.31 H new ATOM 0 HZ PHE A 41 -10.627 -0.631 15.368 1.00 62.44 H new ATOM 586 N PRO A 42 -5.471 -3.467 21.081 1.00 53.13 N ATOM 587 CA PRO A 42 -4.751 -4.536 21.781 1.00 4.25 C ATOM 588 C PRO A 42 -5.116 -5.920 21.254 1.00 42.13 C ATOM 589 O PRO A 42 -4.241 -6.728 20.942 1.00 1.11 O ATOM 590 CB PRO A 42 -5.207 -4.379 23.233 1.00 50.22 C ATOM 591 CG PRO A 42 -6.539 -3.717 23.143 1.00 22.24 C ATOM 592 CD PRO A 42 -6.473 -2.816 21.941 1.00 54.11 C ATOM 0 HA PRO A 42 -3.672 -4.456 21.649 1.00 4.25 H new ATOM 0 HB2 PRO A 42 -5.278 -5.345 23.732 1.00 50.22 H new ATOM 0 HB3 PRO A 42 -4.503 -3.775 23.806 1.00 50.22 H new ATOM 0 HG2 PRO A 42 -7.335 -4.454 23.035 1.00 22.24 H new ATOM 0 HG3 PRO A 42 -6.753 -3.147 24.047 1.00 22.24 H new ATOM 0 HD2 PRO A 42 -7.440 -2.738 21.444 1.00 54.11 H new ATOM 0 HD3 PRO A 42 -6.172 -1.804 22.213 1.00 54.11 H new ATOM 600 N THR A 43 -6.415 -6.187 21.156 1.00 73.41 N ATOM 601 CA THR A 43 -6.896 -7.473 20.668 1.00 34.43 C ATOM 602 C THR A 43 -6.652 -7.619 19.171 1.00 30.40 C ATOM 603 O THR A 43 -6.733 -6.648 18.422 1.00 43.31 O ATOM 604 CB THR A 43 -8.398 -7.657 20.953 1.00 10.11 C ATOM 605 OG1 THR A 43 -8.784 -6.861 22.080 1.00 14.14 O ATOM 606 CG2 THR A 43 -8.725 -9.118 21.223 1.00 12.41 C ATOM 0 H THR A 43 -7.153 -5.529 21.408 1.00 73.41 H new ATOM 0 HA THR A 43 -6.337 -8.242 21.201 1.00 34.43 H new ATOM 0 HB THR A 43 -8.953 -7.334 20.072 1.00 10.11 H new ATOM 0 HG1 THR A 43 -9.741 -6.982 22.254 1.00 14.14 H new ATOM 0 HG21 THR A 43 -9.792 -9.221 21.421 1.00 12.41 H new ATOM 0 HG22 THR A 43 -8.458 -9.717 20.353 1.00 12.41 H new ATOM 0 HG23 THR A 43 -8.160 -9.463 22.089 1.00 12.41 H new ATOM 614 N GLY A 44 -6.354 -8.842 18.740 1.00 41.12 N ATOM 615 CA GLY A 44 -6.105 -9.092 17.333 1.00 51.24 C ATOM 616 C GLY A 44 -6.992 -8.259 16.429 1.00 32.22 C ATOM 617 O GLY A 44 -8.152 -8.600 16.199 1.00 64.44 O ATOM 0 H GLY A 44 -6.281 -9.663 19.341 1.00 41.12 H new ATOM 0 HA2 GLY A 44 -5.060 -8.878 17.109 1.00 51.24 H new ATOM 0 HA3 GLY A 44 -6.266 -10.149 17.121 1.00 51.24 H new ATOM 621 N THR A 45 -6.446 -7.161 15.915 1.00 51.02 N ATOM 622 CA THR A 45 -7.196 -6.275 15.035 1.00 12.51 C ATOM 623 C THR A 45 -6.264 -5.497 14.113 1.00 74.14 C ATOM 624 O THR A 45 -5.092 -5.289 14.430 1.00 63.03 O ATOM 625 CB THR A 45 -8.055 -5.279 15.837 1.00 54.13 C ATOM 626 OG1 THR A 45 -7.277 -4.702 16.893 1.00 1.14 O ATOM 627 CG2 THR A 45 -9.279 -5.968 16.420 1.00 72.54 C ATOM 0 H THR A 45 -5.486 -6.865 16.094 1.00 51.02 H new ATOM 0 HA THR A 45 -7.851 -6.907 14.436 1.00 12.51 H new ATOM 0 HB THR A 45 -8.389 -4.492 15.160 1.00 54.13 H new ATOM 0 HG1 THR A 45 -7.613 -3.804 17.094 1.00 1.14 H new ATOM 0 HG21 THR A 45 -9.870 -5.245 16.982 1.00 72.54 H new ATOM 0 HG22 THR A 45 -9.883 -6.381 15.612 1.00 72.54 H new ATOM 0 HG23 THR A 45 -8.962 -6.772 17.084 1.00 72.54 H new ATOM 635 N LYS A 46 -6.789 -5.067 12.972 1.00 24.32 N ATOM 636 CA LYS A 46 -6.005 -4.309 12.004 1.00 32.23 C ATOM 637 C LYS A 46 -6.885 -3.810 10.863 1.00 51.41 C ATOM 638 O LYS A 46 -7.650 -4.573 10.274 1.00 21.15 O ATOM 639 CB LYS A 46 -4.872 -5.174 11.447 1.00 4.51 C ATOM 640 CG LYS A 46 -5.349 -6.475 10.825 1.00 1.12 C ATOM 641 CD LYS A 46 -4.184 -7.322 10.340 1.00 51.41 C ATOM 642 CE LYS A 46 -3.379 -7.880 11.504 1.00 11.31 C ATOM 643 NZ LYS A 46 -3.637 -9.332 11.710 1.00 75.04 N ATOM 0 H LYS A 46 -7.757 -5.231 12.694 1.00 24.32 H new ATOM 0 HA LYS A 46 -5.578 -3.446 12.515 1.00 32.23 H new ATOM 0 HB2 LYS A 46 -4.324 -4.602 10.698 1.00 4.51 H new ATOM 0 HB3 LYS A 46 -4.171 -5.401 12.250 1.00 4.51 H new ATOM 0 HG2 LYS A 46 -5.929 -7.038 11.556 1.00 1.12 H new ATOM 0 HG3 LYS A 46 -6.014 -6.257 9.989 1.00 1.12 H new ATOM 0 HD2 LYS A 46 -4.559 -8.143 9.729 1.00 51.41 H new ATOM 0 HD3 LYS A 46 -3.536 -6.720 9.703 1.00 51.41 H new ATOM 0 HE2 LYS A 46 -2.316 -7.722 11.319 1.00 11.31 H new ATOM 0 HE3 LYS A 46 -3.629 -7.334 12.414 1.00 11.31 H new ATOM 0 HZ1 LYS A 46 -3.070 -9.675 12.512 1.00 75.04 H new ATOM 0 HZ2 LYS A 46 -4.647 -9.480 11.911 1.00 75.04 H new ATOM 0 HZ3 LYS A 46 -3.375 -9.856 10.851 1.00 75.04 H new ATOM 657 N VAL A 47 -6.771 -2.521 10.555 1.00 1.31 N ATOM 658 CA VAL A 47 -7.555 -1.920 9.482 1.00 74.14 C ATOM 659 C VAL A 47 -6.871 -2.106 8.132 1.00 41.22 C ATOM 660 O VAL A 47 -5.968 -1.350 7.769 1.00 23.21 O ATOM 661 CB VAL A 47 -7.780 -0.416 9.728 1.00 1.11 C ATOM 662 CG1 VAL A 47 -8.565 0.201 8.579 1.00 73.13 C ATOM 663 CG2 VAL A 47 -8.494 -0.194 11.052 1.00 41.22 C ATOM 0 H VAL A 47 -6.144 -1.874 11.033 1.00 1.31 H new ATOM 0 HA VAL A 47 -8.519 -2.428 9.471 1.00 74.14 H new ATOM 0 HB VAL A 47 -6.809 0.076 9.779 1.00 1.11 H new ATOM 0 HG11 VAL A 47 -8.715 1.264 8.770 1.00 73.13 H new ATOM 0 HG12 VAL A 47 -8.010 0.074 7.650 1.00 73.13 H new ATOM 0 HG13 VAL A 47 -9.533 -0.292 8.494 1.00 73.13 H new ATOM 0 HG21 VAL A 47 -8.645 0.874 11.210 1.00 41.22 H new ATOM 0 HG22 VAL A 47 -9.460 -0.698 11.033 1.00 41.22 H new ATOM 0 HG23 VAL A 47 -7.889 -0.599 11.864 1.00 41.22 H new ATOM 673 N THR A 48 -7.308 -3.117 7.389 1.00 30.15 N ATOM 674 CA THR A 48 -6.740 -3.405 6.077 1.00 74.30 C ATOM 675 C THR A 48 -6.988 -2.257 5.107 1.00 41.32 C ATOM 676 O THR A 48 -6.091 -1.851 4.368 1.00 5.12 O ATOM 677 CB THR A 48 -7.324 -4.700 5.483 1.00 61.41 C ATOM 678 OG1 THR A 48 -7.726 -5.584 6.535 1.00 31.03 O ATOM 679 CG2 THR A 48 -6.305 -5.395 4.592 1.00 3.10 C ATOM 0 H THR A 48 -8.054 -3.751 7.673 1.00 30.15 H new ATOM 0 HA THR A 48 -5.667 -3.532 6.219 1.00 74.30 H new ATOM 0 HB THR A 48 -8.192 -4.437 4.879 1.00 61.41 H new ATOM 0 HG1 THR A 48 -8.098 -6.404 6.149 1.00 31.03 H new ATOM 0 HG21 THR A 48 -6.741 -6.307 4.184 1.00 3.10 H new ATOM 0 HG22 THR A 48 -6.023 -4.731 3.775 1.00 3.10 H new ATOM 0 HG23 THR A 48 -5.421 -5.646 5.178 1.00 3.10 H new ATOM 687 N SER A 49 -8.211 -1.735 5.115 1.00 10.13 N ATOM 688 CA SER A 49 -8.578 -0.633 4.232 1.00 33.34 C ATOM 689 C SER A 49 -9.398 0.412 4.980 1.00 53.13 C ATOM 690 O SER A 49 -9.958 0.136 6.041 1.00 2.24 O ATOM 691 CB SER A 49 -9.371 -1.157 3.032 1.00 42.45 C ATOM 692 OG SER A 49 -8.504 -1.581 1.995 1.00 1.32 O ATOM 0 H SER A 49 -8.964 -2.057 5.723 1.00 10.13 H new ATOM 0 HA SER A 49 -7.661 -0.163 3.876 1.00 33.34 H new ATOM 0 HB2 SER A 49 -10.003 -1.988 3.345 1.00 42.45 H new ATOM 0 HB3 SER A 49 -10.033 -0.375 2.660 1.00 42.45 H new ATOM 0 HG SER A 49 -9.034 -1.913 1.241 1.00 1.32 H new ATOM 698 N ALA A 50 -9.463 1.616 4.420 1.00 21.11 N ATOM 699 CA ALA A 50 -10.216 2.704 5.032 1.00 35.20 C ATOM 700 C ALA A 50 -10.675 3.712 3.984 1.00 13.02 C ATOM 701 O ALA A 50 -10.150 3.747 2.872 1.00 55.42 O ATOM 702 CB ALA A 50 -9.375 3.393 6.098 1.00 0.53 C ATOM 0 H ALA A 50 -9.003 1.862 3.543 1.00 21.11 H new ATOM 0 HA ALA A 50 -11.103 2.280 5.502 1.00 35.20 H new ATOM 0 HB1 ALA A 50 -9.949 4.203 6.547 1.00 0.53 H new ATOM 0 HB2 ALA A 50 -9.102 2.672 6.868 1.00 0.53 H new ATOM 0 HB3 ALA A 50 -8.471 3.798 5.643 1.00 0.53 H new ATOM 708 N TRP A 51 -11.658 4.528 4.346 1.00 75.13 N ATOM 709 CA TRP A 51 -12.188 5.536 3.436 1.00 42.31 C ATOM 710 C TRP A 51 -12.673 6.761 4.202 1.00 31.11 C ATOM 711 O TRP A 51 -13.233 6.641 5.292 1.00 62.33 O ATOM 712 CB TRP A 51 -13.334 4.952 2.606 1.00 53.32 C ATOM 713 CG TRP A 51 -14.361 4.239 3.431 1.00 63.23 C ATOM 714 CD1 TRP A 51 -15.274 4.809 4.273 1.00 61.51 C ATOM 715 CD2 TRP A 51 -14.580 2.826 3.495 1.00 61.33 C ATOM 716 NE1 TRP A 51 -16.047 3.834 4.857 1.00 24.45 N ATOM 717 CE2 TRP A 51 -15.643 2.610 4.395 1.00 34.20 C ATOM 718 CE3 TRP A 51 -13.984 1.723 2.878 1.00 21.33 C ATOM 719 CZ2 TRP A 51 -16.118 1.335 4.691 1.00 74.32 C ATOM 720 CZ3 TRP A 51 -14.456 0.459 3.174 1.00 25.24 C ATOM 721 CH2 TRP A 51 -15.516 0.272 4.074 1.00 52.42 C ATOM 0 H TRP A 51 -12.104 4.511 5.263 1.00 75.13 H new ATOM 0 HA TRP A 51 -11.384 5.844 2.768 1.00 42.31 H new ATOM 0 HB2 TRP A 51 -13.818 5.756 2.052 1.00 53.32 H new ATOM 0 HB3 TRP A 51 -12.924 4.259 1.871 1.00 53.32 H new ATOM 0 HD1 TRP A 51 -15.374 5.869 4.453 1.00 61.51 H new ATOM 0 HE1 TRP A 51 -16.800 3.996 5.526 1.00 24.45 H new ATOM 0 HE3 TRP A 51 -13.169 1.856 2.182 1.00 21.33 H new ATOM 0 HZ2 TRP A 51 -16.934 1.190 5.384 1.00 74.32 H new ATOM 0 HZ3 TRP A 51 -14.001 -0.401 2.704 1.00 25.24 H new ATOM 0 HH2 TRP A 51 -15.863 -0.729 4.284 1.00 52.42 H new ATOM 732 N ASP A 52 -12.455 7.938 3.627 1.00 72.43 N ATOM 733 CA ASP A 52 -12.872 9.185 4.257 1.00 44.35 C ATOM 734 C ASP A 52 -12.118 9.413 5.563 1.00 55.34 C ATOM 735 O ASP A 52 -12.502 10.255 6.375 1.00 32.35 O ATOM 736 CB ASP A 52 -14.378 9.172 4.520 1.00 5.04 C ATOM 737 CG ASP A 52 -14.943 10.563 4.729 1.00 22.41 C ATOM 738 OD1 ASP A 52 -14.449 11.508 4.080 1.00 42.31 O ATOM 739 OD2 ASP A 52 -15.880 10.706 5.541 1.00 24.34 O ATOM 0 H ASP A 52 -11.992 8.055 2.726 1.00 72.43 H new ATOM 0 HA ASP A 52 -12.638 10.002 3.575 1.00 44.35 H new ATOM 0 HB2 ASP A 52 -14.886 8.699 3.679 1.00 5.04 H new ATOM 0 HB3 ASP A 52 -14.585 8.563 5.400 1.00 5.04 H new ATOM 744 N ALA A 53 -11.043 8.657 5.759 1.00 41.42 N ATOM 745 CA ALA A 53 -10.234 8.777 6.966 1.00 3.13 C ATOM 746 C ALA A 53 -8.970 7.930 6.866 1.00 73.42 C ATOM 747 O ALA A 53 -9.010 6.712 7.045 1.00 42.02 O ATOM 748 CB ALA A 53 -11.047 8.375 8.188 1.00 0.03 C ATOM 0 H ALA A 53 -10.712 7.955 5.097 1.00 41.42 H new ATOM 0 HA ALA A 53 -9.933 9.819 7.071 1.00 3.13 H new ATOM 0 HB1 ALA A 53 -10.431 8.469 9.082 1.00 0.03 H new ATOM 0 HB2 ALA A 53 -11.917 9.026 8.276 1.00 0.03 H new ATOM 0 HB3 ALA A 53 -11.377 7.341 8.082 1.00 0.03 H new ATOM 754 N THR A 54 -7.847 8.582 6.579 1.00 22.30 N ATOM 755 CA THR A 54 -6.572 7.888 6.453 1.00 53.22 C ATOM 756 C THR A 54 -6.171 7.232 7.769 1.00 23.12 C ATOM 757 O THR A 54 -5.617 7.882 8.655 1.00 32.11 O ATOM 758 CB THR A 54 -5.452 8.848 6.010 1.00 13.22 C ATOM 759 OG1 THR A 54 -5.781 9.435 4.745 1.00 21.44 O ATOM 760 CG2 THR A 54 -4.122 8.117 5.905 1.00 42.21 C ATOM 0 H THR A 54 -7.795 9.590 6.430 1.00 22.30 H new ATOM 0 HA THR A 54 -6.704 7.119 5.692 1.00 53.22 H new ATOM 0 HB THR A 54 -5.359 9.633 6.761 1.00 13.22 H new ATOM 0 HG1 THR A 54 -5.065 10.045 4.471 1.00 21.44 H new ATOM 0 HG21 THR A 54 -3.347 8.816 5.591 1.00 42.21 H new ATOM 0 HG22 THR A 54 -3.860 7.697 6.876 1.00 42.21 H new ATOM 0 HG23 THR A 54 -4.205 7.314 5.173 1.00 42.21 H new ATOM 768 N VAL A 55 -6.454 5.939 7.891 1.00 45.11 N ATOM 769 CA VAL A 55 -6.122 5.194 9.099 1.00 30.05 C ATOM 770 C VAL A 55 -4.702 4.643 9.031 1.00 42.54 C ATOM 771 O VAL A 55 -4.319 3.997 8.055 1.00 41.24 O ATOM 772 CB VAL A 55 -7.102 4.028 9.327 1.00 14.33 C ATOM 773 CG1 VAL A 55 -6.796 3.321 10.639 1.00 14.31 C ATOM 774 CG2 VAL A 55 -8.538 4.527 9.304 1.00 45.40 C ATOM 0 H VAL A 55 -6.913 5.386 7.167 1.00 45.11 H new ATOM 0 HA VAL A 55 -6.199 5.892 9.933 1.00 30.05 H new ATOM 0 HB VAL A 55 -6.978 3.309 8.517 1.00 14.33 H new ATOM 0 HG11 VAL A 55 -7.499 2.500 10.783 1.00 14.31 H new ATOM 0 HG12 VAL A 55 -5.780 2.928 10.612 1.00 14.31 H new ATOM 0 HG13 VAL A 55 -6.890 4.028 11.464 1.00 14.31 H new ATOM 0 HG21 VAL A 55 -9.217 3.690 9.467 1.00 45.40 H new ATOM 0 HG22 VAL A 55 -8.679 5.267 10.092 1.00 45.40 H new ATOM 0 HG23 VAL A 55 -8.749 4.983 8.337 1.00 45.40 H new ATOM 784 N THR A 56 -3.921 4.903 10.076 1.00 23.45 N ATOM 785 CA THR A 56 -2.543 4.435 10.136 1.00 13.24 C ATOM 786 C THR A 56 -2.340 3.468 11.297 1.00 72.04 C ATOM 787 O THR A 56 -3.206 3.330 12.160 1.00 21.03 O ATOM 788 CB THR A 56 -1.557 5.608 10.281 1.00 51.34 C ATOM 789 OG1 THR A 56 -0.211 5.138 10.144 1.00 0.54 O ATOM 790 CG2 THR A 56 -1.724 6.292 11.630 1.00 61.14 C ATOM 0 H THR A 56 -4.221 5.436 10.892 1.00 23.45 H new ATOM 0 HA THR A 56 -2.344 3.918 9.197 1.00 13.24 H new ATOM 0 HB THR A 56 -1.771 6.332 9.494 1.00 51.34 H new ATOM 0 HG1 THR A 56 0.409 5.891 10.236 1.00 0.54 H new ATOM 0 HG21 THR A 56 -1.017 7.118 11.709 1.00 61.14 H new ATOM 0 HG22 THR A 56 -2.740 6.675 11.720 1.00 61.14 H new ATOM 0 HG23 THR A 56 -1.535 5.574 12.428 1.00 61.14 H new ATOM 798 N ASN A 57 -1.190 2.802 11.313 1.00 62.52 N ATOM 799 CA ASN A 57 -0.874 1.848 12.369 1.00 72.40 C ATOM 800 C ASN A 57 0.513 2.116 12.947 1.00 20.55 C ATOM 801 O ASN A 57 1.386 2.655 12.267 1.00 3.22 O ATOM 802 CB ASN A 57 -0.948 0.418 11.833 1.00 21.44 C ATOM 803 CG ASN A 57 0.348 -0.024 11.181 1.00 40.42 C ATOM 804 OD1 ASN A 57 1.110 -0.804 11.753 1.00 4.24 O ATOM 805 ND2 ASN A 57 0.605 0.476 9.978 1.00 73.01 N ATOM 0 H ASN A 57 -0.462 2.906 10.606 1.00 62.52 H new ATOM 0 HA ASN A 57 -1.609 1.968 13.165 1.00 72.40 H new ATOM 0 HB2 ASN A 57 -1.190 -0.261 12.650 1.00 21.44 H new ATOM 0 HB3 ASN A 57 -1.759 0.346 11.108 1.00 21.44 H new ATOM 0 HD21 ASN A 57 1.463 0.217 9.490 1.00 73.01 H new ATOM 0 HD22 ASN A 57 -0.055 1.119 9.541 1.00 73.01 H new ATOM 812 N SER A 58 0.708 1.733 14.204 1.00 54.32 N ATOM 813 CA SER A 58 1.988 1.934 14.874 1.00 61.32 C ATOM 814 C SER A 58 2.129 0.995 16.069 1.00 11.42 C ATOM 815 O SER A 58 1.821 1.361 17.201 1.00 51.24 O ATOM 816 CB SER A 58 2.124 3.386 15.335 1.00 1.43 C ATOM 817 OG SER A 58 2.487 4.231 14.257 1.00 12.43 O ATOM 0 H SER A 58 -0.003 1.282 14.779 1.00 54.32 H new ATOM 0 HA SER A 58 2.782 1.710 14.161 1.00 61.32 H new ATOM 0 HB2 SER A 58 1.181 3.724 15.765 1.00 1.43 H new ATOM 0 HB3 SER A 58 2.875 3.452 16.122 1.00 1.43 H new ATOM 0 HG SER A 58 2.249 3.801 13.409 1.00 12.43 H new ATOM 823 N GLY A 59 2.599 -0.221 15.805 1.00 3.31 N ATOM 824 CA GLY A 59 2.774 -1.195 16.867 1.00 2.03 C ATOM 825 C GLY A 59 1.457 -1.775 17.343 1.00 1.23 C ATOM 826 O GLY A 59 0.956 -2.745 16.774 1.00 21.42 O ATOM 0 H GLY A 59 2.861 -0.549 14.875 1.00 3.31 H new ATOM 0 HA2 GLY A 59 3.416 -2.002 16.514 1.00 2.03 H new ATOM 0 HA3 GLY A 59 3.285 -0.725 17.707 1.00 2.03 H new ATOM 830 N ASP A 60 0.895 -1.182 18.391 1.00 41.40 N ATOM 831 CA ASP A 60 -0.371 -1.646 18.945 1.00 1.54 C ATOM 832 C ASP A 60 -1.377 -0.502 19.033 1.00 0.04 C ATOM 833 O ASP A 60 -2.398 -0.611 19.713 1.00 43.40 O ATOM 834 CB ASP A 60 -0.153 -2.258 20.329 1.00 50.41 C ATOM 835 CG ASP A 60 1.155 -3.019 20.426 1.00 61.43 C ATOM 836 OD1 ASP A 60 1.496 -3.737 19.465 1.00 10.35 O ATOM 837 OD2 ASP A 60 1.837 -2.896 21.465 1.00 65.34 O ATOM 0 H ASP A 60 1.297 -0.378 18.874 1.00 41.40 H new ATOM 0 HA ASP A 60 -0.773 -2.409 18.279 1.00 1.54 H new ATOM 0 HB2 ASP A 60 -0.166 -1.467 21.079 1.00 50.41 H new ATOM 0 HB3 ASP A 60 -0.979 -2.930 20.560 1.00 50.41 H new ATOM 842 N HIS A 61 -1.081 0.594 18.343 1.00 3.13 N ATOM 843 CA HIS A 61 -1.959 1.758 18.343 1.00 45.10 C ATOM 844 C HIS A 61 -2.262 2.211 16.918 1.00 4.22 C ATOM 845 O HIS A 61 -1.423 2.089 16.026 1.00 22.31 O ATOM 846 CB HIS A 61 -1.322 2.904 19.130 1.00 32.24 C ATOM 847 CG HIS A 61 -2.058 4.202 19.001 1.00 22.12 C ATOM 848 ND1 HIS A 61 -2.910 4.684 19.972 1.00 72.13 N ATOM 849 CD2 HIS A 61 -2.065 5.120 18.006 1.00 52.25 C ATOM 850 CE1 HIS A 61 -3.410 5.843 19.580 1.00 21.20 C ATOM 851 NE2 HIS A 61 -2.913 6.130 18.391 1.00 52.52 N ATOM 0 H HIS A 61 -0.240 0.701 17.776 1.00 3.13 H new ATOM 0 HA HIS A 61 -2.896 1.475 18.822 1.00 45.10 H new ATOM 0 HB2 HIS A 61 -1.273 2.627 20.183 1.00 32.24 H new ATOM 0 HB3 HIS A 61 -0.296 3.042 18.788 1.00 32.24 H new ATOM 0 HD1 HIS A 61 -3.121 4.219 20.855 1.00 72.13 H new ATOM 0 HD2 HIS A 61 -1.508 5.068 17.082 1.00 52.25 H new ATOM 0 HE1 HIS A 61 -4.107 6.452 20.137 1.00 21.20 H new ATOM 859 N TRP A 62 -3.466 2.734 16.712 1.00 4.40 N ATOM 860 CA TRP A 62 -3.879 3.205 15.395 1.00 11.11 C ATOM 861 C TRP A 62 -4.451 4.615 15.475 1.00 51.03 C ATOM 862 O TRP A 62 -4.943 5.039 16.522 1.00 34.03 O ATOM 863 CB TRP A 62 -4.916 2.254 14.793 1.00 63.21 C ATOM 864 CG TRP A 62 -4.356 0.909 14.444 1.00 2.52 C ATOM 865 CD1 TRP A 62 -3.860 -0.022 15.310 1.00 30.35 C ATOM 866 CD2 TRP A 62 -4.234 0.346 13.133 1.00 11.42 C ATOM 867 NE1 TRP A 62 -3.436 -1.131 14.617 1.00 23.40 N ATOM 868 CE2 TRP A 62 -3.656 -0.930 13.280 1.00 54.02 C ATOM 869 CE3 TRP A 62 -4.558 0.794 11.850 1.00 43.50 C ATOM 870 CZ2 TRP A 62 -3.395 -1.759 12.191 1.00 63.42 C ATOM 871 CZ3 TRP A 62 -4.298 -0.028 10.771 1.00 31.45 C ATOM 872 CH2 TRP A 62 -3.722 -1.295 10.947 1.00 44.43 C ATOM 0 H TRP A 62 -4.173 2.842 17.440 1.00 4.40 H new ATOM 0 HA TRP A 62 -2.999 3.227 14.752 1.00 11.11 H new ATOM 0 HB2 TRP A 62 -5.735 2.126 15.501 1.00 63.21 H new ATOM 0 HB3 TRP A 62 -5.337 2.708 13.896 1.00 63.21 H new ATOM 0 HD1 TRP A 62 -3.808 0.095 16.382 1.00 30.35 H new ATOM 0 HE1 TRP A 62 -3.025 -1.967 15.031 1.00 23.40 H new ATOM 0 HE3 TRP A 62 -5.004 1.767 11.704 1.00 43.50 H new ATOM 0 HZ2 TRP A 62 -2.950 -2.734 12.325 1.00 63.42 H new ATOM 0 HZ3 TRP A 62 -4.542 0.310 9.775 1.00 31.45 H new ATOM 0 HH2 TRP A 62 -3.533 -1.916 10.084 1.00 44.43 H new ATOM 883 N THR A 63 -4.385 5.341 14.364 1.00 51.31 N ATOM 884 CA THR A 63 -4.895 6.705 14.309 1.00 41.43 C ATOM 885 C THR A 63 -5.613 6.972 12.992 1.00 10.15 C ATOM 886 O THR A 63 -5.261 6.406 11.957 1.00 21.02 O ATOM 887 CB THR A 63 -3.763 7.735 14.481 1.00 44.32 C ATOM 888 OG1 THR A 63 -3.038 7.470 15.687 1.00 73.32 O ATOM 889 CG2 THR A 63 -4.320 9.150 14.520 1.00 44.24 C ATOM 0 H THR A 63 -3.983 5.006 13.489 1.00 51.31 H new ATOM 0 HA THR A 63 -5.602 6.811 15.132 1.00 41.43 H new ATOM 0 HB THR A 63 -3.091 7.649 13.627 1.00 44.32 H new ATOM 0 HG1 THR A 63 -3.222 8.176 16.341 1.00 73.32 H new ATOM 0 HG21 THR A 63 -3.502 9.860 14.642 1.00 44.24 H new ATOM 0 HG22 THR A 63 -4.846 9.360 13.589 1.00 44.24 H new ATOM 0 HG23 THR A 63 -5.011 9.246 15.357 1.00 44.24 H new ATOM 897 N ALA A 64 -6.622 7.836 13.037 1.00 55.43 N ATOM 898 CA ALA A 64 -7.387 8.180 11.845 1.00 72.12 C ATOM 899 C ALA A 64 -7.376 9.684 11.599 1.00 64.05 C ATOM 900 O ALA A 64 -7.539 10.477 12.527 1.00 65.31 O ATOM 901 CB ALA A 64 -8.817 7.674 11.973 1.00 43.44 C ATOM 0 H ALA A 64 -6.928 8.310 13.886 1.00 55.43 H new ATOM 0 HA ALA A 64 -6.916 7.696 10.989 1.00 72.12 H new ATOM 0 HB1 ALA A 64 -9.378 7.937 11.076 1.00 43.44 H new ATOM 0 HB2 ALA A 64 -8.810 6.590 12.092 1.00 43.44 H new ATOM 0 HB3 ALA A 64 -9.288 8.131 12.843 1.00 43.44 H new ATOM 907 N LYS A 65 -7.181 10.073 10.344 1.00 44.11 N ATOM 908 CA LYS A 65 -7.149 11.484 9.976 1.00 11.42 C ATOM 909 C LYS A 65 -7.517 11.670 8.507 1.00 43.34 C ATOM 910 O LYS A 65 -6.984 10.989 7.632 1.00 63.50 O ATOM 911 CB LYS A 65 -5.761 12.070 10.243 1.00 61.50 C ATOM 912 CG LYS A 65 -4.630 11.254 9.641 1.00 74.53 C ATOM 913 CD LYS A 65 -4.146 10.180 10.602 1.00 52.23 C ATOM 914 CE LYS A 65 -2.844 10.583 11.277 1.00 72.32 C ATOM 915 NZ LYS A 65 -3.013 11.788 12.136 1.00 22.01 N ATOM 0 H LYS A 65 -7.043 9.431 9.564 1.00 44.11 H new ATOM 0 HA LYS A 65 -7.882 12.011 10.586 1.00 11.42 H new ATOM 0 HB2 LYS A 65 -5.720 13.083 9.842 1.00 61.50 H new ATOM 0 HB3 LYS A 65 -5.609 12.147 11.320 1.00 61.50 H new ATOM 0 HG2 LYS A 65 -4.968 10.789 8.715 1.00 74.53 H new ATOM 0 HG3 LYS A 65 -3.801 11.913 9.383 1.00 74.53 H new ATOM 0 HD2 LYS A 65 -4.908 9.997 11.359 1.00 52.23 H new ATOM 0 HD3 LYS A 65 -4.003 9.244 10.062 1.00 52.23 H new ATOM 0 HE2 LYS A 65 -2.477 9.754 11.883 1.00 72.32 H new ATOM 0 HE3 LYS A 65 -2.088 10.782 10.518 1.00 72.32 H new ATOM 0 HZ1 LYS A 65 -2.284 11.791 12.878 1.00 22.01 H new ATOM 0 HZ2 LYS A 65 -2.918 12.645 11.554 1.00 22.01 H new ATOM 0 HZ3 LYS A 65 -3.955 11.771 12.576 1.00 22.01 H new ATOM 929 N ASN A 66 -8.430 12.601 8.244 1.00 31.35 N ATOM 930 CA ASN A 66 -8.868 12.877 6.880 1.00 62.32 C ATOM 931 C ASN A 66 -8.455 14.281 6.451 1.00 53.13 C ATOM 932 O ASN A 66 -8.232 14.541 5.268 1.00 71.01 O ATOM 933 CB ASN A 66 -10.386 12.724 6.770 1.00 45.24 C ATOM 934 CG ASN A 66 -10.822 12.266 5.392 1.00 3.43 C ATOM 935 OD1 ASN A 66 -10.167 11.432 4.766 1.00 33.14 O ATOM 936 ND2 ASN A 66 -11.933 12.810 4.910 1.00 64.54 N ATOM 0 H ASN A 66 -8.880 13.176 8.956 1.00 31.35 H new ATOM 0 HA ASN A 66 -8.388 12.157 6.217 1.00 62.32 H new ATOM 0 HB2 ASN A 66 -10.731 12.007 7.514 1.00 45.24 H new ATOM 0 HB3 ASN A 66 -10.862 13.677 7.001 1.00 45.24 H new ATOM 0 HD21 ASN A 66 -12.274 12.540 3.987 1.00 64.54 H new ATOM 0 HD22 ASN A 66 -12.445 13.498 5.462 1.00 64.54 H new ATOM 943 N VAL A 67 -8.352 15.185 7.421 1.00 62.43 N ATOM 944 CA VAL A 67 -7.963 16.563 7.144 1.00 63.43 C ATOM 945 C VAL A 67 -6.530 16.829 7.587 1.00 15.51 C ATOM 946 O VAL A 67 -6.220 17.894 8.120 1.00 51.31 O ATOM 947 CB VAL A 67 -8.900 17.562 7.849 1.00 4.43 C ATOM 948 CG1 VAL A 67 -10.339 17.354 7.401 1.00 1.15 C ATOM 949 CG2 VAL A 67 -8.780 17.431 9.360 1.00 14.13 C ATOM 0 H VAL A 67 -8.533 14.988 8.405 1.00 62.43 H new ATOM 0 HA VAL A 67 -8.039 16.703 6.066 1.00 63.43 H new ATOM 0 HB VAL A 67 -8.600 18.572 7.570 1.00 4.43 H new ATOM 0 HG11 VAL A 67 -10.985 18.069 7.910 1.00 1.15 H new ATOM 0 HG12 VAL A 67 -10.410 17.504 6.324 1.00 1.15 H new ATOM 0 HG13 VAL A 67 -10.654 16.340 7.648 1.00 1.15 H new ATOM 0 HG21 VAL A 67 -9.449 18.144 9.841 1.00 14.13 H new ATOM 0 HG22 VAL A 67 -9.052 16.419 9.660 1.00 14.13 H new ATOM 0 HG23 VAL A 67 -7.753 17.636 9.663 1.00 14.13 H new ATOM 959 N GLY A 68 -5.656 15.851 7.362 1.00 42.15 N ATOM 960 CA GLY A 68 -4.263 16.000 7.744 1.00 50.31 C ATOM 961 C GLY A 68 -3.474 16.829 6.749 1.00 22.55 C ATOM 962 O GLY A 68 -2.261 16.984 6.884 1.00 75.10 O ATOM 0 H GLY A 68 -5.888 14.960 6.923 1.00 42.15 H new ATOM 0 HA2 GLY A 68 -4.207 16.468 8.727 1.00 50.31 H new ATOM 0 HA3 GLY A 68 -3.807 15.014 7.834 1.00 50.31 H new ATOM 966 N TRP A 69 -4.164 17.359 5.746 1.00 40.34 N ATOM 967 CA TRP A 69 -3.520 18.176 4.723 1.00 10.14 C ATOM 968 C TRP A 69 -4.083 19.592 4.722 1.00 41.12 C ATOM 969 O TRP A 69 -3.370 20.553 4.435 1.00 2.22 O ATOM 970 CB TRP A 69 -3.703 17.539 3.344 1.00 54.43 C ATOM 971 CG TRP A 69 -4.959 16.730 3.226 1.00 15.22 C ATOM 972 CD1 TRP A 69 -5.127 15.422 3.579 1.00 22.42 C ATOM 973 CD2 TRP A 69 -6.221 17.176 2.716 1.00 14.22 C ATOM 974 NE1 TRP A 69 -6.417 15.027 3.321 1.00 22.14 N ATOM 975 CE2 TRP A 69 -7.109 16.085 2.791 1.00 73.35 C ATOM 976 CE3 TRP A 69 -6.686 18.390 2.206 1.00 45.21 C ATOM 977 CZ2 TRP A 69 -8.434 16.175 2.374 1.00 21.20 C ATOM 978 CZ3 TRP A 69 -8.002 18.477 1.792 1.00 44.23 C ATOM 979 CH2 TRP A 69 -8.864 17.376 1.879 1.00 13.42 C ATOM 0 H TRP A 69 -5.169 17.238 5.619 1.00 40.34 H new ATOM 0 HA TRP A 69 -2.456 18.230 4.953 1.00 10.14 H new ATOM 0 HB2 TRP A 69 -3.712 18.324 2.587 1.00 54.43 H new ATOM 0 HB3 TRP A 69 -2.846 16.900 3.130 1.00 54.43 H new ATOM 0 HD1 TRP A 69 -4.358 14.790 3.999 1.00 22.42 H new ATOM 0 HE1 TRP A 69 -6.798 14.097 3.495 1.00 22.14 H new ATOM 0 HE3 TRP A 69 -6.030 19.245 2.136 1.00 45.21 H new ATOM 0 HZ2 TRP A 69 -9.099 15.327 2.439 1.00 21.20 H new ATOM 0 HZ3 TRP A 69 -8.372 19.410 1.394 1.00 44.23 H new ATOM 0 HH2 TRP A 69 -9.887 17.477 1.549 1.00 13.42 H new ATOM 990 N ASN A 70 -5.366 19.715 5.044 1.00 24.33 N ATOM 991 CA ASN A 70 -6.025 21.015 5.080 1.00 51.12 C ATOM 992 C ASN A 70 -6.252 21.472 6.518 1.00 33.24 C ATOM 993 O ASN A 70 -6.135 22.656 6.831 1.00 35.44 O ATOM 994 CB ASN A 70 -7.360 20.954 4.336 1.00 2.41 C ATOM 995 CG ASN A 70 -8.425 20.211 5.118 1.00 45.21 C ATOM 996 OD1 ASN A 70 -9.236 20.820 5.816 1.00 64.14 O ATOM 997 ND2 ASN A 70 -8.428 18.888 5.005 1.00 31.10 N ATOM 0 H ASN A 70 -5.971 18.929 5.284 1.00 24.33 H new ATOM 0 HA ASN A 70 -5.374 21.737 4.587 1.00 51.12 H new ATOM 0 HB2 ASN A 70 -7.705 21.967 4.131 1.00 2.41 H new ATOM 0 HB3 ASN A 70 -7.214 20.466 3.373 1.00 2.41 H new ATOM 0 HD21 ASN A 70 -9.122 18.335 5.508 1.00 31.10 H new ATOM 0 HD22 ASN A 70 -7.737 18.425 4.415 1.00 31.10 H new ATOM 1004 N GLY A 71 -6.578 20.522 7.390 1.00 13.13 N ATOM 1005 CA GLY A 71 -6.816 20.845 8.784 1.00 34.42 C ATOM 1006 C GLY A 71 -7.812 21.974 8.956 1.00 43.21 C ATOM 1007 O GLY A 71 -7.522 22.974 9.616 1.00 11.13 O ATOM 0 H GLY A 71 -6.681 19.535 7.155 1.00 13.13 H new ATOM 0 HA2 GLY A 71 -7.183 19.959 9.301 1.00 34.42 H new ATOM 0 HA3 GLY A 71 -5.873 21.122 9.256 1.00 34.42 H new ATOM 1011 N THR A 72 -8.990 21.819 8.359 1.00 52.02 N ATOM 1012 CA THR A 72 -10.031 22.835 8.447 1.00 2.12 C ATOM 1013 C THR A 72 -11.325 22.250 9.000 1.00 54.30 C ATOM 1014 O THR A 72 -11.912 21.345 8.407 1.00 24.51 O ATOM 1015 CB THR A 72 -10.314 23.469 7.071 1.00 34.35 C ATOM 1016 OG1 THR A 72 -11.107 22.580 6.276 1.00 60.41 O ATOM 1017 CG2 THR A 72 -9.017 23.786 6.344 1.00 53.44 C ATOM 0 H THR A 72 -9.247 20.999 7.809 1.00 52.02 H new ATOM 0 HA THR A 72 -9.665 23.605 9.126 1.00 2.12 H new ATOM 0 HB THR A 72 -10.860 24.399 7.230 1.00 34.35 H new ATOM 0 HG1 THR A 72 -10.559 21.819 5.991 1.00 60.41 H new ATOM 0 HG21 THR A 72 -9.242 24.233 5.376 1.00 53.44 H new ATOM 0 HG22 THR A 72 -8.429 24.485 6.938 1.00 53.44 H new ATOM 0 HG23 THR A 72 -8.449 22.868 6.197 1.00 53.44 H new ATOM 1025 N LEU A 73 -11.765 22.773 10.139 1.00 60.53 N ATOM 1026 CA LEU A 73 -12.992 22.303 10.774 1.00 13.23 C ATOM 1027 C LEU A 73 -13.807 23.472 11.315 1.00 61.32 C ATOM 1028 O LEU A 73 -13.283 24.567 11.515 1.00 43.13 O ATOM 1029 CB LEU A 73 -12.662 21.327 11.905 1.00 64.54 C ATOM 1030 CG LEU A 73 -13.847 20.569 12.504 1.00 61.44 C ATOM 1031 CD1 LEU A 73 -14.621 19.842 11.415 1.00 30.43 C ATOM 1032 CD2 LEU A 73 -13.372 19.590 13.569 1.00 3.50 C ATOM 0 H LEU A 73 -11.291 23.523 10.642 1.00 60.53 H new ATOM 0 HA LEU A 73 -13.588 21.788 10.021 1.00 13.23 H new ATOM 0 HB2 LEU A 73 -11.942 20.599 11.531 1.00 64.54 H new ATOM 0 HB3 LEU A 73 -12.169 21.881 12.704 1.00 64.54 H new ATOM 0 HG LEU A 73 -14.514 21.291 12.975 1.00 61.44 H new ATOM 0 HD11 LEU A 73 -15.461 19.308 11.860 1.00 30.43 H new ATOM 0 HD12 LEU A 73 -14.994 20.565 10.689 1.00 30.43 H new ATOM 0 HD13 LEU A 73 -13.964 19.131 10.914 1.00 30.43 H new ATOM 0 HD21 LEU A 73 -14.229 19.060 13.984 1.00 3.50 H new ATOM 0 HD22 LEU A 73 -12.683 18.873 13.123 1.00 3.50 H new ATOM 0 HD23 LEU A 73 -12.863 20.136 14.364 1.00 3.50 H new ATOM 1044 N ALA A 74 -15.092 23.230 11.554 1.00 12.15 N ATOM 1045 CA ALA A 74 -15.980 24.262 12.077 1.00 54.01 C ATOM 1046 C ALA A 74 -16.350 23.982 13.530 1.00 15.54 C ATOM 1047 O ALA A 74 -16.190 22.870 14.033 1.00 42.33 O ATOM 1048 CB ALA A 74 -17.233 24.363 11.221 1.00 60.01 C ATOM 0 H ALA A 74 -15.541 22.328 11.394 1.00 12.15 H new ATOM 0 HA ALA A 74 -15.451 25.215 12.041 1.00 54.01 H new ATOM 0 HB1 ALA A 74 -17.887 25.137 11.623 1.00 60.01 H new ATOM 0 HB2 ALA A 74 -16.955 24.618 10.198 1.00 60.01 H new ATOM 0 HB3 ALA A 74 -17.756 23.407 11.228 1.00 60.01 H new ATOM 1054 N PRO A 75 -16.856 25.014 14.221 1.00 53.24 N ATOM 1055 CA PRO A 75 -17.259 24.903 15.626 1.00 2.30 C ATOM 1056 C PRO A 75 -18.506 24.045 15.805 1.00 42.24 C ATOM 1057 O PRO A 75 -18.892 23.721 16.928 1.00 1.25 O ATOM 1058 CB PRO A 75 -17.545 26.353 16.028 1.00 32.22 C ATOM 1059 CG PRO A 75 -17.894 27.038 14.752 1.00 54.33 C ATOM 1060 CD PRO A 75 -17.073 26.368 13.685 1.00 23.14 C ATOM 0 HA PRO A 75 -16.493 24.421 16.233 1.00 2.30 H new ATOM 0 HB2 PRO A 75 -18.364 26.411 16.745 1.00 32.22 H new ATOM 0 HB3 PRO A 75 -16.676 26.812 16.499 1.00 32.22 H new ATOM 0 HG2 PRO A 75 -18.959 26.948 14.539 1.00 54.33 H new ATOM 0 HG3 PRO A 75 -17.669 28.103 14.807 1.00 54.33 H new ATOM 0 HD2 PRO A 75 -17.598 26.343 12.730 1.00 23.14 H new ATOM 0 HD3 PRO A 75 -16.131 26.889 13.517 1.00 23.14 H new ATOM 1068 N GLY A 76 -19.133 23.680 14.691 1.00 44.13 N ATOM 1069 CA GLY A 76 -20.331 22.862 14.747 1.00 75.11 C ATOM 1070 C GLY A 76 -20.568 22.092 13.463 1.00 74.10 C ATOM 1071 O GLY A 76 -20.818 22.684 12.415 1.00 4.54 O ATOM 0 H GLY A 76 -18.833 23.936 13.750 1.00 44.13 H new ATOM 0 HA2 GLY A 76 -20.250 22.161 15.578 1.00 75.11 H new ATOM 0 HA3 GLY A 76 -21.192 23.498 14.950 1.00 75.11 H new ATOM 1075 N ALA A 77 -20.487 20.768 13.546 1.00 21.34 N ATOM 1076 CA ALA A 77 -20.696 19.916 12.382 1.00 21.54 C ATOM 1077 C ALA A 77 -20.508 18.445 12.738 1.00 15.21 C ATOM 1078 O ALA A 77 -20.082 18.114 13.845 1.00 1.14 O ATOM 1079 CB ALA A 77 -19.749 20.315 11.260 1.00 0.03 C ATOM 0 H ALA A 77 -20.278 20.262 14.407 1.00 21.34 H new ATOM 0 HA ALA A 77 -21.723 20.052 12.042 1.00 21.54 H new ATOM 0 HB1 ALA A 77 -19.916 19.671 10.397 1.00 0.03 H new ATOM 0 HB2 ALA A 77 -19.933 21.352 10.980 1.00 0.03 H new ATOM 0 HB3 ALA A 77 -18.718 20.208 11.599 1.00 0.03 H new ATOM 1085 N SER A 78 -20.828 17.567 11.793 1.00 14.35 N ATOM 1086 CA SER A 78 -20.698 16.130 12.008 1.00 54.44 C ATOM 1087 C SER A 78 -19.969 15.469 10.842 1.00 40.53 C ATOM 1088 O SER A 78 -20.297 15.701 9.678 1.00 34.33 O ATOM 1089 CB SER A 78 -22.077 15.494 12.187 1.00 60.54 C ATOM 1090 OG SER A 78 -22.542 14.933 10.972 1.00 62.15 O ATOM 0 H SER A 78 -21.179 17.825 10.871 1.00 14.35 H new ATOM 0 HA SER A 78 -20.113 15.975 12.914 1.00 54.44 H new ATOM 0 HB2 SER A 78 -22.027 14.720 12.953 1.00 60.54 H new ATOM 0 HB3 SER A 78 -22.784 16.245 12.538 1.00 60.54 H new ATOM 0 HG SER A 78 -23.425 14.532 11.114 1.00 62.15 H new ATOM 1096 N VAL A 79 -18.975 14.647 11.163 1.00 21.44 N ATOM 1097 CA VAL A 79 -18.200 13.950 10.144 1.00 13.33 C ATOM 1098 C VAL A 79 -17.957 12.496 10.535 1.00 44.40 C ATOM 1099 O VAL A 79 -17.281 12.213 11.524 1.00 44.41 O ATOM 1100 CB VAL A 79 -16.843 14.639 9.904 1.00 71.34 C ATOM 1101 CG1 VAL A 79 -16.034 13.878 8.865 1.00 53.43 C ATOM 1102 CG2 VAL A 79 -17.048 16.085 9.478 1.00 13.22 C ATOM 0 H VAL A 79 -18.688 14.448 12.121 1.00 21.44 H new ATOM 0 HA VAL A 79 -18.785 13.982 9.225 1.00 13.33 H new ATOM 0 HB VAL A 79 -16.283 14.636 10.839 1.00 71.34 H new ATOM 0 HG11 VAL A 79 -15.079 14.380 8.709 1.00 53.43 H new ATOM 0 HG12 VAL A 79 -15.857 12.861 9.215 1.00 53.43 H new ATOM 0 HG13 VAL A 79 -16.586 13.847 7.925 1.00 53.43 H new ATOM 0 HG21 VAL A 79 -16.079 16.556 9.313 1.00 13.22 H new ATOM 0 HG22 VAL A 79 -17.628 16.114 8.555 1.00 13.22 H new ATOM 0 HG23 VAL A 79 -17.584 16.622 10.260 1.00 13.22 H new ATOM 1112 N SER A 80 -18.513 11.578 9.751 1.00 61.53 N ATOM 1113 CA SER A 80 -18.359 10.153 10.017 1.00 23.54 C ATOM 1114 C SER A 80 -17.428 9.507 8.997 1.00 32.54 C ATOM 1115 O SER A 80 -17.445 9.854 7.816 1.00 24.25 O ATOM 1116 CB SER A 80 -19.723 9.458 9.992 1.00 1.11 C ATOM 1117 OG SER A 80 -19.948 8.821 8.746 1.00 54.52 O ATOM 0 H SER A 80 -19.074 11.796 8.927 1.00 61.53 H new ATOM 0 HA SER A 80 -17.919 10.039 11.008 1.00 23.54 H new ATOM 0 HB2 SER A 80 -19.775 8.722 10.795 1.00 1.11 H new ATOM 0 HB3 SER A 80 -20.510 10.188 10.178 1.00 1.11 H new ATOM 0 HG SER A 80 -20.825 8.383 8.756 1.00 54.52 H new ATOM 1123 N PHE A 81 -16.615 8.564 9.461 1.00 34.02 N ATOM 1124 CA PHE A 81 -15.674 7.869 8.591 1.00 12.42 C ATOM 1125 C PHE A 81 -15.675 6.370 8.875 1.00 5.34 C ATOM 1126 O PHE A 81 -15.631 5.945 10.028 1.00 32.11 O ATOM 1127 CB PHE A 81 -14.264 8.433 8.775 1.00 14.34 C ATOM 1128 CG PHE A 81 -13.671 8.137 10.123 1.00 20.03 C ATOM 1129 CD1 PHE A 81 -12.944 6.976 10.336 1.00 45.51 C ATOM 1130 CD2 PHE A 81 -13.840 9.019 11.178 1.00 0.43 C ATOM 1131 CE1 PHE A 81 -12.399 6.702 11.575 1.00 34.00 C ATOM 1132 CE2 PHE A 81 -13.296 8.750 12.420 1.00 4.52 C ATOM 1133 CZ PHE A 81 -12.575 7.590 12.618 1.00 74.03 C ATOM 0 H PHE A 81 -16.589 8.263 10.435 1.00 34.02 H new ATOM 0 HA PHE A 81 -15.989 8.026 7.559 1.00 12.42 H new ATOM 0 HB2 PHE A 81 -13.613 8.022 8.003 1.00 14.34 H new ATOM 0 HB3 PHE A 81 -14.291 9.513 8.628 1.00 14.34 H new ATOM 0 HD1 PHE A 81 -12.802 6.278 9.524 1.00 45.51 H new ATOM 0 HD2 PHE A 81 -14.404 9.928 11.028 1.00 0.43 H new ATOM 0 HE1 PHE A 81 -11.835 5.794 11.728 1.00 34.00 H new ATOM 0 HE2 PHE A 81 -13.435 9.446 13.234 1.00 4.52 H new ATOM 0 HZ PHE A 81 -12.149 7.377 13.587 1.00 74.03 H new ATOM 1143 N GLY A 82 -15.727 5.573 7.812 1.00 22.34 N ATOM 1144 CA GLY A 82 -15.736 4.129 7.967 1.00 14.53 C ATOM 1145 C GLY A 82 -14.456 3.486 7.469 1.00 21.12 C ATOM 1146 O GLY A 82 -13.545 4.174 7.008 1.00 44.23 O ATOM 0 H GLY A 82 -15.763 5.901 6.847 1.00 22.34 H new ATOM 0 HA2 GLY A 82 -15.879 3.880 9.019 1.00 14.53 H new ATOM 0 HA3 GLY A 82 -16.584 3.713 7.423 1.00 14.53 H new ATOM 1150 N PHE A 83 -14.386 2.163 7.562 1.00 74.41 N ATOM 1151 CA PHE A 83 -13.207 1.426 7.120 1.00 24.42 C ATOM 1152 C PHE A 83 -13.464 -0.078 7.150 1.00 32.13 C ATOM 1153 O PHE A 83 -14.530 -0.529 7.566 1.00 75.02 O ATOM 1154 CB PHE A 83 -12.005 1.768 8.002 1.00 60.41 C ATOM 1155 CG PHE A 83 -12.073 1.154 9.371 1.00 61.43 C ATOM 1156 CD1 PHE A 83 -11.574 -0.118 9.600 1.00 64.14 C ATOM 1157 CD2 PHE A 83 -12.637 1.849 10.429 1.00 52.45 C ATOM 1158 CE1 PHE A 83 -11.635 -0.685 10.860 1.00 11.54 C ATOM 1159 CE2 PHE A 83 -12.699 1.287 11.691 1.00 11.42 C ATOM 1160 CZ PHE A 83 -12.199 0.018 11.905 1.00 52.13 C ATOM 0 H PHE A 83 -15.132 1.578 7.939 1.00 74.41 H new ATOM 0 HA PHE A 83 -12.989 1.719 6.093 1.00 24.42 H new ATOM 0 HB2 PHE A 83 -11.094 1.433 7.507 1.00 60.41 H new ATOM 0 HB3 PHE A 83 -11.934 2.851 8.101 1.00 60.41 H new ATOM 0 HD1 PHE A 83 -11.132 -0.673 8.786 1.00 64.14 H new ATOM 0 HD2 PHE A 83 -13.033 2.841 10.266 1.00 52.45 H new ATOM 0 HE1 PHE A 83 -11.242 -1.677 11.026 1.00 11.54 H new ATOM 0 HE2 PHE A 83 -13.138 1.840 12.508 1.00 11.42 H new ATOM 0 HZ PHE A 83 -12.249 -0.424 12.889 1.00 52.13 H new ATOM 1170 N ASN A 84 -12.478 -0.849 6.703 1.00 55.53 N ATOM 1171 CA ASN A 84 -12.594 -2.303 6.677 1.00 3.52 C ATOM 1172 C ASN A 84 -11.382 -2.958 7.331 1.00 20.22 C ATOM 1173 O ASN A 84 -10.241 -2.692 6.955 1.00 1.13 O ATOM 1174 CB ASN A 84 -12.741 -2.798 5.237 1.00 43.23 C ATOM 1175 CG ASN A 84 -14.116 -3.376 4.961 1.00 43.33 C ATOM 1176 OD1 ASN A 84 -14.248 -4.397 4.286 1.00 75.31 O ATOM 1177 ND2 ASN A 84 -15.148 -2.724 5.484 1.00 55.31 N ATOM 0 H ASN A 84 -11.589 -0.491 6.354 1.00 55.53 H new ATOM 0 HA ASN A 84 -13.483 -2.581 7.242 1.00 3.52 H new ATOM 0 HB2 ASN A 84 -12.553 -1.972 4.551 1.00 43.23 H new ATOM 0 HB3 ASN A 84 -11.984 -3.557 5.038 1.00 43.23 H new ATOM 0 HD21 ASN A 84 -16.097 -3.066 5.333 1.00 55.31 H new ATOM 0 HD22 ASN A 84 -14.992 -1.881 6.037 1.00 55.31 H new ATOM 1184 N GLY A 85 -11.639 -3.817 8.312 1.00 33.22 N ATOM 1185 CA GLY A 85 -10.558 -4.499 9.002 1.00 61.33 C ATOM 1186 C GLY A 85 -10.890 -5.944 9.314 1.00 32.45 C ATOM 1187 O GLY A 85 -12.056 -6.339 9.298 1.00 41.24 O ATOM 0 H GLY A 85 -12.575 -4.053 8.642 1.00 33.22 H new ATOM 0 HA2 GLY A 85 -9.658 -4.461 8.388 1.00 61.33 H new ATOM 0 HA3 GLY A 85 -10.334 -3.972 9.930 1.00 61.33 H new ATOM 1191 N SER A 86 -9.862 -6.738 9.596 1.00 21.14 N ATOM 1192 CA SER A 86 -10.049 -8.151 9.907 1.00 42.12 C ATOM 1193 C SER A 86 -9.866 -8.408 11.399 1.00 44.24 C ATOM 1194 O SER A 86 -8.838 -8.058 11.979 1.00 24.20 O ATOM 1195 CB SER A 86 -9.065 -9.005 9.106 1.00 21.14 C ATOM 1196 OG SER A 86 -7.744 -8.857 9.595 1.00 45.22 O ATOM 0 H SER A 86 -8.891 -6.427 9.616 1.00 21.14 H new ATOM 0 HA SER A 86 -11.067 -8.427 9.631 1.00 42.12 H new ATOM 0 HB2 SER A 86 -9.361 -10.053 9.160 1.00 21.14 H new ATOM 0 HB3 SER A 86 -9.101 -8.718 8.055 1.00 21.14 H new ATOM 0 HG SER A 86 -7.771 -8.487 10.502 1.00 45.22 H new ATOM 1202 N GLY A 87 -10.871 -9.023 12.015 1.00 52.25 N ATOM 1203 CA GLY A 87 -10.802 -9.316 13.435 1.00 72.32 C ATOM 1204 C GLY A 87 -12.173 -9.400 14.077 1.00 23.32 C ATOM 1205 O GLY A 87 -13.191 -9.537 13.399 1.00 21.45 O ATOM 0 H GLY A 87 -11.731 -9.323 11.557 1.00 52.25 H new ATOM 0 HA2 GLY A 87 -10.276 -10.259 13.583 1.00 72.32 H new ATOM 0 HA3 GLY A 87 -10.217 -8.544 13.934 1.00 72.32 H new ATOM 1209 N PRO A 88 -12.210 -9.320 15.415 1.00 70.43 N ATOM 1210 CA PRO A 88 -13.460 -9.386 16.178 1.00 15.24 C ATOM 1211 C PRO A 88 -14.326 -8.148 15.982 1.00 1.41 C ATOM 1212 O PRO A 88 -15.552 -8.236 15.940 1.00 25.32 O ATOM 1213 CB PRO A 88 -12.985 -9.482 17.630 1.00 41.00 C ATOM 1214 CG PRO A 88 -11.637 -8.848 17.629 1.00 70.43 C ATOM 1215 CD PRO A 88 -11.034 -9.156 16.287 1.00 4.13 C ATOM 0 HA PRO A 88 -14.085 -10.222 15.863 1.00 15.24 H new ATOM 0 HB2 PRO A 88 -13.666 -8.963 18.305 1.00 41.00 H new ATOM 0 HB3 PRO A 88 -12.935 -10.519 17.963 1.00 41.00 H new ATOM 0 HG2 PRO A 88 -11.712 -7.772 17.785 1.00 70.43 H new ATOM 0 HG3 PRO A 88 -11.019 -9.245 18.435 1.00 70.43 H new ATOM 0 HD2 PRO A 88 -10.387 -8.349 15.942 1.00 4.13 H new ATOM 0 HD3 PRO A 88 -10.427 -10.061 16.317 1.00 4.13 H new ATOM 1223 N GLY A 89 -13.680 -6.992 15.860 1.00 61.41 N ATOM 1224 CA GLY A 89 -14.408 -5.751 15.669 1.00 12.30 C ATOM 1225 C GLY A 89 -14.794 -5.097 16.980 1.00 33.50 C ATOM 1226 O GLY A 89 -15.775 -4.358 17.048 1.00 24.01 O ATOM 0 H GLY A 89 -12.665 -6.893 15.890 1.00 61.41 H new ATOM 0 HA2 GLY A 89 -13.796 -5.060 15.088 1.00 12.30 H new ATOM 0 HA3 GLY A 89 -15.308 -5.947 15.086 1.00 12.30 H new ATOM 1230 N SER A 90 -14.021 -5.370 18.026 1.00 33.42 N ATOM 1231 CA SER A 90 -14.291 -4.808 19.345 1.00 12.31 C ATOM 1232 C SER A 90 -13.196 -3.826 19.751 1.00 12.22 C ATOM 1233 O SER A 90 -12.332 -4.126 20.576 1.00 24.31 O ATOM 1234 CB SER A 90 -14.403 -5.924 20.385 1.00 72.12 C ATOM 1235 OG SER A 90 -15.749 -6.334 20.550 1.00 1.03 O ATOM 0 H SER A 90 -13.202 -5.977 17.986 1.00 33.42 H new ATOM 0 HA SER A 90 -15.238 -4.270 19.297 1.00 12.31 H new ATOM 0 HB2 SER A 90 -13.796 -6.775 20.077 1.00 72.12 H new ATOM 0 HB3 SER A 90 -14.006 -5.578 21.339 1.00 72.12 H new ATOM 0 HG SER A 90 -15.794 -7.049 21.219 1.00 1.03 H new ATOM 1241 N PRO A 91 -13.230 -2.624 19.157 1.00 55.32 N ATOM 1242 CA PRO A 91 -12.248 -1.573 19.440 1.00 61.41 C ATOM 1243 C PRO A 91 -12.407 -0.994 20.842 1.00 13.12 C ATOM 1244 O PRO A 91 -13.481 -1.074 21.438 1.00 71.03 O ATOM 1245 CB PRO A 91 -12.554 -0.508 18.384 1.00 40.20 C ATOM 1246 CG PRO A 91 -13.987 -0.720 18.036 1.00 31.13 C ATOM 1247 CD PRO A 91 -14.229 -2.199 18.163 1.00 3.10 C ATOM 0 HA PRO A 91 -11.226 -1.949 19.402 1.00 61.41 H new ATOM 0 HB2 PRO A 91 -12.386 0.496 18.774 1.00 40.20 H new ATOM 0 HB3 PRO A 91 -11.913 -0.622 17.510 1.00 40.20 H new ATOM 0 HG2 PRO A 91 -14.639 -0.159 18.706 1.00 31.13 H new ATOM 0 HG3 PRO A 91 -14.198 -0.375 17.024 1.00 31.13 H new ATOM 0 HD2 PRO A 91 -15.244 -2.413 18.497 1.00 3.10 H new ATOM 0 HD3 PRO A 91 -14.092 -2.712 17.211 1.00 3.10 H new ATOM 1255 N SER A 92 -11.332 -0.412 21.362 1.00 31.41 N ATOM 1256 CA SER A 92 -11.351 0.177 22.696 1.00 64.03 C ATOM 1257 C SER A 92 -10.455 1.410 22.759 1.00 2.21 C ATOM 1258 O SER A 92 -9.792 1.759 21.782 1.00 73.31 O ATOM 1259 CB SER A 92 -10.901 -0.848 23.737 1.00 15.03 C ATOM 1260 OG SER A 92 -9.509 -1.099 23.637 1.00 53.34 O ATOM 0 H SER A 92 -10.436 -0.335 20.880 1.00 31.41 H new ATOM 0 HA SER A 92 -12.374 0.481 22.916 1.00 64.03 H new ATOM 0 HB2 SER A 92 -11.137 -0.483 24.737 1.00 15.03 H new ATOM 0 HB3 SER A 92 -11.452 -1.778 23.598 1.00 15.03 H new ATOM 0 HG SER A 92 -9.246 -1.756 24.314 1.00 53.34 H new ATOM 1266 N ASN A 93 -10.441 2.066 23.914 1.00 53.54 N ATOM 1267 CA ASN A 93 -9.627 3.261 24.105 1.00 55.32 C ATOM 1268 C ASN A 93 -9.896 4.285 23.007 1.00 31.04 C ATOM 1269 O ASN A 93 -8.987 4.681 22.276 1.00 74.43 O ATOM 1270 CB ASN A 93 -8.140 2.893 24.123 1.00 4.23 C ATOM 1271 CG ASN A 93 -7.686 2.386 25.477 1.00 3.31 C ATOM 1272 OD1 ASN A 93 -7.736 1.188 25.752 1.00 74.13 O ATOM 1273 ND2 ASN A 93 -7.239 3.300 26.331 1.00 1.15 N ATOM 0 H ASN A 93 -10.984 1.791 24.732 1.00 53.54 H new ATOM 0 HA ASN A 93 -9.897 3.704 25.063 1.00 55.32 H new ATOM 0 HB2 ASN A 93 -7.949 2.129 23.369 1.00 4.23 H new ATOM 0 HB3 ASN A 93 -7.549 3.767 23.849 1.00 4.23 H new ATOM 0 HD21 ASN A 93 -6.919 3.019 27.258 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -7.215 4.283 26.060 1.00 1.15 H new ATOM 1280 N CYS A 94 -11.150 4.708 22.896 1.00 55.14 N ATOM 1281 CA CYS A 94 -11.540 5.686 21.887 1.00 41.42 C ATOM 1282 C CYS A 94 -11.115 7.092 22.298 1.00 54.23 C ATOM 1283 O CYS A 94 -11.664 7.669 23.236 1.00 44.23 O ATOM 1284 CB CYS A 94 -13.052 5.643 21.662 1.00 60.40 C ATOM 1285 SG CYS A 94 -13.667 6.911 20.530 1.00 73.13 S ATOM 0 H CYS A 94 -11.914 4.389 23.492 1.00 55.14 H new ATOM 0 HA CYS A 94 -11.034 5.431 20.956 1.00 41.42 H new ATOM 0 HB2 CYS A 94 -13.323 4.662 21.273 1.00 60.40 H new ATOM 0 HB3 CYS A 94 -13.555 5.754 22.623 1.00 60.40 H new ATOM 0 HG CYS A 94 -13.931 6.372 19.377 1.00 73.13 H new ATOM 1291 N LYS A 95 -10.130 7.638 21.591 1.00 30.44 N ATOM 1292 CA LYS A 95 -9.630 8.976 21.882 1.00 12.23 C ATOM 1293 C LYS A 95 -9.526 9.806 20.607 1.00 63.42 C ATOM 1294 O LYS A 95 -9.190 9.288 19.541 1.00 62.15 O ATOM 1295 CB LYS A 95 -8.261 8.893 22.563 1.00 3.31 C ATOM 1296 CG LYS A 95 -8.341 8.699 24.066 1.00 61.42 C ATOM 1297 CD LYS A 95 -8.456 7.229 24.433 1.00 61.23 C ATOM 1298 CE LYS A 95 -8.307 7.016 25.932 1.00 63.41 C ATOM 1299 NZ LYS A 95 -6.887 7.120 26.370 1.00 64.11 N ATOM 0 H LYS A 95 -9.663 7.174 20.812 1.00 30.44 H new ATOM 0 HA LYS A 95 -10.335 9.463 22.555 1.00 12.23 H new ATOM 0 HB2 LYS A 95 -7.698 8.068 22.128 1.00 3.31 H new ATOM 0 HB3 LYS A 95 -7.704 9.806 22.352 1.00 3.31 H new ATOM 0 HG2 LYS A 95 -7.454 9.124 24.536 1.00 61.42 H new ATOM 0 HG3 LYS A 95 -9.201 9.241 24.459 1.00 61.42 H new ATOM 0 HD2 LYS A 95 -9.422 6.845 24.104 1.00 61.23 H new ATOM 0 HD3 LYS A 95 -7.690 6.660 23.906 1.00 61.23 H new ATOM 0 HE2 LYS A 95 -8.906 7.754 26.465 1.00 63.41 H new ATOM 0 HE3 LYS A 95 -8.698 6.035 26.200 1.00 63.41 H new ATOM 0 HZ1 LYS A 95 -6.822 6.919 27.388 1.00 64.11 H new ATOM 0 HZ2 LYS A 95 -6.310 6.433 25.844 1.00 64.11 H new ATOM 0 HZ3 LYS A 95 -6.536 8.081 26.184 1.00 64.11 H new ATOM 1313 N LEU A 96 -9.815 11.098 20.723 1.00 24.32 N ATOM 1314 CA LEU A 96 -9.753 12.002 19.580 1.00 12.30 C ATOM 1315 C LEU A 96 -9.542 13.442 20.035 1.00 74.14 C ATOM 1316 O LEU A 96 -9.900 13.809 21.154 1.00 13.51 O ATOM 1317 CB LEU A 96 -11.036 11.899 18.753 1.00 52.23 C ATOM 1318 CG LEU A 96 -12.282 12.542 19.365 1.00 31.42 C ATOM 1319 CD1 LEU A 96 -12.531 13.911 18.754 1.00 10.10 C ATOM 1320 CD2 LEU A 96 -13.494 11.641 19.176 1.00 14.42 C ATOM 0 H LEU A 96 -10.095 11.543 21.597 1.00 24.32 H new ATOM 0 HA LEU A 96 -8.905 11.708 18.962 1.00 12.30 H new ATOM 0 HB2 LEU A 96 -10.856 12.357 17.780 1.00 52.23 H new ATOM 0 HB3 LEU A 96 -11.246 10.844 18.575 1.00 52.23 H new ATOM 0 HG LEU A 96 -12.114 12.671 20.434 1.00 31.42 H new ATOM 0 HD11 LEU A 96 -13.421 14.353 19.202 1.00 10.10 H new ATOM 0 HD12 LEU A 96 -11.672 14.555 18.943 1.00 10.10 H new ATOM 0 HD13 LEU A 96 -12.678 13.808 17.679 1.00 10.10 H new ATOM 0 HD21 LEU A 96 -14.371 12.114 19.617 1.00 14.42 H new ATOM 0 HD22 LEU A 96 -13.665 11.480 18.112 1.00 14.42 H new ATOM 0 HD23 LEU A 96 -13.315 10.683 19.664 1.00 14.42 H new ATOM 1332 N ASN A 97 -8.959 14.255 19.159 1.00 74.12 N ATOM 1333 CA ASN A 97 -8.702 15.656 19.470 1.00 75.35 C ATOM 1334 C ASN A 97 -7.724 15.784 20.635 1.00 61.11 C ATOM 1335 O ASN A 97 -7.953 16.548 21.571 1.00 62.54 O ATOM 1336 CB ASN A 97 -10.010 16.374 19.808 1.00 33.54 C ATOM 1337 CG ASN A 97 -9.899 17.879 19.656 1.00 23.12 C ATOM 1338 OD1 ASN A 97 -9.047 18.379 18.922 1.00 1.43 O ATOM 1339 ND2 ASN A 97 -10.763 18.609 20.353 1.00 12.12 N ATOM 0 H ASN A 97 -8.656 13.967 18.229 1.00 74.12 H new ATOM 0 HA ASN A 97 -8.256 16.121 18.591 1.00 75.35 H new ATOM 0 HB2 ASN A 97 -10.803 16.003 19.159 1.00 33.54 H new ATOM 0 HB3 ASN A 97 -10.298 16.135 20.832 1.00 33.54 H new ATOM 0 HD21 ASN A 97 -10.737 19.627 20.292 1.00 12.12 H new ATOM 0 HD22 ASN A 97 -11.453 18.152 20.949 1.00 12.12 H new ATOM 1346 N GLY A 98 -6.631 15.029 20.569 1.00 65.01 N ATOM 1347 CA GLY A 98 -5.635 15.073 21.623 1.00 70.41 C ATOM 1348 C GLY A 98 -6.036 14.256 22.835 1.00 64.40 C ATOM 1349 O GLY A 98 -5.501 14.446 23.927 1.00 63.10 O ATOM 0 H GLY A 98 -6.418 14.388 19.805 1.00 65.01 H new ATOM 0 HA2 GLY A 98 -4.685 14.702 21.237 1.00 70.41 H new ATOM 0 HA3 GLY A 98 -5.474 16.108 21.924 1.00 70.41 H new ATOM 1353 N GLY A 99 -6.986 13.344 22.645 1.00 12.41 N ATOM 1354 CA GLY A 99 -7.445 12.511 23.741 1.00 61.13 C ATOM 1355 C GLY A 99 -8.620 13.119 24.479 1.00 44.14 C ATOM 1356 O GLY A 99 -8.487 13.550 25.625 1.00 31.50 O ATOM 0 H GLY A 99 -7.445 13.168 21.752 1.00 12.41 H new ATOM 0 HA2 GLY A 99 -7.730 11.532 23.355 1.00 61.13 H new ATOM 0 HA3 GLY A 99 -6.624 12.351 24.440 1.00 61.13 H new ATOM 1360 N SER A 100 -9.775 13.159 23.821 1.00 13.40 N ATOM 1361 CA SER A 100 -10.978 13.725 24.420 1.00 14.31 C ATOM 1362 C SER A 100 -12.231 13.150 23.768 1.00 2.33 C ATOM 1363 O SER A 100 -12.584 13.518 22.647 1.00 23.25 O ATOM 1364 CB SER A 100 -10.971 15.249 24.285 1.00 73.43 C ATOM 1365 OG SER A 100 -10.372 15.858 25.416 1.00 11.14 O ATOM 0 H SER A 100 -9.903 12.806 22.873 1.00 13.40 H new ATOM 0 HA SER A 100 -10.987 13.461 25.478 1.00 14.31 H new ATOM 0 HB2 SER A 100 -10.428 15.535 23.384 1.00 73.43 H new ATOM 0 HB3 SER A 100 -11.992 15.612 24.171 1.00 73.43 H new ATOM 0 HG SER A 100 -9.648 15.288 25.750 1.00 11.14 H new ATOM 1371 N CYS A 101 -12.898 12.247 24.477 1.00 70.21 N ATOM 1372 CA CYS A 101 -14.112 11.620 23.968 1.00 24.24 C ATOM 1373 C CYS A 101 -15.036 11.214 25.112 1.00 44.21 C ATOM 1374 O CYS A 101 -14.716 10.320 25.895 1.00 75.14 O ATOM 1375 CB CYS A 101 -13.763 10.396 23.120 1.00 32.53 C ATOM 1376 SG CYS A 101 -15.197 9.438 22.579 1.00 44.31 S ATOM 0 H CYS A 101 -12.619 11.932 25.406 1.00 70.21 H new ATOM 0 HA CYS A 101 -14.632 12.348 23.345 1.00 24.24 H new ATOM 0 HB2 CYS A 101 -13.206 10.723 22.242 1.00 32.53 H new ATOM 0 HB3 CYS A 101 -13.102 9.747 23.694 1.00 32.53 H new ATOM 0 HG CYS A 101 -14.807 8.478 21.794 1.00 44.31 H new ATOM 1382 N ASP A 102 -16.183 11.879 25.203 1.00 21.42 N ATOM 1383 CA ASP A 102 -17.153 11.588 26.252 1.00 63.21 C ATOM 1384 C ASP A 102 -18.196 10.586 25.766 1.00 40.23 C ATOM 1385 O ASP A 102 -18.719 10.708 24.659 1.00 51.21 O ATOM 1386 CB ASP A 102 -17.840 12.875 26.712 1.00 74.24 C ATOM 1387 CG ASP A 102 -17.809 13.042 28.218 1.00 74.41 C ATOM 1388 OD1 ASP A 102 -18.405 12.198 28.920 1.00 54.24 O ATOM 1389 OD2 ASP A 102 -17.191 14.016 28.696 1.00 13.33 O ATOM 0 H ASP A 102 -16.463 12.623 24.563 1.00 21.42 H new ATOM 0 HA ASP A 102 -16.619 11.149 27.095 1.00 63.21 H new ATOM 0 HB2 ASP A 102 -17.352 13.731 26.245 1.00 74.24 H new ATOM 0 HB3 ASP A 102 -18.875 12.872 26.371 1.00 74.24 H new ATOM 1394 N GLY A 103 -18.492 9.595 26.602 1.00 43.45 N ATOM 1395 CA GLY A 103 -19.470 8.586 26.238 1.00 54.13 C ATOM 1396 C GLY A 103 -18.829 7.265 25.867 1.00 15.22 C ATOM 1397 O GLY A 103 -19.446 6.206 25.996 1.00 44.54 O ATOM 0 H GLY A 103 -18.073 9.473 27.524 1.00 43.45 H new ATOM 0 HA2 GLY A 103 -20.156 8.432 27.071 1.00 54.13 H new ATOM 0 HA3 GLY A 103 -20.064 8.947 25.398 1.00 54.13 H new ATOM 1401 N THR A 104 -17.584 7.322 25.402 1.00 21.11 N ATOM 1402 CA THR A 104 -16.858 6.121 25.008 1.00 44.11 C ATOM 1403 C THR A 104 -15.376 6.239 25.344 1.00 32.44 C ATOM 1404 O THR A 104 -14.782 7.308 25.210 1.00 43.31 O ATOM 1405 CB THR A 104 -17.011 5.843 23.501 1.00 32.13 C ATOM 1406 OG1 THR A 104 -17.216 7.071 22.794 1.00 11.32 O ATOM 1407 CG2 THR A 104 -18.176 4.900 23.239 1.00 62.13 C ATOM 0 H THR A 104 -17.058 8.188 25.289 1.00 21.11 H new ATOM 0 HA THR A 104 -17.289 5.292 25.569 1.00 44.11 H new ATOM 0 HB THR A 104 -16.095 5.370 23.147 1.00 32.13 H new ATOM 0 HG1 THR A 104 -16.424 7.640 22.890 1.00 11.32 H new ATOM 0 HG21 THR A 104 -18.264 4.719 22.168 1.00 62.13 H new ATOM 0 HG22 THR A 104 -18.002 3.955 23.754 1.00 62.13 H new ATOM 0 HG23 THR A 104 -19.098 5.350 23.608 1.00 62.13 H new ATOM 1415 N SER A 105 -14.784 5.132 25.781 1.00 21.40 N ATOM 1416 CA SER A 105 -13.370 5.112 26.140 1.00 62.12 C ATOM 1417 C SER A 105 -12.915 3.695 26.477 1.00 2.21 C ATOM 1418 O SER A 105 -12.617 2.901 25.587 1.00 24.21 O ATOM 1419 CB SER A 105 -13.111 6.040 27.328 1.00 61.00 C ATOM 1420 OG SER A 105 -11.733 6.350 27.442 1.00 53.40 O ATOM 0 H SER A 105 -15.261 4.238 25.895 1.00 21.40 H new ATOM 0 HA SER A 105 -12.797 5.464 25.282 1.00 62.12 H new ATOM 0 HB2 SER A 105 -13.685 6.959 27.208 1.00 61.00 H new ATOM 0 HB3 SER A 105 -13.457 5.566 28.246 1.00 61.00 H new ATOM 0 HG SER A 105 -11.594 6.946 28.208 1.00 53.40 H new TER 1426 SER A 105