USER MOD reduce.3.24.130724 H: found=0, std=0, add=1044, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1040 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 28 GLN : amide:sc= -1.27 K(o=-0.95,f=-6!) USER MOD Set 1.2: A 115 GLN : amide:sc= 0.326 K(o=-0.95,f=-6.5) USER MOD Set 2.1: A 45 THR OG1 : rot 20:sc= 0.587 USER MOD Set 2.2: A 103 SER OG : rot 155:sc= 0.138 USER MOD Set 3.1: A 34 GLN : amide:sc= -0.799 K(o=-0.078,f=-7.9!) USER MOD Set 3.2: A 105 THR OG1 : rot 180:sc= 0.72 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0116 (180deg=-0.252) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00707) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc=-0.00689 X(o=-0.0069,f=-0.0098) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0461 K(o=-0.046,f=-1.3) USER MOD Single : A 29 SER OG : rot -64:sc= 0.37 USER MOD Single : A 30 CYS SG : rot -20:sc= 0.589 USER MOD Single : A 31 ASN : amide:sc= -0.0102 X(o=-0.01,f=-0.02) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.619 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0177 K(o=-0.018,f=-0.58) USER MOD Single : A 43 THR OG1 : rot 89:sc= 0.518 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -3.67! C(o=-3.7!,f=-5.2!) USER MOD Single : A 51 SER OG : rot 160:sc= -0.0105 USER MOD Single : A 56 MET CE :methyl -162:sc= -4.21 (180deg=-6.73!) USER MOD Single : A 68 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.39) USER MOD Single : A 73 CYS SG : rot -106:sc= 0.526 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 63:sc= 0.0227 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 CYS SG : rot 160:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 16:sc= -0.908 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 73:sc= 0.361 USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.0857 K(o=-0.086,f=-1.3) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN :FLIP amide:sc= 0.8 F(o=0,f=0.8) USER MOD Single : A 121 GLN : amide:sc= -0.36 K(o=-0.36,f=-2.7!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.765 25.810 1.664 1.00 0.00 N ATOM 2 CA MET A 1 10.355 25.134 0.515 1.00 52.33 C ATOM 3 C MET A 1 10.340 23.621 0.706 1.00 30.14 C ATOM 4 O MET A 1 10.668 23.117 1.781 1.00 12.11 O ATOM 5 CB MET A 1 11.790 25.617 0.295 1.00 45.15 C ATOM 6 CG MET A 1 11.878 27.014 -0.299 1.00 23.40 C ATOM 7 SD MET A 1 13.540 27.427 -0.863 1.00 3.23 S ATOM 8 CE MET A 1 13.648 26.435 -2.350 1.00 52.43 C ATOM 0 H1 MET A 1 9.787 26.838 1.511 1.00 0.00 H new ATOM 0 H2 MET A 1 8.780 25.498 1.782 1.00 0.00 H new ATOM 0 H3 MET A 1 10.307 25.576 2.520 1.00 0.00 H new ATOM 0 HA MET A 1 9.757 25.377 -0.364 1.00 52.33 H new ATOM 0 HB2 MET A 1 12.319 25.602 1.248 1.00 45.15 H new ATOM 0 HB3 MET A 1 12.303 24.918 -0.365 1.00 45.15 H new ATOM 0 HG2 MET A 1 11.185 27.093 -1.136 1.00 23.40 H new ATOM 0 HG3 MET A 1 11.561 27.742 0.447 1.00 23.40 H new ATOM 0 HE1 MET A 1 14.470 26.795 -2.969 1.00 52.43 H new ATOM 0 HE2 MET A 1 13.826 25.394 -2.081 1.00 52.43 H new ATOM 0 HE3 MET A 1 12.714 26.511 -2.907 1.00 52.43 H new ATOM 18 N THR A 2 9.955 22.900 -0.343 1.00 35.22 N ATOM 19 CA THR A 2 9.894 21.445 -0.288 1.00 44.53 C ATOM 20 C THR A 2 9.484 20.862 -1.636 1.00 62.20 C ATOM 21 O THR A 2 8.463 21.247 -2.204 1.00 30.24 O ATOM 22 CB THR A 2 8.905 20.963 0.790 1.00 70.02 C ATOM 23 OG1 THR A 2 8.736 19.544 0.700 1.00 2.43 O ATOM 24 CG2 THR A 2 7.557 21.650 0.633 1.00 72.01 C ATOM 0 H THR A 2 9.681 23.300 -1.240 1.00 35.22 H new ATOM 0 HA THR A 2 10.895 21.096 -0.033 1.00 44.53 H new ATOM 0 HB THR A 2 9.314 21.219 1.768 1.00 70.02 H new ATOM 0 HG1 THR A 2 8.107 19.245 1.390 1.00 2.43 H new ATOM 0 HG21 THR A 2 6.875 21.294 1.405 1.00 72.01 H new ATOM 0 HG22 THR A 2 7.685 22.728 0.731 1.00 72.01 H new ATOM 0 HG23 THR A 2 7.144 21.421 -0.349 1.00 72.01 H new ATOM 32 N GLU A 3 10.286 19.930 -2.141 1.00 44.05 N ATOM 33 CA GLU A 3 10.005 19.294 -3.423 1.00 32.52 C ATOM 34 C GLU A 3 10.599 17.889 -3.475 1.00 33.32 C ATOM 35 O GLU A 3 11.781 17.714 -3.771 1.00 14.12 O ATOM 36 CB GLU A 3 10.563 20.139 -4.570 1.00 30.45 C ATOM 37 CG GLU A 3 9.531 20.483 -5.631 1.00 21.15 C ATOM 38 CD GLU A 3 9.822 21.801 -6.322 1.00 24.04 C ATOM 39 OE1 GLU A 3 9.510 22.860 -5.737 1.00 72.51 O ATOM 40 OE2 GLU A 3 10.363 21.773 -7.447 1.00 20.12 O ATOM 0 H GLU A 3 11.135 19.599 -1.682 1.00 44.05 H new ATOM 0 HA GLU A 3 8.923 19.216 -3.532 1.00 32.52 H new ATOM 0 HB2 GLU A 3 10.975 21.062 -4.163 1.00 30.45 H new ATOM 0 HB3 GLU A 3 11.388 19.602 -5.038 1.00 30.45 H new ATOM 0 HG2 GLU A 3 9.500 19.686 -6.374 1.00 21.15 H new ATOM 0 HG3 GLU A 3 8.544 20.528 -5.171 1.00 21.15 H new ATOM 47 N ALA A 4 9.770 16.891 -3.185 1.00 13.43 N ATOM 48 CA ALA A 4 10.212 15.503 -3.200 1.00 22.35 C ATOM 49 C ALA A 4 9.853 14.826 -4.519 1.00 33.42 C ATOM 50 O ALA A 4 9.294 15.455 -5.417 1.00 73.13 O ATOM 51 CB ALA A 4 9.603 14.742 -2.031 1.00 72.43 C ATOM 0 H ALA A 4 8.789 17.019 -2.937 1.00 13.43 H new ATOM 0 HA ALA A 4 11.297 15.493 -3.100 1.00 22.35 H new ATOM 0 HB1 ALA A 4 9.942 13.706 -2.055 1.00 72.43 H new ATOM 0 HB2 ALA A 4 9.914 15.204 -1.094 1.00 72.43 H new ATOM 0 HB3 ALA A 4 8.516 14.770 -2.106 1.00 72.43 H new ATOM 57 N ASP A 5 10.178 13.543 -4.628 1.00 41.41 N ATOM 58 CA ASP A 5 9.889 12.781 -5.838 1.00 51.14 C ATOM 59 C ASP A 5 9.604 11.320 -5.504 1.00 73.34 C ATOM 60 O ASP A 5 8.452 10.885 -5.512 1.00 32.31 O ATOM 61 CB ASP A 5 11.061 12.875 -6.817 1.00 50.01 C ATOM 62 CG ASP A 5 11.177 14.246 -7.452 1.00 10.33 C ATOM 63 OD1 ASP A 5 10.534 14.472 -8.499 1.00 52.51 O ATOM 64 OD2 ASP A 5 11.910 15.094 -6.902 1.00 14.32 O ATOM 0 H ASP A 5 10.642 13.008 -3.894 1.00 41.41 H new ATOM 0 HA ASP A 5 9.001 13.208 -6.305 1.00 51.14 H new ATOM 0 HB2 ASP A 5 11.988 12.641 -6.293 1.00 50.01 H new ATOM 0 HB3 ASP A 5 10.939 12.125 -7.599 1.00 50.01 H new ATOM 69 N VAL A 6 10.659 10.568 -5.214 1.00 2.21 N ATOM 70 CA VAL A 6 10.523 9.155 -4.878 1.00 30.43 C ATOM 71 C VAL A 6 11.389 8.789 -3.678 1.00 45.23 C ATOM 72 O VAL A 6 11.978 7.710 -3.632 1.00 23.13 O ATOM 73 CB VAL A 6 10.905 8.256 -6.068 1.00 4.51 C ATOM 74 CG1 VAL A 6 10.386 6.842 -5.858 1.00 25.34 C ATOM 75 CG2 VAL A 6 10.374 8.840 -7.369 1.00 4.11 C ATOM 0 H VAL A 6 11.619 10.913 -5.205 1.00 2.21 H new ATOM 0 HA VAL A 6 9.475 8.988 -4.629 1.00 30.43 H new ATOM 0 HB VAL A 6 11.992 8.212 -6.133 1.00 4.51 H new ATOM 0 HG11 VAL A 6 10.666 6.222 -6.709 1.00 25.34 H new ATOM 0 HG12 VAL A 6 10.820 6.427 -4.948 1.00 25.34 H new ATOM 0 HG13 VAL A 6 9.300 6.863 -5.766 1.00 25.34 H new ATOM 0 HG21 VAL A 6 10.653 8.192 -8.200 1.00 4.11 H new ATOM 0 HG22 VAL A 6 9.288 8.916 -7.317 1.00 4.11 H new ATOM 0 HG23 VAL A 6 10.800 9.831 -7.523 1.00 4.11 H new ATOM 85 N ASN A 7 11.463 9.695 -2.709 1.00 53.33 N ATOM 86 CA ASN A 7 12.258 9.468 -1.509 1.00 11.41 C ATOM 87 C ASN A 7 11.603 10.113 -0.291 1.00 71.23 C ATOM 88 O ASN A 7 10.769 11.012 -0.408 1.00 2.33 O ATOM 89 CB ASN A 7 13.671 10.024 -1.695 1.00 4.42 C ATOM 90 CG ASN A 7 13.694 11.271 -2.557 1.00 32.40 C ATOM 91 OD1 ASN A 7 13.210 12.328 -2.152 1.00 13.31 O ATOM 92 ND2 ASN A 7 14.256 11.153 -3.754 1.00 25.30 N ATOM 0 H ASN A 7 10.981 10.594 -2.732 1.00 53.33 H new ATOM 0 HA ASN A 7 12.316 8.393 -1.341 1.00 11.41 H new ATOM 0 HB2 ASN A 7 14.100 10.252 -0.719 1.00 4.42 H new ATOM 0 HB3 ASN A 7 14.302 9.260 -2.149 1.00 4.42 H new ATOM 0 HD21 ASN A 7 14.299 11.958 -4.379 1.00 25.30 H new ATOM 0 HD22 ASN A 7 14.645 10.257 -4.049 1.00 25.30 H new ATOM 99 N PRO A 8 11.986 9.645 0.906 1.00 44.04 N ATOM 100 CA PRO A 8 11.449 10.162 2.168 1.00 42.23 C ATOM 101 C PRO A 8 11.925 11.581 2.462 1.00 61.44 C ATOM 102 O PRO A 8 12.964 11.781 3.089 1.00 42.11 O ATOM 103 CB PRO A 8 11.999 9.187 3.212 1.00 31.42 C ATOM 104 CG PRO A 8 13.236 8.630 2.599 1.00 74.05 C ATOM 105 CD PRO A 8 12.975 8.574 1.119 1.00 61.33 C ATOM 0 HA PRO A 8 10.361 10.224 2.154 1.00 42.23 H new ATOM 0 HB2 PRO A 8 12.217 9.695 4.151 1.00 31.42 H new ATOM 0 HB3 PRO A 8 11.279 8.400 3.435 1.00 31.42 H new ATOM 0 HG2 PRO A 8 14.098 9.259 2.820 1.00 74.05 H new ATOM 0 HG3 PRO A 8 13.455 7.638 2.995 1.00 74.05 H new ATOM 0 HD2 PRO A 8 13.885 8.747 0.544 1.00 61.33 H new ATOM 0 HD3 PRO A 8 12.586 7.602 0.816 1.00 61.33 H new ATOM 113 N LYS A 9 11.156 12.564 2.004 1.00 61.32 N ATOM 114 CA LYS A 9 11.497 13.965 2.218 1.00 21.44 C ATOM 115 C LYS A 9 11.289 14.358 3.678 1.00 70.14 C ATOM 116 O LYS A 9 12.058 15.139 4.236 1.00 73.11 O ATOM 117 CB LYS A 9 10.650 14.862 1.312 1.00 2.23 C ATOM 118 CG LYS A 9 11.041 16.328 1.371 1.00 21.02 C ATOM 119 CD LYS A 9 12.377 16.577 0.693 1.00 61.00 C ATOM 120 CE LYS A 9 13.317 17.371 1.587 1.00 2.21 C ATOM 121 NZ LYS A 9 12.789 18.733 1.876 1.00 2.03 N ATOM 0 H LYS A 9 10.292 12.415 1.482 1.00 61.32 H new ATOM 0 HA LYS A 9 12.550 14.099 1.970 1.00 21.44 H new ATOM 0 HB2 LYS A 9 10.738 14.512 0.283 1.00 2.23 H new ATOM 0 HB3 LYS A 9 9.602 14.763 1.594 1.00 2.23 H new ATOM 0 HG2 LYS A 9 10.270 16.931 0.890 1.00 21.02 H new ATOM 0 HG3 LYS A 9 11.094 16.650 2.411 1.00 21.02 H new ATOM 0 HD2 LYS A 9 12.838 15.624 0.434 1.00 61.00 H new ATOM 0 HD3 LYS A 9 12.217 17.118 -0.240 1.00 61.00 H new ATOM 0 HE2 LYS A 9 13.468 16.834 2.523 1.00 2.21 H new ATOM 0 HE3 LYS A 9 14.292 17.454 1.106 1.00 2.21 H new ATOM 0 HZ1 LYS A 9 13.502 19.277 2.402 1.00 2.03 H new ATOM 0 HZ2 LYS A 9 12.573 19.218 0.982 1.00 2.03 H new ATOM 0 HZ3 LYS A 9 11.923 18.656 2.446 1.00 2.03 H new ATOM 135 N ALA A 10 10.245 13.809 4.291 1.00 74.12 N ATOM 136 CA ALA A 10 9.939 14.100 5.685 1.00 35.42 C ATOM 137 C ALA A 10 9.488 12.843 6.423 1.00 72.23 C ATOM 138 O ALA A 10 8.605 12.896 7.279 1.00 50.30 O ATOM 139 CB ALA A 10 8.869 15.179 5.778 1.00 41.23 C ATOM 0 H ALA A 10 9.597 13.160 3.843 1.00 74.12 H new ATOM 0 HA ALA A 10 10.850 14.464 6.161 1.00 35.42 H new ATOM 0 HB1 ALA A 10 8.651 15.386 6.826 1.00 41.23 H new ATOM 0 HB2 ALA A 10 9.227 16.089 5.295 1.00 41.23 H new ATOM 0 HB3 ALA A 10 7.962 14.836 5.279 1.00 41.23 H new ATOM 145 N TYR A 11 10.100 11.713 6.083 1.00 15.53 N ATOM 146 CA TYR A 11 9.760 10.442 6.711 1.00 63.30 C ATOM 147 C TYR A 11 10.910 9.936 7.576 1.00 52.14 C ATOM 148 O TYR A 11 12.063 10.340 7.419 1.00 34.53 O ATOM 149 CB TYR A 11 9.412 9.401 5.645 1.00 2.34 C ATOM 150 CG TYR A 11 7.931 9.119 5.535 1.00 21.31 C ATOM 151 CD1 TYR A 11 7.023 10.145 5.304 1.00 54.12 C ATOM 152 CD2 TYR A 11 7.439 7.826 5.661 1.00 61.22 C ATOM 153 CE1 TYR A 11 5.669 9.892 5.204 1.00 51.44 C ATOM 154 CE2 TYR A 11 6.086 7.563 5.560 1.00 42.55 C ATOM 155 CZ TYR A 11 5.205 8.599 5.331 1.00 12.53 C ATOM 156 OH TYR A 11 3.857 8.343 5.231 1.00 52.52 O ATOM 0 H TYR A 11 10.833 11.652 5.377 1.00 15.53 H new ATOM 0 HA TYR A 11 8.892 10.602 7.351 1.00 63.30 H new ATOM 0 HB2 TYR A 11 9.780 9.746 4.679 1.00 2.34 H new ATOM 0 HB3 TYR A 11 9.934 8.472 5.872 1.00 2.34 H new ATOM 0 HD1 TYR A 11 7.382 11.158 5.201 1.00 54.12 H new ATOM 0 HD2 TYR A 11 8.126 7.012 5.841 1.00 61.22 H new ATOM 0 HE1 TYR A 11 4.977 10.702 5.027 1.00 51.44 H new ATOM 0 HE2 TYR A 11 5.721 6.552 5.660 1.00 42.55 H new ATOM 0 HH TYR A 11 3.697 7.383 5.343 1.00 52.52 H new ATOM 166 N PRO A 12 10.591 9.029 8.512 1.00 55.04 N ATOM 167 CA PRO A 12 9.223 8.543 8.707 1.00 65.42 C ATOM 168 C PRO A 12 8.304 9.611 9.289 1.00 3.23 C ATOM 169 O PRO A 12 8.754 10.511 10.000 1.00 44.50 O ATOM 170 CB PRO A 12 9.396 7.388 9.697 1.00 32.13 C ATOM 171 CG PRO A 12 10.650 7.707 10.435 1.00 43.24 C ATOM 172 CD PRO A 12 11.542 8.411 9.450 1.00 53.51 C ATOM 0 HA PRO A 12 8.756 8.251 7.766 1.00 65.42 H new ATOM 0 HB2 PRO A 12 8.545 7.316 10.375 1.00 32.13 H new ATOM 0 HB3 PRO A 12 9.473 6.432 9.180 1.00 32.13 H new ATOM 0 HG2 PRO A 12 10.445 8.341 11.298 1.00 43.24 H new ATOM 0 HG3 PRO A 12 11.123 6.800 10.811 1.00 43.24 H new ATOM 0 HD2 PRO A 12 12.169 9.158 9.937 1.00 53.51 H new ATOM 0 HD3 PRO A 12 12.211 7.715 8.944 1.00 53.51 H new ATOM 180 N LEU A 13 7.016 9.506 8.985 1.00 14.12 N ATOM 181 CA LEU A 13 6.033 10.465 9.479 1.00 20.01 C ATOM 182 C LEU A 13 5.019 9.783 10.394 1.00 44.40 C ATOM 183 O LEU A 13 4.536 8.691 10.095 1.00 13.14 O ATOM 184 CB LEU A 13 5.311 11.134 8.309 1.00 31.21 C ATOM 185 CG LEU A 13 4.316 12.236 8.675 1.00 4.03 C ATOM 186 CD1 LEU A 13 5.007 13.340 9.460 1.00 52.03 C ATOM 187 CD2 LEU A 13 3.658 12.798 7.424 1.00 14.52 C ATOM 0 H LEU A 13 6.627 8.767 8.399 1.00 14.12 H new ATOM 0 HA LEU A 13 6.561 11.225 10.054 1.00 20.01 H new ATOM 0 HB2 LEU A 13 6.060 11.557 7.640 1.00 31.21 H new ATOM 0 HB3 LEU A 13 4.780 10.365 7.748 1.00 31.21 H new ATOM 0 HG LEU A 13 3.539 11.803 9.305 1.00 4.03 H new ATOM 0 HD11 LEU A 13 4.283 14.115 9.712 1.00 52.03 H new ATOM 0 HD12 LEU A 13 5.428 12.926 10.376 1.00 52.03 H new ATOM 0 HD13 LEU A 13 5.805 13.771 8.856 1.00 52.03 H new ATOM 0 HD21 LEU A 13 2.953 13.581 7.704 1.00 14.52 H new ATOM 0 HD22 LEU A 13 4.422 13.215 6.767 1.00 14.52 H new ATOM 0 HD23 LEU A 13 3.127 12.001 6.903 1.00 14.52 H new ATOM 199 N ALA A 14 4.703 10.435 11.507 1.00 34.25 N ATOM 200 CA ALA A 14 3.745 9.894 12.463 1.00 32.44 C ATOM 201 C ALA A 14 2.424 10.656 12.407 1.00 4.32 C ATOM 202 O ALA A 14 2.409 11.883 12.307 1.00 34.41 O ATOM 203 CB ALA A 14 4.321 9.936 13.870 1.00 15.54 C ATOM 0 H ALA A 14 5.096 11.339 11.769 1.00 34.25 H new ATOM 0 HA ALA A 14 3.548 8.856 12.194 1.00 32.44 H new ATOM 0 HB1 ALA A 14 3.594 9.529 14.573 1.00 15.54 H new ATOM 0 HB2 ALA A 14 5.234 9.342 13.907 1.00 15.54 H new ATOM 0 HB3 ALA A 14 4.548 10.967 14.140 1.00 15.54 H new ATOM 209 N ASP A 15 1.320 9.921 12.472 1.00 24.12 N ATOM 210 CA ASP A 15 -0.006 10.527 12.429 1.00 32.04 C ATOM 211 C ASP A 15 -0.151 11.593 13.512 1.00 63.14 C ATOM 212 O ASP A 15 0.647 11.655 14.446 1.00 71.04 O ATOM 213 CB ASP A 15 -1.086 9.457 12.601 1.00 41.23 C ATOM 214 CG ASP A 15 -0.751 8.469 13.701 1.00 71.04 C ATOM 215 OD1 ASP A 15 -0.022 7.494 13.422 1.00 42.20 O ATOM 216 OD2 ASP A 15 -1.218 8.672 14.842 1.00 64.24 O ATOM 0 H ASP A 15 1.316 8.904 12.555 1.00 24.12 H new ATOM 0 HA ASP A 15 -0.130 11.003 11.456 1.00 32.04 H new ATOM 0 HB2 ASP A 15 -2.038 9.938 12.826 1.00 41.23 H new ATOM 0 HB3 ASP A 15 -1.215 8.920 11.661 1.00 41.23 H new ATOM 221 N ALA A 16 -1.175 12.429 13.377 1.00 31.35 N ATOM 222 CA ALA A 16 -1.426 13.492 14.344 1.00 24.23 C ATOM 223 C ALA A 16 -1.639 12.921 15.742 1.00 33.51 C ATOM 224 O ALA A 16 -1.225 13.519 16.736 1.00 34.43 O ATOM 225 CB ALA A 16 -2.631 14.318 13.919 1.00 44.12 C ATOM 0 H ALA A 16 -1.844 12.391 12.608 1.00 31.35 H new ATOM 0 HA ALA A 16 -0.549 14.139 14.373 1.00 24.23 H new ATOM 0 HB1 ALA A 16 -2.807 15.108 14.650 1.00 44.12 H new ATOM 0 HB2 ALA A 16 -2.441 14.763 12.942 1.00 44.12 H new ATOM 0 HB3 ALA A 16 -3.510 13.676 13.860 1.00 44.12 H new ATOM 231 N HIS A 17 -2.288 11.763 15.812 1.00 40.41 N ATOM 232 CA HIS A 17 -2.556 11.113 17.089 1.00 0.10 C ATOM 233 C HIS A 17 -1.255 10.686 17.765 1.00 24.44 C ATOM 234 O HIS A 17 -1.178 10.609 18.992 1.00 70.31 O ATOM 235 CB HIS A 17 -3.461 9.897 16.887 1.00 35.43 C ATOM 236 CG HIS A 17 -4.899 10.162 17.214 1.00 74.43 C ATOM 237 ND1 HIS A 17 -5.687 9.274 17.915 1.00 62.44 N ATOM 238 CD2 HIS A 17 -5.691 11.224 16.932 1.00 2.30 C ATOM 239 CE1 HIS A 17 -6.901 9.777 18.048 1.00 24.15 C ATOM 240 NE2 HIS A 17 -6.930 10.960 17.462 1.00 70.03 N ATOM 0 H HIS A 17 -2.638 11.256 14.999 1.00 40.41 H new ATOM 0 HA HIS A 17 -3.063 11.831 17.734 1.00 0.10 H new ATOM 0 HB2 HIS A 17 -3.387 9.567 15.851 1.00 35.43 H new ATOM 0 HB3 HIS A 17 -3.100 9.078 17.509 1.00 35.43 H new ATOM 0 HD2 HIS A 17 -5.402 12.113 16.391 1.00 2.30 H new ATOM 0 HE1 HIS A 17 -7.730 9.301 18.551 1.00 24.15 H new ATOM 0 HE2 HIS A 17 -7.741 11.577 17.411 1.00 70.03 H new ATOM 248 N LEU A 18 -0.238 10.408 16.957 1.00 12.23 N ATOM 249 CA LEU A 18 1.059 9.988 17.477 1.00 31.15 C ATOM 250 C LEU A 18 1.881 11.191 17.929 1.00 35.52 C ATOM 251 O LEU A 18 2.483 11.179 19.003 1.00 41.35 O ATOM 252 CB LEU A 18 1.827 9.202 16.413 1.00 73.31 C ATOM 253 CG LEU A 18 2.341 7.826 16.836 1.00 23.23 C ATOM 254 CD1 LEU A 18 3.254 7.945 18.046 1.00 14.10 C ATOM 255 CD2 LEU A 18 1.178 6.890 17.134 1.00 72.33 C ATOM 0 H LEU A 18 -0.286 10.466 15.940 1.00 12.23 H new ATOM 0 HA LEU A 18 0.885 9.345 18.340 1.00 31.15 H new ATOM 0 HB2 LEU A 18 1.179 9.075 15.546 1.00 73.31 H new ATOM 0 HB3 LEU A 18 2.678 9.802 16.090 1.00 73.31 H new ATOM 0 HG LEU A 18 2.917 7.407 16.011 1.00 23.23 H new ATOM 0 HD11 LEU A 18 3.610 6.955 18.332 1.00 14.10 H new ATOM 0 HD12 LEU A 18 4.105 8.579 17.798 1.00 14.10 H new ATOM 0 HD13 LEU A 18 2.702 8.386 18.876 1.00 14.10 H new ATOM 0 HD21 LEU A 18 1.563 5.915 17.433 1.00 72.33 H new ATOM 0 HD22 LEU A 18 0.574 7.305 17.941 1.00 72.33 H new ATOM 0 HD23 LEU A 18 0.563 6.778 16.241 1.00 72.33 H new ATOM 267 N THR A 19 1.898 12.233 17.102 1.00 23.14 N ATOM 268 CA THR A 19 2.644 13.444 17.416 1.00 55.12 C ATOM 269 C THR A 19 2.188 14.043 18.742 1.00 1.44 C ATOM 270 O THR A 19 3.000 14.538 19.524 1.00 43.34 O ATOM 271 CB THR A 19 2.488 14.504 16.308 1.00 42.31 C ATOM 272 OG1 THR A 19 1.698 13.978 15.236 1.00 4.22 O ATOM 273 CG2 THR A 19 3.847 14.936 15.777 1.00 0.54 C ATOM 0 H THR A 19 1.403 12.261 16.210 1.00 23.14 H new ATOM 0 HA THR A 19 3.693 13.158 17.491 1.00 55.12 H new ATOM 0 HB THR A 19 1.989 15.374 16.735 1.00 42.31 H new ATOM 0 HG1 THR A 19 1.602 14.658 14.536 1.00 4.22 H new ATOM 0 HG21 THR A 19 3.711 15.684 14.996 1.00 0.54 H new ATOM 0 HG22 THR A 19 4.436 15.362 16.589 1.00 0.54 H new ATOM 0 HG23 THR A 19 4.368 14.072 15.365 1.00 0.54 H new ATOM 281 N LYS A 20 0.884 13.995 18.991 1.00 5.41 N ATOM 282 CA LYS A 20 0.319 14.529 20.224 1.00 13.32 C ATOM 283 C LYS A 20 1.024 13.944 21.444 1.00 30.23 C ATOM 284 O LYS A 20 1.286 14.648 22.419 1.00 21.22 O ATOM 285 CB LYS A 20 -1.179 14.229 20.294 1.00 34.40 C ATOM 286 CG LYS A 20 -2.001 14.986 19.264 1.00 45.23 C ATOM 287 CD LYS A 20 -3.097 15.809 19.918 1.00 10.00 C ATOM 288 CE LYS A 20 -4.330 15.900 19.033 1.00 60.31 C ATOM 289 NZ LYS A 20 -4.229 17.018 18.055 1.00 54.12 N ATOM 0 H LYS A 20 0.198 13.591 18.354 1.00 5.41 H new ATOM 0 HA LYS A 20 0.467 15.609 20.225 1.00 13.32 H new ATOM 0 HB2 LYS A 20 -1.333 13.159 20.154 1.00 34.40 H new ATOM 0 HB3 LYS A 20 -1.544 14.476 21.291 1.00 34.40 H new ATOM 0 HG2 LYS A 20 -1.348 15.641 18.687 1.00 45.23 H new ATOM 0 HG3 LYS A 20 -2.445 14.280 18.562 1.00 45.23 H new ATOM 0 HD2 LYS A 20 -3.367 15.362 20.875 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -2.724 16.811 20.128 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -4.463 14.960 18.498 1.00 60.31 H new ATOM 0 HE3 LYS A 20 -5.214 16.040 19.655 1.00 60.31 H new ATOM 0 HZ1 LYS A 20 -5.089 17.047 17.470 1.00 54.12 H new ATOM 0 HZ2 LYS A 20 -4.128 17.918 18.566 1.00 54.12 H new ATOM 0 HZ3 LYS A 20 -3.400 16.871 17.444 1.00 54.12 H new ATOM 303 N LYS A 21 1.328 12.653 21.382 1.00 2.32 N ATOM 304 CA LYS A 21 2.005 11.973 22.480 1.00 23.20 C ATOM 305 C LYS A 21 3.424 12.503 22.657 1.00 13.04 C ATOM 306 O LYS A 21 3.847 12.814 23.772 1.00 40.03 O ATOM 307 CB LYS A 21 2.041 10.463 22.228 1.00 51.32 C ATOM 308 CG LYS A 21 0.699 9.781 22.427 1.00 65.13 C ATOM 309 CD LYS A 21 0.842 8.269 22.458 1.00 23.34 C ATOM 310 CE LYS A 21 -0.428 7.579 21.982 1.00 41.44 C ATOM 311 NZ LYS A 21 -0.345 6.100 22.132 1.00 60.10 N ATOM 0 H LYS A 21 1.116 12.056 20.583 1.00 2.32 H new ATOM 0 HA LYS A 21 1.446 12.170 23.395 1.00 23.20 H new ATOM 0 HB2 LYS A 21 2.384 10.281 21.209 1.00 51.32 H new ATOM 0 HB3 LYS A 21 2.773 10.009 22.896 1.00 51.32 H new ATOM 0 HG2 LYS A 21 0.250 10.124 23.359 1.00 65.13 H new ATOM 0 HG3 LYS A 21 0.021 10.067 21.622 1.00 65.13 H new ATOM 0 HD2 LYS A 21 1.679 7.969 21.827 1.00 23.34 H new ATOM 0 HD3 LYS A 21 1.075 7.945 23.472 1.00 23.34 H new ATOM 0 HE2 LYS A 21 -1.280 7.954 22.549 1.00 41.44 H new ATOM 0 HE3 LYS A 21 -0.607 7.829 20.936 1.00 41.44 H new ATOM 0 HZ1 LYS A 21 -1.229 5.667 21.797 1.00 60.10 H new ATOM 0 HZ2 LYS A 21 0.452 5.738 21.571 1.00 60.10 H new ATOM 0 HZ3 LYS A 21 -0.200 5.860 23.134 1.00 60.10 H new ATOM 325 N LEU A 22 4.155 12.606 21.553 1.00 23.51 N ATOM 326 CA LEU A 22 5.526 13.101 21.586 1.00 72.03 C ATOM 327 C LEU A 22 5.573 14.545 22.076 1.00 30.55 C ATOM 328 O LEU A 22 6.449 14.920 22.856 1.00 23.41 O ATOM 329 CB LEU A 22 6.158 13.002 20.196 1.00 1.45 C ATOM 330 CG LEU A 22 6.430 11.588 19.682 1.00 31.23 C ATOM 331 CD1 LEU A 22 5.955 11.442 18.245 1.00 52.43 C ATOM 332 CD2 LEU A 22 7.911 11.255 19.792 1.00 14.41 C ATOM 0 H LEU A 22 3.821 12.353 20.623 1.00 23.51 H new ATOM 0 HA LEU A 22 6.093 12.482 22.282 1.00 72.03 H new ATOM 0 HB2 LEU A 22 5.504 13.506 19.485 1.00 1.45 H new ATOM 0 HB3 LEU A 22 7.100 13.551 20.207 1.00 1.45 H new ATOM 0 HG LEU A 22 5.873 10.884 20.301 1.00 31.23 H new ATOM 0 HD11 LEU A 22 6.157 10.429 17.896 1.00 52.43 H new ATOM 0 HD12 LEU A 22 4.884 11.636 18.194 1.00 52.43 H new ATOM 0 HD13 LEU A 22 6.483 12.156 17.613 1.00 52.43 H new ATOM 0 HD21 LEU A 22 8.085 10.245 19.422 1.00 14.41 H new ATOM 0 HD22 LEU A 22 8.488 11.964 19.198 1.00 14.41 H new ATOM 0 HD23 LEU A 22 8.222 11.318 20.835 1.00 14.41 H new ATOM 344 N LEU A 23 4.623 15.351 21.615 1.00 33.23 N ATOM 345 CA LEU A 23 4.553 16.754 22.009 1.00 61.52 C ATOM 346 C LEU A 23 4.468 16.891 23.526 1.00 40.32 C ATOM 347 O LEU A 23 5.044 17.809 24.109 1.00 74.14 O ATOM 348 CB LEU A 23 3.344 17.428 21.357 1.00 63.23 C ATOM 349 CG LEU A 23 3.522 17.861 19.901 1.00 34.53 C ATOM 350 CD1 LEU A 23 2.206 18.368 19.330 1.00 53.01 C ATOM 351 CD2 LEU A 23 4.599 18.930 19.790 1.00 0.43 C ATOM 0 H LEU A 23 3.891 15.057 20.968 1.00 33.23 H new ATOM 0 HA LEU A 23 5.464 17.246 21.669 1.00 61.52 H new ATOM 0 HB2 LEU A 23 2.498 16.743 21.411 1.00 63.23 H new ATOM 0 HB3 LEU A 23 3.081 18.306 21.947 1.00 63.23 H new ATOM 0 HG LEU A 23 3.837 16.994 19.321 1.00 34.53 H new ATOM 0 HD11 LEU A 23 2.352 18.672 18.293 1.00 53.01 H new ATOM 0 HD12 LEU A 23 1.460 17.574 19.374 1.00 53.01 H new ATOM 0 HD13 LEU A 23 1.861 19.222 19.913 1.00 53.01 H new ATOM 0 HD21 LEU A 23 4.712 19.226 18.747 1.00 0.43 H new ATOM 0 HD22 LEU A 23 4.313 19.798 20.384 1.00 0.43 H new ATOM 0 HD23 LEU A 23 5.545 18.533 20.159 1.00 0.43 H new ATOM 363 N ASP A 24 3.749 15.971 24.158 1.00 32.23 N ATOM 364 CA ASP A 24 3.591 15.986 25.608 1.00 2.30 C ATOM 365 C ASP A 24 4.927 15.739 26.302 1.00 45.32 C ATOM 366 O ASP A 24 5.171 16.240 27.399 1.00 11.33 O ATOM 367 CB ASP A 24 2.573 14.931 26.043 1.00 35.52 C ATOM 368 CG ASP A 24 1.662 15.428 27.150 1.00 51.34 C ATOM 369 OD1 ASP A 24 2.075 16.345 27.889 1.00 33.35 O ATOM 370 OD2 ASP A 24 0.538 14.898 27.276 1.00 43.30 O ATOM 0 H ASP A 24 3.266 15.205 23.689 1.00 32.23 H new ATOM 0 HA ASP A 24 3.227 16.971 25.899 1.00 2.30 H new ATOM 0 HB2 ASP A 24 1.970 14.637 25.184 1.00 35.52 H new ATOM 0 HB3 ASP A 24 3.100 14.040 26.383 1.00 35.52 H new ATOM 375 N LEU A 25 5.788 14.960 25.655 1.00 52.43 N ATOM 376 CA LEU A 25 7.100 14.644 26.211 1.00 42.02 C ATOM 377 C LEU A 25 7.881 15.917 26.521 1.00 63.14 C ATOM 378 O LEU A 25 8.474 16.048 27.592 1.00 73.02 O ATOM 379 CB LEU A 25 7.891 13.771 25.236 1.00 44.14 C ATOM 380 CG LEU A 25 8.906 12.814 25.862 1.00 34.24 C ATOM 381 CD1 LEU A 25 9.917 13.581 26.700 1.00 71.30 C ATOM 382 CD2 LEU A 25 8.197 11.765 26.707 1.00 52.14 C ATOM 0 H LEU A 25 5.602 14.536 24.746 1.00 52.43 H new ATOM 0 HA LEU A 25 6.951 14.096 27.141 1.00 42.02 H new ATOM 0 HB2 LEU A 25 7.184 13.185 24.649 1.00 44.14 H new ATOM 0 HB3 LEU A 25 8.419 14.424 24.541 1.00 44.14 H new ATOM 0 HG LEU A 25 9.441 12.306 25.060 1.00 34.24 H new ATOM 0 HD11 LEU A 25 10.631 12.883 27.137 1.00 71.30 H new ATOM 0 HD12 LEU A 25 10.447 14.294 26.068 1.00 71.30 H new ATOM 0 HD13 LEU A 25 9.399 14.116 27.496 1.00 71.30 H new ATOM 0 HD21 LEU A 25 8.934 11.092 27.145 1.00 52.14 H new ATOM 0 HD22 LEU A 25 7.636 12.256 27.502 1.00 52.14 H new ATOM 0 HD23 LEU A 25 7.512 11.194 26.080 1.00 52.14 H new ATOM 394 N VAL A 26 7.876 16.853 25.577 1.00 34.41 N ATOM 395 CA VAL A 26 8.581 18.118 25.751 1.00 30.12 C ATOM 396 C VAL A 26 8.183 18.794 27.057 1.00 20.24 C ATOM 397 O VAL A 26 9.038 19.185 27.851 1.00 73.14 O ATOM 398 CB VAL A 26 8.303 19.080 24.582 1.00 52.13 C ATOM 399 CG1 VAL A 26 9.148 20.338 24.713 1.00 74.44 C ATOM 400 CG2 VAL A 26 8.562 18.391 23.250 1.00 30.23 C ATOM 0 H VAL A 26 7.392 16.759 24.684 1.00 34.41 H new ATOM 0 HA VAL A 26 9.646 17.886 25.776 1.00 30.12 H new ATOM 0 HB VAL A 26 7.253 19.370 24.616 1.00 52.13 H new ATOM 0 HG11 VAL A 26 8.938 21.006 23.878 1.00 74.44 H new ATOM 0 HG12 VAL A 26 8.908 20.841 25.650 1.00 74.44 H new ATOM 0 HG13 VAL A 26 10.204 20.069 24.706 1.00 74.44 H new ATOM 0 HG21 VAL A 26 8.360 19.086 22.435 1.00 30.23 H new ATOM 0 HG22 VAL A 26 9.602 18.069 23.203 1.00 30.23 H new ATOM 0 HG23 VAL A 26 7.909 17.523 23.156 1.00 30.23 H new ATOM 410 N GLN A 27 6.878 18.929 27.274 1.00 5.33 N ATOM 411 CA GLN A 27 6.366 19.559 28.486 1.00 23.21 C ATOM 412 C GLN A 27 6.939 18.890 29.731 1.00 4.02 C ATOM 413 O GLN A 27 7.122 19.533 30.764 1.00 20.21 O ATOM 414 CB GLN A 27 4.838 19.492 28.514 1.00 4.12 C ATOM 415 CG GLN A 27 4.204 20.477 29.482 1.00 3.25 C ATOM 416 CD GLN A 27 2.742 20.737 29.178 1.00 62.12 C ATOM 417 OE1 GLN A 27 2.177 20.156 28.250 1.00 54.20 O ATOM 418 NE2 GLN A 27 2.122 21.613 29.958 1.00 34.53 N ATOM 0 H GLN A 27 6.157 18.611 26.627 1.00 5.33 H new ATOM 0 HA GLN A 27 6.677 20.604 28.482 1.00 23.21 H new ATOM 0 HB2 GLN A 27 4.456 19.683 27.511 1.00 4.12 H new ATOM 0 HB3 GLN A 27 4.532 18.481 28.784 1.00 4.12 H new ATOM 0 HG2 GLN A 27 4.297 20.093 30.498 1.00 3.25 H new ATOM 0 HG3 GLN A 27 4.751 21.419 29.446 1.00 3.25 H new ATOM 0 HE21 GLN A 27 2.630 22.071 30.715 1.00 34.53 H new ATOM 0 HE22 GLN A 27 1.138 21.829 29.801 1.00 34.53 H new ATOM 427 N GLN A 28 7.220 17.594 29.625 1.00 72.24 N ATOM 428 CA GLN A 28 7.771 16.839 30.744 1.00 70.14 C ATOM 429 C GLN A 28 9.244 17.174 30.954 1.00 41.44 C ATOM 430 O GLN A 28 9.744 17.145 32.079 1.00 61.34 O ATOM 431 CB GLN A 28 7.606 15.338 30.502 1.00 44.51 C ATOM 432 CG GLN A 28 6.505 14.704 31.337 1.00 61.24 C ATOM 433 CD GLN A 28 6.841 14.666 32.815 1.00 55.21 C ATOM 434 OE1 GLN A 28 7.496 15.568 33.338 1.00 73.02 O ATOM 435 NE2 GLN A 28 6.393 13.620 33.498 1.00 63.12 N ATOM 0 H GLN A 28 7.075 17.046 28.777 1.00 72.24 H new ATOM 0 HA GLN A 28 7.223 17.118 31.644 1.00 70.14 H new ATOM 0 HB2 GLN A 28 7.392 15.170 29.446 1.00 44.51 H new ATOM 0 HB3 GLN A 28 8.550 14.838 30.720 1.00 44.51 H new ATOM 0 HG2 GLN A 28 5.579 15.261 31.193 1.00 61.24 H new ATOM 0 HG3 GLN A 28 6.325 13.689 30.983 1.00 61.24 H new ATOM 0 HE21 GLN A 28 5.854 12.895 33.025 1.00 63.12 H new ATOM 0 HE22 GLN A 28 6.588 13.541 34.496 1.00 63.12 H new ATOM 444 N SER A 29 9.935 17.492 29.864 1.00 53.23 N ATOM 445 CA SER A 29 11.352 17.828 29.928 1.00 12.10 C ATOM 446 C SER A 29 11.560 19.183 30.600 1.00 23.25 C ATOM 447 O SER A 29 12.345 19.306 31.541 1.00 52.31 O ATOM 448 CB SER A 29 11.958 17.846 28.523 1.00 54.32 C ATOM 449 OG SER A 29 13.374 17.866 28.578 1.00 1.45 O ATOM 0 H SER A 29 9.536 17.524 28.926 1.00 53.23 H new ATOM 0 HA SER A 29 11.854 17.065 30.523 1.00 12.10 H new ATOM 0 HB2 SER A 29 11.625 16.969 27.969 1.00 54.32 H new ATOM 0 HB3 SER A 29 11.600 18.721 27.980 1.00 54.32 H new ATOM 0 HG SER A 29 13.673 18.697 29.003 1.00 1.45 H new ATOM 455 N CYS A 30 10.850 20.193 30.111 1.00 12.24 N ATOM 456 CA CYS A 30 10.955 21.539 30.664 1.00 63.10 C ATOM 457 C CYS A 30 10.498 21.567 32.119 1.00 24.21 C ATOM 458 O CYS A 30 10.937 22.408 32.901 1.00 14.32 O ATOM 459 CB CYS A 30 10.123 22.520 29.836 1.00 24.24 C ATOM 460 SG CYS A 30 8.337 22.272 29.975 1.00 1.14 S ATOM 0 H CYS A 30 10.196 20.106 29.333 1.00 12.24 H new ATOM 0 HA CYS A 30 12.002 21.840 30.626 1.00 63.10 H new ATOM 0 HB2 CYS A 30 10.363 23.537 30.147 1.00 24.24 H new ATOM 0 HB3 CYS A 30 10.411 22.431 28.789 1.00 24.24 H new ATOM 0 HG CYS A 30 8.098 21.066 30.397 1.00 1.14 H new ATOM 466 N ASN A 31 9.612 20.642 32.473 1.00 61.02 N ATOM 467 CA ASN A 31 9.093 20.562 33.834 1.00 54.31 C ATOM 468 C ASN A 31 10.193 20.164 34.813 1.00 41.41 C ATOM 469 O ASN A 31 10.121 20.472 36.003 1.00 72.21 O ATOM 470 CB ASN A 31 7.943 19.556 33.905 1.00 50.11 C ATOM 471 CG ASN A 31 7.369 19.432 35.303 1.00 5.21 C ATOM 472 OD1 ASN A 31 7.033 20.430 35.939 1.00 31.42 O ATOM 473 ND2 ASN A 31 7.256 18.201 35.789 1.00 24.10 N ATOM 0 H ASN A 31 9.238 19.938 31.837 1.00 61.02 H new ATOM 0 HA ASN A 31 8.722 21.548 34.113 1.00 54.31 H new ATOM 0 HB2 ASN A 31 7.154 19.861 33.217 1.00 50.11 H new ATOM 0 HB3 ASN A 31 8.297 18.580 33.572 1.00 50.11 H new ATOM 0 HD21 ASN A 31 6.878 18.055 36.725 1.00 24.10 H new ATOM 0 HD22 ASN A 31 7.547 17.402 35.226 1.00 24.10 H new ATOM 480 N TYR A 32 11.211 19.479 34.304 1.00 64.51 N ATOM 481 CA TYR A 32 12.325 19.036 35.133 1.00 3.44 C ATOM 482 C TYR A 32 13.482 20.029 35.066 1.00 22.45 C ATOM 483 O TYR A 32 14.633 19.680 35.331 1.00 21.54 O ATOM 484 CB TYR A 32 12.801 17.651 34.689 1.00 32.32 C ATOM 485 CG TYR A 32 12.572 16.572 35.723 1.00 41.53 C ATOM 486 CD1 TYR A 32 11.296 16.294 36.195 1.00 33.31 C ATOM 487 CD2 TYR A 32 13.634 15.830 36.227 1.00 70.30 C ATOM 488 CE1 TYR A 32 11.083 15.309 37.141 1.00 61.03 C ATOM 489 CE2 TYR A 32 13.429 14.842 37.171 1.00 43.41 C ATOM 490 CZ TYR A 32 12.153 14.586 37.625 1.00 51.01 C ATOM 491 OH TYR A 32 11.945 13.603 38.566 1.00 63.45 O ATOM 0 H TYR A 32 11.287 19.219 33.321 1.00 64.51 H new ATOM 0 HA TYR A 32 11.977 18.979 36.164 1.00 3.44 H new ATOM 0 HB2 TYR A 32 12.285 17.376 33.769 1.00 32.32 H new ATOM 0 HB3 TYR A 32 13.865 17.699 34.456 1.00 32.32 H new ATOM 0 HD1 TYR A 32 10.456 16.857 35.816 1.00 33.31 H new ATOM 0 HD2 TYR A 32 14.635 16.029 35.875 1.00 70.30 H new ATOM 0 HE1 TYR A 32 10.084 15.107 37.499 1.00 61.03 H new ATOM 0 HE2 TYR A 32 14.265 14.273 37.551 1.00 43.41 H new ATOM 0 HH TYR A 32 11.053 13.216 38.443 1.00 63.45 H new ATOM 501 N LYS A 33 13.167 21.270 34.712 1.00 41.34 N ATOM 502 CA LYS A 33 14.177 22.317 34.612 1.00 61.41 C ATOM 503 C LYS A 33 15.254 21.939 33.598 1.00 30.43 C ATOM 504 O LYS A 33 16.395 22.387 33.698 1.00 64.34 O ATOM 505 CB LYS A 33 14.816 22.571 35.979 1.00 10.12 C ATOM 506 CG LYS A 33 14.779 24.028 36.406 1.00 3.40 C ATOM 507 CD LYS A 33 14.777 24.166 37.919 1.00 31.44 C ATOM 508 CE LYS A 33 15.479 25.440 38.365 1.00 70.54 C ATOM 509 NZ LYS A 33 14.611 26.271 39.244 1.00 14.52 N ATOM 0 H LYS A 33 12.220 21.576 34.489 1.00 41.34 H new ATOM 0 HA LYS A 33 13.686 23.229 34.272 1.00 61.41 H new ATOM 0 HB2 LYS A 33 14.303 21.968 36.728 1.00 10.12 H new ATOM 0 HB3 LYS A 33 15.852 22.234 35.954 1.00 10.12 H new ATOM 0 HG2 LYS A 33 15.642 24.551 35.993 1.00 3.40 H new ATOM 0 HG3 LYS A 33 13.890 24.506 35.995 1.00 3.40 H new ATOM 0 HD2 LYS A 33 13.750 24.169 38.283 1.00 31.44 H new ATOM 0 HD3 LYS A 33 15.271 23.302 38.365 1.00 31.44 H new ATOM 0 HE2 LYS A 33 16.395 25.183 38.897 1.00 70.54 H new ATOM 0 HE3 LYS A 33 15.771 26.020 37.489 1.00 70.54 H new ATOM 0 HZ1 LYS A 33 15.124 27.130 39.527 1.00 14.52 H new ATOM 0 HZ2 LYS A 33 13.748 26.537 38.728 1.00 14.52 H new ATOM 0 HZ3 LYS A 33 14.353 25.727 40.092 1.00 14.52 H new ATOM 523 N GLN A 34 14.880 21.115 32.625 1.00 62.24 N ATOM 524 CA GLN A 34 15.814 20.679 31.594 1.00 70.24 C ATOM 525 C GLN A 34 15.207 20.844 30.204 1.00 1.53 C ATOM 526 O GLN A 34 14.054 20.482 29.972 1.00 32.42 O ATOM 527 CB GLN A 34 16.211 19.219 31.819 1.00 4.15 C ATOM 528 CG GLN A 34 15.023 18.282 31.965 1.00 44.21 C ATOM 529 CD GLN A 34 15.440 16.845 32.213 1.00 11.42 C ATOM 530 OE1 GLN A 34 14.915 16.180 33.107 1.00 2.02 O ATOM 531 NE2 GLN A 34 16.389 16.359 31.423 1.00 44.10 N ATOM 0 H GLN A 34 13.938 20.736 32.529 1.00 62.24 H new ATOM 0 HA GLN A 34 16.704 21.304 31.659 1.00 70.24 H new ATOM 0 HB2 GLN A 34 16.826 18.885 30.983 1.00 4.15 H new ATOM 0 HB3 GLN A 34 16.828 19.153 32.715 1.00 4.15 H new ATOM 0 HG2 GLN A 34 14.396 18.622 32.789 1.00 44.21 H new ATOM 0 HG3 GLN A 34 14.415 18.329 31.062 1.00 44.21 H new ATOM 0 HE21 GLN A 34 16.796 16.946 30.695 1.00 44.10 H new ATOM 0 HE22 GLN A 34 16.711 15.399 31.544 1.00 44.10 H new ATOM 540 N LEU A 35 15.991 21.394 29.283 1.00 20.01 N ATOM 541 CA LEU A 35 15.531 21.608 27.915 1.00 21.15 C ATOM 542 C LEU A 35 16.692 21.996 27.006 1.00 60.53 C ATOM 543 O LEU A 35 17.805 22.239 27.471 1.00 11.10 O ATOM 544 CB LEU A 35 14.456 22.696 27.883 1.00 50.43 C ATOM 545 CG LEU A 35 14.668 23.877 28.830 1.00 14.12 C ATOM 546 CD1 LEU A 35 15.942 24.627 28.474 1.00 74.23 C ATOM 547 CD2 LEU A 35 13.468 24.813 28.794 1.00 44.03 C ATOM 0 H LEU A 35 16.948 21.700 29.459 1.00 20.01 H new ATOM 0 HA LEU A 35 15.104 20.674 27.549 1.00 21.15 H new ATOM 0 HB2 LEU A 35 14.386 23.080 26.865 1.00 50.43 H new ATOM 0 HB3 LEU A 35 13.496 22.237 28.117 1.00 50.43 H new ATOM 0 HG LEU A 35 14.771 23.489 29.844 1.00 14.12 H new ATOM 0 HD11 LEU A 35 16.075 25.464 29.159 1.00 74.23 H new ATOM 0 HD12 LEU A 35 16.795 23.953 28.554 1.00 74.23 H new ATOM 0 HD13 LEU A 35 15.870 25.002 27.453 1.00 74.23 H new ATOM 0 HD21 LEU A 35 13.637 25.648 29.474 1.00 44.03 H new ATOM 0 HD22 LEU A 35 13.333 25.192 27.781 1.00 44.03 H new ATOM 0 HD23 LEU A 35 12.574 24.270 29.101 1.00 44.03 H new ATOM 559 N ARG A 36 16.423 22.053 25.705 1.00 53.12 N ATOM 560 CA ARG A 36 17.445 22.412 24.728 1.00 14.25 C ATOM 561 C ARG A 36 16.809 22.915 23.437 1.00 52.34 C ATOM 562 O ARG A 36 16.206 22.147 22.688 1.00 63.44 O ATOM 563 CB ARG A 36 18.344 21.209 24.433 1.00 13.12 C ATOM 564 CG ARG A 36 19.678 21.253 25.160 1.00 74.22 C ATOM 565 CD ARG A 36 20.502 22.460 24.739 1.00 71.24 C ATOM 566 NE ARG A 36 20.721 23.387 25.846 1.00 34.20 N ATOM 567 CZ ARG A 36 21.689 24.297 25.862 1.00 73.44 C ATOM 568 NH1 ARG A 36 22.522 24.402 24.836 1.00 51.20 N ATOM 569 NH2 ARG A 36 21.824 25.105 26.906 1.00 62.01 N ATOM 0 H ARG A 36 15.506 21.855 25.303 1.00 53.12 H new ATOM 0 HA ARG A 36 18.051 23.214 25.150 1.00 14.25 H new ATOM 0 HB2 ARG A 36 17.818 20.296 24.712 1.00 13.12 H new ATOM 0 HB3 ARG A 36 18.526 21.157 23.360 1.00 13.12 H new ATOM 0 HG2 ARG A 36 19.506 21.286 26.236 1.00 74.22 H new ATOM 0 HG3 ARG A 36 20.236 20.340 24.954 1.00 74.22 H new ATOM 0 HD2 ARG A 36 21.464 22.125 24.351 1.00 71.24 H new ATOM 0 HD3 ARG A 36 19.995 22.980 23.926 1.00 71.24 H new ATOM 0 HE ARG A 36 20.097 23.333 26.651 1.00 34.20 H new ATOM 0 HH11 ARG A 36 22.421 23.783 24.031 1.00 51.20 H new ATOM 0 HH12 ARG A 36 23.264 25.102 24.851 1.00 51.20 H new ATOM 0 HH21 ARG A 36 21.184 25.028 27.697 1.00 62.01 H new ATOM 0 HH22 ARG A 36 22.567 25.803 26.918 1.00 62.01 H new ATOM 583 N LYS A 37 16.948 24.212 23.180 1.00 2.33 N ATOM 584 CA LYS A 37 16.389 24.819 21.979 1.00 41.42 C ATOM 585 C LYS A 37 17.488 25.427 21.114 1.00 51.54 C ATOM 586 O LYS A 37 17.770 26.622 21.199 1.00 0.15 O ATOM 587 CB LYS A 37 15.368 25.895 22.355 1.00 72.35 C ATOM 588 CG LYS A 37 14.346 25.433 23.379 1.00 14.13 C ATOM 589 CD LYS A 37 14.793 25.756 24.795 1.00 23.44 C ATOM 590 CE LYS A 37 14.317 27.134 25.228 1.00 22.03 C ATOM 591 NZ LYS A 37 15.064 27.629 26.418 1.00 35.41 N ATOM 0 H LYS A 37 17.444 24.863 23.789 1.00 2.33 H new ATOM 0 HA LYS A 37 15.891 24.037 21.406 1.00 41.42 H new ATOM 0 HB2 LYS A 37 15.896 26.764 22.748 1.00 72.35 H new ATOM 0 HB3 LYS A 37 14.846 26.219 21.455 1.00 72.35 H new ATOM 0 HG2 LYS A 37 13.388 25.913 23.180 1.00 14.13 H new ATOM 0 HG3 LYS A 37 14.191 24.359 23.281 1.00 14.13 H new ATOM 0 HD2 LYS A 37 14.405 25.003 25.481 1.00 23.44 H new ATOM 0 HD3 LYS A 37 15.880 25.710 24.854 1.00 23.44 H new ATOM 0 HE2 LYS A 37 14.440 27.837 24.404 1.00 22.03 H new ATOM 0 HE3 LYS A 37 13.252 27.095 25.458 1.00 22.03 H new ATOM 0 HZ1 LYS A 37 14.711 28.571 26.683 1.00 35.41 H new ATOM 0 HZ2 LYS A 37 14.926 26.972 27.212 1.00 35.41 H new ATOM 0 HZ3 LYS A 37 16.077 27.690 26.191 1.00 35.41 H new ATOM 605 N GLY A 38 18.107 24.596 20.280 1.00 53.11 N ATOM 606 CA GLY A 38 19.168 25.071 19.411 1.00 72.13 C ATOM 607 C GLY A 38 19.623 24.016 18.421 1.00 21.31 C ATOM 608 O GLY A 38 19.973 22.902 18.809 1.00 34.35 O ATOM 0 H GLY A 38 17.892 23.603 20.191 1.00 53.11 H new ATOM 0 HA2 GLY A 38 18.822 25.950 18.867 1.00 72.13 H new ATOM 0 HA3 GLY A 38 20.017 25.386 20.018 1.00 72.13 H new ATOM 612 N ALA A 39 19.617 24.367 17.140 1.00 31.41 N ATOM 613 CA ALA A 39 20.032 23.442 16.093 1.00 50.01 C ATOM 614 C ALA A 39 21.514 23.102 16.217 1.00 23.43 C ATOM 615 O ALA A 39 21.893 21.931 16.216 1.00 70.24 O ATOM 616 CB ALA A 39 19.738 24.032 14.721 1.00 64.41 C ATOM 0 H ALA A 39 19.329 25.285 16.802 1.00 31.41 H new ATOM 0 HA ALA A 39 19.463 22.520 16.210 1.00 50.01 H new ATOM 0 HB1 ALA A 39 20.053 23.331 13.948 1.00 64.41 H new ATOM 0 HB2 ALA A 39 18.668 24.219 14.627 1.00 64.41 H new ATOM 0 HB3 ALA A 39 20.282 24.969 14.604 1.00 64.41 H new ATOM 622 N ASN A 40 22.346 24.132 16.323 1.00 13.04 N ATOM 623 CA ASN A 40 23.786 23.941 16.448 1.00 50.21 C ATOM 624 C ASN A 40 24.157 23.502 17.861 1.00 3.24 C ATOM 625 O ASN A 40 25.120 22.762 18.058 1.00 11.32 O ATOM 626 CB ASN A 40 24.526 25.232 16.093 1.00 52.24 C ATOM 627 CG ASN A 40 24.878 25.310 14.620 1.00 52.33 C ATOM 628 OD1 ASN A 40 24.247 24.664 13.783 1.00 33.34 O ATOM 629 ND2 ASN A 40 25.892 26.104 14.295 1.00 50.55 N ATOM 0 H ASN A 40 22.048 25.108 16.325 1.00 13.04 H new ATOM 0 HA ASN A 40 24.084 23.156 15.753 1.00 50.21 H new ATOM 0 HB2 ASN A 40 23.907 26.088 16.362 1.00 52.24 H new ATOM 0 HB3 ASN A 40 25.438 25.300 16.686 1.00 52.24 H new ATOM 0 HD21 ASN A 40 26.175 26.196 13.319 1.00 50.55 H new ATOM 0 HD22 ASN A 40 26.388 26.621 15.021 1.00 50.55 H new ATOM 636 N GLU A 41 23.385 23.963 18.840 1.00 64.12 N ATOM 637 CA GLU A 41 23.633 23.617 20.235 1.00 72.41 C ATOM 638 C GLU A 41 23.219 22.176 20.521 1.00 55.14 C ATOM 639 O GLU A 41 23.768 21.527 21.409 1.00 43.52 O ATOM 640 CB GLU A 41 22.875 24.570 21.162 1.00 45.00 C ATOM 641 CG GLU A 41 23.434 25.982 21.172 1.00 55.30 C ATOM 642 CD GLU A 41 24.844 26.048 21.728 1.00 60.42 C ATOM 643 OE1 GLU A 41 25.072 25.503 22.828 1.00 51.12 O ATOM 644 OE2 GLU A 41 25.717 26.645 21.064 1.00 50.10 O ATOM 0 H GLU A 41 22.583 24.576 18.693 1.00 64.12 H new ATOM 0 HA GLU A 41 24.703 23.713 20.422 1.00 72.41 H new ATOM 0 HB2 GLU A 41 21.829 24.605 20.857 1.00 45.00 H new ATOM 0 HB3 GLU A 41 22.898 24.172 22.176 1.00 45.00 H new ATOM 0 HG2 GLU A 41 23.429 26.378 20.156 1.00 55.30 H new ATOM 0 HG3 GLU A 41 22.783 26.622 21.767 1.00 55.30 H new ATOM 651 N ALA A 42 22.247 21.685 19.759 1.00 24.35 N ATOM 652 CA ALA A 42 21.761 20.321 19.929 1.00 31.33 C ATOM 653 C ALA A 42 22.903 19.315 19.840 1.00 43.03 C ATOM 654 O ALA A 42 22.831 18.225 20.408 1.00 51.24 O ATOM 655 CB ALA A 42 20.697 20.007 18.887 1.00 32.25 C ATOM 0 H ALA A 42 21.781 22.210 19.019 1.00 24.35 H new ATOM 0 HA ALA A 42 21.318 20.241 20.922 1.00 31.33 H new ATOM 0 HB1 ALA A 42 20.343 18.986 19.025 1.00 32.25 H new ATOM 0 HB2 ALA A 42 19.862 20.699 18.999 1.00 32.25 H new ATOM 0 HB3 ALA A 42 21.123 20.111 17.889 1.00 32.25 H new ATOM 661 N THR A 43 23.959 19.687 19.122 1.00 31.13 N ATOM 662 CA THR A 43 25.117 18.817 18.957 1.00 72.50 C ATOM 663 C THR A 43 25.885 18.671 20.265 1.00 65.24 C ATOM 664 O THR A 43 26.494 17.633 20.526 1.00 53.44 O ATOM 665 CB THR A 43 26.070 19.351 17.871 1.00 64.43 C ATOM 666 OG1 THR A 43 25.326 20.047 16.865 1.00 10.54 O ATOM 667 CG2 THR A 43 26.853 18.214 17.233 1.00 64.12 C ATOM 0 H THR A 43 24.036 20.586 18.645 1.00 31.13 H new ATOM 0 HA THR A 43 24.739 17.842 18.650 1.00 72.50 H new ATOM 0 HB THR A 43 26.774 20.037 18.342 1.00 64.43 H new ATOM 0 HG1 THR A 43 25.241 20.991 17.115 1.00 10.54 H new ATOM 0 HG21 THR A 43 27.519 18.615 16.469 1.00 64.12 H new ATOM 0 HG22 THR A 43 27.441 17.704 17.996 1.00 64.12 H new ATOM 0 HG23 THR A 43 26.161 17.507 16.776 1.00 64.12 H new ATOM 675 N LYS A 44 25.852 19.715 21.085 1.00 1.22 N ATOM 676 CA LYS A 44 26.544 19.703 22.369 1.00 52.30 C ATOM 677 C LYS A 44 26.049 18.555 23.243 1.00 43.42 C ATOM 678 O LYS A 44 26.840 17.753 23.739 1.00 41.43 O ATOM 679 CB LYS A 44 26.339 21.035 23.094 1.00 40.22 C ATOM 680 CG LYS A 44 27.060 22.201 22.439 1.00 40.52 C ATOM 681 CD LYS A 44 28.509 22.286 22.891 1.00 71.31 C ATOM 682 CE LYS A 44 29.375 22.986 21.856 1.00 63.34 C ATOM 683 NZ LYS A 44 30.698 22.321 21.699 1.00 63.21 N ATOM 0 H LYS A 44 25.353 20.581 20.884 1.00 1.22 H new ATOM 0 HA LYS A 44 27.608 19.559 22.179 1.00 52.30 H new ATOM 0 HB2 LYS A 44 25.272 21.256 23.136 1.00 40.22 H new ATOM 0 HB3 LYS A 44 26.685 20.936 24.123 1.00 40.22 H new ATOM 0 HG2 LYS A 44 27.022 22.091 21.355 1.00 40.52 H new ATOM 0 HG3 LYS A 44 26.547 23.131 22.683 1.00 40.52 H new ATOM 0 HD2 LYS A 44 28.565 22.824 23.838 1.00 71.31 H new ATOM 0 HD3 LYS A 44 28.895 21.283 23.071 1.00 71.31 H new ATOM 0 HE2 LYS A 44 28.858 22.996 20.897 1.00 63.34 H new ATOM 0 HE3 LYS A 44 29.523 24.025 22.149 1.00 63.34 H new ATOM 0 HZ1 LYS A 44 31.259 22.828 20.985 1.00 63.21 H new ATOM 0 HZ2 LYS A 44 31.203 22.333 22.608 1.00 63.21 H new ATOM 0 HZ3 LYS A 44 30.558 21.337 21.394 1.00 63.21 H new ATOM 697 N THR A 45 24.734 18.481 23.426 1.00 2.32 N ATOM 698 CA THR A 45 24.135 17.431 24.240 1.00 22.10 C ATOM 699 C THR A 45 24.593 16.051 23.782 1.00 43.22 C ATOM 700 O THR A 45 25.184 15.294 24.554 1.00 14.12 O ATOM 701 CB THR A 45 22.597 17.491 24.189 1.00 32.45 C ATOM 702 OG1 THR A 45 22.167 17.966 22.909 1.00 74.22 O ATOM 703 CG2 THR A 45 22.054 18.400 25.282 1.00 41.13 C ATOM 0 H THR A 45 24.064 19.135 23.022 1.00 2.32 H new ATOM 0 HA THR A 45 24.465 17.599 25.265 1.00 22.10 H new ATOM 0 HB THR A 45 22.211 16.485 24.351 1.00 32.45 H new ATOM 0 HG1 THR A 45 22.888 17.846 22.256 1.00 74.22 H new ATOM 0 HG21 THR A 45 20.966 18.426 25.226 1.00 41.13 H new ATOM 0 HG22 THR A 45 22.358 18.019 26.257 1.00 41.13 H new ATOM 0 HG23 THR A 45 22.449 19.407 25.147 1.00 41.13 H new ATOM 711 N LEU A 46 24.318 15.728 22.523 1.00 15.24 N ATOM 712 CA LEU A 46 24.704 14.439 21.962 1.00 32.01 C ATOM 713 C LEU A 46 26.212 14.231 22.060 1.00 4.33 C ATOM 714 O LEU A 46 26.685 13.102 22.184 1.00 15.42 O ATOM 715 CB LEU A 46 24.259 14.342 20.501 1.00 1.40 C ATOM 716 CG LEU A 46 23.684 12.995 20.063 1.00 34.01 C ATOM 717 CD1 LEU A 46 23.398 12.998 18.569 1.00 2.02 C ATOM 718 CD2 LEU A 46 24.638 11.865 20.423 1.00 13.44 C ATOM 0 H LEU A 46 23.829 16.342 21.871 1.00 15.24 H new ATOM 0 HA LEU A 46 24.210 13.658 22.539 1.00 32.01 H new ATOM 0 HB2 LEU A 46 23.509 15.111 20.319 1.00 1.40 H new ATOM 0 HB3 LEU A 46 25.114 14.574 19.866 1.00 1.40 H new ATOM 0 HG LEU A 46 22.745 12.833 20.592 1.00 34.01 H new ATOM 0 HD11 LEU A 46 22.989 12.031 18.275 1.00 2.02 H new ATOM 0 HD12 LEU A 46 22.677 13.782 18.338 1.00 2.02 H new ATOM 0 HD13 LEU A 46 24.323 13.183 18.022 1.00 2.02 H new ATOM 0 HD21 LEU A 46 24.212 10.914 20.104 1.00 13.44 H new ATOM 0 HD22 LEU A 46 25.593 12.022 19.922 1.00 13.44 H new ATOM 0 HD23 LEU A 46 24.793 11.849 21.502 1.00 13.44 H new ATOM 730 N ASN A 47 26.960 15.328 22.008 1.00 64.34 N ATOM 731 CA ASN A 47 28.415 15.266 22.093 1.00 64.31 C ATOM 732 C ASN A 47 28.865 14.997 23.526 1.00 13.12 C ATOM 733 O ASN A 47 29.943 14.450 23.756 1.00 42.31 O ATOM 734 CB ASN A 47 29.032 16.572 21.589 1.00 42.43 C ATOM 735 CG ASN A 47 29.256 16.564 20.089 1.00 34.41 C ATOM 736 OD1 ASN A 47 28.835 17.482 19.383 1.00 42.41 O ATOM 737 ND2 ASN A 47 29.921 15.526 19.595 1.00 32.42 N ATOM 0 H ASN A 47 26.583 16.270 21.907 1.00 64.34 H new ATOM 0 HA ASN A 47 28.757 14.444 21.464 1.00 64.31 H new ATOM 0 HB2 ASN A 47 28.379 17.404 21.852 1.00 42.43 H new ATOM 0 HB3 ASN A 47 29.983 16.741 22.095 1.00 42.43 H new ATOM 0 HD21 ASN A 47 30.102 15.466 18.593 1.00 32.42 H new ATOM 0 HD22 ASN A 47 30.251 14.789 20.218 1.00 32.42 H new ATOM 744 N ARG A 48 28.030 15.385 24.484 1.00 22.25 N ATOM 745 CA ARG A 48 28.342 15.186 25.895 1.00 53.11 C ATOM 746 C ARG A 48 27.970 13.775 26.341 1.00 65.43 C ATOM 747 O ARG A 48 28.528 13.250 27.303 1.00 43.34 O ATOM 748 CB ARG A 48 27.602 16.215 26.752 1.00 1.54 C ATOM 749 CG ARG A 48 28.408 17.474 27.024 1.00 11.25 C ATOM 750 CD ARG A 48 28.459 17.793 28.510 1.00 13.14 C ATOM 751 NE ARG A 48 29.289 18.962 28.791 1.00 64.51 N ATOM 752 CZ ARG A 48 29.427 19.492 30.001 1.00 21.50 C ATOM 753 NH1 ARG A 48 28.792 18.961 31.038 1.00 65.24 N ATOM 754 NH2 ARG A 48 30.201 20.554 30.177 1.00 13.12 N ATOM 0 H ARG A 48 27.133 15.838 24.310 1.00 22.25 H new ATOM 0 HA ARG A 48 29.416 15.318 26.026 1.00 53.11 H new ATOM 0 HB2 ARG A 48 26.673 16.490 26.253 1.00 1.54 H new ATOM 0 HB3 ARG A 48 27.330 15.756 27.702 1.00 1.54 H new ATOM 0 HG2 ARG A 48 29.421 17.348 26.643 1.00 11.25 H new ATOM 0 HG3 ARG A 48 27.967 18.313 26.486 1.00 11.25 H new ATOM 0 HD2 ARG A 48 27.448 17.969 28.878 1.00 13.14 H new ATOM 0 HD3 ARG A 48 28.850 16.932 29.052 1.00 13.14 H new ATOM 0 HE ARG A 48 29.790 19.395 28.015 1.00 64.51 H new ATOM 0 HH11 ARG A 48 28.196 18.144 30.907 1.00 65.24 H new ATOM 0 HH12 ARG A 48 28.900 19.370 31.966 1.00 65.24 H new ATOM 0 HH21 ARG A 48 30.691 20.965 29.383 1.00 13.12 H new ATOM 0 HH22 ARG A 48 30.306 20.960 31.107 1.00 13.12 H new ATOM 768 N GLY A 49 27.023 13.167 25.633 1.00 22.43 N ATOM 769 CA GLY A 49 26.592 11.823 25.972 1.00 1.20 C ATOM 770 C GLY A 49 25.370 11.814 26.868 1.00 24.44 C ATOM 771 O GLY A 49 25.304 11.050 27.832 1.00 53.53 O ATOM 0 H GLY A 49 26.547 13.581 24.831 1.00 22.43 H new ATOM 0 HA2 GLY A 49 26.371 11.274 25.057 1.00 1.20 H new ATOM 0 HA3 GLY A 49 27.407 11.298 26.470 1.00 1.20 H new ATOM 775 N ILE A 50 24.399 12.664 26.551 1.00 51.03 N ATOM 776 CA ILE A 50 23.174 12.752 27.336 1.00 62.33 C ATOM 777 C ILE A 50 21.971 13.044 26.445 1.00 21.34 C ATOM 778 O ILE A 50 20.923 13.479 26.923 1.00 74.04 O ATOM 779 CB ILE A 50 23.274 13.843 28.418 1.00 44.35 C ATOM 780 CG1 ILE A 50 23.604 15.194 27.781 1.00 12.34 C ATOM 781 CG2 ILE A 50 24.325 13.468 29.451 1.00 44.50 C ATOM 782 CD1 ILE A 50 22.382 15.965 27.332 1.00 62.31 C ATOM 0 H ILE A 50 24.437 13.302 25.756 1.00 51.03 H new ATOM 0 HA ILE A 50 23.040 11.785 27.820 1.00 62.33 H new ATOM 0 HB ILE A 50 22.311 13.925 28.921 1.00 44.35 H new ATOM 0 HG12 ILE A 50 24.162 15.798 28.497 1.00 12.34 H new ATOM 0 HG13 ILE A 50 24.257 15.032 26.923 1.00 12.34 H new ATOM 0 HG21 ILE A 50 24.384 14.249 30.209 1.00 44.50 H new ATOM 0 HG22 ILE A 50 24.051 12.524 29.922 1.00 44.50 H new ATOM 0 HG23 ILE A 50 25.294 13.362 28.963 1.00 44.50 H new ATOM 0 HD11 ILE A 50 22.691 16.912 26.890 1.00 62.31 H new ATOM 0 HD12 ILE A 50 21.835 15.381 26.592 1.00 62.31 H new ATOM 0 HD13 ILE A 50 21.738 16.158 28.190 1.00 62.31 H new ATOM 794 N SER A 51 22.129 12.800 25.148 1.00 20.55 N ATOM 795 CA SER A 51 21.056 13.039 24.189 1.00 24.54 C ATOM 796 C SER A 51 20.194 11.792 24.016 1.00 44.40 C ATOM 797 O SER A 51 20.687 10.733 23.628 1.00 15.33 O ATOM 798 CB SER A 51 21.635 13.463 22.839 1.00 75.12 C ATOM 799 OG SER A 51 20.637 13.464 21.833 1.00 11.12 O ATOM 0 H SER A 51 22.989 12.437 24.737 1.00 20.55 H new ATOM 0 HA SER A 51 20.429 13.842 24.576 1.00 24.54 H new ATOM 0 HB2 SER A 51 22.071 14.458 22.924 1.00 75.12 H new ATOM 0 HB3 SER A 51 22.440 12.785 22.556 1.00 75.12 H new ATOM 0 HG SER A 51 20.928 14.025 21.084 1.00 11.12 H new ATOM 805 N GLU A 52 18.904 11.926 24.307 1.00 54.01 N ATOM 806 CA GLU A 52 17.974 10.811 24.185 1.00 65.51 C ATOM 807 C GLU A 52 17.352 10.771 22.791 1.00 21.03 C ATOM 808 O GLU A 52 17.293 9.718 22.155 1.00 34.12 O ATOM 809 CB GLU A 52 16.874 10.916 25.243 1.00 22.10 C ATOM 810 CG GLU A 52 17.237 10.261 26.565 1.00 13.10 C ATOM 811 CD GLU A 52 18.662 10.560 26.992 1.00 64.14 C ATOM 812 OE1 GLU A 52 18.951 11.730 27.317 1.00 74.40 O ATOM 813 OE2 GLU A 52 19.488 9.623 27.000 1.00 70.25 O ATOM 0 H GLU A 52 18.480 12.796 24.629 1.00 54.01 H new ATOM 0 HA GLU A 52 18.532 9.888 24.342 1.00 65.51 H new ATOM 0 HB2 GLU A 52 16.649 11.968 25.418 1.00 22.10 H new ATOM 0 HB3 GLU A 52 15.965 10.456 24.857 1.00 22.10 H new ATOM 0 HG2 GLU A 52 16.550 10.606 27.338 1.00 13.10 H new ATOM 0 HG3 GLU A 52 17.106 9.182 26.480 1.00 13.10 H new ATOM 820 N PHE A 53 16.888 11.926 22.324 1.00 21.03 N ATOM 821 CA PHE A 53 16.269 12.024 21.008 1.00 23.33 C ATOM 822 C PHE A 53 15.951 13.476 20.663 1.00 75.22 C ATOM 823 O PHE A 53 15.599 14.270 21.537 1.00 64.44 O ATOM 824 CB PHE A 53 14.990 11.185 20.958 1.00 4.34 C ATOM 825 CG PHE A 53 13.844 11.793 21.715 1.00 63.12 C ATOM 826 CD1 PHE A 53 13.781 11.698 23.095 1.00 33.04 C ATOM 827 CD2 PHE A 53 12.831 12.459 21.046 1.00 53.22 C ATOM 828 CE1 PHE A 53 12.727 12.257 23.795 1.00 60.21 C ATOM 829 CE2 PHE A 53 11.775 13.020 21.739 1.00 31.41 C ATOM 830 CZ PHE A 53 11.723 12.920 23.116 1.00 62.13 C ATOM 0 H PHE A 53 16.929 12.806 22.838 1.00 21.03 H new ATOM 0 HA PHE A 53 16.976 11.640 20.273 1.00 23.33 H new ATOM 0 HB2 PHE A 53 14.696 11.048 19.918 1.00 4.34 H new ATOM 0 HB3 PHE A 53 15.198 10.195 21.364 1.00 4.34 H new ATOM 0 HD1 PHE A 53 14.564 11.182 23.631 1.00 33.04 H new ATOM 0 HD2 PHE A 53 12.867 12.541 19.970 1.00 53.22 H new ATOM 0 HE1 PHE A 53 12.689 12.175 24.871 1.00 60.21 H new ATOM 0 HE2 PHE A 53 10.991 13.536 21.205 1.00 31.41 H new ATOM 0 HZ PHE A 53 10.900 13.359 23.660 1.00 62.13 H new ATOM 840 N ILE A 54 16.079 13.816 19.385 1.00 11.11 N ATOM 841 CA ILE A 54 15.806 15.172 18.925 1.00 21.43 C ATOM 842 C ILE A 54 14.650 15.192 17.930 1.00 3.41 C ATOM 843 O ILE A 54 14.330 14.176 17.313 1.00 0.04 O ATOM 844 CB ILE A 54 17.047 15.804 18.267 1.00 20.22 C ATOM 845 CG1 ILE A 54 17.658 14.839 17.249 1.00 53.22 C ATOM 846 CG2 ILE A 54 18.071 16.185 19.325 1.00 51.33 C ATOM 847 CD1 ILE A 54 18.651 15.496 16.315 1.00 53.21 C ATOM 0 H ILE A 54 16.370 13.171 18.650 1.00 11.11 H new ATOM 0 HA ILE A 54 15.535 15.756 19.805 1.00 21.43 H new ATOM 0 HB ILE A 54 16.741 16.710 17.743 1.00 20.22 H new ATOM 0 HG12 ILE A 54 18.154 14.028 17.782 1.00 53.22 H new ATOM 0 HG13 ILE A 54 16.858 14.391 16.659 1.00 53.22 H new ATOM 0 HG21 ILE A 54 18.942 16.630 18.844 1.00 51.33 H new ATOM 0 HG22 ILE A 54 17.630 16.904 20.016 1.00 51.33 H new ATOM 0 HG23 ILE A 54 18.375 15.294 19.874 1.00 51.33 H new ATOM 0 HD11 ILE A 54 19.044 14.753 15.621 1.00 53.21 H new ATOM 0 HD12 ILE A 54 18.155 16.289 15.755 1.00 53.21 H new ATOM 0 HD13 ILE A 54 19.471 15.920 16.895 1.00 53.21 H new ATOM 859 N VAL A 55 14.030 16.357 17.776 1.00 32.43 N ATOM 860 CA VAL A 55 12.911 16.511 16.853 1.00 20.15 C ATOM 861 C VAL A 55 13.162 17.651 15.872 1.00 72.52 C ATOM 862 O VAL A 55 13.744 18.675 16.229 1.00 24.04 O ATOM 863 CB VAL A 55 11.594 16.778 17.606 1.00 24.11 C ATOM 864 CG1 VAL A 55 10.415 16.752 16.646 1.00 2.21 C ATOM 865 CG2 VAL A 55 11.405 15.761 18.723 1.00 71.12 C ATOM 0 H VAL A 55 14.283 17.208 18.278 1.00 32.43 H new ATOM 0 HA VAL A 55 12.823 15.574 16.303 1.00 20.15 H new ATOM 0 HB VAL A 55 11.645 17.771 18.053 1.00 24.11 H new ATOM 0 HG11 VAL A 55 9.494 16.943 17.196 1.00 2.21 H new ATOM 0 HG12 VAL A 55 10.549 17.521 15.885 1.00 2.21 H new ATOM 0 HG13 VAL A 55 10.357 15.774 16.168 1.00 2.21 H new ATOM 0 HG21 VAL A 55 10.470 15.964 19.245 1.00 71.12 H new ATOM 0 HG22 VAL A 55 11.374 14.757 18.300 1.00 71.12 H new ATOM 0 HG23 VAL A 55 12.236 15.833 19.425 1.00 71.12 H new ATOM 875 N MET A 56 12.718 17.466 14.634 1.00 62.25 N ATOM 876 CA MET A 56 12.892 18.480 13.600 1.00 41.30 C ATOM 877 C MET A 56 11.630 18.619 12.755 1.00 61.40 C ATOM 878 O MET A 56 11.151 17.646 12.174 1.00 41.14 O ATOM 879 CB MET A 56 14.083 18.128 12.705 1.00 22.05 C ATOM 880 CG MET A 56 15.408 18.080 13.447 1.00 4.35 C ATOM 881 SD MET A 56 16.375 16.611 13.050 1.00 23.50 S ATOM 882 CE MET A 56 16.028 15.582 14.475 1.00 12.52 C ATOM 0 H MET A 56 12.235 16.624 14.322 1.00 62.25 H new ATOM 0 HA MET A 56 13.085 19.434 14.091 1.00 41.30 H new ATOM 0 HB2 MET A 56 13.902 17.160 12.238 1.00 22.05 H new ATOM 0 HB3 MET A 56 14.152 18.861 11.902 1.00 22.05 H new ATOM 0 HG2 MET A 56 15.989 18.969 13.203 1.00 4.35 H new ATOM 0 HG3 MET A 56 15.220 18.107 14.520 1.00 4.35 H new ATOM 0 HE1 MET A 56 16.778 14.794 14.546 1.00 12.52 H new ATOM 0 HE2 MET A 56 16.054 16.191 15.379 1.00 12.52 H new ATOM 0 HE3 MET A 56 15.040 15.134 14.368 1.00 12.52 H new ATOM 892 N ALA A 57 11.096 19.834 12.693 1.00 22.51 N ATOM 893 CA ALA A 57 9.890 20.099 11.918 1.00 72.10 C ATOM 894 C ALA A 57 10.123 19.840 10.433 1.00 24.14 C ATOM 895 O ALA A 57 11.134 20.259 9.872 1.00 74.11 O ATOM 896 CB ALA A 57 9.425 21.531 12.139 1.00 54.03 C ATOM 0 H ALA A 57 11.479 20.650 13.170 1.00 22.51 H new ATOM 0 HA ALA A 57 9.111 19.418 12.261 1.00 72.10 H new ATOM 0 HB1 ALA A 57 8.524 21.715 11.554 1.00 54.03 H new ATOM 0 HB2 ALA A 57 9.209 21.684 13.196 1.00 54.03 H new ATOM 0 HB3 ALA A 57 10.208 22.221 11.825 1.00 54.03 H new ATOM 902 N ALA A 58 9.181 19.145 9.804 1.00 71.13 N ATOM 903 CA ALA A 58 9.283 18.831 8.385 1.00 43.43 C ATOM 904 C ALA A 58 9.422 20.100 7.550 1.00 44.24 C ATOM 905 O ALA A 58 10.006 20.081 6.467 1.00 43.41 O ATOM 906 CB ALA A 58 8.072 18.029 7.933 1.00 63.21 C ATOM 0 H ALA A 58 8.338 18.789 10.255 1.00 71.13 H new ATOM 0 HA ALA A 58 10.179 18.229 8.235 1.00 43.43 H new ATOM 0 HB1 ALA A 58 8.162 17.802 6.871 1.00 63.21 H new ATOM 0 HB2 ALA A 58 8.019 17.099 8.500 1.00 63.21 H new ATOM 0 HB3 ALA A 58 7.166 18.610 8.104 1.00 63.21 H new ATOM 912 N ASP A 59 8.880 21.199 8.061 1.00 74.33 N ATOM 913 CA ASP A 59 8.943 22.478 7.362 1.00 3.31 C ATOM 914 C ASP A 59 9.740 23.499 8.168 1.00 30.14 C ATOM 915 O ASP A 59 9.427 24.689 8.164 1.00 20.23 O ATOM 916 CB ASP A 59 7.534 23.008 7.096 1.00 73.43 C ATOM 917 CG ASP A 59 6.790 22.181 6.065 1.00 12.14 C ATOM 918 OD1 ASP A 59 6.877 20.937 6.127 1.00 31.14 O ATOM 919 OD2 ASP A 59 6.119 22.778 5.197 1.00 11.45 O ATOM 0 H ASP A 59 8.392 21.231 8.956 1.00 74.33 H new ATOM 0 HA ASP A 59 9.449 22.319 6.410 1.00 3.31 H new ATOM 0 HB2 ASP A 59 6.969 23.015 8.028 1.00 73.43 H new ATOM 0 HB3 ASP A 59 7.596 24.041 6.753 1.00 73.43 H new ATOM 924 N ALA A 60 10.770 23.025 8.861 1.00 0.21 N ATOM 925 CA ALA A 60 11.613 23.896 9.671 1.00 33.32 C ATOM 926 C ALA A 60 12.928 24.203 8.963 1.00 21.45 C ATOM 927 O ALA A 60 13.539 23.320 8.363 1.00 4.41 O ATOM 928 CB ALA A 60 11.877 23.261 11.029 1.00 71.42 C ATOM 0 H ALA A 60 11.041 22.042 8.878 1.00 0.21 H new ATOM 0 HA ALA A 60 11.083 24.837 9.819 1.00 33.32 H new ATOM 0 HB1 ALA A 60 12.508 23.922 11.623 1.00 71.42 H new ATOM 0 HB2 ALA A 60 10.931 23.101 11.546 1.00 71.42 H new ATOM 0 HB3 ALA A 60 12.382 22.305 10.892 1.00 71.42 H new ATOM 934 N GLU A 61 13.355 25.460 9.037 1.00 63.31 N ATOM 935 CA GLU A 61 14.597 25.881 8.401 1.00 13.30 C ATOM 936 C GLU A 61 15.507 26.591 9.400 1.00 62.32 C ATOM 937 O GLU A 61 15.071 27.056 10.453 1.00 32.40 O ATOM 938 CB GLU A 61 14.302 26.805 7.218 1.00 52.54 C ATOM 939 CG GLU A 61 14.384 26.112 5.868 1.00 22.11 C ATOM 940 CD GLU A 61 15.041 26.973 4.808 1.00 14.11 C ATOM 941 OE1 GLU A 61 16.285 26.934 4.699 1.00 22.21 O ATOM 942 OE2 GLU A 61 14.313 27.688 4.087 1.00 23.53 O ATOM 0 H GLU A 61 12.860 26.203 9.530 1.00 63.31 H new ATOM 0 HA GLU A 61 15.110 24.990 8.038 1.00 13.30 H new ATOM 0 HB2 GLU A 61 13.305 27.229 7.339 1.00 52.54 H new ATOM 0 HB3 GLU A 61 15.006 27.637 7.233 1.00 52.54 H new ATOM 0 HG2 GLU A 61 14.944 25.183 5.974 1.00 22.11 H new ATOM 0 HG3 GLU A 61 13.380 25.843 5.541 1.00 22.11 H new ATOM 949 N PRO A 62 16.802 26.675 9.064 1.00 44.42 N ATOM 950 CA PRO A 62 17.334 26.123 7.814 1.00 74.02 C ATOM 951 C PRO A 62 17.329 24.598 7.804 1.00 34.21 C ATOM 952 O PRO A 62 17.449 23.961 8.852 1.00 52.35 O ATOM 953 CB PRO A 62 18.769 26.654 7.773 1.00 21.41 C ATOM 954 CG PRO A 62 19.124 26.895 9.200 1.00 53.24 C ATOM 955 CD PRO A 62 17.849 27.314 9.879 1.00 0.30 C ATOM 0 HA PRO A 62 16.733 26.414 6.952 1.00 74.02 H new ATOM 0 HB2 PRO A 62 19.445 25.933 7.313 1.00 21.41 H new ATOM 0 HB3 PRO A 62 18.835 27.571 7.188 1.00 21.41 H new ATOM 0 HG2 PRO A 62 19.532 25.994 9.658 1.00 53.24 H new ATOM 0 HG3 PRO A 62 19.885 27.670 9.287 1.00 53.24 H new ATOM 0 HD2 PRO A 62 17.815 26.975 10.914 1.00 0.30 H new ATOM 0 HD3 PRO A 62 17.740 28.398 9.895 1.00 0.30 H new ATOM 963 N LEU A 63 17.190 24.019 6.617 1.00 43.54 N ATOM 964 CA LEU A 63 17.171 22.567 6.472 1.00 52.13 C ATOM 965 C LEU A 63 18.579 22.023 6.261 1.00 44.50 C ATOM 966 O LEU A 63 18.901 20.920 6.704 1.00 11.41 O ATOM 967 CB LEU A 63 16.276 22.165 5.299 1.00 35.34 C ATOM 968 CG LEU A 63 14.795 21.962 5.624 1.00 73.23 C ATOM 969 CD1 LEU A 63 13.978 21.860 4.345 1.00 62.11 C ATOM 970 CD2 LEU A 63 14.602 20.722 6.483 1.00 5.32 C ATOM 0 H LEU A 63 17.089 24.532 5.741 1.00 43.54 H new ATOM 0 HA LEU A 63 16.770 22.139 7.391 1.00 52.13 H new ATOM 0 HB2 LEU A 63 16.357 22.931 4.527 1.00 35.34 H new ATOM 0 HB3 LEU A 63 16.664 21.240 4.872 1.00 35.34 H new ATOM 0 HG LEU A 63 14.444 22.827 6.187 1.00 73.23 H new ATOM 0 HD11 LEU A 63 12.927 21.716 4.595 1.00 62.11 H new ATOM 0 HD12 LEU A 63 14.091 22.777 3.767 1.00 62.11 H new ATOM 0 HD13 LEU A 63 14.330 21.014 3.755 1.00 62.11 H new ATOM 0 HD21 LEU A 63 13.542 20.594 6.704 1.00 5.32 H new ATOM 0 HD22 LEU A 63 14.969 19.847 5.947 1.00 5.32 H new ATOM 0 HD23 LEU A 63 15.156 20.835 7.415 1.00 5.32 H new ATOM 982 N GLU A 64 19.416 22.803 5.584 1.00 62.32 N ATOM 983 CA GLU A 64 20.790 22.398 5.316 1.00 2.52 C ATOM 984 C GLU A 64 21.493 21.972 6.602 1.00 65.31 C ATOM 985 O GLU A 64 22.383 21.120 6.583 1.00 32.44 O ATOM 986 CB GLU A 64 21.564 23.542 4.656 1.00 74.21 C ATOM 987 CG GLU A 64 22.140 23.182 3.297 1.00 51.42 C ATOM 988 CD GLU A 64 23.534 23.741 3.088 1.00 64.10 C ATOM 989 OE1 GLU A 64 24.430 23.418 3.896 1.00 72.35 O ATOM 990 OE2 GLU A 64 23.729 24.501 2.116 1.00 32.24 O ATOM 0 H GLU A 64 19.166 23.719 5.211 1.00 62.32 H new ATOM 0 HA GLU A 64 20.763 21.546 4.636 1.00 2.52 H new ATOM 0 HB2 GLU A 64 20.902 24.401 4.545 1.00 74.21 H new ATOM 0 HB3 GLU A 64 22.376 23.849 5.316 1.00 74.21 H new ATOM 0 HG2 GLU A 64 22.168 22.097 3.194 1.00 51.42 H new ATOM 0 HG3 GLU A 64 21.480 23.559 2.515 1.00 51.42 H new ATOM 997 N ILE A 65 21.085 22.568 7.717 1.00 53.13 N ATOM 998 CA ILE A 65 21.675 22.250 9.013 1.00 75.55 C ATOM 999 C ILE A 65 21.056 20.988 9.602 1.00 20.42 C ATOM 1000 O ILE A 65 21.728 20.219 10.291 1.00 31.42 O ATOM 1001 CB ILE A 65 21.497 23.410 10.011 1.00 64.42 C ATOM 1002 CG1 ILE A 65 22.207 24.665 9.500 1.00 74.13 C ATOM 1003 CG2 ILE A 65 22.029 23.014 11.381 1.00 62.20 C ATOM 1004 CD1 ILE A 65 21.990 25.879 10.374 1.00 15.23 C ATOM 0 H ILE A 65 20.349 23.273 7.750 1.00 53.13 H new ATOM 0 HA ILE A 65 22.739 22.086 8.845 1.00 75.55 H new ATOM 0 HB ILE A 65 20.434 23.631 10.105 1.00 64.42 H new ATOM 0 HG12 ILE A 65 23.276 24.465 9.429 1.00 74.13 H new ATOM 0 HG13 ILE A 65 21.857 24.886 8.492 1.00 74.13 H new ATOM 0 HG21 ILE A 65 21.897 23.843 12.076 1.00 62.20 H new ATOM 0 HG22 ILE A 65 21.483 22.144 11.746 1.00 62.20 H new ATOM 0 HG23 ILE A 65 23.089 22.771 11.303 1.00 62.20 H new ATOM 0 HD11 ILE A 65 22.522 26.731 9.951 1.00 15.23 H new ATOM 0 HD12 ILE A 65 20.925 26.105 10.425 1.00 15.23 H new ATOM 0 HD13 ILE A 65 22.366 25.677 11.377 1.00 15.23 H new ATOM 1016 N ILE A 66 19.774 20.778 9.324 1.00 32.32 N ATOM 1017 CA ILE A 66 19.065 19.607 9.824 1.00 44.41 C ATOM 1018 C ILE A 66 19.745 18.318 9.371 1.00 31.11 C ATOM 1019 O ILE A 66 19.612 17.275 10.012 1.00 42.13 O ATOM 1020 CB ILE A 66 17.598 19.592 9.355 1.00 41.24 C ATOM 1021 CG1 ILE A 66 16.899 20.893 9.756 1.00 61.02 C ATOM 1022 CG2 ILE A 66 16.868 18.391 9.937 1.00 2.21 C ATOM 1023 CD1 ILE A 66 16.749 21.063 11.251 1.00 25.11 C ATOM 0 H ILE A 66 19.205 21.404 8.755 1.00 32.32 H new ATOM 0 HA ILE A 66 19.089 19.666 10.912 1.00 44.41 H new ATOM 0 HB ILE A 66 17.580 19.511 8.268 1.00 41.24 H new ATOM 0 HG12 ILE A 66 17.463 21.736 9.357 1.00 61.02 H new ATOM 0 HG13 ILE A 66 15.912 20.923 9.294 1.00 61.02 H new ATOM 0 HG21 ILE A 66 15.833 18.394 9.596 1.00 2.21 H new ATOM 0 HG22 ILE A 66 17.356 17.474 9.607 1.00 2.21 H new ATOM 0 HG23 ILE A 66 16.892 18.443 11.025 1.00 2.21 H new ATOM 0 HD11 ILE A 66 16.245 22.007 11.461 1.00 25.11 H new ATOM 0 HD12 ILE A 66 16.159 20.239 11.653 1.00 25.11 H new ATOM 0 HD13 ILE A 66 17.734 21.066 11.718 1.00 25.11 H new ATOM 1035 N LEU A 67 20.476 18.399 8.265 1.00 31.52 N ATOM 1036 CA LEU A 67 21.179 17.241 7.726 1.00 63.02 C ATOM 1037 C LEU A 67 22.614 17.188 8.239 1.00 2.01 C ATOM 1038 O LEU A 67 23.310 16.186 8.067 1.00 71.34 O ATOM 1039 CB LEU A 67 21.173 17.282 6.197 1.00 45.14 C ATOM 1040 CG LEU A 67 20.340 16.206 5.499 1.00 34.45 C ATOM 1041 CD1 LEU A 67 19.272 16.844 4.623 1.00 12.43 C ATOM 1042 CD2 LEU A 67 21.231 15.290 4.675 1.00 63.00 C ATOM 0 H LEU A 67 20.597 19.255 7.724 1.00 31.52 H new ATOM 0 HA LEU A 67 20.660 16.343 8.061 1.00 63.02 H new ATOM 0 HB2 LEU A 67 20.806 18.259 5.881 1.00 45.14 H new ATOM 0 HB3 LEU A 67 22.202 17.200 5.847 1.00 45.14 H new ATOM 0 HG LEU A 67 19.845 15.605 6.262 1.00 34.45 H new ATOM 0 HD11 LEU A 67 18.689 16.064 4.134 1.00 12.43 H new ATOM 0 HD12 LEU A 67 18.614 17.457 5.239 1.00 12.43 H new ATOM 0 HD13 LEU A 67 19.747 17.469 3.867 1.00 12.43 H new ATOM 0 HD21 LEU A 67 20.620 14.531 4.186 1.00 63.00 H new ATOM 0 HD22 LEU A 67 21.755 15.875 3.920 1.00 63.00 H new ATOM 0 HD23 LEU A 67 21.957 14.806 5.328 1.00 63.00 H new ATOM 1054 N HIS A 68 23.050 18.271 8.875 1.00 65.42 N ATOM 1055 CA HIS A 68 24.402 18.347 9.417 1.00 45.34 C ATOM 1056 C HIS A 68 24.564 17.407 10.607 1.00 34.13 C ATOM 1057 O HIS A 68 25.585 16.731 10.745 1.00 72.52 O ATOM 1058 CB HIS A 68 24.727 19.781 9.836 1.00 21.21 C ATOM 1059 CG HIS A 68 26.182 20.119 9.737 1.00 71.35 C ATOM 1060 ND1 HIS A 68 26.974 19.731 8.677 1.00 45.30 N ATOM 1061 CD2 HIS A 68 26.988 20.817 10.571 1.00 43.33 C ATOM 1062 CE1 HIS A 68 28.205 20.171 8.865 1.00 54.23 C ATOM 1063 NE2 HIS A 68 28.240 20.834 10.007 1.00 54.12 N ATOM 0 H HIS A 68 22.487 19.108 9.028 1.00 65.42 H new ATOM 0 HA HIS A 68 25.097 18.039 8.636 1.00 45.34 H new ATOM 0 HB2 HIS A 68 24.159 20.471 9.212 1.00 21.21 H new ATOM 0 HB3 HIS A 68 24.396 19.934 10.863 1.00 21.21 H new ATOM 0 HD2 HIS A 68 26.700 21.275 11.506 1.00 43.33 H new ATOM 0 HE1 HIS A 68 29.041 20.015 8.199 1.00 54.23 H new ATOM 0 HE2 HIS A 68 29.063 21.285 10.405 1.00 54.12 H new ATOM 1071 N LEU A 69 23.551 17.369 11.466 1.00 12.42 N ATOM 1072 CA LEU A 69 23.581 16.514 12.647 1.00 25.34 C ATOM 1073 C LEU A 69 23.921 15.075 12.268 1.00 34.11 C ATOM 1074 O LEU A 69 24.913 14.506 12.722 1.00 23.22 O ATOM 1075 CB LEU A 69 22.232 16.558 13.368 1.00 70.42 C ATOM 1076 CG LEU A 69 22.156 17.466 14.595 1.00 3.33 C ATOM 1077 CD1 LEU A 69 20.729 17.937 14.824 1.00 15.11 C ATOM 1078 CD2 LEU A 69 22.685 16.743 15.827 1.00 72.24 C ATOM 0 H LEU A 69 22.699 17.921 11.366 1.00 12.42 H new ATOM 0 HA LEU A 69 24.356 16.888 13.316 1.00 25.34 H new ATOM 0 HB2 LEU A 69 21.472 16.879 12.656 1.00 70.42 H new ATOM 0 HB3 LEU A 69 21.973 15.544 13.674 1.00 70.42 H new ATOM 0 HG LEU A 69 22.781 18.341 14.414 1.00 3.33 H new ATOM 0 HD11 LEU A 69 20.695 18.582 15.702 1.00 15.11 H new ATOM 0 HD12 LEU A 69 20.385 18.493 13.952 1.00 15.11 H new ATOM 0 HD13 LEU A 69 20.082 17.074 14.983 1.00 15.11 H new ATOM 0 HD21 LEU A 69 22.623 17.404 16.691 1.00 72.24 H new ATOM 0 HD22 LEU A 69 22.087 15.850 16.010 1.00 72.24 H new ATOM 0 HD23 LEU A 69 23.724 16.456 15.663 1.00 72.24 H new ATOM 1090 N PRO A 70 23.079 14.473 11.415 1.00 71.13 N ATOM 1091 CA PRO A 70 23.271 13.095 10.953 1.00 73.31 C ATOM 1092 C PRO A 70 24.470 12.957 10.022 1.00 51.11 C ATOM 1093 O PRO A 70 24.493 13.533 8.933 1.00 53.32 O ATOM 1094 CB PRO A 70 21.973 12.789 10.202 1.00 23.41 C ATOM 1095 CG PRO A 70 21.466 14.119 9.763 1.00 1.14 C ATOM 1096 CD PRO A 70 21.876 15.092 10.834 1.00 74.33 C ATOM 0 HA PRO A 70 23.473 12.413 11.779 1.00 73.31 H new ATOM 0 HB2 PRO A 70 22.154 12.134 9.350 1.00 23.41 H new ATOM 0 HB3 PRO A 70 21.253 12.284 10.846 1.00 23.41 H new ATOM 0 HG2 PRO A 70 21.889 14.399 8.798 1.00 1.14 H new ATOM 0 HG3 PRO A 70 20.383 14.104 9.643 1.00 1.14 H new ATOM 0 HD2 PRO A 70 22.091 16.077 10.421 1.00 74.33 H new ATOM 0 HD3 PRO A 70 21.092 15.223 11.579 1.00 74.33 H new ATOM 1104 N LEU A 71 25.465 12.191 10.456 1.00 71.45 N ATOM 1105 CA LEU A 71 26.668 11.977 9.659 1.00 51.43 C ATOM 1106 C LEU A 71 26.465 10.843 8.659 1.00 52.40 C ATOM 1107 O LEU A 71 26.625 11.031 7.452 1.00 24.20 O ATOM 1108 CB LEU A 71 27.857 11.663 10.570 1.00 24.32 C ATOM 1109 CG LEU A 71 28.563 12.868 11.194 1.00 20.51 C ATOM 1110 CD1 LEU A 71 29.321 12.453 12.445 1.00 53.35 C ATOM 1111 CD2 LEU A 71 29.501 13.516 10.187 1.00 43.51 C ATOM 0 H LEU A 71 25.463 11.708 11.354 1.00 71.45 H new ATOM 0 HA LEU A 71 26.874 12.892 9.104 1.00 51.43 H new ATOM 0 HB2 LEU A 71 27.511 11.014 11.374 1.00 24.32 H new ATOM 0 HB3 LEU A 71 28.589 11.096 9.995 1.00 24.32 H new ATOM 0 HG LEU A 71 27.808 13.601 11.479 1.00 20.51 H new ATOM 0 HD11 LEU A 71 29.817 13.323 12.875 1.00 53.35 H new ATOM 0 HD12 LEU A 71 28.623 12.037 13.172 1.00 53.35 H new ATOM 0 HD13 LEU A 71 30.067 11.701 12.186 1.00 53.35 H new ATOM 0 HD21 LEU A 71 29.995 14.372 10.648 1.00 43.51 H new ATOM 0 HD22 LEU A 71 30.251 12.792 9.870 1.00 43.51 H new ATOM 0 HD23 LEU A 71 28.930 13.850 9.321 1.00 43.51 H new ATOM 1123 N LEU A 72 26.112 9.669 9.168 1.00 44.30 N ATOM 1124 CA LEU A 72 25.885 8.504 8.320 1.00 54.04 C ATOM 1125 C LEU A 72 24.410 8.117 8.311 1.00 21.55 C ATOM 1126 O LEU A 72 23.701 8.353 7.332 1.00 70.24 O ATOM 1127 CB LEU A 72 26.731 7.324 8.802 1.00 71.42 C ATOM 1128 CG LEU A 72 28.156 7.251 8.252 1.00 32.03 C ATOM 1129 CD1 LEU A 72 28.137 6.970 6.758 1.00 43.55 C ATOM 1130 CD2 LEU A 72 28.907 8.542 8.544 1.00 34.22 C ATOM 0 H LEU A 72 25.977 9.498 10.164 1.00 44.30 H new ATOM 0 HA LEU A 72 26.180 8.763 7.303 1.00 54.04 H new ATOM 0 HB2 LEU A 72 26.784 7.361 9.890 1.00 71.42 H new ATOM 0 HB3 LEU A 72 26.214 6.401 8.540 1.00 71.42 H new ATOM 0 HG LEU A 72 28.675 6.432 8.749 1.00 32.03 H new ATOM 0 HD11 LEU A 72 29.160 6.922 6.384 1.00 43.55 H new ATOM 0 HD12 LEU A 72 27.637 6.019 6.573 1.00 43.55 H new ATOM 0 HD13 LEU A 72 27.600 7.768 6.245 1.00 43.55 H new ATOM 0 HD21 LEU A 72 29.919 8.472 8.146 1.00 34.22 H new ATOM 0 HD22 LEU A 72 28.389 9.378 8.075 1.00 34.22 H new ATOM 0 HD23 LEU A 72 28.951 8.701 9.621 1.00 34.22 H new ATOM 1142 N CYS A 73 23.953 7.524 9.409 1.00 63.43 N ATOM 1143 CA CYS A 73 22.560 7.105 9.527 1.00 11.32 C ATOM 1144 C CYS A 73 22.251 6.647 10.949 1.00 72.20 C ATOM 1145 O CYS A 73 23.051 6.844 11.862 1.00 2.15 O ATOM 1146 CB CYS A 73 22.258 5.977 8.538 1.00 13.35 C ATOM 1147 SG CYS A 73 20.772 6.246 7.545 1.00 51.02 S ATOM 0 H CYS A 73 24.525 7.323 10.229 1.00 63.43 H new ATOM 0 HA CYS A 73 21.927 7.961 9.293 1.00 11.32 H new ATOM 0 HB2 CYS A 73 23.111 5.855 7.871 1.00 13.35 H new ATOM 0 HB3 CYS A 73 22.149 5.043 9.090 1.00 13.35 H new ATOM 0 HG CYS A 73 19.821 5.467 7.967 1.00 51.02 H new ATOM 1153 N GLU A 74 21.083 6.037 11.128 1.00 23.41 N ATOM 1154 CA GLU A 74 20.667 5.553 12.439 1.00 13.21 C ATOM 1155 C GLU A 74 21.743 4.665 13.058 1.00 64.11 C ATOM 1156 O GLU A 74 21.925 4.650 14.275 1.00 1.13 O ATOM 1157 CB GLU A 74 19.352 4.778 12.327 1.00 5.41 C ATOM 1158 CG GLU A 74 19.339 3.760 11.200 1.00 20.21 C ATOM 1159 CD GLU A 74 18.318 4.090 10.128 1.00 22.34 C ATOM 1160 OE1 GLU A 74 17.139 4.309 10.479 1.00 14.43 O ATOM 1161 OE2 GLU A 74 18.697 4.127 8.939 1.00 11.14 O ATOM 0 H GLU A 74 20.409 5.867 10.382 1.00 23.41 H new ATOM 0 HA GLU A 74 20.517 6.417 13.086 1.00 13.21 H new ATOM 0 HB2 GLU A 74 19.161 4.266 13.270 1.00 5.41 H new ATOM 0 HB3 GLU A 74 18.536 5.484 12.177 1.00 5.41 H new ATOM 0 HG2 GLU A 74 20.330 3.710 10.749 1.00 20.21 H new ATOM 0 HG3 GLU A 74 19.124 2.773 11.609 1.00 20.21 H new ATOM 1168 N ASP A 75 22.452 3.927 12.211 1.00 52.11 N ATOM 1169 CA ASP A 75 23.510 3.036 12.673 1.00 0.34 C ATOM 1170 C ASP A 75 24.569 3.810 13.454 1.00 64.50 C ATOM 1171 O ASP A 75 25.212 3.267 14.352 1.00 52.44 O ATOM 1172 CB ASP A 75 24.156 2.318 11.487 1.00 13.15 C ATOM 1173 CG ASP A 75 23.426 1.043 11.116 1.00 65.43 C ATOM 1174 OD1 ASP A 75 22.335 0.799 11.674 1.00 40.52 O ATOM 1175 OD2 ASP A 75 23.945 0.288 10.267 1.00 23.41 O ATOM 0 H ASP A 75 22.313 3.928 11.200 1.00 52.11 H new ATOM 0 HA ASP A 75 23.064 2.295 13.336 1.00 0.34 H new ATOM 0 HB2 ASP A 75 24.173 2.987 10.627 1.00 13.15 H new ATOM 0 HB3 ASP A 75 25.192 2.083 11.729 1.00 13.15 H new ATOM 1180 N LYS A 76 24.743 5.080 13.104 1.00 3.13 N ATOM 1181 CA LYS A 76 25.723 5.929 13.771 1.00 5.33 C ATOM 1182 C LYS A 76 25.091 6.670 14.945 1.00 52.54 C ATOM 1183 O LYS A 76 25.670 7.616 15.478 1.00 72.52 O ATOM 1184 CB LYS A 76 26.317 6.932 12.781 1.00 54.10 C ATOM 1185 CG LYS A 76 27.816 7.127 12.936 1.00 31.23 C ATOM 1186 CD LYS A 76 28.135 8.383 13.729 1.00 72.11 C ATOM 1187 CE LYS A 76 29.520 8.917 13.393 1.00 23.13 C ATOM 1188 NZ LYS A 76 30.143 9.610 14.553 1.00 13.34 N ATOM 0 H LYS A 76 24.218 5.544 12.362 1.00 3.13 H new ATOM 0 HA LYS A 76 26.520 5.291 14.153 1.00 5.33 H new ATOM 0 HB2 LYS A 76 26.106 6.596 11.766 1.00 54.10 H new ATOM 0 HB3 LYS A 76 25.819 7.893 12.908 1.00 54.10 H new ATOM 0 HG2 LYS A 76 28.247 6.260 13.437 1.00 31.23 H new ATOM 0 HG3 LYS A 76 28.280 7.189 11.951 1.00 31.23 H new ATOM 0 HD2 LYS A 76 27.388 9.148 13.518 1.00 72.11 H new ATOM 0 HD3 LYS A 76 28.076 8.166 14.796 1.00 72.11 H new ATOM 0 HE2 LYS A 76 30.160 8.093 13.076 1.00 23.13 H new ATOM 0 HE3 LYS A 76 29.449 9.608 12.553 1.00 23.13 H new ATOM 0 HZ1 LYS A 76 31.085 9.959 14.284 1.00 13.34 H new ATOM 0 HZ2 LYS A 76 29.546 10.411 14.840 1.00 13.34 H new ATOM 0 HZ3 LYS A 76 30.234 8.944 15.347 1.00 13.34 H new ATOM 1202 N ASN A 77 23.901 6.233 15.344 1.00 2.05 N ATOM 1203 CA ASN A 77 23.191 6.856 16.455 1.00 51.30 C ATOM 1204 C ASN A 77 22.805 8.293 16.118 1.00 43.42 C ATOM 1205 O ASN A 77 23.551 9.230 16.403 1.00 12.43 O ATOM 1206 CB ASN A 77 24.056 6.830 17.718 1.00 35.41 C ATOM 1207 CG ASN A 77 23.227 6.882 18.987 1.00 25.44 C ATOM 1208 OD1 ASN A 77 23.047 5.871 19.666 1.00 44.52 O ATOM 1209 ND2 ASN A 77 22.717 8.063 19.313 1.00 54.53 N ATOM 0 H ASN A 77 23.408 5.450 14.915 1.00 2.05 H new ATOM 0 HA ASN A 77 22.279 6.288 16.635 1.00 51.30 H new ATOM 0 HB2 ASN A 77 24.663 5.925 17.721 1.00 35.41 H new ATOM 0 HB3 ASN A 77 24.744 7.675 17.702 1.00 35.41 H new ATOM 0 HD21 ASN A 77 22.150 8.159 20.156 1.00 54.53 H new ATOM 0 HD22 ASN A 77 22.892 8.875 18.721 1.00 54.53 H new ATOM 1216 N VAL A 78 21.636 8.459 15.509 1.00 4.12 N ATOM 1217 CA VAL A 78 21.150 9.781 15.134 1.00 22.35 C ATOM 1218 C VAL A 78 19.626 9.832 15.150 1.00 3.10 C ATOM 1219 O VAL A 78 18.961 9.562 14.150 1.00 64.40 O ATOM 1220 CB VAL A 78 21.652 10.188 13.736 1.00 32.21 C ATOM 1221 CG1 VAL A 78 21.093 11.547 13.343 1.00 11.12 C ATOM 1222 CG2 VAL A 78 23.172 10.196 13.698 1.00 14.30 C ATOM 0 H VAL A 78 21.007 7.694 15.265 1.00 4.12 H new ATOM 0 HA VAL A 78 21.541 10.482 15.871 1.00 22.35 H new ATOM 0 HB VAL A 78 21.297 9.453 13.013 1.00 32.21 H new ATOM 0 HG11 VAL A 78 21.458 11.818 12.353 1.00 11.12 H new ATOM 0 HG12 VAL A 78 20.004 11.502 13.328 1.00 11.12 H new ATOM 0 HG13 VAL A 78 21.415 12.296 14.066 1.00 11.12 H new ATOM 0 HG21 VAL A 78 23.510 10.486 12.703 1.00 14.30 H new ATOM 0 HG22 VAL A 78 23.551 10.908 14.431 1.00 14.30 H new ATOM 0 HG23 VAL A 78 23.547 9.200 13.933 1.00 14.30 H new ATOM 1232 N PRO A 79 19.058 10.186 16.312 1.00 12.33 N ATOM 1233 CA PRO A 79 17.606 10.281 16.487 1.00 73.52 C ATOM 1234 C PRO A 79 17.006 11.457 15.723 1.00 63.33 C ATOM 1235 O PRO A 79 17.653 12.490 15.546 1.00 64.13 O ATOM 1236 CB PRO A 79 17.442 10.485 17.995 1.00 42.43 C ATOM 1237 CG PRO A 79 18.725 11.101 18.436 1.00 44.52 C ATOM 1238 CD PRO A 79 19.790 10.522 17.546 1.00 64.02 C ATOM 0 HA PRO A 79 17.091 9.400 16.104 1.00 73.52 H new ATOM 0 HB2 PRO A 79 16.595 11.134 18.217 1.00 42.43 H new ATOM 0 HB3 PRO A 79 17.261 9.539 18.505 1.00 42.43 H new ATOM 0 HG2 PRO A 79 18.688 12.187 18.345 1.00 44.52 H new ATOM 0 HG3 PRO A 79 18.927 10.875 19.483 1.00 44.52 H new ATOM 0 HD2 PRO A 79 20.589 11.239 17.357 1.00 64.02 H new ATOM 0 HD3 PRO A 79 20.251 9.641 17.992 1.00 64.02 H new ATOM 1246 N TYR A 80 15.768 11.293 15.272 1.00 32.45 N ATOM 1247 CA TYR A 80 15.081 12.341 14.525 1.00 24.42 C ATOM 1248 C TYR A 80 13.630 11.955 14.253 1.00 24.01 C ATOM 1249 O TYR A 80 13.309 10.778 14.092 1.00 21.25 O ATOM 1250 CB TYR A 80 15.804 12.612 13.206 1.00 51.24 C ATOM 1251 CG TYR A 80 15.603 11.528 12.171 1.00 52.11 C ATOM 1252 CD1 TYR A 80 14.522 11.565 11.299 1.00 34.11 C ATOM 1253 CD2 TYR A 80 16.493 10.467 12.065 1.00 50.33 C ATOM 1254 CE1 TYR A 80 14.333 10.577 10.352 1.00 71.11 C ATOM 1255 CE2 TYR A 80 16.313 9.474 11.121 1.00 53.12 C ATOM 1256 CZ TYR A 80 15.231 9.535 10.267 1.00 63.14 C ATOM 1257 OH TYR A 80 15.048 8.548 9.326 1.00 64.33 O ATOM 0 H TYR A 80 15.219 10.445 15.410 1.00 32.45 H new ATOM 0 HA TYR A 80 15.089 13.248 15.130 1.00 24.42 H new ATOM 0 HB2 TYR A 80 15.455 13.561 12.798 1.00 51.24 H new ATOM 0 HB3 TYR A 80 16.871 12.722 13.402 1.00 51.24 H new ATOM 0 HD1 TYR A 80 13.817 12.381 11.363 1.00 34.11 H new ATOM 0 HD2 TYR A 80 17.341 10.417 12.732 1.00 50.33 H new ATOM 0 HE1 TYR A 80 13.487 10.621 9.682 1.00 71.11 H new ATOM 0 HE2 TYR A 80 17.014 8.656 11.052 1.00 53.12 H new ATOM 0 HH TYR A 80 15.770 7.889 9.399 1.00 64.33 H new ATOM 1267 N VAL A 81 12.758 12.956 14.203 1.00 33.45 N ATOM 1268 CA VAL A 81 11.341 12.725 13.948 1.00 25.34 C ATOM 1269 C VAL A 81 10.695 13.938 13.291 1.00 35.42 C ATOM 1270 O VAL A 81 10.918 15.075 13.706 1.00 34.15 O ATOM 1271 CB VAL A 81 10.584 12.394 15.249 1.00 74.42 C ATOM 1272 CG1 VAL A 81 10.786 13.495 16.278 1.00 13.34 C ATOM 1273 CG2 VAL A 81 9.104 12.184 14.964 1.00 1.15 C ATOM 0 H VAL A 81 13.008 13.936 14.336 1.00 33.45 H new ATOM 0 HA VAL A 81 11.276 11.873 13.271 1.00 25.34 H new ATOM 0 HB VAL A 81 10.987 11.468 15.659 1.00 74.42 H new ATOM 0 HG11 VAL A 81 10.244 13.244 17.190 1.00 13.34 H new ATOM 0 HG12 VAL A 81 11.848 13.593 16.502 1.00 13.34 H new ATOM 0 HG13 VAL A 81 10.410 14.438 15.880 1.00 13.34 H new ATOM 0 HG21 VAL A 81 8.584 11.951 15.893 1.00 1.15 H new ATOM 0 HG22 VAL A 81 8.684 13.092 14.531 1.00 1.15 H new ATOM 0 HG23 VAL A 81 8.982 11.358 14.263 1.00 1.15 H new ATOM 1283 N PHE A 82 9.890 13.688 12.263 1.00 52.52 N ATOM 1284 CA PHE A 82 9.210 14.761 11.546 1.00 52.40 C ATOM 1285 C PHE A 82 7.763 14.893 12.011 1.00 52.05 C ATOM 1286 O PHE A 82 6.980 13.949 11.915 1.00 4.20 O ATOM 1287 CB PHE A 82 9.253 14.504 10.038 1.00 2.02 C ATOM 1288 CG PHE A 82 10.646 14.451 9.478 1.00 20.35 C ATOM 1289 CD1 PHE A 82 11.343 15.618 9.209 1.00 52.20 C ATOM 1290 CD2 PHE A 82 11.258 13.235 9.222 1.00 24.00 C ATOM 1291 CE1 PHE A 82 12.624 15.572 8.694 1.00 44.45 C ATOM 1292 CE2 PHE A 82 12.540 13.183 8.706 1.00 1.02 C ATOM 1293 CZ PHE A 82 13.224 14.353 8.442 1.00 13.41 C ATOM 0 H PHE A 82 9.693 12.752 11.908 1.00 52.52 H new ATOM 0 HA PHE A 82 9.729 15.695 11.762 1.00 52.40 H new ATOM 0 HB2 PHE A 82 8.748 13.562 9.824 1.00 2.02 H new ATOM 0 HB3 PHE A 82 8.695 15.289 9.528 1.00 2.02 H new ATOM 0 HD1 PHE A 82 10.880 16.574 9.404 1.00 52.20 H new ATOM 0 HD2 PHE A 82 10.728 12.317 9.428 1.00 24.00 H new ATOM 0 HE1 PHE A 82 13.157 16.489 8.488 1.00 44.45 H new ATOM 0 HE2 PHE A 82 13.006 12.228 8.510 1.00 1.02 H new ATOM 0 HZ PHE A 82 14.226 14.316 8.040 1.00 13.41 H new ATOM 1303 N VAL A 83 7.415 16.073 12.514 1.00 72.53 N ATOM 1304 CA VAL A 83 6.061 16.331 12.993 1.00 41.03 C ATOM 1305 C VAL A 83 5.256 17.119 11.966 1.00 53.14 C ATOM 1306 O VAL A 83 5.735 17.397 10.866 1.00 41.40 O ATOM 1307 CB VAL A 83 6.075 17.106 14.324 1.00 71.25 C ATOM 1308 CG1 VAL A 83 6.788 16.303 15.401 1.00 55.43 C ATOM 1309 CG2 VAL A 83 6.728 18.467 14.140 1.00 53.32 C ATOM 0 H VAL A 83 8.051 16.866 12.601 1.00 72.53 H new ATOM 0 HA VAL A 83 5.590 15.361 13.152 1.00 41.03 H new ATOM 0 HB VAL A 83 5.045 17.264 14.645 1.00 71.25 H new ATOM 0 HG11 VAL A 83 6.788 16.866 16.334 1.00 55.43 H new ATOM 0 HG12 VAL A 83 6.272 15.355 15.549 1.00 55.43 H new ATOM 0 HG13 VAL A 83 7.816 16.112 15.092 1.00 55.43 H new ATOM 0 HG21 VAL A 83 6.730 19.001 15.090 1.00 53.32 H new ATOM 0 HG22 VAL A 83 7.754 18.335 13.796 1.00 53.32 H new ATOM 0 HG23 VAL A 83 6.169 19.042 13.401 1.00 53.32 H new ATOM 1319 N ARG A 84 4.030 17.478 12.332 1.00 4.13 N ATOM 1320 CA ARG A 84 3.156 18.234 11.442 1.00 4.35 C ATOM 1321 C ARG A 84 2.690 19.525 12.109 1.00 71.34 C ATOM 1322 O ARG A 84 1.562 19.971 11.897 1.00 63.32 O ATOM 1323 CB ARG A 84 1.946 17.387 11.041 1.00 55.33 C ATOM 1324 CG ARG A 84 1.235 16.743 12.220 1.00 34.14 C ATOM 1325 CD ARG A 84 -0.100 16.145 11.805 1.00 44.12 C ATOM 1326 NE ARG A 84 -1.187 17.115 11.893 1.00 54.23 N ATOM 1327 CZ ARG A 84 -1.689 17.554 13.042 1.00 63.31 C ATOM 1328 NH1 ARG A 84 -1.205 17.110 14.193 1.00 4.45 N ATOM 1329 NH2 ARG A 84 -2.678 18.438 13.040 1.00 30.53 N ATOM 0 H ARG A 84 3.619 17.258 13.239 1.00 4.13 H new ATOM 0 HA ARG A 84 3.722 18.491 10.547 1.00 4.35 H new ATOM 0 HB2 ARG A 84 1.238 18.014 10.499 1.00 55.33 H new ATOM 0 HB3 ARG A 84 2.272 16.606 10.353 1.00 55.33 H new ATOM 0 HG2 ARG A 84 1.867 15.964 12.647 1.00 34.14 H new ATOM 0 HG3 ARG A 84 1.075 17.487 13.001 1.00 34.14 H new ATOM 0 HD2 ARG A 84 -0.028 15.773 10.783 1.00 44.12 H new ATOM 0 HD3 ARG A 84 -0.326 15.289 12.440 1.00 44.12 H new ATOM 0 HE ARG A 84 -1.583 17.476 11.025 1.00 54.23 H new ATOM 0 HH11 ARG A 84 -0.445 16.430 14.198 1.00 4.45 H new ATOM 0 HH12 ARG A 84 -1.592 17.449 15.074 1.00 4.45 H new ATOM 0 HH21 ARG A 84 -3.054 18.781 12.156 1.00 30.53 H new ATOM 0 HH22 ARG A 84 -3.063 18.775 13.923 1.00 30.53 H new ATOM 1343 N SER A 85 3.564 20.120 12.913 1.00 12.11 N ATOM 1344 CA SER A 85 3.241 21.358 13.613 1.00 64.42 C ATOM 1345 C SER A 85 4.428 21.841 14.439 1.00 2.21 C ATOM 1346 O SER A 85 4.665 21.363 15.549 1.00 31.51 O ATOM 1347 CB SER A 85 2.024 21.153 14.518 1.00 24.14 C ATOM 1348 OG SER A 85 0.930 21.945 14.089 1.00 55.12 O ATOM 0 H SER A 85 4.502 19.765 13.096 1.00 12.11 H new ATOM 0 HA SER A 85 3.007 22.118 12.868 1.00 64.42 H new ATOM 0 HB2 SER A 85 1.738 20.101 14.516 1.00 24.14 H new ATOM 0 HB3 SER A 85 2.283 21.411 15.545 1.00 24.14 H new ATOM 0 HG SER A 85 0.651 21.661 13.194 1.00 55.12 H new ATOM 1354 N LYS A 86 5.174 22.794 13.889 1.00 2.34 N ATOM 1355 CA LYS A 86 6.338 23.345 14.574 1.00 31.15 C ATOM 1356 C LYS A 86 5.914 24.220 15.750 1.00 75.33 C ATOM 1357 O LYS A 86 6.537 24.194 16.809 1.00 14.32 O ATOM 1358 CB LYS A 86 7.189 24.160 13.599 1.00 52.21 C ATOM 1359 CG LYS A 86 6.437 25.306 12.945 1.00 14.24 C ATOM 1360 CD LYS A 86 7.275 25.985 11.874 1.00 63.12 C ATOM 1361 CE LYS A 86 6.404 26.730 10.874 1.00 64.30 C ATOM 1362 NZ LYS A 86 6.022 25.869 9.721 1.00 20.45 N ATOM 0 H LYS A 86 4.993 23.201 12.971 1.00 2.34 H new ATOM 0 HA LYS A 86 6.930 22.514 14.958 1.00 31.15 H new ATOM 0 HB2 LYS A 86 8.053 24.560 14.130 1.00 52.21 H new ATOM 0 HB3 LYS A 86 7.571 23.498 12.822 1.00 52.21 H new ATOM 0 HG2 LYS A 86 5.514 24.931 12.503 1.00 14.24 H new ATOM 0 HG3 LYS A 86 6.153 26.036 13.703 1.00 14.24 H new ATOM 0 HD2 LYS A 86 7.971 26.681 12.342 1.00 63.12 H new ATOM 0 HD3 LYS A 86 7.874 25.239 11.352 1.00 63.12 H new ATOM 0 HE2 LYS A 86 5.504 27.089 11.373 1.00 64.30 H new ATOM 0 HE3 LYS A 86 6.938 27.608 10.510 1.00 64.30 H new ATOM 0 HZ1 LYS A 86 5.429 26.413 9.063 1.00 20.45 H new ATOM 0 HZ2 LYS A 86 6.880 25.547 9.229 1.00 20.45 H new ATOM 0 HZ3 LYS A 86 5.490 25.044 10.065 1.00 20.45 H new ATOM 1376 N GLN A 87 4.849 24.991 15.553 1.00 31.45 N ATOM 1377 CA GLN A 87 4.342 25.873 16.598 1.00 14.24 C ATOM 1378 C GLN A 87 4.120 25.106 17.898 1.00 44.14 C ATOM 1379 O GLN A 87 4.301 25.647 18.987 1.00 4.34 O ATOM 1380 CB GLN A 87 3.035 26.531 16.151 1.00 42.34 C ATOM 1381 CG GLN A 87 3.148 28.034 15.951 1.00 20.54 C ATOM 1382 CD GLN A 87 2.024 28.595 15.102 1.00 35.24 C ATOM 1383 OE1 GLN A 87 2.147 28.704 13.882 1.00 34.01 O ATOM 1384 NE2 GLN A 87 0.919 28.955 15.746 1.00 33.43 N ATOM 0 H GLN A 87 4.321 25.023 14.681 1.00 31.45 H new ATOM 0 HA GLN A 87 5.088 26.648 16.777 1.00 14.24 H new ATOM 0 HB2 GLN A 87 2.707 26.072 15.218 1.00 42.34 H new ATOM 0 HB3 GLN A 87 2.263 26.329 16.894 1.00 42.34 H new ATOM 0 HG2 GLN A 87 3.145 28.527 16.923 1.00 20.54 H new ATOM 0 HG3 GLN A 87 4.104 28.263 15.480 1.00 20.54 H new ATOM 0 HE21 GLN A 87 0.861 28.847 16.759 1.00 33.43 H new ATOM 0 HE22 GLN A 87 0.129 29.339 15.228 1.00 33.43 H new ATOM 1393 N ALA A 88 3.726 23.843 17.773 1.00 72.22 N ATOM 1394 CA ALA A 88 3.480 23.001 18.938 1.00 55.22 C ATOM 1395 C ALA A 88 4.726 22.897 19.811 1.00 30.22 C ATOM 1396 O ALA A 88 4.634 22.847 21.039 1.00 71.54 O ATOM 1397 CB ALA A 88 3.022 21.618 18.502 1.00 63.44 C ATOM 0 H ALA A 88 3.570 23.380 16.877 1.00 72.22 H new ATOM 0 HA ALA A 88 2.690 23.463 19.530 1.00 55.22 H new ATOM 0 HB1 ALA A 88 2.842 21.000 19.382 1.00 63.44 H new ATOM 0 HB2 ALA A 88 2.101 21.705 17.925 1.00 63.44 H new ATOM 0 HB3 ALA A 88 3.794 21.156 17.886 1.00 63.44 H new ATOM 1403 N LEU A 89 5.890 22.862 19.173 1.00 55.15 N ATOM 1404 CA LEU A 89 7.155 22.763 19.892 1.00 74.22 C ATOM 1405 C LEU A 89 7.405 24.014 20.730 1.00 64.40 C ATOM 1406 O LEU A 89 7.751 23.925 21.908 1.00 63.54 O ATOM 1407 CB LEU A 89 8.309 22.557 18.908 1.00 11.33 C ATOM 1408 CG LEU A 89 9.205 21.345 19.170 1.00 35.21 C ATOM 1409 CD1 LEU A 89 10.142 21.111 17.995 1.00 14.03 C ATOM 1410 CD2 LEU A 89 9.995 21.535 20.456 1.00 45.41 C ATOM 0 H LEU A 89 5.984 22.901 18.158 1.00 55.15 H new ATOM 0 HA LEU A 89 7.098 21.905 20.561 1.00 74.22 H new ATOM 0 HB2 LEU A 89 7.893 22.466 17.905 1.00 11.33 H new ATOM 0 HB3 LEU A 89 8.931 23.452 18.915 1.00 11.33 H new ATOM 0 HG LEU A 89 8.571 20.465 19.283 1.00 35.21 H new ATOM 0 HD11 LEU A 89 10.772 20.245 18.199 1.00 14.03 H new ATOM 0 HD12 LEU A 89 9.557 20.930 17.093 1.00 14.03 H new ATOM 0 HD13 LEU A 89 10.770 21.990 17.850 1.00 14.03 H new ATOM 0 HD21 LEU A 89 10.627 20.664 20.627 1.00 45.41 H new ATOM 0 HD22 LEU A 89 10.619 22.425 20.372 1.00 45.41 H new ATOM 0 HD23 LEU A 89 9.306 21.653 21.292 1.00 45.41 H new ATOM 1422 N GLY A 90 7.223 25.178 20.115 1.00 4.41 N ATOM 1423 CA GLY A 90 7.431 26.429 20.821 1.00 74.51 C ATOM 1424 C GLY A 90 6.608 26.523 22.090 1.00 30.44 C ATOM 1425 O GLY A 90 6.981 27.223 23.030 1.00 11.22 O ATOM 0 H GLY A 90 6.936 25.277 19.141 1.00 4.41 H new ATOM 0 HA2 GLY A 90 8.488 26.531 21.069 1.00 74.51 H new ATOM 0 HA3 GLY A 90 7.176 27.260 20.164 1.00 74.51 H new ATOM 1429 N ARG A 91 5.482 25.816 22.117 1.00 52.00 N ATOM 1430 CA ARG A 91 4.602 25.824 23.279 1.00 13.13 C ATOM 1431 C ARG A 91 4.926 24.665 24.216 1.00 45.23 C ATOM 1432 O ARG A 91 4.876 24.807 25.437 1.00 41.12 O ATOM 1433 CB ARG A 91 3.140 25.744 22.839 1.00 61.51 C ATOM 1434 CG ARG A 91 2.192 25.313 23.946 1.00 35.14 C ATOM 1435 CD ARG A 91 0.886 26.091 23.896 1.00 62.44 C ATOM 1436 NE ARG A 91 0.777 27.052 24.991 1.00 44.32 N ATOM 1437 CZ ARG A 91 -0.333 27.722 25.272 1.00 33.43 C ATOM 1438 NH1 ARG A 91 -1.425 27.538 24.544 1.00 22.34 N ATOM 1439 NH2 ARG A 91 -0.353 28.579 26.285 1.00 34.24 N ATOM 0 H ARG A 91 5.158 25.231 21.347 1.00 52.00 H new ATOM 0 HA ARG A 91 4.762 26.758 23.817 1.00 13.13 H new ATOM 0 HB2 ARG A 91 2.828 26.719 22.465 1.00 61.51 H new ATOM 0 HB3 ARG A 91 3.057 25.043 22.008 1.00 61.51 H new ATOM 0 HG2 ARG A 91 1.985 24.247 23.855 1.00 35.14 H new ATOM 0 HG3 ARG A 91 2.669 25.463 24.914 1.00 35.14 H new ATOM 0 HD2 ARG A 91 0.814 26.617 22.944 1.00 62.44 H new ATOM 0 HD3 ARG A 91 0.048 25.395 23.940 1.00 62.44 H new ATOM 0 HE ARG A 91 1.599 27.217 25.571 1.00 44.32 H new ATOM 0 HH11 ARG A 91 -1.414 26.880 23.765 1.00 22.34 H new ATOM 0 HH12 ARG A 91 -2.277 28.055 24.763 1.00 22.34 H new ATOM 0 HH21 ARG A 91 0.485 28.723 26.848 1.00 34.24 H new ATOM 0 HH22 ARG A 91 -1.207 29.094 26.501 1.00 34.24 H new ATOM 1453 N ALA A 92 5.258 23.516 23.635 1.00 55.24 N ATOM 1454 CA ALA A 92 5.592 22.333 24.416 1.00 45.33 C ATOM 1455 C ALA A 92 6.897 22.530 25.181 1.00 61.02 C ATOM 1456 O ALA A 92 7.111 21.919 26.229 1.00 41.01 O ATOM 1457 CB ALA A 92 5.688 21.112 23.512 1.00 53.10 C ATOM 0 H ALA A 92 5.302 23.381 22.625 1.00 55.24 H new ATOM 0 HA ALA A 92 4.796 22.172 25.142 1.00 45.33 H new ATOM 0 HB1 ALA A 92 5.938 20.236 24.110 1.00 53.10 H new ATOM 0 HB2 ALA A 92 4.731 20.951 23.015 1.00 53.10 H new ATOM 0 HB3 ALA A 92 6.463 21.274 22.763 1.00 53.10 H new ATOM 1463 N CYS A 93 7.764 23.385 24.652 1.00 24.32 N ATOM 1464 CA CYS A 93 9.049 23.662 25.284 1.00 22.12 C ATOM 1465 C CYS A 93 8.902 24.718 26.375 1.00 51.01 C ATOM 1466 O CYS A 93 9.582 24.668 27.398 1.00 4.30 O ATOM 1467 CB CYS A 93 10.065 24.126 24.241 1.00 5.41 C ATOM 1468 SG CYS A 93 11.631 23.222 24.282 1.00 73.30 S ATOM 0 H CYS A 93 7.601 23.899 23.786 1.00 24.32 H new ATOM 0 HA CYS A 93 9.407 22.740 25.742 1.00 22.12 H new ATOM 0 HB2 CYS A 93 9.624 24.023 23.249 1.00 5.41 H new ATOM 0 HB3 CYS A 93 10.266 25.187 24.392 1.00 5.41 H new ATOM 0 HG CYS A 93 12.245 23.366 23.145 1.00 73.30 H new ATOM 1474 N GLY A 94 8.009 25.676 26.146 1.00 70.11 N ATOM 1475 CA GLY A 94 7.790 26.733 27.117 1.00 21.12 C ATOM 1476 C GLY A 94 8.382 28.057 26.676 1.00 23.20 C ATOM 1477 O GLY A 94 8.724 28.899 27.506 1.00 63.11 O ATOM 0 H GLY A 94 7.434 25.739 25.306 1.00 70.11 H new ATOM 0 HA2 GLY A 94 6.719 26.854 27.282 1.00 21.12 H new ATOM 0 HA3 GLY A 94 8.229 26.442 28.071 1.00 21.12 H new ATOM 1481 N VAL A 95 8.504 28.241 25.366 1.00 40.33 N ATOM 1482 CA VAL A 95 9.060 29.472 24.816 1.00 53.01 C ATOM 1483 C VAL A 95 7.983 30.300 24.124 1.00 53.24 C ATOM 1484 O VAL A 95 6.847 29.853 23.967 1.00 54.15 O ATOM 1485 CB VAL A 95 10.190 29.178 23.811 1.00 62.01 C ATOM 1486 CG1 VAL A 95 11.450 28.732 24.539 1.00 62.42 C ATOM 1487 CG2 VAL A 95 9.747 28.128 22.804 1.00 72.42 C ATOM 0 H VAL A 95 8.226 27.554 24.665 1.00 40.33 H new ATOM 0 HA VAL A 95 9.467 30.037 25.654 1.00 53.01 H new ATOM 0 HB VAL A 95 10.418 30.096 23.269 1.00 62.01 H new ATOM 0 HG11 VAL A 95 12.237 28.529 23.813 1.00 62.42 H new ATOM 0 HG12 VAL A 95 11.777 29.520 25.217 1.00 62.42 H new ATOM 0 HG13 VAL A 95 11.240 27.827 25.109 1.00 62.42 H new ATOM 0 HG21 VAL A 95 10.557 27.933 22.102 1.00 72.42 H new ATOM 0 HG22 VAL A 95 9.491 27.207 23.328 1.00 72.42 H new ATOM 0 HG23 VAL A 95 8.875 28.491 22.260 1.00 72.42 H new ATOM 1497 N SER A 96 8.349 31.510 23.713 1.00 62.22 N ATOM 1498 CA SER A 96 7.412 32.403 23.040 1.00 71.21 C ATOM 1499 C SER A 96 7.361 32.110 21.544 1.00 33.13 C ATOM 1500 O SER A 96 6.293 32.137 20.932 1.00 61.44 O ATOM 1501 CB SER A 96 7.811 33.862 23.271 1.00 12.44 C ATOM 1502 OG SER A 96 7.209 34.375 24.447 1.00 12.23 O ATOM 0 H SER A 96 9.286 31.894 23.834 1.00 62.22 H new ATOM 0 HA SER A 96 6.421 32.233 23.460 1.00 71.21 H new ATOM 0 HB2 SER A 96 8.895 33.937 23.351 1.00 12.44 H new ATOM 0 HB3 SER A 96 7.512 34.464 22.413 1.00 12.44 H new ATOM 0 HG SER A 96 7.481 35.308 24.573 1.00 12.23 H new ATOM 1508 N ARG A 97 8.521 31.829 20.962 1.00 43.35 N ATOM 1509 CA ARG A 97 8.610 31.532 19.538 1.00 61.13 C ATOM 1510 C ARG A 97 8.876 30.046 19.307 1.00 33.43 C ATOM 1511 O ARG A 97 9.332 29.327 20.197 1.00 75.20 O ATOM 1512 CB ARG A 97 9.717 32.365 18.888 1.00 42.20 C ATOM 1513 CG ARG A 97 9.220 33.659 18.266 1.00 12.34 C ATOM 1514 CD ARG A 97 10.040 34.852 18.734 1.00 51.33 C ATOM 1515 NE ARG A 97 9.339 36.115 18.522 1.00 71.44 N ATOM 1516 CZ ARG A 97 9.883 37.305 18.749 1.00 13.50 C ATOM 1517 NH1 ARG A 97 11.129 37.394 19.192 1.00 43.23 N ATOM 1518 NH2 ARG A 97 9.181 38.410 18.532 1.00 34.51 N ATOM 0 H ARG A 97 9.413 31.801 21.455 1.00 43.35 H new ATOM 0 HA ARG A 97 7.655 31.789 19.080 1.00 61.13 H new ATOM 0 HB2 ARG A 97 10.472 32.599 19.638 1.00 42.20 H new ATOM 0 HB3 ARG A 97 10.206 31.767 18.119 1.00 42.20 H new ATOM 0 HG2 ARG A 97 9.270 33.585 17.180 1.00 12.34 H new ATOM 0 HG3 ARG A 97 8.173 33.811 18.527 1.00 12.34 H new ATOM 0 HD2 ARG A 97 10.272 34.739 19.793 1.00 51.33 H new ATOM 0 HD3 ARG A 97 10.990 34.871 18.200 1.00 51.33 H new ATOM 0 HE ARG A 97 8.378 36.082 18.181 1.00 71.44 H new ATOM 0 HH11 ARG A 97 11.672 36.547 19.359 1.00 43.23 H new ATOM 0 HH12 ARG A 97 11.544 38.309 19.366 1.00 43.23 H new ATOM 0 HH21 ARG A 97 8.222 38.346 18.190 1.00 34.51 H new ATOM 0 HH22 ARG A 97 9.600 39.323 18.707 1.00 34.51 H new ATOM 1532 N PRO A 98 8.582 29.575 18.087 1.00 43.10 N ATOM 1533 CA PRO A 98 8.781 28.172 17.712 1.00 41.25 C ATOM 1534 C PRO A 98 10.256 27.803 17.607 1.00 45.43 C ATOM 1535 O PRO A 98 11.111 28.668 17.414 1.00 51.14 O ATOM 1536 CB PRO A 98 8.107 28.072 16.341 1.00 72.42 C ATOM 1537 CG PRO A 98 8.155 29.456 15.794 1.00 51.54 C ATOM 1538 CD PRO A 98 8.035 30.375 16.978 1.00 51.23 C ATOM 0 HA PRO A 98 8.370 27.490 18.456 1.00 41.25 H new ATOM 0 HB2 PRO A 98 8.632 27.371 15.692 1.00 72.42 H new ATOM 0 HB3 PRO A 98 7.080 27.717 16.429 1.00 72.42 H new ATOM 0 HG2 PRO A 98 9.087 29.631 15.257 1.00 51.54 H new ATOM 0 HG3 PRO A 98 7.343 29.624 15.086 1.00 51.54 H new ATOM 0 HD2 PRO A 98 8.599 31.296 16.831 1.00 51.23 H new ATOM 0 HD3 PRO A 98 6.999 30.661 17.161 1.00 51.23 H new ATOM 1546 N VAL A 99 10.550 26.513 17.735 1.00 24.31 N ATOM 1547 CA VAL A 99 11.923 26.029 17.654 1.00 22.24 C ATOM 1548 C VAL A 99 12.105 25.086 16.469 1.00 21.34 C ATOM 1549 O VAL A 99 11.190 24.344 16.109 1.00 41.33 O ATOM 1550 CB VAL A 99 12.339 25.300 18.945 1.00 44.03 C ATOM 1551 CG1 VAL A 99 11.430 24.107 19.201 1.00 64.21 C ATOM 1552 CG2 VAL A 99 13.794 24.863 18.866 1.00 72.54 C ATOM 0 H VAL A 99 9.855 25.784 17.895 1.00 24.31 H new ATOM 0 HA VAL A 99 12.559 26.904 17.519 1.00 22.24 H new ATOM 0 HB VAL A 99 12.236 25.992 19.781 1.00 44.03 H new ATOM 0 HG11 VAL A 99 11.739 23.604 20.117 1.00 64.21 H new ATOM 0 HG12 VAL A 99 10.400 24.450 19.305 1.00 64.21 H new ATOM 0 HG13 VAL A 99 11.498 23.411 18.365 1.00 64.21 H new ATOM 0 HG21 VAL A 99 14.070 24.350 19.787 1.00 72.54 H new ATOM 0 HG22 VAL A 99 13.926 24.188 18.021 1.00 72.54 H new ATOM 0 HG23 VAL A 99 14.430 25.738 18.734 1.00 72.54 H new ATOM 1562 N ILE A 100 13.289 25.121 15.868 1.00 1.23 N ATOM 1563 CA ILE A 100 13.590 24.268 14.726 1.00 3.31 C ATOM 1564 C ILE A 100 13.986 22.866 15.176 1.00 44.24 C ATOM 1565 O ILE A 100 13.307 21.889 14.863 1.00 25.42 O ATOM 1566 CB ILE A 100 14.724 24.858 13.867 1.00 50.24 C ATOM 1567 CG1 ILE A 100 14.340 26.252 13.365 1.00 51.45 C ATOM 1568 CG2 ILE A 100 15.038 23.936 12.698 1.00 53.11 C ATOM 1569 CD1 ILE A 100 15.458 27.265 13.480 1.00 45.25 C ATOM 0 H ILE A 100 14.055 25.731 16.153 1.00 1.23 H new ATOM 0 HA ILE A 100 12.682 24.211 14.126 1.00 3.31 H new ATOM 0 HB ILE A 100 15.618 24.948 14.484 1.00 50.24 H new ATOM 0 HG12 ILE A 100 14.031 26.181 12.322 1.00 51.45 H new ATOM 0 HG13 ILE A 100 13.478 26.608 13.930 1.00 51.45 H new ATOM 0 HG21 ILE A 100 15.841 24.367 12.100 1.00 53.11 H new ATOM 0 HG22 ILE A 100 15.349 22.962 13.076 1.00 53.11 H new ATOM 0 HG23 ILE A 100 14.149 23.818 12.079 1.00 53.11 H new ATOM 0 HD11 ILE A 100 15.115 28.230 13.106 1.00 45.25 H new ATOM 0 HD12 ILE A 100 15.753 27.365 14.525 1.00 45.25 H new ATOM 0 HD13 ILE A 100 16.313 26.931 12.892 1.00 45.25 H new ATOM 1581 N ALA A 101 15.089 22.775 15.911 1.00 14.24 N ATOM 1582 CA ALA A 101 15.573 21.493 16.408 1.00 44.14 C ATOM 1583 C ALA A 101 15.744 21.520 17.923 1.00 63.34 C ATOM 1584 O ALA A 101 16.438 22.382 18.464 1.00 45.43 O ATOM 1585 CB ALA A 101 16.888 21.129 15.733 1.00 25.40 C ATOM 0 H ALA A 101 15.665 23.574 16.176 1.00 14.24 H new ATOM 0 HA ALA A 101 14.830 20.733 16.167 1.00 44.14 H new ATOM 0 HB1 ALA A 101 17.239 20.169 16.113 1.00 25.40 H new ATOM 0 HB2 ALA A 101 16.737 21.059 14.656 1.00 25.40 H new ATOM 0 HB3 ALA A 101 17.631 21.897 15.946 1.00 25.40 H new ATOM 1591 N CYS A 102 15.107 20.573 18.602 1.00 62.11 N ATOM 1592 CA CYS A 102 15.186 20.489 20.056 1.00 42.44 C ATOM 1593 C CYS A 102 15.877 19.199 20.489 1.00 51.22 C ATOM 1594 O CYS A 102 15.830 18.192 19.783 1.00 20.14 O ATOM 1595 CB CYS A 102 13.789 20.564 20.670 1.00 74.31 C ATOM 1596 SG CYS A 102 12.774 19.096 20.378 1.00 5.32 S ATOM 0 H CYS A 102 14.530 19.852 18.169 1.00 62.11 H new ATOM 0 HA CYS A 102 15.776 21.334 20.412 1.00 42.44 H new ATOM 0 HB2 CYS A 102 13.884 20.719 21.745 1.00 74.31 H new ATOM 0 HB3 CYS A 102 13.273 21.435 20.267 1.00 74.31 H new ATOM 0 HG CYS A 102 13.533 18.113 19.995 1.00 5.32 H new ATOM 1602 N SER A 103 16.518 19.239 21.652 1.00 42.42 N ATOM 1603 CA SER A 103 17.223 18.076 22.177 1.00 43.24 C ATOM 1604 C SER A 103 16.642 17.648 23.521 1.00 61.52 C ATOM 1605 O SER A 103 16.471 18.466 24.424 1.00 31.45 O ATOM 1606 CB SER A 103 18.715 18.382 22.328 1.00 1.21 C ATOM 1607 OG SER A 103 19.236 17.806 23.513 1.00 21.45 O ATOM 0 H SER A 103 16.564 20.065 22.249 1.00 42.42 H new ATOM 0 HA SER A 103 17.097 17.257 21.469 1.00 43.24 H new ATOM 0 HB2 SER A 103 19.258 17.998 21.464 1.00 1.21 H new ATOM 0 HB3 SER A 103 18.868 19.461 22.347 1.00 1.21 H new ATOM 0 HG SER A 103 20.198 17.654 23.407 1.00 21.45 H new ATOM 1613 N VAL A 104 16.338 16.360 23.644 1.00 44.11 N ATOM 1614 CA VAL A 104 15.775 15.821 24.876 1.00 54.11 C ATOM 1615 C VAL A 104 16.850 15.147 25.722 1.00 60.43 C ATOM 1616 O VAL A 104 17.464 14.167 25.300 1.00 4.44 O ATOM 1617 CB VAL A 104 14.655 14.805 24.586 1.00 75.52 C ATOM 1618 CG1 VAL A 104 14.104 14.231 25.882 1.00 73.21 C ATOM 1619 CG2 VAL A 104 13.548 15.454 23.767 1.00 4.33 C ATOM 0 H VAL A 104 16.472 15.670 22.905 1.00 44.11 H new ATOM 0 HA VAL A 104 15.357 16.663 25.427 1.00 54.11 H new ATOM 0 HB VAL A 104 15.074 13.984 24.004 1.00 75.52 H new ATOM 0 HG11 VAL A 104 13.314 13.515 25.656 1.00 73.21 H new ATOM 0 HG12 VAL A 104 14.904 13.729 26.426 1.00 73.21 H new ATOM 0 HG13 VAL A 104 13.699 15.037 26.494 1.00 73.21 H new ATOM 0 HG21 VAL A 104 12.764 14.723 23.571 1.00 4.33 H new ATOM 0 HG22 VAL A 104 13.130 16.294 24.322 1.00 4.33 H new ATOM 0 HG23 VAL A 104 13.956 15.811 22.822 1.00 4.33 H new ATOM 1629 N THR A 105 17.073 15.679 26.920 1.00 64.34 N ATOM 1630 CA THR A 105 18.073 15.129 27.826 1.00 51.41 C ATOM 1631 C THR A 105 17.421 14.325 28.944 1.00 51.11 C ATOM 1632 O THR A 105 16.272 14.574 29.311 1.00 52.04 O ATOM 1633 CB THR A 105 18.939 16.242 28.447 1.00 51.53 C ATOM 1634 OG1 THR A 105 18.184 16.962 29.427 1.00 41.11 O ATOM 1635 CG2 THR A 105 19.437 17.203 27.377 1.00 64.32 C ATOM 0 H THR A 105 16.574 16.490 27.285 1.00 64.34 H new ATOM 0 HA THR A 105 18.708 14.471 27.233 1.00 51.41 H new ATOM 0 HB THR A 105 19.801 15.776 28.924 1.00 51.53 H new ATOM 0 HG1 THR A 105 18.742 17.666 29.818 1.00 41.11 H new ATOM 0 HG21 THR A 105 20.046 17.979 27.840 1.00 64.32 H new ATOM 0 HG22 THR A 105 20.037 16.657 26.649 1.00 64.32 H new ATOM 0 HG23 THR A 105 18.585 17.661 26.875 1.00 64.32 H new ATOM 1643 N ILE A 106 18.160 13.361 29.482 1.00 12.14 N ATOM 1644 CA ILE A 106 17.653 12.522 30.561 1.00 44.11 C ATOM 1645 C ILE A 106 18.224 12.952 31.908 1.00 33.21 C ATOM 1646 O ILE A 106 19.346 13.452 31.988 1.00 14.13 O ATOM 1647 CB ILE A 106 17.989 11.038 30.324 1.00 25.13 C ATOM 1648 CG1 ILE A 106 17.281 10.161 31.359 1.00 20.04 C ATOM 1649 CG2 ILE A 106 19.494 10.820 30.377 1.00 33.31 C ATOM 1650 CD1 ILE A 106 16.825 8.827 30.811 1.00 5.50 C ATOM 0 H ILE A 106 19.112 13.141 29.188 1.00 12.14 H new ATOM 0 HA ILE A 106 16.570 12.644 30.573 1.00 44.11 H new ATOM 0 HB ILE A 106 17.636 10.755 29.333 1.00 25.13 H new ATOM 0 HG12 ILE A 106 17.954 9.989 32.199 1.00 20.04 H new ATOM 0 HG13 ILE A 106 16.417 10.699 31.749 1.00 20.04 H new ATOM 0 HG21 ILE A 106 19.715 9.766 30.208 1.00 33.31 H new ATOM 0 HG22 ILE A 106 19.976 11.420 29.606 1.00 33.31 H new ATOM 0 HG23 ILE A 106 19.870 11.117 31.356 1.00 33.31 H new ATOM 0 HD11 ILE A 106 16.332 8.259 31.600 1.00 5.50 H new ATOM 0 HD12 ILE A 106 16.126 8.990 29.990 1.00 5.50 H new ATOM 0 HD13 ILE A 106 17.688 8.269 30.447 1.00 5.50 H new ATOM 1662 N LYS A 107 17.445 12.752 32.965 1.00 0.05 N ATOM 1663 CA LYS A 107 17.872 13.116 34.311 1.00 51.41 C ATOM 1664 C LYS A 107 18.099 11.873 35.164 1.00 1.43 C ATOM 1665 O LYS A 107 17.149 11.201 35.564 1.00 64.43 O ATOM 1666 CB LYS A 107 16.830 14.019 34.973 1.00 24.41 C ATOM 1667 CG LYS A 107 17.365 14.793 36.167 1.00 62.44 C ATOM 1668 CD LYS A 107 17.558 16.263 35.835 1.00 31.34 C ATOM 1669 CE LYS A 107 17.742 17.098 37.093 1.00 4.34 C ATOM 1670 NZ LYS A 107 18.753 18.174 36.902 1.00 75.42 N ATOM 0 H LYS A 107 16.513 12.339 32.916 1.00 0.05 H new ATOM 0 HA LYS A 107 18.814 13.658 34.232 1.00 51.41 H new ATOM 0 HB2 LYS A 107 16.451 14.725 34.234 1.00 24.41 H new ATOM 0 HB3 LYS A 107 15.985 13.410 35.295 1.00 24.41 H new ATOM 0 HG2 LYS A 107 16.674 14.695 37.005 1.00 62.44 H new ATOM 0 HG3 LYS A 107 18.315 14.363 36.485 1.00 62.44 H new ATOM 0 HD2 LYS A 107 18.428 16.380 35.189 1.00 31.34 H new ATOM 0 HD3 LYS A 107 16.695 16.628 35.278 1.00 31.34 H new ATOM 0 HE2 LYS A 107 16.788 17.542 37.377 1.00 4.34 H new ATOM 0 HE3 LYS A 107 18.050 16.452 37.915 1.00 4.34 H new ATOM 0 HZ1 LYS A 107 18.849 18.720 37.782 1.00 75.42 H new ATOM 0 HZ2 LYS A 107 19.670 17.749 36.656 1.00 75.42 H new ATOM 0 HZ3 LYS A 107 18.447 18.805 36.134 1.00 75.42 H new ATOM 1684 N GLU A 108 19.365 11.573 35.442 1.00 21.34 N ATOM 1685 CA GLU A 108 19.715 10.410 36.249 1.00 60.33 C ATOM 1686 C GLU A 108 19.384 10.649 37.720 1.00 73.21 C ATOM 1687 O GLU A 108 19.778 11.660 38.299 1.00 22.52 O ATOM 1688 CB GLU A 108 21.202 10.084 36.096 1.00 11.51 C ATOM 1689 CG GLU A 108 22.120 11.211 36.537 1.00 1.33 C ATOM 1690 CD GLU A 108 23.183 11.535 35.506 1.00 40.43 C ATOM 1691 OE1 GLU A 108 22.817 11.861 34.357 1.00 23.01 O ATOM 1692 OE2 GLU A 108 24.383 11.464 35.847 1.00 31.55 O ATOM 0 H GLU A 108 20.164 12.119 35.120 1.00 21.34 H new ATOM 0 HA GLU A 108 19.127 9.564 35.895 1.00 60.33 H new ATOM 0 HB2 GLU A 108 21.431 9.191 36.678 1.00 11.51 H new ATOM 0 HB3 GLU A 108 21.408 9.846 35.052 1.00 11.51 H new ATOM 0 HG2 GLU A 108 21.525 12.103 36.733 1.00 1.33 H new ATOM 0 HG3 GLU A 108 22.601 10.936 37.476 1.00 1.33 H new ATOM 1699 N GLY A 109 18.657 9.710 38.317 1.00 61.42 N ATOM 1700 CA GLY A 109 18.283 9.837 39.713 1.00 44.22 C ATOM 1701 C GLY A 109 16.841 10.266 39.892 1.00 64.41 C ATOM 1702 O GLY A 109 16.478 10.838 40.919 1.00 42.33 O ATOM 0 H GLY A 109 18.320 8.863 37.859 1.00 61.42 H new ATOM 0 HA2 GLY A 109 18.440 8.883 40.216 1.00 44.22 H new ATOM 0 HA3 GLY A 109 18.937 10.563 40.196 1.00 44.22 H new ATOM 1706 N SER A 110 16.014 9.988 38.888 1.00 53.22 N ATOM 1707 CA SER A 110 14.604 10.354 38.936 1.00 33.11 C ATOM 1708 C SER A 110 13.746 9.307 38.233 1.00 23.55 C ATOM 1709 O SER A 110 14.228 8.571 37.372 1.00 15.33 O ATOM 1710 CB SER A 110 14.388 11.724 38.289 1.00 2.02 C ATOM 1711 OG SER A 110 15.622 12.318 37.927 1.00 42.31 O ATOM 0 H SER A 110 16.297 9.511 38.032 1.00 53.22 H new ATOM 0 HA SER A 110 14.303 10.402 39.982 1.00 33.11 H new ATOM 0 HB2 SER A 110 13.759 11.617 37.405 1.00 2.02 H new ATOM 0 HB3 SER A 110 13.856 12.377 38.981 1.00 2.02 H new ATOM 0 HG SER A 110 15.987 11.860 37.141 1.00 42.31 H new ATOM 1717 N GLN A 111 12.473 9.244 38.609 1.00 72.31 N ATOM 1718 CA GLN A 111 11.548 8.286 38.016 1.00 64.10 C ATOM 1719 C GLN A 111 11.258 8.638 36.560 1.00 2.15 C ATOM 1720 O GLN A 111 10.928 7.768 35.754 1.00 70.30 O ATOM 1721 CB GLN A 111 10.242 8.245 38.813 1.00 24.12 C ATOM 1722 CG GLN A 111 9.539 9.590 38.898 1.00 22.14 C ATOM 1723 CD GLN A 111 9.438 10.106 40.320 1.00 20.02 C ATOM 1724 OE1 GLN A 111 10.414 10.086 41.071 1.00 34.23 O ATOM 1725 NE2 GLN A 111 8.253 10.571 40.699 1.00 53.21 N ATOM 0 H GLN A 111 12.059 9.845 39.321 1.00 72.31 H new ATOM 0 HA GLN A 111 12.015 7.302 38.047 1.00 64.10 H new ATOM 0 HB2 GLN A 111 9.569 7.521 38.354 1.00 24.12 H new ATOM 0 HB3 GLN A 111 10.453 7.890 39.822 1.00 24.12 H new ATOM 0 HG2 GLN A 111 10.077 10.316 38.289 1.00 22.14 H new ATOM 0 HG3 GLN A 111 8.538 9.500 38.476 1.00 22.14 H new ATOM 0 HE21 GLN A 111 7.471 10.569 40.044 1.00 53.21 H new ATOM 0 HE22 GLN A 111 8.125 10.930 41.645 1.00 53.21 H new ATOM 1734 N LEU A 112 11.383 9.919 36.231 1.00 34.23 N ATOM 1735 CA LEU A 112 11.134 10.387 34.871 1.00 13.14 C ATOM 1736 C LEU A 112 11.999 9.630 33.869 1.00 32.22 C ATOM 1737 O LEU A 112 11.642 9.503 32.697 1.00 71.03 O ATOM 1738 CB LEU A 112 11.409 11.888 34.770 1.00 2.02 C ATOM 1739 CG LEU A 112 10.312 12.728 34.116 1.00 54.43 C ATOM 1740 CD1 LEU A 112 9.367 13.286 35.168 1.00 21.23 C ATOM 1741 CD2 LEU A 112 10.923 13.856 33.294 1.00 61.30 C ATOM 0 H LEU A 112 11.655 10.652 36.886 1.00 34.23 H new ATOM 0 HA LEU A 112 10.087 10.199 34.633 1.00 13.14 H new ATOM 0 HB2 LEU A 112 11.584 12.273 35.774 1.00 2.02 H new ATOM 0 HB3 LEU A 112 12.332 12.031 34.208 1.00 2.02 H new ATOM 0 HG LEU A 112 9.739 12.085 33.447 1.00 54.43 H new ATOM 0 HD11 LEU A 112 8.593 13.881 34.683 1.00 21.23 H new ATOM 0 HD12 LEU A 112 8.904 12.464 35.714 1.00 21.23 H new ATOM 0 HD13 LEU A 112 9.925 13.914 35.862 1.00 21.23 H new ATOM 0 HD21 LEU A 112 10.128 14.444 32.835 1.00 61.30 H new ATOM 0 HD22 LEU A 112 11.520 14.497 33.943 1.00 61.30 H new ATOM 0 HD23 LEU A 112 11.559 13.435 32.515 1.00 61.30 H new ATOM 1753 N LYS A 113 13.136 9.128 34.336 1.00 22.23 N ATOM 1754 CA LYS A 113 14.051 8.380 33.482 1.00 22.01 C ATOM 1755 C LYS A 113 13.321 7.254 32.757 1.00 45.12 C ATOM 1756 O LYS A 113 13.695 6.874 31.648 1.00 74.25 O ATOM 1757 CB LYS A 113 15.202 7.805 34.313 1.00 70.35 C ATOM 1758 CG LYS A 113 14.795 6.629 35.184 1.00 73.23 C ATOM 1759 CD LYS A 113 15.886 6.268 36.177 1.00 22.11 C ATOM 1760 CE LYS A 113 15.690 4.866 36.735 1.00 72.41 C ATOM 1761 NZ LYS A 113 15.765 4.845 38.221 1.00 44.10 N ATOM 0 H LYS A 113 13.447 9.225 35.303 1.00 22.23 H new ATOM 0 HA LYS A 113 14.456 9.065 32.737 1.00 22.01 H new ATOM 0 HB2 LYS A 113 16.001 7.490 33.642 1.00 70.35 H new ATOM 0 HB3 LYS A 113 15.610 8.592 34.947 1.00 70.35 H new ATOM 0 HG2 LYS A 113 13.879 6.873 35.721 1.00 73.23 H new ATOM 0 HG3 LYS A 113 14.575 5.767 34.554 1.00 73.23 H new ATOM 0 HD2 LYS A 113 16.859 6.334 35.690 1.00 22.11 H new ATOM 0 HD3 LYS A 113 15.889 6.989 36.994 1.00 22.11 H new ATOM 0 HE2 LYS A 113 14.722 4.480 36.415 1.00 72.41 H new ATOM 0 HE3 LYS A 113 16.450 4.202 36.324 1.00 72.41 H new ATOM 0 HZ1 LYS A 113 15.627 3.872 38.562 1.00 44.10 H new ATOM 0 HZ2 LYS A 113 16.698 5.189 38.526 1.00 44.10 H new ATOM 0 HZ3 LYS A 113 15.023 5.459 38.615 1.00 44.10 H new ATOM 1775 N GLN A 114 12.280 6.725 33.391 1.00 31.03 N ATOM 1776 CA GLN A 114 11.498 5.643 32.804 1.00 11.35 C ATOM 1777 C GLN A 114 10.519 6.180 31.767 1.00 72.22 C ATOM 1778 O GLN A 114 10.351 5.595 30.697 1.00 53.44 O ATOM 1779 CB GLN A 114 10.739 4.885 33.895 1.00 35.13 C ATOM 1780 CG GLN A 114 10.222 3.528 33.446 1.00 20.14 C ATOM 1781 CD GLN A 114 10.400 2.456 34.504 1.00 72.21 C ATOM 1782 OE1 GLN A 114 9.600 2.347 35.433 1.00 24.11 O ATOM 1783 NE2 GLN A 114 11.453 1.659 34.367 1.00 61.43 N ATOM 0 H GLN A 114 11.958 7.028 34.310 1.00 31.03 H new ATOM 0 HA GLN A 114 12.186 4.959 32.307 1.00 11.35 H new ATOM 0 HB2 GLN A 114 11.395 4.748 34.754 1.00 35.13 H new ATOM 0 HB3 GLN A 114 9.898 5.492 34.230 1.00 35.13 H new ATOM 0 HG2 GLN A 114 9.165 3.612 33.193 1.00 20.14 H new ATOM 0 HG3 GLN A 114 10.744 3.227 32.538 1.00 20.14 H new ATOM 0 HE21 GLN A 114 12.090 1.786 33.581 1.00 61.43 H new ATOM 0 HE22 GLN A 114 11.625 0.919 35.048 1.00 61.43 H new ATOM 1792 N GLN A 115 9.873 7.296 32.090 1.00 50.22 N ATOM 1793 CA GLN A 115 8.909 7.911 31.185 1.00 5.50 C ATOM 1794 C GLN A 115 9.532 8.163 29.816 1.00 44.31 C ATOM 1795 O GLN A 115 9.027 7.690 28.797 1.00 51.12 O ATOM 1796 CB GLN A 115 8.392 9.225 31.773 1.00 62.51 C ATOM 1797 CG GLN A 115 6.881 9.266 31.933 1.00 10.33 C ATOM 1798 CD GLN A 115 6.238 10.378 31.128 1.00 10.24 C ATOM 1799 OE1 GLN A 115 5.671 11.317 31.688 1.00 55.33 O ATOM 1800 NE2 GLN A 115 6.324 10.279 29.807 1.00 42.32 N ATOM 0 H GLN A 115 10.000 7.793 32.972 1.00 50.22 H new ATOM 0 HA GLN A 115 8.073 7.222 31.062 1.00 5.50 H new ATOM 0 HB2 GLN A 115 8.857 9.386 32.746 1.00 62.51 H new ATOM 0 HB3 GLN A 115 8.704 10.049 31.131 1.00 62.51 H new ATOM 0 HG2 GLN A 115 6.461 8.309 31.623 1.00 10.33 H new ATOM 0 HG3 GLN A 115 6.635 9.396 32.987 1.00 10.33 H new ATOM 0 HE21 GLN A 115 6.803 9.483 29.385 1.00 42.32 H new ATOM 0 HE22 GLN A 115 5.911 10.998 29.214 1.00 42.32 H new ATOM 1809 N ILE A 116 10.632 8.909 29.800 1.00 32.51 N ATOM 1810 CA ILE A 116 11.323 9.223 28.555 1.00 10.43 C ATOM 1811 C ILE A 116 11.731 7.952 27.819 1.00 42.52 C ATOM 1812 O ILE A 116 11.737 7.911 26.589 1.00 21.24 O ATOM 1813 CB ILE A 116 12.576 10.082 28.810 1.00 62.14 C ATOM 1814 CG1 ILE A 116 12.194 11.384 29.516 1.00 51.41 C ATOM 1815 CG2 ILE A 116 13.292 10.374 27.500 1.00 72.44 C ATOM 1816 CD1 ILE A 116 13.111 11.738 30.667 1.00 33.33 C ATOM 0 H ILE A 116 11.063 9.307 30.634 1.00 32.51 H new ATOM 0 HA ILE A 116 10.625 9.788 27.938 1.00 10.43 H new ATOM 0 HB ILE A 116 13.254 9.526 29.457 1.00 62.14 H new ATOM 0 HG12 ILE A 116 12.204 12.198 28.791 1.00 51.41 H new ATOM 0 HG13 ILE A 116 11.173 11.300 29.888 1.00 51.41 H new ATOM 0 HG21 ILE A 116 14.175 10.982 27.696 1.00 72.44 H new ATOM 0 HG22 ILE A 116 13.593 9.436 27.033 1.00 72.44 H new ATOM 0 HG23 ILE A 116 12.621 10.914 26.831 1.00 72.44 H new ATOM 0 HD11 ILE A 116 12.781 12.672 31.121 1.00 33.33 H new ATOM 0 HD12 ILE A 116 13.083 10.943 31.412 1.00 33.33 H new ATOM 0 HD13 ILE A 116 14.130 11.854 30.298 1.00 33.33 H new ATOM 1828 N GLN A 117 12.073 6.918 28.580 1.00 64.24 N ATOM 1829 CA GLN A 117 12.483 5.644 27.998 1.00 12.24 C ATOM 1830 C GLN A 117 11.316 4.974 27.280 1.00 5.52 C ATOM 1831 O GLN A 117 11.509 4.246 26.307 1.00 1.11 O ATOM 1832 CB GLN A 117 13.030 4.716 29.084 1.00 61.11 C ATOM 1833 CG GLN A 117 14.498 4.367 28.902 1.00 54.35 C ATOM 1834 CD GLN A 117 14.823 2.957 29.353 1.00 41.13 C ATOM 1835 OE1 GLN A 117 14.043 2.325 30.066 1.00 34.40 O ATOM 1836 NE2 GLN A 117 15.980 2.454 28.938 1.00 63.32 N ATOM 0 H GLN A 117 12.075 6.936 29.600 1.00 64.24 H new ATOM 0 HA GLN A 117 13.269 5.842 27.269 1.00 12.24 H new ATOM 0 HB2 GLN A 117 12.895 5.189 30.057 1.00 61.11 H new ATOM 0 HB3 GLN A 117 12.445 3.796 29.093 1.00 61.11 H new ATOM 0 HG2 GLN A 117 14.767 4.479 27.852 1.00 54.35 H new ATOM 0 HG3 GLN A 117 15.108 5.074 29.464 1.00 54.35 H new ATOM 0 HE21 GLN A 117 16.597 3.013 28.348 1.00 63.32 H new ATOM 0 HE22 GLN A 117 16.252 1.509 29.209 1.00 63.32 H new ATOM 1845 N SER A 118 10.105 5.225 27.767 1.00 24.21 N ATOM 1846 CA SER A 118 8.906 4.641 27.175 1.00 40.44 C ATOM 1847 C SER A 118 8.746 5.086 25.725 1.00 50.45 C ATOM 1848 O SER A 118 8.501 4.270 24.836 1.00 31.45 O ATOM 1849 CB SER A 118 7.669 5.037 27.981 1.00 32.34 C ATOM 1850 OG SER A 118 6.946 3.892 28.402 1.00 54.31 O ATOM 0 H SER A 118 9.928 5.829 28.570 1.00 24.21 H new ATOM 0 HA SER A 118 9.011 3.556 27.195 1.00 40.44 H new ATOM 0 HB2 SER A 118 7.970 5.621 28.851 1.00 32.34 H new ATOM 0 HB3 SER A 118 7.025 5.675 27.375 1.00 32.34 H new ATOM 0 HG SER A 118 6.161 4.172 28.917 1.00 54.31 H new ATOM 1856 N ILE A 119 8.887 6.387 25.493 1.00 1.21 N ATOM 1857 CA ILE A 119 8.759 6.942 24.150 1.00 2.23 C ATOM 1858 C ILE A 119 10.050 6.766 23.358 1.00 23.12 C ATOM 1859 O ILE A 119 10.027 6.660 22.132 1.00 31.44 O ATOM 1860 CB ILE A 119 8.395 8.438 24.192 1.00 3.21 C ATOM 1861 CG1 ILE A 119 8.046 8.939 22.789 1.00 34.44 C ATOM 1862 CG2 ILE A 119 9.544 9.246 24.779 1.00 60.52 C ATOM 1863 CD1 ILE A 119 7.033 10.064 22.784 1.00 3.33 C ATOM 0 H ILE A 119 9.090 7.076 26.217 1.00 1.21 H new ATOM 0 HA ILE A 119 7.956 6.395 23.657 1.00 2.23 H new ATOM 0 HB ILE A 119 7.522 8.567 24.831 1.00 3.21 H new ATOM 0 HG12 ILE A 119 8.957 9.279 22.296 1.00 34.44 H new ATOM 0 HG13 ILE A 119 7.657 8.108 22.201 1.00 34.44 H new ATOM 0 HG21 ILE A 119 9.272 10.301 24.802 1.00 60.52 H new ATOM 0 HG22 ILE A 119 9.750 8.902 25.793 1.00 60.52 H new ATOM 0 HG23 ILE A 119 10.434 9.114 24.163 1.00 60.52 H new ATOM 0 HD11 ILE A 119 6.833 10.369 21.757 1.00 3.33 H new ATOM 0 HD12 ILE A 119 6.108 9.722 23.248 1.00 3.33 H new ATOM 0 HD13 ILE A 119 7.428 10.912 23.344 1.00 3.33 H new ATOM 1875 N GLN A 120 11.173 6.734 24.067 1.00 41.10 N ATOM 1876 CA GLN A 120 12.474 6.570 23.428 1.00 24.14 C ATOM 1877 C GLN A 120 12.478 5.355 22.505 1.00 23.44 C ATOM 1878 O GLN A 120 13.006 5.410 21.395 1.00 33.33 O ATOM 1879 CB GLN A 120 13.570 6.424 24.486 1.00 74.34 C ATOM 1880 CG GLN A 120 14.977 6.523 23.920 1.00 42.44 C ATOM 1881 CD GLN A 120 15.994 5.762 24.748 1.00 1.44 C ATOM 1882 OE1 GLN A 120 16.140 6.150 26.010 1.00 13.53 O flip ATOM 1883 NE2 GLN A 120 16.642 4.836 24.260 1.00 61.21 N flip ATOM 0 H GLN A 120 11.209 6.819 25.083 1.00 41.10 H new ATOM 0 HA GLN A 120 12.672 7.459 22.829 1.00 24.14 H new ATOM 0 HB2 GLN A 120 13.437 7.196 25.244 1.00 74.34 H new ATOM 0 HB3 GLN A 120 13.455 5.462 24.986 1.00 74.34 H new ATOM 0 HG2 GLN A 120 14.982 6.137 22.901 1.00 42.44 H new ATOM 0 HG3 GLN A 120 15.270 7.572 23.866 1.00 42.44 H new ATOM 0 HE21 GLN A 120 16.498 4.571 23.286 1.00 61.21 H new ATOM 0 HE22 GLN A 120 17.323 4.334 24.830 1.00 61.21 H new ATOM 1892 N GLN A 121 11.886 4.261 22.972 1.00 24.44 N ATOM 1893 CA GLN A 121 11.823 3.033 22.188 1.00 33.24 C ATOM 1894 C GLN A 121 10.939 3.217 20.959 1.00 53.35 C ATOM 1895 O GLN A 121 11.135 2.559 19.938 1.00 71.14 O ATOM 1896 CB GLN A 121 11.290 1.883 23.046 1.00 40.44 C ATOM 1897 CG GLN A 121 9.796 1.965 23.314 1.00 40.01 C ATOM 1898 CD GLN A 121 8.986 1.093 22.375 1.00 43.14 C ATOM 1899 OE1 GLN A 121 9.177 -0.123 22.318 1.00 12.13 O ATOM 1900 NE2 GLN A 121 8.076 1.709 21.631 1.00 31.44 N ATOM 0 H GLN A 121 11.443 4.200 23.889 1.00 24.44 H new ATOM 0 HA GLN A 121 12.832 2.792 21.855 1.00 33.24 H new ATOM 0 HB2 GLN A 121 11.510 0.938 22.549 1.00 40.44 H new ATOM 0 HB3 GLN A 121 11.821 1.874 23.998 1.00 40.44 H new ATOM 0 HG2 GLN A 121 9.598 1.665 24.343 1.00 40.01 H new ATOM 0 HG3 GLN A 121 9.469 3.000 23.215 1.00 40.01 H new ATOM 0 HE21 GLN A 121 7.951 2.718 21.710 1.00 31.44 H new ATOM 0 HE22 GLN A 121 7.502 1.173 20.980 1.00 31.44 H new ATOM 1909 N SER A 122 9.967 4.117 21.064 1.00 22.14 N ATOM 1910 CA SER A 122 9.051 4.384 19.962 1.00 74.10 C ATOM 1911 C SER A 122 9.812 4.843 18.722 1.00 43.52 C ATOM 1912 O SER A 122 9.647 4.285 17.638 1.00 60.44 O ATOM 1913 CB SER A 122 8.028 5.448 20.367 1.00 4.24 C ATOM 1914 OG SER A 122 6.757 5.175 19.803 1.00 73.25 O ATOM 0 H SER A 122 9.794 4.674 21.901 1.00 22.14 H new ATOM 0 HA SER A 122 8.528 3.457 19.725 1.00 74.10 H new ATOM 0 HB2 SER A 122 7.947 5.484 21.453 1.00 4.24 H new ATOM 0 HB3 SER A 122 8.371 6.430 20.040 1.00 4.24 H new ATOM 0 HG SER A 122 6.121 5.868 20.078 1.00 73.25 H new ATOM 1920 N ILE A 123 10.647 5.863 18.892 1.00 62.41 N ATOM 1921 CA ILE A 123 11.435 6.395 17.787 1.00 51.15 C ATOM 1922 C ILE A 123 12.561 5.441 17.405 1.00 70.32 C ATOM 1923 O ILE A 123 12.878 5.280 16.226 1.00 14.11 O ATOM 1924 CB ILE A 123 12.038 7.769 18.137 1.00 41.11 C ATOM 1925 CG1 ILE A 123 10.953 8.704 18.674 1.00 13.14 C ATOM 1926 CG2 ILE A 123 12.713 8.377 16.916 1.00 3.53 C ATOM 1927 CD1 ILE A 123 11.471 10.073 19.058 1.00 21.22 C ATOM 0 H ILE A 123 10.795 6.337 19.783 1.00 62.41 H new ATOM 0 HA ILE A 123 10.757 6.509 16.941 1.00 51.15 H new ATOM 0 HB ILE A 123 12.790 7.633 18.914 1.00 41.11 H new ATOM 0 HG12 ILE A 123 10.176 8.817 17.918 1.00 13.14 H new ATOM 0 HG13 ILE A 123 10.486 8.244 19.545 1.00 13.14 H new ATOM 0 HG21 ILE A 123 13.134 9.347 17.179 1.00 3.53 H new ATOM 0 HG22 ILE A 123 13.509 7.716 16.574 1.00 3.53 H new ATOM 0 HG23 ILE A 123 11.979 8.503 16.120 1.00 3.53 H new ATOM 0 HD11 ILE A 123 10.647 10.682 19.430 1.00 21.22 H new ATOM 0 HD12 ILE A 123 12.227 9.971 19.836 1.00 21.22 H new ATOM 0 HD13 ILE A 123 11.912 10.553 18.185 1.00 21.22 H new ATOM 1939 N GLU A 124 13.161 4.809 18.408 1.00 21.15 N ATOM 1940 CA GLU A 124 14.251 3.869 18.177 1.00 33.13 C ATOM 1941 C GLU A 124 13.811 2.743 17.245 1.00 34.31 C ATOM 1942 O GLU A 124 14.545 2.351 16.338 1.00 20.54 O ATOM 1943 CB GLU A 124 14.742 3.286 19.504 1.00 62.31 C ATOM 1944 CG GLU A 124 16.249 3.100 19.566 1.00 22.33 C ATOM 1945 CD GLU A 124 16.742 2.804 20.969 1.00 24.54 C ATOM 1946 OE1 GLU A 124 16.117 3.292 21.933 1.00 24.44 O ATOM 1947 OE2 GLU A 124 17.753 2.083 21.102 1.00 21.22 O ATOM 0 H GLU A 124 12.910 4.931 19.389 1.00 21.15 H new ATOM 0 HA GLU A 124 15.069 4.411 17.702 1.00 33.13 H new ATOM 0 HB2 GLU A 124 14.432 3.943 20.317 1.00 62.31 H new ATOM 0 HB3 GLU A 124 14.258 2.323 19.669 1.00 62.31 H new ATOM 0 HG2 GLU A 124 16.538 2.284 18.903 1.00 22.33 H new ATOM 0 HG3 GLU A 124 16.738 4.001 19.195 1.00 22.33 H new ATOM 1954 N ARG A 125 12.607 2.229 17.477 1.00 1.42 N ATOM 1955 CA ARG A 125 12.069 1.147 16.661 1.00 74.24 C ATOM 1956 C ARG A 125 11.774 1.630 15.244 1.00 54.12 C ATOM 1957 O ARG A 125 11.883 0.870 14.281 1.00 51.33 O ATOM 1958 CB ARG A 125 10.794 0.586 17.295 1.00 52.12 C ATOM 1959 CG ARG A 125 11.049 -0.560 18.259 1.00 21.24 C ATOM 1960 CD ARG A 125 9.802 -0.900 19.061 1.00 13.03 C ATOM 1961 NE ARG A 125 8.925 -1.823 18.346 1.00 33.22 N ATOM 1962 CZ ARG A 125 7.905 -2.458 18.914 1.00 71.02 C ATOM 1963 NH1 ARG A 125 7.636 -2.270 20.198 1.00 35.13 N ATOM 1964 NH2 ARG A 125 7.153 -3.282 18.197 1.00 74.01 N ATOM 0 H ARG A 125 11.986 2.544 18.223 1.00 1.42 H new ATOM 0 HA ARG A 125 12.819 0.358 16.609 1.00 74.24 H new ATOM 0 HB2 ARG A 125 10.278 1.387 17.824 1.00 52.12 H new ATOM 0 HB3 ARG A 125 10.125 0.244 16.505 1.00 52.12 H new ATOM 0 HG2 ARG A 125 11.377 -1.439 17.703 1.00 21.24 H new ATOM 0 HG3 ARG A 125 11.858 -0.293 18.938 1.00 21.24 H new ATOM 0 HD2 ARG A 125 10.093 -1.342 20.014 1.00 13.03 H new ATOM 0 HD3 ARG A 125 9.256 0.016 19.288 1.00 13.03 H new ATOM 0 HE ARG A 125 9.105 -1.990 17.356 1.00 33.22 H new ATOM 0 HH11 ARG A 125 8.212 -1.637 20.752 1.00 35.13 H new ATOM 0 HH12 ARG A 125 6.853 -2.758 20.632 1.00 35.13 H new ATOM 0 HH21 ARG A 125 7.357 -3.429 17.209 1.00 74.01 H new ATOM 0 HH22 ARG A 125 6.370 -3.769 18.634 1.00 74.01 H new ATOM 1978 N LEU A 126 11.399 2.899 15.123 1.00 51.31 N ATOM 1979 CA LEU A 126 11.088 3.485 13.824 1.00 53.23 C ATOM 1980 C LEU A 126 12.343 3.602 12.964 1.00 0.03 C ATOM 1981 O LEU A 126 12.295 3.415 11.748 1.00 43.12 O ATOM 1982 CB LEU A 126 10.449 4.864 14.003 1.00 65.11 C ATOM 1983 CG LEU A 126 9.103 5.074 13.310 1.00 13.01 C ATOM 1984 CD1 LEU A 126 8.617 6.501 13.511 1.00 71.34 C ATOM 1985 CD2 LEU A 126 9.210 4.749 11.827 1.00 70.22 C ATOM 0 H LEU A 126 11.303 3.542 15.909 1.00 51.31 H new ATOM 0 HA LEU A 126 10.382 2.827 13.317 1.00 53.23 H new ATOM 0 HB2 LEU A 126 10.318 5.046 15.070 1.00 65.11 H new ATOM 0 HB3 LEU A 126 11.146 5.616 13.634 1.00 65.11 H new ATOM 0 HG LEU A 126 8.375 4.397 13.758 1.00 13.01 H new ATOM 0 HD11 LEU A 126 7.657 6.632 13.011 1.00 71.34 H new ATOM 0 HD12 LEU A 126 8.501 6.699 14.577 1.00 71.34 H new ATOM 0 HD13 LEU A 126 9.344 7.196 13.090 1.00 71.34 H new ATOM 0 HD21 LEU A 126 8.242 4.904 11.350 1.00 70.22 H new ATOM 0 HD22 LEU A 126 9.951 5.400 11.364 1.00 70.22 H new ATOM 0 HD23 LEU A 126 9.513 3.709 11.703 1.00 70.22 H new ATOM 1997 N LEU A 127 13.465 3.910 13.605 1.00 54.43 N ATOM 1998 CA LEU A 127 14.735 4.050 12.899 1.00 23.22 C ATOM 1999 C LEU A 127 15.208 2.704 12.359 1.00 3.22 C ATOM 2000 O LEU A 127 15.362 2.528 11.150 1.00 14.10 O ATOM 2001 CB LEU A 127 15.796 4.640 13.830 1.00 32.42 C ATOM 2002 CG LEU A 127 15.601 6.104 14.226 1.00 42.05 C ATOM 2003 CD1 LEU A 127 16.698 6.549 15.181 1.00 24.22 C ATOM 2004 CD2 LEU A 127 15.576 6.992 12.990 1.00 14.04 C ATOM 0 H LEU A 127 13.522 4.068 14.611 1.00 54.43 H new ATOM 0 HA LEU A 127 14.583 4.726 12.057 1.00 23.22 H new ATOM 0 HB2 LEU A 127 15.828 4.039 14.739 1.00 32.42 H new ATOM 0 HB3 LEU A 127 16.769 4.541 13.349 1.00 32.42 H new ATOM 0 HG LEU A 127 14.642 6.198 14.736 1.00 42.05 H new ATOM 0 HD11 LEU A 127 16.543 7.593 15.452 1.00 24.22 H new ATOM 0 HD12 LEU A 127 16.670 5.933 16.080 1.00 24.22 H new ATOM 0 HD13 LEU A 127 17.668 6.440 14.697 1.00 24.22 H new ATOM 0 HD21 LEU A 127 15.436 8.030 13.291 1.00 14.04 H new ATOM 0 HD22 LEU A 127 16.519 6.894 12.452 1.00 14.04 H new ATOM 0 HD23 LEU A 127 14.755 6.689 12.341 1.00 14.04 H new ATOM 2016 N VAL A 128 15.435 1.756 13.263 1.00 44.13 N ATOM 2017 CA VAL A 128 15.888 0.424 12.876 1.00 34.24 C ATOM 2018 C VAL A 128 14.748 -0.585 12.949 1.00 22.11 C ATOM 2019 O VAL A 128 14.193 -0.985 11.925 1.00 33.25 O ATOM 2020 CB VAL A 128 17.043 -0.057 13.774 1.00 40.34 C ATOM 2021 CG1 VAL A 128 17.561 -1.407 13.299 1.00 14.22 C ATOM 2022 CG2 VAL A 128 18.163 0.973 13.799 1.00 74.24 C ATOM 0 H VAL A 128 15.313 1.885 14.267 1.00 44.13 H new ATOM 0 HA VAL A 128 16.242 0.495 11.847 1.00 34.24 H new ATOM 0 HB VAL A 128 16.666 -0.175 14.790 1.00 40.34 H new ATOM 0 HG11 VAL A 128 18.377 -1.731 13.945 1.00 14.22 H new ATOM 0 HG12 VAL A 128 16.755 -2.140 13.337 1.00 14.22 H new ATOM 0 HG13 VAL A 128 17.923 -1.318 12.275 1.00 14.22 H new ATOM 0 HG21 VAL A 128 18.971 0.617 14.438 1.00 74.24 H new ATOM 0 HG22 VAL A 128 18.541 1.125 12.788 1.00 74.24 H new ATOM 0 HG23 VAL A 128 17.781 1.916 14.189 1.00 74.24 H new TER 2032 VAL A 128