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= 0.725 K(o=1.5,f=-0.59) USER MOD Set 1.2: A 115 GLN : amide:sc= 0.771 K(o=1.5,f=-0.0093) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.0457 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -3.53 K(o=-3.5,f=-5.2!) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc=-0.00128 (180deg=-0.114) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 79:sc= -0.624 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 X(o=0,f=-0.26) USER MOD Single : A 29 SER OG : rot -140:sc= -3.13! USER MOD Single : A 30 CYS SG : rot -20:sc= 0.699 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.015) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= -0.475 (180deg=-0.504) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -95:sc= 1.24 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 5:sc= -0.0237 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.455 USER MOD Single : A 56 MET CE :methyl -111:sc= -4.17 (180deg=-13.3!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 73 CYS SG : rot -113:sc= 0.255 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 6:sc= 0.468 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 93:sc= -0.298 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0899 USER MOD Single : A 102 CYS SG : rot -8:sc= -4.42! USER MOD Single : A 103 SER OG : rot 180:sc= -0.456 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00233 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 170:sc= -0.223 USER MOD Single : A 111 GLN : amide:sc= -0.0773 X(o=-0.077,f=-0.37) 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=-0.24) USER MOD Single : A 117 GLN : amide:sc= -1.35 K(o=-1.4,f=-5.6!) USER MOD Single : A 118 SER OG : rot 87:sc= 0.0117 USER MOD Single : A 120 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.800 5.770 -10.142 1.00 0.00 N ATOM 2 CA MET A 1 7.776 6.674 -8.999 1.00 52.33 C ATOM 3 C MET A 1 8.735 7.842 -9.208 1.00 32.34 C ATOM 4 O MET A 1 9.743 7.713 -9.905 1.00 4.00 O ATOM 5 CB MET A 1 8.141 5.923 -7.718 1.00 22.41 C ATOM 6 CG MET A 1 7.000 5.091 -7.154 1.00 55.40 C ATOM 7 SD MET A 1 7.535 3.459 -6.605 1.00 61.04 S ATOM 8 CE MET A 1 6.091 2.477 -7.003 1.00 72.11 C ATOM 0 H1 MET A 1 7.605 4.800 -9.822 1.00 0.00 H new ATOM 0 H2 MET A 1 7.075 6.060 -10.829 1.00 0.00 H new ATOM 0 H3 MET A 1 8.737 5.804 -10.592 1.00 0.00 H new ATOM 0 HA MET A 1 6.765 7.070 -8.903 1.00 52.33 H new ATOM 0 HB2 MET A 1 8.991 5.270 -7.919 1.00 22.41 H new ATOM 0 HB3 MET A 1 8.462 6.642 -6.964 1.00 22.41 H new ATOM 0 HG2 MET A 1 6.548 5.622 -6.316 1.00 55.40 H new ATOM 0 HG3 MET A 1 6.227 4.979 -7.914 1.00 55.40 H new ATOM 0 HE1 MET A 1 6.268 1.439 -6.721 1.00 72.11 H new ATOM 0 HE2 MET A 1 5.229 2.860 -6.456 1.00 72.11 H new ATOM 0 HE3 MET A 1 5.896 2.534 -8.074 1.00 72.11 H new ATOM 18 N THR A 2 8.417 8.980 -8.601 1.00 75.14 N ATOM 19 CA THR A 2 9.251 10.170 -8.724 1.00 45.02 C ATOM 20 C THR A 2 8.965 11.158 -7.599 1.00 51.42 C ATOM 21 O THR A 2 7.880 11.735 -7.527 1.00 15.32 O ATOM 22 CB THR A 2 9.033 10.872 -10.076 1.00 54.43 C ATOM 23 OG1 THR A 2 9.687 12.146 -10.079 1.00 73.40 O ATOM 24 CG2 THR A 2 7.549 11.059 -10.357 1.00 74.24 C ATOM 0 H THR A 2 7.588 9.104 -8.019 1.00 75.14 H new ATOM 0 HA THR A 2 10.287 9.838 -8.659 1.00 45.02 H new ATOM 0 HB THR A 2 9.459 10.243 -10.858 1.00 54.43 H new ATOM 0 HG1 THR A 2 9.544 12.585 -10.944 1.00 73.40 H new ATOM 0 HG21 THR A 2 7.421 11.557 -11.318 1.00 74.24 H new ATOM 0 HG22 THR A 2 7.058 10.086 -10.384 1.00 74.24 H new ATOM 0 HG23 THR A 2 7.104 11.668 -9.570 1.00 74.24 H new ATOM 32 N GLU A 3 9.946 11.351 -6.722 1.00 60.20 N ATOM 33 CA GLU A 3 9.798 12.271 -5.600 1.00 73.11 C ATOM 34 C GLU A 3 11.100 13.023 -5.339 1.00 11.30 C ATOM 35 O GLU A 3 11.491 13.227 -4.190 1.00 31.41 O ATOM 36 CB GLU A 3 9.373 11.511 -4.341 1.00 55.41 C ATOM 37 CG GLU A 3 7.941 11.007 -4.389 1.00 52.12 C ATOM 38 CD GLU A 3 7.680 9.897 -3.391 1.00 71.00 C ATOM 39 OE1 GLU A 3 8.578 9.053 -3.192 1.00 34.33 O ATOM 40 OE2 GLU A 3 6.576 9.871 -2.808 1.00 64.43 O ATOM 0 H GLU A 3 10.851 10.883 -6.767 1.00 60.20 H new ATOM 0 HA GLU A 3 9.025 12.996 -5.856 1.00 73.11 H new ATOM 0 HB2 GLU A 3 10.043 10.664 -4.195 1.00 55.41 H new ATOM 0 HB3 GLU A 3 9.491 12.163 -3.476 1.00 55.41 H new ATOM 0 HG2 GLU A 3 7.261 11.836 -4.191 1.00 52.12 H new ATOM 0 HG3 GLU A 3 7.720 10.647 -5.394 1.00 52.12 H new ATOM 47 N ALA A 4 11.765 13.433 -6.413 1.00 55.33 N ATOM 48 CA ALA A 4 13.021 14.164 -6.301 1.00 74.11 C ATOM 49 C ALA A 4 14.029 13.396 -5.454 1.00 35.33 C ATOM 50 O ALA A 4 13.791 12.250 -5.075 1.00 3.12 O ATOM 51 CB ALA A 4 12.777 15.546 -5.712 1.00 12.34 C ATOM 0 H ALA A 4 11.455 13.271 -7.371 1.00 55.33 H new ATOM 0 HA ALA A 4 13.438 14.277 -7.302 1.00 74.11 H new ATOM 0 HB1 ALA A 4 13.724 16.081 -5.634 1.00 12.34 H new ATOM 0 HB2 ALA A 4 12.098 16.102 -6.358 1.00 12.34 H new ATOM 0 HB3 ALA A 4 12.334 15.446 -4.721 1.00 12.34 H new ATOM 57 N ASP A 5 15.157 14.035 -5.161 1.00 2.11 N ATOM 58 CA ASP A 5 16.202 13.411 -4.357 1.00 52.41 C ATOM 59 C ASP A 5 16.755 14.392 -3.328 1.00 43.11 C ATOM 60 O ASP A 5 17.845 14.938 -3.498 1.00 21.13 O ATOM 61 CB ASP A 5 17.332 12.905 -5.256 1.00 22.24 C ATOM 62 CG ASP A 5 16.857 11.869 -6.255 1.00 3.02 C ATOM 63 OD1 ASP A 5 16.528 10.742 -5.829 1.00 4.11 O ATOM 64 OD2 ASP A 5 16.815 12.184 -7.462 1.00 11.44 O ATOM 0 H ASP A 5 15.371 14.984 -5.468 1.00 2.11 H new ATOM 0 HA ASP A 5 15.763 12.566 -3.827 1.00 52.41 H new ATOM 0 HB2 ASP A 5 17.771 13.747 -5.791 1.00 22.24 H new ATOM 0 HB3 ASP A 5 18.120 12.475 -4.637 1.00 22.24 H new ATOM 69 N VAL A 6 15.995 14.613 -2.260 1.00 31.12 N ATOM 70 CA VAL A 6 16.408 15.528 -1.204 1.00 62.23 C ATOM 71 C VAL A 6 16.415 14.833 0.154 1.00 41.12 C ATOM 72 O VAL A 6 15.965 13.695 0.281 1.00 61.25 O ATOM 73 CB VAL A 6 15.484 16.758 -1.134 1.00 62.51 C ATOM 74 CG1 VAL A 6 15.538 17.542 -2.436 1.00 32.20 C ATOM 75 CG2 VAL A 6 14.058 16.336 -0.814 1.00 35.11 C ATOM 0 H VAL A 6 15.089 14.170 -2.104 1.00 31.12 H new ATOM 0 HA VAL A 6 17.419 15.856 -1.447 1.00 62.23 H new ATOM 0 HB VAL A 6 15.834 17.408 -0.332 1.00 62.51 H new ATOM 0 HG11 VAL A 6 14.879 18.407 -2.367 1.00 32.20 H new ATOM 0 HG12 VAL A 6 16.559 17.877 -2.617 1.00 32.20 H new ATOM 0 HG13 VAL A 6 15.215 16.904 -3.259 1.00 32.20 H new ATOM 0 HG21 VAL A 6 13.419 17.218 -0.768 1.00 35.11 H new ATOM 0 HG22 VAL A 6 13.694 15.664 -1.591 1.00 35.11 H new ATOM 0 HG23 VAL A 6 14.037 15.823 0.148 1.00 35.11 H new ATOM 85 N ASN A 7 16.928 15.527 1.165 1.00 3.42 N ATOM 86 CA ASN A 7 16.993 14.976 2.514 1.00 72.33 C ATOM 87 C ASN A 7 15.631 14.446 2.952 1.00 61.34 C ATOM 88 O ASN A 7 14.588 14.832 2.423 1.00 33.04 O ATOM 89 CB ASN A 7 17.479 16.041 3.499 1.00 71.32 C ATOM 90 CG ASN A 7 16.907 17.413 3.196 1.00 21.21 C ATOM 91 OD1 ASN A 7 15.801 17.533 2.669 1.00 74.51 O ATOM 92 ND2 ASN A 7 17.660 18.454 3.531 1.00 14.41 N ATOM 0 H ASN A 7 17.304 16.471 1.076 1.00 3.42 H new ATOM 0 HA ASN A 7 17.700 14.147 2.507 1.00 72.33 H new ATOM 0 HB2 ASN A 7 17.200 15.750 4.512 1.00 71.32 H new ATOM 0 HB3 ASN A 7 18.568 16.090 3.470 1.00 71.32 H new ATOM 0 HD21 ASN A 7 17.328 19.402 3.353 1.00 14.41 H new ATOM 0 HD22 ASN A 7 18.571 18.306 3.966 1.00 14.41 H new ATOM 99 N PRO A 8 15.639 13.542 3.943 1.00 3.51 N ATOM 100 CA PRO A 8 14.412 12.942 4.475 1.00 24.02 C ATOM 101 C PRO A 8 13.570 13.941 5.261 1.00 63.43 C ATOM 102 O PRO A 8 13.581 13.944 6.493 1.00 35.01 O ATOM 103 CB PRO A 8 14.931 11.836 5.398 1.00 5.10 C ATOM 104 CG PRO A 8 16.293 12.285 5.799 1.00 12.20 C ATOM 105 CD PRO A 8 16.845 13.038 4.620 1.00 14.13 C ATOM 0 HA PRO A 8 13.757 12.583 3.682 1.00 24.02 H new ATOM 0 HB2 PRO A 8 14.284 11.709 6.266 1.00 5.10 H new ATOM 0 HB3 PRO A 8 14.966 10.876 4.884 1.00 5.10 H new ATOM 0 HG2 PRO A 8 16.250 12.921 6.683 1.00 12.20 H new ATOM 0 HG3 PRO A 8 16.926 11.434 6.050 1.00 12.20 H new ATOM 0 HD2 PRO A 8 17.500 13.851 4.933 1.00 14.13 H new ATOM 0 HD3 PRO A 8 17.431 12.390 3.968 1.00 14.13 H new ATOM 113 N LYS A 9 12.842 14.788 4.543 1.00 43.21 N ATOM 114 CA LYS A 9 11.993 15.792 5.173 1.00 40.22 C ATOM 115 C LYS A 9 10.862 15.134 5.957 1.00 30.12 C ATOM 116 O LYS A 9 10.305 15.729 6.879 1.00 61.33 O ATOM 117 CB LYS A 9 11.413 16.735 4.116 1.00 54.01 C ATOM 118 CG LYS A 9 12.433 17.200 3.090 1.00 45.22 C ATOM 119 CD LYS A 9 12.390 18.708 2.905 1.00 64.02 C ATOM 120 CE LYS A 9 11.408 19.108 1.815 1.00 22.50 C ATOM 121 NZ LYS A 9 9.995 18.989 2.271 1.00 14.21 N ATOM 0 H LYS A 9 12.823 14.800 3.523 1.00 43.21 H new ATOM 0 HA LYS A 9 12.606 16.367 5.867 1.00 40.22 H new ATOM 0 HB2 LYS A 9 10.596 16.231 3.601 1.00 54.01 H new ATOM 0 HB3 LYS A 9 10.987 17.606 4.613 1.00 54.01 H new ATOM 0 HG2 LYS A 9 13.432 16.900 3.407 1.00 45.22 H new ATOM 0 HG3 LYS A 9 12.240 16.710 2.136 1.00 45.22 H new ATOM 0 HD2 LYS A 9 12.106 19.183 3.844 1.00 64.02 H new ATOM 0 HD3 LYS A 9 13.385 19.073 2.651 1.00 64.02 H new ATOM 0 HE2 LYS A 9 11.605 20.135 1.507 1.00 22.50 H new ATOM 0 HE3 LYS A 9 11.561 18.478 0.939 1.00 22.50 H new ATOM 0 HZ1 LYS A 9 9.364 19.412 1.560 1.00 14.21 H new ATOM 0 HZ2 LYS A 9 9.754 17.985 2.395 1.00 14.21 H new ATOM 0 HZ3 LYS A 9 9.879 19.487 3.177 1.00 14.21 H new ATOM 135 N ALA A 10 10.529 13.903 5.584 1.00 4.13 N ATOM 136 CA ALA A 10 9.467 13.163 6.256 1.00 10.41 C ATOM 137 C ALA A 10 9.541 11.676 5.927 1.00 30.14 C ATOM 138 O ALA A 10 8.624 11.117 5.325 1.00 34.13 O ATOM 139 CB ALA A 10 8.107 13.724 5.869 1.00 13.52 C ATOM 0 H ALA A 10 10.979 13.397 4.821 1.00 4.13 H new ATOM 0 HA ALA A 10 9.603 13.277 7.331 1.00 10.41 H new ATOM 0 HB1 ALA A 10 7.324 13.162 6.378 1.00 13.52 H new ATOM 0 HB2 ALA A 10 8.050 14.773 6.161 1.00 13.52 H new ATOM 0 HB3 ALA A 10 7.972 13.640 4.791 1.00 13.52 H new ATOM 145 N TYR A 11 10.638 11.041 6.325 1.00 10.23 N ATOM 146 CA TYR A 11 10.833 9.619 6.069 1.00 70.00 C ATOM 147 C TYR A 11 11.880 9.034 7.012 1.00 73.31 C ATOM 148 O TYR A 11 13.086 9.132 6.780 1.00 54.11 O ATOM 149 CB TYR A 11 11.256 9.394 4.616 1.00 30.51 C ATOM 150 CG TYR A 11 10.618 8.179 3.981 1.00 52.32 C ATOM 151 CD1 TYR A 11 10.656 6.940 4.608 1.00 44.34 C ATOM 152 CD2 TYR A 11 9.975 8.271 2.752 1.00 71.00 C ATOM 153 CE1 TYR A 11 10.074 5.829 4.032 1.00 12.44 C ATOM 154 CE2 TYR A 11 9.390 7.165 2.168 1.00 45.50 C ATOM 155 CZ TYR A 11 9.442 5.946 2.811 1.00 32.14 C ATOM 156 OH TYR A 11 8.861 4.841 2.233 1.00 5.54 O ATOM 0 H TYR A 11 11.405 11.489 6.826 1.00 10.23 H new ATOM 0 HA TYR A 11 9.885 9.111 6.247 1.00 70.00 H new ATOM 0 HB2 TYR A 11 10.999 10.277 4.031 1.00 30.51 H new ATOM 0 HB3 TYR A 11 12.340 9.288 4.574 1.00 30.51 H new ATOM 0 HD1 TYR A 11 11.150 6.844 5.564 1.00 44.34 H new ATOM 0 HD2 TYR A 11 9.932 9.224 2.245 1.00 71.00 H new ATOM 0 HE1 TYR A 11 10.113 4.874 4.534 1.00 12.44 H new ATOM 0 HE2 TYR A 11 8.894 7.254 1.213 1.00 45.50 H new ATOM 0 HH TYR A 11 8.458 5.094 1.376 1.00 5.54 H new ATOM 166 N PRO A 12 11.412 8.410 8.102 1.00 40.23 N ATOM 167 CA PRO A 12 9.979 8.289 8.389 1.00 22.41 C ATOM 168 C PRO A 12 9.346 9.626 8.761 1.00 21.44 C ATOM 169 O PRO A 12 10.045 10.620 8.960 1.00 13.33 O ATOM 170 CB PRO A 12 9.937 7.327 9.580 1.00 3.52 C ATOM 171 CG PRO A 12 11.262 7.484 10.241 1.00 44.04 C ATOM 172 CD PRO A 12 12.243 7.778 9.139 1.00 25.42 C ATOM 0 HA PRO A 12 9.417 7.941 7.522 1.00 22.41 H new ATOM 0 HB2 PRO A 12 9.123 7.576 10.261 1.00 3.52 H new ATOM 0 HB3 PRO A 12 9.777 6.299 9.253 1.00 3.52 H new ATOM 0 HG2 PRO A 12 11.241 8.294 10.971 1.00 44.04 H new ATOM 0 HG3 PRO A 12 11.540 6.577 10.779 1.00 44.04 H new ATOM 0 HD2 PRO A 12 13.039 8.442 9.476 1.00 25.42 H new ATOM 0 HD3 PRO A 12 12.720 6.869 8.773 1.00 25.42 H new ATOM 180 N LEU A 13 8.021 9.641 8.855 1.00 64.12 N ATOM 181 CA LEU A 13 7.294 10.857 9.204 1.00 5.01 C ATOM 182 C LEU A 13 6.345 10.606 10.372 1.00 53.44 C ATOM 183 O LEU A 13 5.313 9.954 10.217 1.00 65.32 O ATOM 184 CB LEU A 13 6.509 11.370 7.996 1.00 71.24 C ATOM 185 CG LEU A 13 5.528 12.510 8.269 1.00 15.44 C ATOM 186 CD1 LEU A 13 6.222 13.650 8.997 1.00 23.03 C ATOM 187 CD2 LEU A 13 4.910 13.003 6.968 1.00 43.14 C ATOM 0 H LEU A 13 7.429 8.826 8.695 1.00 64.12 H new ATOM 0 HA LEU A 13 8.020 11.612 9.504 1.00 5.01 H new ATOM 0 HB2 LEU A 13 7.220 11.703 7.240 1.00 71.24 H new ATOM 0 HB3 LEU A 13 5.955 10.535 7.567 1.00 71.24 H new ATOM 0 HG LEU A 13 4.730 12.132 8.908 1.00 15.44 H new ATOM 0 HD11 LEU A 13 5.507 14.452 9.182 1.00 23.03 H new ATOM 0 HD12 LEU A 13 6.616 13.289 9.947 1.00 23.03 H new ATOM 0 HD13 LEU A 13 7.041 14.028 8.385 1.00 23.03 H new ATOM 0 HD21 LEU A 13 4.214 13.815 7.180 1.00 43.14 H new ATOM 0 HD22 LEU A 13 5.697 13.364 6.305 1.00 43.14 H new ATOM 0 HD23 LEU A 13 4.376 12.184 6.486 1.00 43.14 H new ATOM 199 N ALA A 14 6.701 11.131 11.540 1.00 63.12 N ATOM 200 CA ALA A 14 5.879 10.969 12.733 1.00 23.42 C ATOM 201 C ALA A 14 4.465 11.491 12.501 1.00 21.23 C ATOM 202 O ALA A 14 4.268 12.672 12.216 1.00 33.21 O ATOM 203 CB ALA A 14 6.519 11.681 13.916 1.00 21.03 C ATOM 0 H ALA A 14 7.553 11.672 11.685 1.00 63.12 H new ATOM 0 HA ALA A 14 5.813 9.904 12.956 1.00 23.42 H new ATOM 0 HB1 ALA A 14 5.894 11.552 14.800 1.00 21.03 H new ATOM 0 HB2 ALA A 14 7.506 11.259 14.104 1.00 21.03 H new ATOM 0 HB3 ALA A 14 6.616 12.743 13.692 1.00 21.03 H new ATOM 209 N ASP A 15 3.485 10.603 12.624 1.00 11.24 N ATOM 210 CA ASP A 15 2.087 10.974 12.427 1.00 74.43 C ATOM 211 C ASP A 15 1.595 11.858 13.568 1.00 74.30 C ATOM 212 O ASP A 15 2.269 12.007 14.586 1.00 64.32 O ATOM 213 CB ASP A 15 1.215 9.722 12.321 1.00 72.33 C ATOM 214 CG ASP A 15 1.527 8.706 13.403 1.00 50.42 C ATOM 215 OD1 ASP A 15 2.496 7.937 13.234 1.00 3.41 O ATOM 216 OD2 ASP A 15 0.802 8.683 14.419 1.00 23.03 O ATOM 0 H ASP A 15 3.632 9.621 12.859 1.00 11.24 H new ATOM 0 HA ASP A 15 2.013 11.537 11.497 1.00 74.43 H new ATOM 0 HB2 ASP A 15 0.165 10.007 12.386 1.00 72.33 H new ATOM 0 HB3 ASP A 15 1.360 9.263 11.343 1.00 72.33 H new ATOM 221 N ALA A 16 0.416 12.444 13.389 1.00 13.41 N ATOM 222 CA ALA A 16 -0.167 13.313 14.404 1.00 4.22 C ATOM 223 C ALA A 16 -0.446 12.543 15.691 1.00 1.40 C ATOM 224 O ALA A 16 -0.312 13.083 16.790 1.00 13.31 O ATOM 225 CB ALA A 16 -1.446 13.951 13.881 1.00 11.23 C ATOM 0 H ALA A 16 -0.154 12.333 12.551 1.00 13.41 H new ATOM 0 HA ALA A 16 0.553 14.100 14.630 1.00 4.22 H new ATOM 0 HB1 ALA A 16 -1.871 14.597 14.649 1.00 11.23 H new ATOM 0 HB2 ALA A 16 -1.221 14.542 12.993 1.00 11.23 H new ATOM 0 HB3 ALA A 16 -2.163 13.171 13.626 1.00 11.23 H new ATOM 231 N HIS A 17 -0.834 11.280 15.548 1.00 50.10 N ATOM 232 CA HIS A 17 -1.132 10.437 16.700 1.00 73.22 C ATOM 233 C HIS A 17 0.029 10.441 17.690 1.00 34.45 C ATOM 234 O HIS A 17 -0.173 10.343 18.901 1.00 0.33 O ATOM 235 CB HIS A 17 -1.428 9.007 16.248 1.00 30.42 C ATOM 236 CG HIS A 17 -2.700 8.452 16.812 1.00 32.40 C ATOM 237 ND1 HIS A 17 -2.819 8.017 18.114 1.00 23.12 N ATOM 238 CD2 HIS A 17 -3.913 8.264 16.242 1.00 53.50 C ATOM 239 CE1 HIS A 17 -4.050 7.583 18.321 1.00 53.43 C ATOM 240 NE2 HIS A 17 -4.735 7.723 17.200 1.00 73.14 N ATOM 0 H HIS A 17 -0.949 10.818 14.646 1.00 50.10 H new ATOM 0 HA HIS A 17 -2.013 10.842 17.199 1.00 73.22 H new ATOM 0 HB2 HIS A 17 -1.482 8.982 15.160 1.00 30.42 H new ATOM 0 HB3 HIS A 17 -0.599 8.363 16.541 1.00 30.42 H new ATOM 0 HD2 HIS A 17 -4.184 8.496 15.223 1.00 53.50 H new ATOM 0 HE1 HIS A 17 -4.431 7.182 19.249 1.00 53.43 H new ATOM 0 HE2 HIS A 17 -5.714 7.471 17.068 1.00 73.14 H new ATOM 248 N LEU A 18 1.246 10.552 17.167 1.00 5.54 N ATOM 249 CA LEU A 18 2.440 10.567 18.005 1.00 3.22 C ATOM 250 C LEU A 18 2.762 11.984 18.469 1.00 54.21 C ATOM 251 O LEU A 18 2.994 12.224 19.653 1.00 23.12 O ATOM 252 CB LEU A 18 3.630 9.985 17.241 1.00 34.42 C ATOM 253 CG LEU A 18 4.418 8.889 17.959 1.00 31.21 C ATOM 254 CD1 LEU A 18 5.603 8.443 17.116 1.00 11.45 C ATOM 255 CD2 LEU A 18 4.885 9.374 19.323 1.00 22.35 C ATOM 0 H LEU A 18 1.431 10.633 16.167 1.00 5.54 H new ATOM 0 HA LEU A 18 2.245 9.953 18.884 1.00 3.22 H new ATOM 0 HB2 LEU A 18 3.267 9.583 16.295 1.00 34.42 H new ATOM 0 HB3 LEU A 18 4.315 10.798 17.000 1.00 34.42 H new ATOM 0 HG LEU A 18 3.760 8.033 18.106 1.00 31.21 H new ATOM 0 HD11 LEU A 18 6.152 7.663 17.644 1.00 11.45 H new ATOM 0 HD12 LEU A 18 5.245 8.054 16.163 1.00 11.45 H new ATOM 0 HD13 LEU A 18 6.262 9.292 16.937 1.00 11.45 H new ATOM 0 HD21 LEU A 18 5.444 8.581 19.819 1.00 22.35 H new ATOM 0 HD22 LEU A 18 5.526 10.247 19.199 1.00 22.35 H new ATOM 0 HD23 LEU A 18 4.020 9.642 19.929 1.00 22.35 H new ATOM 267 N THR A 19 2.772 12.921 17.525 1.00 42.33 N ATOM 268 CA THR A 19 3.064 14.315 17.837 1.00 54.22 C ATOM 269 C THR A 19 2.133 14.842 18.923 1.00 72.24 C ATOM 270 O THR A 19 2.541 15.632 19.776 1.00 32.34 O ATOM 271 CB THR A 19 2.936 15.208 16.588 1.00 45.32 C ATOM 272 OG1 THR A 19 3.748 14.690 15.530 1.00 31.53 O ATOM 273 CG2 THR A 19 3.351 16.637 16.901 1.00 53.11 C ATOM 0 H THR A 19 2.581 12.740 16.539 1.00 42.33 H new ATOM 0 HA THR A 19 4.093 14.350 18.196 1.00 54.22 H new ATOM 0 HB THR A 19 1.892 15.210 16.275 1.00 45.32 H new ATOM 0 HG1 THR A 19 3.290 13.934 15.106 1.00 31.53 H new ATOM 0 HG21 THR A 19 3.252 17.249 16.005 1.00 53.11 H new ATOM 0 HG22 THR A 19 2.711 17.038 17.686 1.00 53.11 H new ATOM 0 HG23 THR A 19 4.388 16.649 17.237 1.00 53.11 H new ATOM 281 N LYS A 20 0.880 14.402 18.887 1.00 21.44 N ATOM 282 CA LYS A 20 -0.110 14.827 19.870 1.00 71.32 C ATOM 283 C LYS A 20 0.387 14.568 21.289 1.00 55.13 C ATOM 284 O LYS A 20 0.425 15.477 22.120 1.00 33.23 O ATOM 285 CB LYS A 20 -1.433 14.096 19.640 1.00 3.42 C ATOM 286 CG LYS A 20 -2.565 14.595 20.522 1.00 20.12 C ATOM 287 CD LYS A 20 -3.878 13.908 20.186 1.00 42.53 C ATOM 288 CE LYS A 20 -5.071 14.731 20.648 1.00 53.32 C ATOM 289 NZ LYS A 20 -6.354 14.201 20.108 1.00 32.23 N ATOM 0 H LYS A 20 0.525 13.750 18.187 1.00 21.44 H new ATOM 0 HA LYS A 20 -0.269 15.899 19.749 1.00 71.32 H new ATOM 0 HB2 LYS A 20 -1.722 14.206 18.595 1.00 3.42 H new ATOM 0 HB3 LYS A 20 -1.286 13.031 19.820 1.00 3.42 H new ATOM 0 HG2 LYS A 20 -2.318 14.417 21.569 1.00 20.12 H new ATOM 0 HG3 LYS A 20 -2.675 15.672 20.399 1.00 20.12 H new ATOM 0 HD2 LYS A 20 -3.941 13.747 19.110 1.00 42.53 H new ATOM 0 HD3 LYS A 20 -3.907 12.926 20.658 1.00 42.53 H new ATOM 0 HE2 LYS A 20 -5.110 14.735 21.737 1.00 53.32 H new ATOM 0 HE3 LYS A 20 -4.943 15.766 20.330 1.00 53.32 H new ATOM 0 HZ1 LYS A 20 -7.142 14.789 20.446 1.00 32.23 H new ATOM 0 HZ2 LYS A 20 -6.328 14.221 19.069 1.00 32.23 H new ATOM 0 HZ3 LYS A 20 -6.489 13.222 20.432 1.00 32.23 H new ATOM 303 N LYS A 21 0.767 13.325 21.560 1.00 31.52 N ATOM 304 CA LYS A 21 1.264 12.946 22.878 1.00 41.20 C ATOM 305 C LYS A 21 2.672 13.488 23.104 1.00 21.30 C ATOM 306 O LYS A 21 3.049 13.817 24.230 1.00 2.33 O ATOM 307 CB LYS A 21 1.261 11.423 23.029 1.00 53.53 C ATOM 308 CG LYS A 21 2.045 10.703 21.945 1.00 60.04 C ATOM 309 CD LYS A 21 2.130 9.211 22.217 1.00 45.24 C ATOM 310 CE LYS A 21 3.143 8.900 23.308 1.00 22.10 C ATOM 311 NZ LYS A 21 3.122 7.461 23.691 1.00 50.32 N ATOM 0 H LYS A 21 0.741 12.561 20.884 1.00 31.52 H new ATOM 0 HA LYS A 21 0.602 13.380 23.627 1.00 41.20 H new ATOM 0 HB2 LYS A 21 1.678 11.162 24.002 1.00 53.53 H new ATOM 0 HB3 LYS A 21 0.231 11.067 23.018 1.00 53.53 H new ATOM 0 HG2 LYS A 21 1.570 10.871 20.978 1.00 60.04 H new ATOM 0 HG3 LYS A 21 3.050 11.120 21.883 1.00 60.04 H new ATOM 0 HD2 LYS A 21 1.149 8.838 22.512 1.00 45.24 H new ATOM 0 HD3 LYS A 21 2.408 8.688 21.302 1.00 45.24 H new ATOM 0 HE2 LYS A 21 4.142 9.170 22.964 1.00 22.10 H new ATOM 0 HE3 LYS A 21 2.932 9.512 24.185 1.00 22.10 H new ATOM 0 HZ1 LYS A 21 3.826 7.290 24.437 1.00 50.32 H new ATOM 0 HZ2 LYS A 21 2.176 7.209 24.043 1.00 50.32 H new ATOM 0 HZ3 LYS A 21 3.349 6.877 22.861 1.00 50.32 H new ATOM 325 N LEU A 22 3.446 13.578 22.029 1.00 34.24 N ATOM 326 CA LEU A 22 4.813 14.081 22.109 1.00 41.12 C ATOM 327 C LEU A 22 4.844 15.476 22.724 1.00 54.14 C ATOM 328 O LEU A 22 5.734 15.800 23.512 1.00 14.02 O ATOM 329 CB LEU A 22 5.450 14.109 20.719 1.00 72.04 C ATOM 330 CG LEU A 22 6.810 14.803 20.618 1.00 12.51 C ATOM 331 CD1 LEU A 22 7.855 13.850 20.062 1.00 35.45 C ATOM 332 CD2 LEU A 22 6.708 16.050 19.751 1.00 41.31 C ATOM 0 H LEU A 22 3.150 13.309 21.091 1.00 34.24 H new ATOM 0 HA LEU A 22 5.384 13.409 22.749 1.00 41.12 H new ATOM 0 HB2 LEU A 22 5.562 13.082 20.372 1.00 72.04 H new ATOM 0 HB3 LEU A 22 4.760 14.604 20.035 1.00 72.04 H new ATOM 0 HG LEU A 22 7.119 15.104 21.619 1.00 12.51 H new ATOM 0 HD11 LEU A 22 8.816 14.361 19.997 1.00 35.45 H new ATOM 0 HD12 LEU A 22 7.947 12.986 20.721 1.00 35.45 H new ATOM 0 HD13 LEU A 22 7.553 13.518 19.069 1.00 35.45 H new ATOM 0 HD21 LEU A 22 7.684 16.531 19.690 1.00 41.31 H new ATOM 0 HD22 LEU A 22 6.377 15.771 18.750 1.00 41.31 H new ATOM 0 HD23 LEU A 22 5.989 16.741 20.191 1.00 41.31 H new ATOM 344 N LEU A 23 3.866 16.299 22.361 1.00 34.31 N ATOM 345 CA LEU A 23 3.780 17.660 22.878 1.00 30.21 C ATOM 346 C LEU A 23 3.788 17.665 24.404 1.00 32.12 C ATOM 347 O LEU A 23 4.363 18.555 25.029 1.00 41.15 O ATOM 348 CB LEU A 23 2.513 18.343 22.362 1.00 74.04 C ATOM 349 CG LEU A 23 2.727 19.541 21.436 1.00 51.44 C ATOM 350 CD1 LEU A 23 3.040 19.076 20.023 1.00 33.24 C ATOM 351 CD2 LEU A 23 1.502 20.445 21.442 1.00 72.02 C ATOM 0 H LEU A 23 3.122 16.047 21.711 1.00 34.31 H new ATOM 0 HA LEU A 23 4.652 18.211 22.527 1.00 30.21 H new ATOM 0 HB2 LEU A 23 1.915 17.602 21.832 1.00 74.04 H new ATOM 0 HB3 LEU A 23 1.926 18.672 23.220 1.00 74.04 H new ATOM 0 HG LEU A 23 3.579 20.112 21.805 1.00 51.44 H new ATOM 0 HD11 LEU A 23 3.189 19.943 19.379 1.00 33.24 H new ATOM 0 HD12 LEU A 23 3.946 18.470 20.032 1.00 33.24 H new ATOM 0 HD13 LEU A 23 2.209 18.481 19.643 1.00 33.24 H new ATOM 0 HD21 LEU A 23 1.672 21.292 20.778 1.00 72.02 H new ATOM 0 HD22 LEU A 23 0.633 19.883 21.099 1.00 72.02 H new ATOM 0 HD23 LEU A 23 1.322 20.808 22.454 1.00 72.02 H new ATOM 363 N ASP A 24 3.148 16.662 24.996 1.00 70.11 N ATOM 364 CA ASP A 24 3.084 16.548 26.448 1.00 30.12 C ATOM 365 C ASP A 24 4.449 16.187 27.026 1.00 12.01 C ATOM 366 O ASP A 24 4.758 16.518 28.171 1.00 44.45 O ATOM 367 CB ASP A 24 2.051 15.496 26.854 1.00 33.25 C ATOM 368 CG ASP A 24 1.468 15.755 28.229 1.00 42.34 C ATOM 369 OD1 ASP A 24 2.112 16.478 29.019 1.00 0.24 O ATOM 370 OD2 ASP A 24 0.369 15.238 28.515 1.00 0.55 O ATOM 0 H ASP A 24 2.667 15.917 24.493 1.00 70.11 H new ATOM 0 HA ASP A 24 2.783 17.516 26.850 1.00 30.12 H new ATOM 0 HB2 ASP A 24 1.246 15.479 26.119 1.00 33.25 H new ATOM 0 HB3 ASP A 24 2.516 14.510 26.840 1.00 33.25 H new ATOM 375 N LEU A 25 5.262 15.505 26.227 1.00 52.15 N ATOM 376 CA LEU A 25 6.596 15.098 26.658 1.00 43.31 C ATOM 377 C LEU A 25 7.439 16.311 27.037 1.00 33.24 C ATOM 378 O LEU A 25 8.141 16.301 28.048 1.00 62.44 O ATOM 379 CB LEU A 25 7.291 14.303 25.552 1.00 50.13 C ATOM 380 CG LEU A 25 7.980 13.010 25.987 1.00 21.44 C ATOM 381 CD1 LEU A 25 8.989 13.288 27.091 1.00 34.13 C ATOM 382 CD2 LEU A 25 6.953 11.986 26.447 1.00 43.32 C ATOM 0 H LEU A 25 5.021 15.222 25.277 1.00 52.15 H new ATOM 0 HA LEU A 25 6.489 14.464 27.538 1.00 43.31 H new ATOM 0 HB2 LEU A 25 6.552 14.058 24.789 1.00 50.13 H new ATOM 0 HB3 LEU A 25 8.034 14.947 25.082 1.00 50.13 H new ATOM 0 HG LEU A 25 8.513 12.600 25.130 1.00 21.44 H new ATOM 0 HD11 LEU A 25 9.470 12.356 27.388 1.00 34.13 H new ATOM 0 HD12 LEU A 25 9.744 13.985 26.727 1.00 34.13 H new ATOM 0 HD13 LEU A 25 8.478 13.722 27.950 1.00 34.13 H new ATOM 0 HD21 LEU A 25 7.462 11.072 26.753 1.00 43.32 H new ATOM 0 HD22 LEU A 25 6.391 12.388 27.290 1.00 43.32 H new ATOM 0 HD23 LEU A 25 6.269 11.764 25.628 1.00 43.32 H new ATOM 394 N VAL A 26 7.365 17.355 26.218 1.00 73.34 N ATOM 395 CA VAL A 26 8.120 18.577 26.468 1.00 55.14 C ATOM 396 C VAL A 26 7.867 19.102 27.877 1.00 1.03 C ATOM 397 O VAL A 26 8.805 19.411 28.612 1.00 1.10 O ATOM 398 CB VAL A 26 7.761 19.678 25.452 1.00 11.34 C ATOM 399 CG1 VAL A 26 8.548 20.947 25.736 1.00 60.13 C ATOM 400 CG2 VAL A 26 8.010 19.192 24.032 1.00 13.30 C ATOM 0 H VAL A 26 6.790 17.379 25.376 1.00 73.34 H new ATOM 0 HA VAL A 26 9.175 18.323 26.361 1.00 55.14 H new ATOM 0 HB VAL A 26 6.701 19.909 25.553 1.00 11.34 H new ATOM 0 HG11 VAL A 26 8.280 21.712 25.007 1.00 60.13 H new ATOM 0 HG12 VAL A 26 8.314 21.303 26.739 1.00 60.13 H new ATOM 0 HG13 VAL A 26 9.615 20.737 25.665 1.00 60.13 H new ATOM 0 HG21 VAL A 26 7.751 19.982 23.327 1.00 13.30 H new ATOM 0 HG22 VAL A 26 9.062 18.932 23.916 1.00 13.30 H new ATOM 0 HG23 VAL A 26 7.395 18.314 23.835 1.00 13.30 H new ATOM 410 N GLN A 27 6.594 19.198 28.247 1.00 33.43 N ATOM 411 CA GLN A 27 6.218 19.684 29.569 1.00 52.01 C ATOM 412 C GLN A 27 6.907 18.876 30.663 1.00 32.44 C ATOM 413 O GLN A 27 7.195 19.393 31.742 1.00 75.11 O ATOM 414 CB GLN A 27 4.701 19.617 29.747 1.00 5.24 C ATOM 415 CG GLN A 27 4.207 20.281 31.023 1.00 65.42 C ATOM 416 CD GLN A 27 2.713 20.124 31.224 1.00 52.20 C ATOM 417 OE1 GLN A 27 1.936 20.198 30.271 1.00 54.21 O ATOM 418 NE2 GLN A 27 2.302 19.906 32.467 1.00 24.22 N ATOM 0 H GLN A 27 5.806 18.946 27.650 1.00 33.43 H new ATOM 0 HA GLN A 27 6.541 20.722 29.652 1.00 52.01 H new ATOM 0 HB2 GLN A 27 4.222 20.093 28.891 1.00 5.24 H new ATOM 0 HB3 GLN A 27 4.389 18.572 29.747 1.00 5.24 H new ATOM 0 HG2 GLN A 27 4.731 19.852 31.877 1.00 65.42 H new ATOM 0 HG3 GLN A 27 4.456 21.342 30.996 1.00 65.42 H new ATOM 0 HE21 GLN A 27 2.981 19.852 33.227 1.00 24.22 H new ATOM 0 HE22 GLN A 27 1.307 19.792 32.663 1.00 24.22 H new ATOM 427 N GLN A 28 7.167 17.604 30.378 1.00 21.25 N ATOM 428 CA GLN A 28 7.821 16.724 31.339 1.00 11.32 C ATOM 429 C GLN A 28 9.309 17.039 31.439 1.00 62.44 C ATOM 430 O GLN A 28 9.917 16.880 32.499 1.00 34.00 O ATOM 431 CB GLN A 28 7.623 15.260 30.939 1.00 52.02 C ATOM 432 CG GLN A 28 6.164 14.865 30.778 1.00 14.42 C ATOM 433 CD GLN A 28 5.401 14.903 32.086 1.00 64.23 C ATOM 434 OE1 GLN A 28 5.910 14.485 33.127 1.00 2.44 O ATOM 435 NE2 GLN A 28 4.173 15.406 32.041 1.00 25.34 N ATOM 0 H GLN A 28 6.935 17.160 29.490 1.00 21.25 H new ATOM 0 HA GLN A 28 7.366 16.891 32.315 1.00 11.32 H new ATOM 0 HB2 GLN A 28 8.147 15.074 30.001 1.00 52.02 H new ATOM 0 HB3 GLN A 28 8.083 14.621 31.693 1.00 52.02 H new ATOM 0 HG2 GLN A 28 5.687 15.536 30.064 1.00 14.42 H new ATOM 0 HG3 GLN A 28 6.108 13.861 30.358 1.00 14.42 H new ATOM 0 HE21 GLN A 28 3.791 15.741 31.156 1.00 25.34 H new ATOM 0 HE22 GLN A 28 3.612 15.458 32.891 1.00 25.34 H new ATOM 444 N SER A 29 9.891 17.486 30.332 1.00 74.24 N ATOM 445 CA SER A 29 11.310 17.820 30.295 1.00 34.21 C ATOM 446 C SER A 29 11.597 19.068 31.124 1.00 2.34 C ATOM 447 O SER A 29 12.478 19.066 31.983 1.00 60.45 O ATOM 448 CB SER A 29 11.767 18.037 28.850 1.00 64.01 C ATOM 449 OG SER A 29 12.965 17.327 28.583 1.00 53.25 O ATOM 0 H SER A 29 9.402 17.626 29.448 1.00 74.24 H new ATOM 0 HA SER A 29 11.865 16.986 30.723 1.00 34.21 H new ATOM 0 HB2 SER A 29 10.985 17.709 28.165 1.00 64.01 H new ATOM 0 HB3 SER A 29 11.923 19.101 28.670 1.00 64.01 H new ATOM 0 HG SER A 29 13.555 17.878 28.027 1.00 53.25 H new ATOM 455 N CYS A 30 10.846 20.132 30.858 1.00 32.32 N ATOM 456 CA CYS A 30 11.018 21.388 31.578 1.00 22.33 C ATOM 457 C CYS A 30 10.681 21.218 33.056 1.00 41.44 C ATOM 458 O CYS A 30 11.198 21.940 33.907 1.00 45.43 O ATOM 459 CB CYS A 30 10.139 22.477 30.963 1.00 72.25 C ATOM 460 SG CYS A 30 8.366 22.210 31.190 1.00 24.13 S ATOM 0 H CYS A 30 10.113 20.149 30.149 1.00 32.32 H new ATOM 0 HA CYS A 30 12.063 21.686 31.495 1.00 22.33 H new ATOM 0 HB2 CYS A 30 10.410 23.438 31.401 1.00 72.25 H new ATOM 0 HB3 CYS A 30 10.352 22.541 29.896 1.00 72.25 H new ATOM 0 HG CYS A 30 8.145 20.955 31.446 1.00 24.13 H new ATOM 466 N ASN A 31 9.808 20.260 33.352 1.00 43.25 N ATOM 467 CA ASN A 31 9.399 19.998 34.727 1.00 32.34 C ATOM 468 C ASN A 31 10.610 19.714 35.611 1.00 55.15 C ATOM 469 O ASN A 31 10.634 20.083 36.786 1.00 33.31 O ATOM 470 CB ASN A 31 8.430 18.814 34.776 1.00 51.33 C ATOM 471 CG ASN A 31 7.436 18.928 35.915 1.00 12.43 C ATOM 472 OD1 ASN A 31 7.721 18.534 37.045 1.00 31.41 O ATOM 473 ND2 ASN A 31 6.258 19.469 35.620 1.00 74.13 N ATOM 0 H ASN A 31 9.371 19.653 32.659 1.00 43.25 H new ATOM 0 HA ASN A 31 8.896 20.888 35.105 1.00 32.34 H new ATOM 0 HB2 ASN A 31 7.890 18.750 33.831 1.00 51.33 H new ATOM 0 HB3 ASN A 31 8.996 17.889 34.883 1.00 51.33 H new ATOM 0 HD21 ASN A 31 5.548 19.571 36.345 1.00 74.13 H new ATOM 0 HD22 ASN A 31 6.065 19.782 34.669 1.00 74.13 H new ATOM 480 N TYR A 32 11.613 19.060 35.037 1.00 23.21 N ATOM 481 CA TYR A 32 12.827 18.725 35.773 1.00 34.41 C ATOM 482 C TYR A 32 13.915 19.766 35.529 1.00 44.34 C ATOM 483 O TYR A 32 15.106 19.473 35.634 1.00 55.04 O ATOM 484 CB TYR A 32 13.331 17.340 35.363 1.00 62.43 C ATOM 485 CG TYR A 32 13.542 16.403 36.531 1.00 13.31 C ATOM 486 CD1 TYR A 32 14.725 16.427 37.260 1.00 23.33 C ATOM 487 CD2 TYR A 32 12.560 15.495 36.905 1.00 72.00 C ATOM 488 CE1 TYR A 32 14.923 15.571 38.327 1.00 40.34 C ATOM 489 CE2 TYR A 32 12.749 14.637 37.971 1.00 44.25 C ATOM 490 CZ TYR A 32 13.931 14.679 38.679 1.00 61.13 C ATOM 491 OH TYR A 32 14.123 13.826 39.741 1.00 63.45 O ATOM 0 H TYR A 32 11.610 18.751 34.065 1.00 23.21 H new ATOM 0 HA TYR A 32 12.587 18.717 36.836 1.00 34.41 H new ATOM 0 HB2 TYR A 32 12.616 16.892 34.673 1.00 62.43 H new ATOM 0 HB3 TYR A 32 14.271 17.450 34.822 1.00 62.43 H new ATOM 0 HD1 TYR A 32 15.502 17.126 36.988 1.00 23.33 H new ATOM 0 HD2 TYR A 32 11.633 15.459 36.353 1.00 72.00 H new ATOM 0 HE1 TYR A 32 15.849 15.600 38.882 1.00 40.34 H new ATOM 0 HE2 TYR A 32 11.975 13.937 38.248 1.00 44.25 H new ATOM 0 HH TYR A 32 13.329 13.264 39.857 1.00 63.45 H new ATOM 501 N LYS A 33 13.496 20.986 35.207 1.00 15.03 N ATOM 502 CA LYS A 33 14.432 22.074 34.950 1.00 75.33 C ATOM 503 C LYS A 33 15.404 21.704 33.833 1.00 43.22 C ATOM 504 O LYS A 33 16.565 22.114 33.849 1.00 13.45 O ATOM 505 CB LYS A 33 15.209 22.416 36.223 1.00 70.13 C ATOM 506 CG LYS A 33 14.323 22.617 37.441 1.00 24.22 C ATOM 507 CD LYS A 33 14.880 23.686 38.366 1.00 32.44 C ATOM 508 CE LYS A 33 14.373 23.511 39.789 1.00 2.15 C ATOM 509 NZ LYS A 33 15.354 24.009 40.793 1.00 11.15 N ATOM 0 H LYS A 33 12.514 21.246 35.118 1.00 15.03 H new ATOM 0 HA LYS A 33 13.859 22.946 34.635 1.00 75.33 H new ATOM 0 HB2 LYS A 33 15.921 21.617 36.430 1.00 70.13 H new ATOM 0 HB3 LYS A 33 15.789 23.323 36.052 1.00 70.13 H new ATOM 0 HG2 LYS A 33 13.320 22.899 37.120 1.00 24.22 H new ATOM 0 HG3 LYS A 33 14.231 21.677 37.984 1.00 24.22 H new ATOM 0 HD2 LYS A 33 15.969 23.643 38.359 1.00 32.44 H new ATOM 0 HD3 LYS A 33 14.597 24.672 37.997 1.00 32.44 H new ATOM 0 HE2 LYS A 33 13.430 24.045 39.907 1.00 2.15 H new ATOM 0 HE3 LYS A 33 14.167 22.457 39.974 1.00 2.15 H new ATOM 0 HZ1 LYS A 33 14.971 23.872 41.750 1.00 11.15 H new ATOM 0 HZ2 LYS A 33 16.246 23.482 40.698 1.00 11.15 H new ATOM 0 HZ3 LYS A 33 15.531 25.021 40.633 1.00 11.15 H new ATOM 523 N GLN A 34 14.921 20.930 32.867 1.00 23.22 N ATOM 524 CA GLN A 34 15.748 20.507 31.743 1.00 24.02 C ATOM 525 C GLN A 34 15.042 20.774 30.418 1.00 74.52 C ATOM 526 O GLN A 34 13.856 20.479 30.263 1.00 53.04 O ATOM 527 CB GLN A 34 16.087 19.020 31.863 1.00 63.22 C ATOM 528 CG GLN A 34 17.261 18.736 32.786 1.00 3.10 C ATOM 529 CD GLN A 34 17.044 17.505 33.645 1.00 75.20 C ATOM 530 OE1 GLN A 34 17.164 17.559 34.869 1.00 71.24 O ATOM 531 NE2 GLN A 34 16.723 16.387 33.005 1.00 2.43 N ATOM 0 H GLN A 34 13.962 20.583 32.840 1.00 23.22 H new ATOM 0 HA GLN A 34 16.671 21.086 31.765 1.00 24.02 H new ATOM 0 HB2 GLN A 34 15.211 18.484 32.228 1.00 63.22 H new ATOM 0 HB3 GLN A 34 16.311 18.626 30.872 1.00 63.22 H new ATOM 0 HG2 GLN A 34 18.164 18.603 32.189 1.00 3.10 H new ATOM 0 HG3 GLN A 34 17.429 19.599 33.430 1.00 3.10 H new ATOM 0 HE21 GLN A 34 16.634 16.389 31.989 1.00 2.43 H new ATOM 0 HE22 GLN A 34 16.565 15.527 33.529 1.00 2.43 H new ATOM 540 N LEU A 35 15.778 21.335 29.464 1.00 22.53 N ATOM 541 CA LEU A 35 15.223 21.642 28.151 1.00 53.51 C ATOM 542 C LEU A 35 16.327 22.022 27.169 1.00 1.51 C ATOM 543 O LEU A 35 17.475 22.229 27.560 1.00 70.15 O ATOM 544 CB LEU A 35 14.206 22.781 28.259 1.00 32.42 C ATOM 545 CG LEU A 35 12.756 22.419 27.938 1.00 14.33 C ATOM 546 CD1 LEU A 35 11.862 23.643 28.057 1.00 25.14 C ATOM 547 CD2 LEU A 35 12.654 21.815 26.544 1.00 54.04 C ATOM 0 H LEU A 35 16.760 21.586 29.576 1.00 22.53 H new ATOM 0 HA LEU A 35 14.721 20.749 27.778 1.00 53.51 H new ATOM 0 HB2 LEU A 35 14.244 23.180 29.273 1.00 32.42 H new ATOM 0 HB3 LEU A 35 14.516 23.583 27.589 1.00 32.42 H new ATOM 0 HG LEU A 35 12.418 21.676 28.660 1.00 14.33 H new ATOM 0 HD11 LEU A 35 10.834 23.366 27.825 1.00 25.14 H new ATOM 0 HD12 LEU A 35 11.912 24.033 29.074 1.00 25.14 H new ATOM 0 HD13 LEU A 35 12.198 24.409 27.358 1.00 25.14 H new ATOM 0 HD21 LEU A 35 11.615 21.563 26.332 1.00 54.04 H new ATOM 0 HD22 LEU A 35 13.010 22.536 25.808 1.00 54.04 H new ATOM 0 HD23 LEU A 35 13.264 20.913 26.493 1.00 54.04 H new ATOM 559 N ARG A 36 15.969 22.115 25.891 1.00 24.21 N ATOM 560 CA ARG A 36 16.928 22.470 24.854 1.00 41.20 C ATOM 561 C ARG A 36 16.221 22.740 23.529 1.00 22.02 C ATOM 562 O ARG A 36 15.580 21.854 22.963 1.00 2.34 O ATOM 563 CB ARG A 36 17.958 21.353 24.676 1.00 71.31 C ATOM 564 CG ARG A 36 19.388 21.855 24.565 1.00 11.14 C ATOM 565 CD ARG A 36 19.903 22.372 25.898 1.00 63.50 C ATOM 566 NE ARG A 36 21.341 22.631 25.867 1.00 2.22 N ATOM 567 CZ ARG A 36 22.083 22.784 26.957 1.00 63.55 C ATOM 568 NH1 ARG A 36 21.528 22.703 28.159 1.00 60.01 N ATOM 569 NH2 ARG A 36 23.385 23.017 26.848 1.00 14.51 N ATOM 0 H ARG A 36 15.022 21.949 25.551 1.00 24.21 H new ATOM 0 HA ARG A 36 17.440 23.380 25.165 1.00 41.20 H new ATOM 0 HB2 ARG A 36 17.887 20.667 25.520 1.00 71.31 H new ATOM 0 HB3 ARG A 36 17.712 20.783 23.780 1.00 71.31 H new ATOM 0 HG2 ARG A 36 20.031 21.048 24.214 1.00 11.14 H new ATOM 0 HG3 ARG A 36 19.439 22.650 23.821 1.00 11.14 H new ATOM 0 HD2 ARG A 36 19.375 23.289 26.159 1.00 63.50 H new ATOM 0 HD3 ARG A 36 19.683 21.644 26.679 1.00 63.50 H new ATOM 0 HE ARG A 36 21.799 22.698 24.958 1.00 2.22 H new ATOM 0 HH11 ARG A 36 20.528 22.523 28.248 1.00 60.01 H new ATOM 0 HH12 ARG A 36 22.101 22.821 28.994 1.00 60.01 H new ATOM 0 HH21 ARG A 36 23.817 23.079 25.926 1.00 14.51 H new ATOM 0 HH22 ARG A 36 23.954 23.134 27.686 1.00 14.51 H new ATOM 583 N LYS A 37 16.341 23.970 23.039 1.00 34.53 N ATOM 584 CA LYS A 37 15.715 24.357 21.781 1.00 12.34 C ATOM 585 C LYS A 37 16.710 25.077 20.877 1.00 71.21 C ATOM 586 O LYS A 37 16.737 26.306 20.822 1.00 70.11 O ATOM 587 CB LYS A 37 14.506 25.256 22.045 1.00 51.54 C ATOM 588 CG LYS A 37 13.603 24.751 23.157 1.00 44.25 C ATOM 589 CD LYS A 37 14.025 25.300 24.511 1.00 33.43 C ATOM 590 CE LYS A 37 12.846 25.901 25.260 1.00 24.22 C ATOM 591 NZ LYS A 37 12.525 27.273 24.781 1.00 2.41 N ATOM 0 H LYS A 37 16.867 24.716 23.495 1.00 34.53 H new ATOM 0 HA LYS A 37 15.382 23.450 21.275 1.00 12.34 H new ATOM 0 HB2 LYS A 37 14.856 26.256 22.299 1.00 51.54 H new ATOM 0 HB3 LYS A 37 13.924 25.346 21.128 1.00 51.54 H new ATOM 0 HG2 LYS A 37 12.573 25.041 22.951 1.00 44.25 H new ATOM 0 HG3 LYS A 37 13.628 23.662 23.181 1.00 44.25 H new ATOM 0 HD2 LYS A 37 14.467 24.502 25.107 1.00 33.43 H new ATOM 0 HD3 LYS A 37 14.795 26.059 24.373 1.00 33.43 H new ATOM 0 HE2 LYS A 37 11.973 25.260 25.137 1.00 24.22 H new ATOM 0 HE3 LYS A 37 13.071 25.932 26.326 1.00 24.22 H new ATOM 0 HZ1 LYS A 37 11.612 27.575 25.178 1.00 2.41 H new ATOM 0 HZ2 LYS A 37 13.270 27.931 25.087 1.00 2.41 H new ATOM 0 HZ3 LYS A 37 12.468 27.274 23.743 1.00 2.41 H new ATOM 605 N GLY A 38 17.526 24.304 20.167 1.00 20.11 N ATOM 606 CA GLY A 38 18.511 24.887 19.275 1.00 10.34 C ATOM 607 C GLY A 38 19.223 23.844 18.437 1.00 72.42 C ATOM 608 O GLY A 38 19.678 22.825 18.957 1.00 1.50 O ATOM 0 H GLY A 38 17.522 23.284 20.194 1.00 20.11 H new ATOM 0 HA2 GLY A 38 18.021 25.605 18.617 1.00 10.34 H new ATOM 0 HA3 GLY A 38 19.245 25.441 19.861 1.00 10.34 H new ATOM 612 N ALA A 39 19.319 24.097 17.136 1.00 11.15 N ATOM 613 CA ALA A 39 19.981 23.171 16.224 1.00 44.24 C ATOM 614 C ALA A 39 21.497 23.303 16.314 1.00 34.10 C ATOM 615 O ALA A 39 22.196 22.338 16.620 1.00 74.51 O ATOM 616 CB ALA A 39 19.512 23.410 14.797 1.00 52.14 C ATOM 0 H ALA A 39 18.947 24.935 16.689 1.00 11.15 H new ATOM 0 HA ALA A 39 19.713 22.156 16.517 1.00 44.24 H new ATOM 0 HB1 ALA A 39 20.014 22.712 14.127 1.00 52.14 H new ATOM 0 HB2 ALA A 39 18.434 23.258 14.738 1.00 52.14 H new ATOM 0 HB3 ALA A 39 19.751 24.432 14.502 1.00 52.14 H new ATOM 622 N ASN A 40 22.000 24.504 16.045 1.00 14.22 N ATOM 623 CA ASN A 40 23.435 24.761 16.094 1.00 43.21 C ATOM 624 C ASN A 40 24.007 24.392 17.460 1.00 12.41 C ATOM 625 O ASN A 40 25.110 23.857 17.557 1.00 30.35 O ATOM 626 CB ASN A 40 23.720 26.233 15.790 1.00 51.13 C ATOM 627 CG ASN A 40 24.985 26.419 14.975 1.00 21.10 C ATOM 628 OD1 ASN A 40 24.932 26.607 13.759 1.00 40.20 O ATOM 629 ND2 ASN A 40 26.132 26.368 15.642 1.00 63.21 N ATOM 0 H ASN A 40 21.435 25.314 15.791 1.00 14.22 H new ATOM 0 HA ASN A 40 23.917 24.141 15.338 1.00 43.21 H new ATOM 0 HB2 ASN A 40 22.876 26.660 15.248 1.00 51.13 H new ATOM 0 HB3 ASN A 40 23.810 26.784 16.726 1.00 51.13 H new ATOM 0 HD21 ASN A 40 27.016 26.487 15.147 1.00 63.21 H new ATOM 0 HD22 ASN A 40 26.129 26.210 16.650 1.00 63.21 H new ATOM 636 N GLU A 41 23.247 24.681 18.511 1.00 44.03 N ATOM 637 CA GLU A 41 23.679 24.380 19.871 1.00 31.01 C ATOM 638 C GLU A 41 23.741 22.873 20.101 1.00 34.21 C ATOM 639 O GLU A 41 24.517 22.391 20.926 1.00 13.03 O ATOM 640 CB GLU A 41 22.730 25.022 20.886 1.00 15.00 C ATOM 641 CG GLU A 41 23.395 26.073 21.759 1.00 62.05 C ATOM 642 CD GLU A 41 22.842 26.093 23.171 1.00 73.44 C ATOM 643 OE1 GLU A 41 22.842 25.027 23.822 1.00 2.51 O ATOM 644 OE2 GLU A 41 22.411 27.173 23.625 1.00 2.51 O ATOM 0 H GLU A 41 22.330 25.123 18.447 1.00 44.03 H new ATOM 0 HA GLU A 41 24.679 24.793 20.007 1.00 31.01 H new ATOM 0 HB2 GLU A 41 21.896 25.479 20.353 1.00 15.00 H new ATOM 0 HB3 GLU A 41 22.312 24.243 21.524 1.00 15.00 H new ATOM 0 HG2 GLU A 41 24.468 25.884 21.796 1.00 62.05 H new ATOM 0 HG3 GLU A 41 23.260 27.055 21.306 1.00 62.05 H new ATOM 651 N ALA A 42 22.918 22.133 19.365 1.00 53.22 N ATOM 652 CA ALA A 42 22.880 20.681 19.486 1.00 72.13 C ATOM 653 C ALA A 42 24.276 20.083 19.360 1.00 33.32 C ATOM 654 O ALA A 42 24.570 19.037 19.939 1.00 72.45 O ATOM 655 CB ALA A 42 21.952 20.088 18.435 1.00 75.55 C ATOM 0 H ALA A 42 22.268 22.516 18.678 1.00 53.22 H new ATOM 0 HA ALA A 42 22.496 20.433 20.475 1.00 72.13 H new ATOM 0 HB1 ALA A 42 21.933 19.003 18.537 1.00 75.55 H new ATOM 0 HB2 ALA A 42 20.946 20.483 18.574 1.00 75.55 H new ATOM 0 HB3 ALA A 42 22.312 20.353 17.441 1.00 75.55 H new ATOM 661 N THR A 43 25.137 20.753 18.598 1.00 4.43 N ATOM 662 CA THR A 43 26.501 20.287 18.394 1.00 72.52 C ATOM 663 C THR A 43 27.195 20.017 19.725 1.00 20.01 C ATOM 664 O THR A 43 28.078 19.164 19.815 1.00 71.30 O ATOM 665 CB THR A 43 27.331 21.309 17.594 1.00 40.33 C ATOM 666 OG1 THR A 43 27.306 22.582 18.251 1.00 25.44 O ATOM 667 CG2 THR A 43 26.794 21.454 16.179 1.00 3.43 C ATOM 0 H THR A 43 24.911 21.621 18.112 1.00 4.43 H new ATOM 0 HA THR A 43 26.436 19.359 17.826 1.00 72.52 H new ATOM 0 HB THR A 43 28.358 20.947 17.541 1.00 40.33 H new ATOM 0 HG1 THR A 43 26.602 23.139 17.858 1.00 25.44 H new ATOM 0 HG21 THR A 43 27.396 22.181 15.634 1.00 3.43 H new ATOM 0 HG22 THR A 43 26.841 20.490 15.672 1.00 3.43 H new ATOM 0 HG23 THR A 43 25.759 21.795 16.216 1.00 3.43 H new ATOM 675 N LYS A 44 26.788 20.748 20.757 1.00 61.33 N ATOM 676 CA LYS A 44 27.368 20.587 22.085 1.00 32.44 C ATOM 677 C LYS A 44 26.765 19.382 22.800 1.00 20.01 C ATOM 678 O LYS A 44 27.485 18.515 23.296 1.00 72.03 O ATOM 679 CB LYS A 44 27.147 21.851 22.918 1.00 15.14 C ATOM 680 CG LYS A 44 28.185 22.931 22.671 1.00 73.45 C ATOM 681 CD LYS A 44 29.206 22.991 23.796 1.00 33.54 C ATOM 682 CE LYS A 44 30.461 22.204 23.451 1.00 31.42 C ATOM 683 NZ LYS A 44 31.667 23.077 23.398 1.00 2.22 N ATOM 0 H LYS A 44 26.058 21.458 20.699 1.00 61.33 H new ATOM 0 HA LYS A 44 28.439 20.419 21.968 1.00 32.44 H new ATOM 0 HB2 LYS A 44 26.158 22.253 22.698 1.00 15.14 H new ATOM 0 HB3 LYS A 44 27.156 21.585 23.975 1.00 15.14 H new ATOM 0 HG2 LYS A 44 28.694 22.739 21.726 1.00 73.45 H new ATOM 0 HG3 LYS A 44 27.690 23.898 22.575 1.00 73.45 H new ATOM 0 HD2 LYS A 44 29.470 24.030 23.995 1.00 33.54 H new ATOM 0 HD3 LYS A 44 28.766 22.593 24.710 1.00 33.54 H new ATOM 0 HE2 LYS A 44 30.613 21.420 24.192 1.00 31.42 H new ATOM 0 HE3 LYS A 44 30.327 21.711 22.488 1.00 31.42 H new ATOM 0 HZ1 LYS A 44 32.501 22.503 23.160 1.00 2.22 H new ATOM 0 HZ2 LYS A 44 31.533 23.810 22.673 1.00 2.22 H new ATOM 0 HZ3 LYS A 44 31.810 23.528 24.324 1.00 2.22 H new ATOM 697 N THR A 45 25.437 19.332 22.848 1.00 62.21 N ATOM 698 CA THR A 45 24.736 18.234 23.502 1.00 35.42 C ATOM 699 C THR A 45 25.229 16.885 22.989 1.00 44.50 C ATOM 700 O THR A 45 25.544 15.989 23.773 1.00 40.41 O ATOM 701 CB THR A 45 23.215 18.329 23.283 1.00 44.30 C ATOM 702 OG1 THR A 45 22.937 18.735 21.938 1.00 41.12 O ATOM 703 CG2 THR A 45 22.589 19.317 24.256 1.00 54.34 C ATOM 0 H THR A 45 24.825 20.040 22.441 1.00 62.21 H new ATOM 0 HA THR A 45 24.947 18.314 24.568 1.00 35.42 H new ATOM 0 HB THR A 45 22.783 17.344 23.461 1.00 44.30 H new ATOM 0 HG1 THR A 45 23.775 18.785 21.432 1.00 41.12 H new ATOM 0 HG21 THR A 45 21.514 19.367 24.082 1.00 54.34 H new ATOM 0 HG22 THR A 45 22.776 18.989 25.278 1.00 54.34 H new ATOM 0 HG23 THR A 45 23.027 20.304 24.105 1.00 54.34 H new ATOM 711 N LEU A 46 25.294 16.747 21.670 1.00 12.51 N ATOM 712 CA LEU A 46 25.749 15.506 21.051 1.00 61.15 C ATOM 713 C LEU A 46 27.115 15.098 21.594 1.00 32.13 C ATOM 714 O LEU A 46 27.373 13.917 21.824 1.00 73.34 O ATOM 715 CB LEU A 46 25.818 15.666 19.532 1.00 11.13 C ATOM 716 CG LEU A 46 25.359 14.461 18.709 1.00 32.33 C ATOM 717 CD1 LEU A 46 25.592 14.707 17.227 1.00 53.15 C ATOM 718 CD2 LEU A 46 26.082 13.200 19.162 1.00 40.24 C ATOM 0 H LEU A 46 25.037 17.479 21.008 1.00 12.51 H new ATOM 0 HA LEU A 46 25.032 14.722 21.294 1.00 61.15 H new ATOM 0 HB2 LEU A 46 25.211 16.526 19.249 1.00 11.13 H new ATOM 0 HB3 LEU A 46 26.847 15.898 19.257 1.00 11.13 H new ATOM 0 HG LEU A 46 24.290 14.321 18.869 1.00 32.33 H new ATOM 0 HD11 LEU A 46 25.260 13.839 16.657 1.00 53.15 H new ATOM 0 HD12 LEU A 46 25.029 15.586 16.911 1.00 53.15 H new ATOM 0 HD13 LEU A 46 26.654 14.873 17.048 1.00 53.15 H new ATOM 0 HD21 LEU A 46 25.743 12.352 18.566 1.00 40.24 H new ATOM 0 HD22 LEU A 46 27.156 13.330 19.031 1.00 40.24 H new ATOM 0 HD23 LEU A 46 25.865 13.014 20.214 1.00 40.24 H new ATOM 730 N ASN A 47 27.983 16.082 21.797 1.00 71.42 N ATOM 731 CA ASN A 47 29.323 15.824 22.315 1.00 41.43 C ATOM 732 C ASN A 47 29.262 15.312 23.751 1.00 52.04 C ATOM 733 O ASN A 47 29.997 14.399 24.126 1.00 72.43 O ATOM 734 CB ASN A 47 30.170 17.097 22.250 1.00 44.04 C ATOM 735 CG ASN A 47 31.293 16.994 21.235 1.00 42.41 C ATOM 736 OD1 ASN A 47 32.255 16.253 21.431 1.00 32.44 O ATOM 737 ND2 ASN A 47 31.172 17.741 20.144 1.00 21.12 N ATOM 0 H ASN A 47 27.784 17.065 21.611 1.00 71.42 H new ATOM 0 HA ASN A 47 29.785 15.056 21.694 1.00 41.43 H new ATOM 0 HB2 ASN A 47 29.531 17.943 21.996 1.00 44.04 H new ATOM 0 HB3 ASN A 47 30.591 17.300 23.234 1.00 44.04 H new ATOM 0 HD21 ASN A 47 31.895 17.715 19.425 1.00 21.12 H new ATOM 0 HD22 ASN A 47 30.356 18.341 20.025 1.00 21.12 H new ATOM 744 N ARG A 48 28.381 15.907 24.549 1.00 34.22 N ATOM 745 CA ARG A 48 28.226 15.512 25.943 1.00 3.42 C ATOM 746 C ARG A 48 27.723 14.075 26.047 1.00 25.15 C ATOM 747 O ARG A 48 27.938 13.403 27.056 1.00 32.21 O ATOM 748 CB ARG A 48 27.256 16.455 26.657 1.00 10.32 C ATOM 749 CG ARG A 48 27.894 17.760 27.104 1.00 13.23 C ATOM 750 CD ARG A 48 26.857 18.729 27.649 1.00 31.00 C ATOM 751 NE ARG A 48 27.255 20.121 27.459 1.00 74.20 N ATOM 752 CZ ARG A 48 28.148 20.742 28.224 1.00 5.43 C ATOM 753 NH1 ARG A 48 28.730 20.096 29.225 1.00 31.32 N ATOM 754 NH2 ARG A 48 28.457 22.010 27.988 1.00 63.51 N ATOM 0 H ARG A 48 27.764 16.664 24.254 1.00 34.22 H new ATOM 0 HA ARG A 48 29.203 15.574 26.423 1.00 3.42 H new ATOM 0 HB2 ARG A 48 26.422 16.677 25.991 1.00 10.32 H new ATOM 0 HB3 ARG A 48 26.842 15.946 27.527 1.00 10.32 H new ATOM 0 HG2 ARG A 48 28.642 17.557 27.870 1.00 13.23 H new ATOM 0 HG3 ARG A 48 28.415 18.218 26.263 1.00 13.23 H new ATOM 0 HD2 ARG A 48 25.902 18.554 27.153 1.00 31.00 H new ATOM 0 HD3 ARG A 48 26.705 18.537 28.711 1.00 31.00 H new ATOM 0 HE ARG A 48 26.824 20.646 26.698 1.00 74.20 H new ATOM 0 HH11 ARG A 48 28.493 19.121 29.409 1.00 31.32 H new ATOM 0 HH12 ARG A 48 29.415 20.574 29.811 1.00 31.32 H new ATOM 0 HH21 ARG A 48 28.010 22.509 27.219 1.00 63.51 H new ATOM 0 HH22 ARG A 48 29.142 22.486 28.575 1.00 63.51 H new ATOM 768 N GLY A 49 27.051 13.609 24.998 1.00 64.41 N ATOM 769 CA GLY A 49 26.529 12.256 24.993 1.00 1.23 C ATOM 770 C GLY A 49 25.277 12.114 25.835 1.00 64.31 C ATOM 771 O GLY A 49 25.111 11.125 26.551 1.00 52.10 O ATOM 0 H GLY A 49 26.859 14.145 24.152 1.00 64.41 H new ATOM 0 HA2 GLY A 49 26.309 11.959 23.968 1.00 1.23 H new ATOM 0 HA3 GLY A 49 27.293 11.574 25.366 1.00 1.23 H new ATOM 775 N ILE A 50 24.395 13.104 25.753 1.00 51.24 N ATOM 776 CA ILE A 50 23.153 13.085 26.515 1.00 40.34 C ATOM 777 C ILE A 50 21.941 13.154 25.592 1.00 11.13 C ATOM 778 O ILE A 50 20.802 13.001 26.033 1.00 43.31 O ATOM 779 CB ILE A 50 23.088 14.254 27.516 1.00 42.14 C ATOM 780 CG1 ILE A 50 23.744 15.501 26.920 1.00 12.30 C ATOM 781 CG2 ILE A 50 23.762 13.869 28.824 1.00 0.13 C ATOM 782 CD1 ILE A 50 23.092 15.975 25.640 1.00 22.25 C ATOM 0 H ILE A 50 24.518 13.929 25.166 1.00 51.24 H new ATOM 0 HA ILE A 50 23.135 12.144 27.066 1.00 40.34 H new ATOM 0 HB ILE A 50 22.042 14.479 27.721 1.00 42.14 H new ATOM 0 HG12 ILE A 50 23.710 16.305 27.655 1.00 12.30 H new ATOM 0 HG13 ILE A 50 24.796 15.291 26.726 1.00 12.30 H new ATOM 0 HG21 ILE A 50 23.708 14.705 29.521 1.00 0.13 H new ATOM 0 HG22 ILE A 50 23.255 13.005 29.254 1.00 0.13 H new ATOM 0 HG23 ILE A 50 24.806 13.621 28.636 1.00 0.13 H new ATOM 0 HD11 ILE A 50 23.609 16.862 25.275 1.00 22.25 H new ATOM 0 HD12 ILE A 50 23.149 15.187 24.889 1.00 22.25 H new ATOM 0 HD13 ILE A 50 22.047 16.218 25.832 1.00 22.25 H new ATOM 794 N SER A 51 22.195 13.384 24.307 1.00 45.20 N ATOM 795 CA SER A 51 21.123 13.474 23.321 1.00 71.44 C ATOM 796 C SER A 51 20.547 12.095 23.017 1.00 32.11 C ATOM 797 O SER A 51 21.026 11.393 22.128 1.00 21.54 O ATOM 798 CB SER A 51 21.641 14.119 22.034 1.00 71.23 C ATOM 799 OG SER A 51 22.153 15.417 22.283 1.00 22.33 O ATOM 0 H SER A 51 23.132 13.511 23.925 1.00 45.20 H new ATOM 0 HA SER A 51 20.330 14.095 23.737 1.00 71.44 H new ATOM 0 HB2 SER A 51 22.421 13.494 21.599 1.00 71.23 H new ATOM 0 HB3 SER A 51 20.835 14.177 21.303 1.00 71.23 H new ATOM 0 HG SER A 51 22.479 15.806 21.445 1.00 22.33 H new ATOM 805 N GLU A 52 19.514 11.715 23.763 1.00 14.22 N ATOM 806 CA GLU A 52 18.871 10.420 23.574 1.00 30.24 C ATOM 807 C GLU A 52 17.497 10.583 22.931 1.00 32.01 C ATOM 808 O GLU A 52 16.987 9.664 22.289 1.00 1.32 O ATOM 809 CB GLU A 52 18.737 9.692 24.913 1.00 74.11 C ATOM 810 CG GLU A 52 19.749 8.575 25.103 1.00 75.24 C ATOM 811 CD GLU A 52 19.275 7.254 24.531 1.00 41.11 C ATOM 812 OE1 GLU A 52 19.461 7.031 23.317 1.00 33.44 O ATOM 813 OE2 GLU A 52 18.719 6.442 25.299 1.00 45.51 O ATOM 0 H GLU A 52 19.105 12.285 24.503 1.00 14.22 H new ATOM 0 HA GLU A 52 19.496 9.827 22.907 1.00 30.24 H new ATOM 0 HB2 GLU A 52 18.849 10.414 25.722 1.00 74.11 H new ATOM 0 HB3 GLU A 52 17.732 9.278 24.993 1.00 74.11 H new ATOM 0 HG2 GLU A 52 20.688 8.856 24.627 1.00 75.24 H new ATOM 0 HG3 GLU A 52 19.954 8.453 26.167 1.00 75.24 H new ATOM 820 N PHE A 53 16.903 11.758 23.107 1.00 5.11 N ATOM 821 CA PHE A 53 15.587 12.042 22.547 1.00 0.05 C ATOM 822 C PHE A 53 15.589 13.372 21.800 1.00 74.52 C ATOM 823 O PHE A 53 15.763 14.433 22.401 1.00 52.42 O ATOM 824 CB PHE A 53 14.532 12.068 23.654 1.00 10.12 C ATOM 825 CG PHE A 53 13.149 12.381 23.157 1.00 71.31 C ATOM 826 CD1 PHE A 53 12.647 11.754 22.028 1.00 52.44 C ATOM 827 CD2 PHE A 53 12.352 13.300 23.820 1.00 32.11 C ATOM 828 CE1 PHE A 53 11.374 12.041 21.569 1.00 74.50 C ATOM 829 CE2 PHE A 53 11.080 13.590 23.365 1.00 64.24 C ATOM 830 CZ PHE A 53 10.590 12.959 22.239 1.00 51.43 C ATOM 0 H PHE A 53 17.312 12.530 23.633 1.00 5.11 H new ATOM 0 HA PHE A 53 15.342 11.249 21.841 1.00 0.05 H new ATOM 0 HB2 PHE A 53 14.519 11.100 24.155 1.00 10.12 H new ATOM 0 HB3 PHE A 53 14.818 12.810 24.400 1.00 10.12 H new ATOM 0 HD1 PHE A 53 13.256 11.034 21.501 1.00 52.44 H new ATOM 0 HD2 PHE A 53 12.729 13.795 24.702 1.00 32.11 H new ATOM 0 HE1 PHE A 53 10.994 11.547 20.687 1.00 74.50 H new ATOM 0 HE2 PHE A 53 10.469 14.310 23.890 1.00 64.24 H new ATOM 0 HZ PHE A 53 9.595 13.183 21.883 1.00 51.43 H new ATOM 840 N ILE A 54 15.398 13.307 20.487 1.00 73.22 N ATOM 841 CA ILE A 54 15.378 14.506 19.658 1.00 33.14 C ATOM 842 C ILE A 54 14.045 14.649 18.931 1.00 12.31 C ATOM 843 O ILE A 54 13.394 13.656 18.604 1.00 52.35 O ATOM 844 CB ILE A 54 16.516 14.493 18.620 1.00 22.50 C ATOM 845 CG1 ILE A 54 17.849 14.166 19.299 1.00 34.12 C ATOM 846 CG2 ILE A 54 16.596 15.832 17.904 1.00 15.33 C ATOM 847 CD1 ILE A 54 18.278 15.199 20.316 1.00 70.00 C ATOM 0 H ILE A 54 15.255 12.437 19.974 1.00 73.22 H new ATOM 0 HA ILE A 54 15.518 15.354 20.328 1.00 33.14 H new ATOM 0 HB ILE A 54 16.305 13.720 17.881 1.00 22.50 H new ATOM 0 HG12 ILE A 54 17.769 13.196 19.790 1.00 34.12 H new ATOM 0 HG13 ILE A 54 18.623 14.075 18.537 1.00 34.12 H new ATOM 0 HG21 ILE A 54 17.405 15.806 17.174 1.00 15.33 H new ATOM 0 HG22 ILE A 54 15.653 16.029 17.394 1.00 15.33 H new ATOM 0 HG23 ILE A 54 16.787 16.622 18.630 1.00 15.33 H new ATOM 0 HD11 ILE A 54 19.230 14.902 20.757 1.00 70.00 H new ATOM 0 HD12 ILE A 54 18.390 16.166 19.827 1.00 70.00 H new ATOM 0 HD13 ILE A 54 17.523 15.274 21.099 1.00 70.00 H new ATOM 859 N VAL A 55 13.645 15.891 18.678 1.00 75.43 N ATOM 860 CA VAL A 55 12.392 16.165 17.986 1.00 41.33 C ATOM 861 C VAL A 55 12.528 17.365 17.056 1.00 10.54 C ATOM 862 O VAL A 55 13.205 18.340 17.379 1.00 12.33 O ATOM 863 CB VAL A 55 11.247 16.431 18.984 1.00 15.55 C ATOM 864 CG1 VAL A 55 9.915 16.521 18.254 1.00 51.21 C ATOM 865 CG2 VAL A 55 11.208 15.347 20.049 1.00 61.33 C ATOM 0 H VAL A 55 14.171 16.724 18.942 1.00 75.43 H new ATOM 0 HA VAL A 55 12.155 15.278 17.398 1.00 41.33 H new ATOM 0 HB VAL A 55 11.430 17.386 19.477 1.00 15.55 H new ATOM 0 HG11 VAL A 55 9.118 16.709 18.973 1.00 51.21 H new ATOM 0 HG12 VAL A 55 9.951 17.336 17.531 1.00 51.21 H new ATOM 0 HG13 VAL A 55 9.721 15.583 17.734 1.00 51.21 H new ATOM 0 HG21 VAL A 55 10.394 15.550 20.745 1.00 61.33 H new ATOM 0 HG22 VAL A 55 11.048 14.378 19.576 1.00 61.33 H new ATOM 0 HG23 VAL A 55 12.154 15.335 20.590 1.00 61.33 H new ATOM 875 N MET A 56 11.880 17.286 15.897 1.00 23.34 N ATOM 876 CA MET A 56 11.929 18.366 14.919 1.00 4.31 C ATOM 877 C MET A 56 10.635 18.426 14.112 1.00 0.31 C ATOM 878 O MET A 56 9.750 17.587 14.277 1.00 64.14 O ATOM 879 CB MET A 56 13.121 18.179 13.980 1.00 41.13 C ATOM 880 CG MET A 56 13.040 16.915 13.139 1.00 70.31 C ATOM 881 SD MET A 56 14.129 15.610 13.741 1.00 23.20 S ATOM 882 CE MET A 56 15.093 15.267 12.271 1.00 61.33 C ATOM 0 H MET A 56 11.315 16.485 15.613 1.00 23.34 H new ATOM 0 HA MET A 56 12.045 19.306 15.458 1.00 4.31 H new ATOM 0 HB2 MET A 56 13.190 19.042 13.318 1.00 41.13 H new ATOM 0 HB3 MET A 56 14.037 18.155 14.570 1.00 41.13 H new ATOM 0 HG2 MET A 56 12.012 16.552 13.134 1.00 70.31 H new ATOM 0 HG3 MET A 56 13.299 17.152 12.107 1.00 70.31 H new ATOM 0 HE1 MET A 56 14.834 14.280 11.888 1.00 61.33 H new ATOM 0 HE2 MET A 56 14.878 16.018 11.511 1.00 61.33 H new ATOM 0 HE3 MET A 56 16.154 15.294 12.518 1.00 61.33 H new ATOM 892 N ALA A 57 10.534 19.424 13.240 1.00 43.52 N ATOM 893 CA ALA A 57 9.349 19.593 12.408 1.00 13.23 C ATOM 894 C ALA A 57 9.623 19.161 10.971 1.00 33.45 C ATOM 895 O ALA A 57 10.610 19.576 10.365 1.00 74.24 O ATOM 896 CB ALA A 57 8.878 21.039 12.445 1.00 70.12 C ATOM 0 H ALA A 57 11.258 20.127 13.092 1.00 43.52 H new ATOM 0 HA ALA A 57 8.560 18.956 12.809 1.00 13.23 H new ATOM 0 HB1 ALA A 57 7.993 21.149 11.819 1.00 70.12 H new ATOM 0 HB2 ALA A 57 8.634 21.316 13.471 1.00 70.12 H new ATOM 0 HB3 ALA A 57 9.669 21.689 12.072 1.00 70.12 H new ATOM 902 N ALA A 58 8.743 18.323 10.431 1.00 50.20 N ATOM 903 CA ALA A 58 8.889 17.837 9.065 1.00 33.32 C ATOM 904 C ALA A 58 8.969 18.994 8.075 1.00 62.01 C ATOM 905 O ALA A 58 9.520 18.853 6.984 1.00 2.03 O ATOM 906 CB ALA A 58 7.735 16.913 8.708 1.00 23.15 C ATOM 0 H ALA A 58 7.921 17.967 10.920 1.00 50.20 H new ATOM 0 HA ALA A 58 9.822 17.276 9.003 1.00 33.32 H new ATOM 0 HB1 ALA A 58 7.857 16.557 7.685 1.00 23.15 H new ATOM 0 HB2 ALA A 58 7.726 16.062 9.389 1.00 23.15 H new ATOM 0 HB3 ALA A 58 6.794 17.456 8.794 1.00 23.15 H new ATOM 912 N ASP A 59 8.415 20.138 8.464 1.00 32.45 N ATOM 913 CA ASP A 59 8.424 21.319 7.610 1.00 43.33 C ATOM 914 C ASP A 59 9.438 22.344 8.110 1.00 22.03 C ATOM 915 O ASP A 59 9.314 23.537 7.841 1.00 51.52 O ATOM 916 CB ASP A 59 7.030 21.947 7.558 1.00 40.51 C ATOM 917 CG ASP A 59 6.039 21.094 6.791 1.00 15.11 C ATOM 918 OD1 ASP A 59 5.508 20.129 7.378 1.00 31.00 O ATOM 919 OD2 ASP A 59 5.796 21.392 5.602 1.00 0.51 O ATOM 0 H ASP A 59 7.955 20.272 9.364 1.00 32.45 H new ATOM 0 HA ASP A 59 8.713 21.009 6.606 1.00 43.33 H new ATOM 0 HB2 ASP A 59 6.665 22.098 8.574 1.00 40.51 H new ATOM 0 HB3 ASP A 59 7.095 22.931 7.093 1.00 40.51 H new ATOM 924 N ALA A 60 10.440 21.867 8.841 1.00 65.14 N ATOM 925 CA ALA A 60 11.476 22.742 9.379 1.00 0.05 C ATOM 926 C ALA A 60 12.642 22.873 8.406 1.00 41.53 C ATOM 927 O ALA A 60 13.194 21.875 7.946 1.00 24.04 O ATOM 928 CB ALA A 60 11.963 22.218 10.722 1.00 41.12 C ATOM 0 H ALA A 60 10.557 20.881 9.074 1.00 65.14 H new ATOM 0 HA ALA A 60 11.043 23.732 9.523 1.00 0.05 H new ATOM 0 HB1 ALA A 60 12.736 22.880 11.112 1.00 41.12 H new ATOM 0 HB2 ALA A 60 11.129 22.181 11.423 1.00 41.12 H new ATOM 0 HB3 ALA A 60 12.374 21.216 10.595 1.00 41.12 H new ATOM 934 N GLU A 61 13.011 24.112 8.096 1.00 70.14 N ATOM 935 CA GLU A 61 14.112 24.373 7.175 1.00 4.22 C ATOM 936 C GLU A 61 14.889 25.617 7.595 1.00 41.10 C ATOM 937 O GLU A 61 14.393 26.472 8.331 1.00 11.05 O ATOM 938 CB GLU A 61 13.583 24.545 5.750 1.00 53.33 C ATOM 939 CG GLU A 61 12.215 25.205 5.683 1.00 62.21 C ATOM 940 CD GLU A 61 11.749 25.439 4.260 1.00 34.24 C ATOM 941 OE1 GLU A 61 11.656 24.453 3.497 1.00 63.14 O ATOM 942 OE2 GLU A 61 11.479 26.605 3.907 1.00 10.32 O ATOM 0 H GLU A 61 12.564 24.950 8.468 1.00 70.14 H new ATOM 0 HA GLU A 61 14.787 23.518 7.204 1.00 4.22 H new ATOM 0 HB2 GLU A 61 14.293 25.142 5.178 1.00 53.33 H new ATOM 0 HB3 GLU A 61 13.529 23.567 5.271 1.00 53.33 H new ATOM 0 HG2 GLU A 61 11.488 24.579 6.201 1.00 62.21 H new ATOM 0 HG3 GLU A 61 12.249 26.158 6.211 1.00 62.21 H new ATOM 949 N PRO A 62 16.138 25.724 7.118 1.00 22.24 N ATOM 950 CA PRO A 62 16.739 24.712 6.242 1.00 65.44 C ATOM 951 C PRO A 62 17.025 23.406 6.976 1.00 52.42 C ATOM 952 O PRO A 62 17.441 23.411 8.136 1.00 75.23 O ATOM 953 CB PRO A 62 18.046 25.368 5.790 1.00 0.24 C ATOM 954 CG PRO A 62 18.377 26.340 6.869 1.00 1.32 C ATOM 955 CD PRO A 62 17.060 26.837 7.397 1.00 3.20 C ATOM 0 HA PRO A 62 16.077 24.437 5.421 1.00 65.44 H new ATOM 0 HB2 PRO A 62 18.838 24.629 5.667 1.00 0.24 H new ATOM 0 HB3 PRO A 62 17.926 25.869 4.830 1.00 0.24 H new ATOM 0 HG2 PRO A 62 18.959 25.864 7.658 1.00 1.32 H new ATOM 0 HG3 PRO A 62 18.978 27.163 6.482 1.00 1.32 H new ATOM 0 HD2 PRO A 62 17.112 27.058 8.463 1.00 3.20 H new ATOM 0 HD3 PRO A 62 16.747 27.753 6.897 1.00 3.20 H new ATOM 963 N LEU A 63 16.800 22.290 6.294 1.00 24.43 N ATOM 964 CA LEU A 63 17.034 20.974 6.881 1.00 4.33 C ATOM 965 C LEU A 63 18.519 20.751 7.144 1.00 53.12 C ATOM 966 O LEU A 63 18.901 19.826 7.859 1.00 35.02 O ATOM 967 CB LEU A 63 16.498 19.878 5.957 1.00 53.42 C ATOM 968 CG LEU A 63 15.049 19.453 6.191 1.00 4.43 C ATOM 969 CD1 LEU A 63 14.629 18.405 5.172 1.00 52.33 C ATOM 970 CD2 LEU A 63 14.869 18.924 7.606 1.00 65.25 C ATOM 0 H LEU A 63 16.456 22.268 5.334 1.00 24.43 H new ATOM 0 HA LEU A 63 16.505 20.929 7.833 1.00 4.33 H new ATOM 0 HB2 LEU A 63 16.593 20.221 4.927 1.00 53.42 H new ATOM 0 HB3 LEU A 63 17.135 18.999 6.061 1.00 53.42 H new ATOM 0 HG LEU A 63 14.410 20.328 6.068 1.00 4.43 H new ATOM 0 HD11 LEU A 63 13.594 18.114 5.354 1.00 52.33 H new ATOM 0 HD12 LEU A 63 14.718 18.818 4.167 1.00 52.33 H new ATOM 0 HD13 LEU A 63 15.273 17.530 5.263 1.00 52.33 H new ATOM 0 HD21 LEU A 63 13.831 18.626 7.754 1.00 65.25 H new ATOM 0 HD22 LEU A 63 15.519 18.062 7.758 1.00 65.25 H new ATOM 0 HD23 LEU A 63 15.128 19.704 8.322 1.00 65.25 H new ATOM 982 N GLU A 64 19.353 21.609 6.562 1.00 25.51 N ATOM 983 CA GLU A 64 20.797 21.506 6.736 1.00 24.14 C ATOM 984 C GLU A 64 21.163 21.417 8.215 1.00 44.33 C ATOM 985 O GLU A 64 21.940 20.553 8.623 1.00 13.51 O ATOM 986 CB GLU A 64 21.497 22.708 6.098 1.00 14.25 C ATOM 987 CG GLU A 64 21.909 22.476 4.654 1.00 12.21 C ATOM 988 CD GLU A 64 22.922 23.493 4.166 1.00 2.50 C ATOM 989 OE1 GLU A 64 23.106 24.522 4.848 1.00 44.54 O ATOM 990 OE2 GLU A 64 23.530 23.259 3.100 1.00 63.23 O ATOM 0 H GLU A 64 19.053 22.381 5.967 1.00 25.51 H new ATOM 0 HA GLU A 64 21.132 20.594 6.241 1.00 24.14 H new ATOM 0 HB2 GLU A 64 20.833 23.571 6.143 1.00 14.25 H new ATOM 0 HB3 GLU A 64 22.382 22.956 6.684 1.00 14.25 H new ATOM 0 HG2 GLU A 64 22.329 21.475 4.556 1.00 12.21 H new ATOM 0 HG3 GLU A 64 21.025 22.515 4.017 1.00 12.21 H new ATOM 997 N ILE A 65 20.598 22.317 9.013 1.00 12.14 N ATOM 998 CA ILE A 65 20.863 22.340 10.446 1.00 1.31 C ATOM 999 C ILE A 65 20.347 21.074 11.121 1.00 21.14 C ATOM 1000 O ILE A 65 20.873 20.648 12.149 1.00 44.14 O ATOM 1001 CB ILE A 65 20.218 23.566 11.118 1.00 10.15 C ATOM 1002 CG1 ILE A 65 18.704 23.376 11.230 1.00 62.10 C ATOM 1003 CG2 ILE A 65 20.542 24.830 10.336 1.00 71.33 C ATOM 1004 CD1 ILE A 65 17.985 24.578 11.802 1.00 10.15 C ATOM 0 H ILE A 65 19.954 23.040 8.691 1.00 12.14 H new ATOM 0 HA ILE A 65 21.945 22.397 10.566 1.00 1.31 H new ATOM 0 HB ILE A 65 20.628 23.669 12.123 1.00 10.15 H new ATOM 0 HG12 ILE A 65 18.299 23.157 10.242 1.00 62.10 H new ATOM 0 HG13 ILE A 65 18.500 22.508 11.857 1.00 62.10 H new ATOM 0 HG21 ILE A 65 20.079 25.688 10.823 1.00 71.33 H new ATOM 0 HG22 ILE A 65 21.622 24.971 10.303 1.00 71.33 H new ATOM 0 HG23 ILE A 65 20.157 24.738 9.320 1.00 71.33 H new ATOM 0 HD11 ILE A 65 16.916 24.372 11.852 1.00 10.15 H new ATOM 0 HD12 ILE A 65 18.362 24.785 12.803 1.00 10.15 H new ATOM 0 HD13 ILE A 65 18.158 25.444 11.163 1.00 10.15 H new ATOM 1016 N ILE A 66 19.315 20.476 10.535 1.00 23.01 N ATOM 1017 CA ILE A 66 18.730 19.256 11.079 1.00 13.22 C ATOM 1018 C ILE A 66 19.579 18.038 10.734 1.00 51.21 C ATOM 1019 O ILE A 66 19.537 17.021 11.428 1.00 12.40 O ATOM 1020 CB ILE A 66 17.299 19.036 10.552 1.00 62.15 C ATOM 1021 CG1 ILE A 66 16.493 20.334 10.644 1.00 33.25 C ATOM 1022 CG2 ILE A 66 16.613 17.925 11.333 1.00 21.32 C ATOM 1023 CD1 ILE A 66 16.264 20.804 12.063 1.00 51.53 C ATOM 0 H ILE A 66 18.867 20.816 9.684 1.00 23.01 H new ATOM 0 HA ILE A 66 18.696 19.377 12.162 1.00 13.22 H new ATOM 0 HB ILE A 66 17.355 18.738 9.505 1.00 62.15 H new ATOM 0 HG12 ILE A 66 17.014 21.115 10.091 1.00 33.25 H new ATOM 0 HG13 ILE A 66 15.528 20.188 10.158 1.00 33.25 H new ATOM 0 HG21 ILE A 66 15.603 17.781 10.950 1.00 21.32 H new ATOM 0 HG22 ILE A 66 17.179 17.000 11.222 1.00 21.32 H new ATOM 0 HG23 ILE A 66 16.565 18.197 12.387 1.00 21.32 H new ATOM 0 HD11 ILE A 66 15.687 21.728 12.051 1.00 51.53 H new ATOM 0 HD12 ILE A 66 15.716 20.041 12.615 1.00 51.53 H new ATOM 0 HD13 ILE A 66 17.224 20.982 12.547 1.00 51.53 H new ATOM 1035 N LEU A 67 20.353 18.148 9.660 1.00 13.35 N ATOM 1036 CA LEU A 67 21.215 17.055 9.222 1.00 30.30 C ATOM 1037 C LEU A 67 22.600 17.170 9.852 1.00 54.40 C ATOM 1038 O LEU A 67 23.409 16.245 9.771 1.00 20.22 O ATOM 1039 CB LEU A 67 21.333 17.051 7.697 1.00 71.33 C ATOM 1040 CG LEU A 67 21.402 15.675 7.033 1.00 44.33 C ATOM 1041 CD1 LEU A 67 20.436 15.600 5.861 1.00 54.00 C ATOM 1042 CD2 LEU A 67 22.821 15.372 6.578 1.00 34.21 C ATOM 0 H LEU A 67 20.402 18.983 9.076 1.00 13.35 H new ATOM 0 HA LEU A 67 20.765 16.117 9.546 1.00 30.30 H new ATOM 0 HB2 LEU A 67 20.479 17.589 7.285 1.00 71.33 H new ATOM 0 HB3 LEU A 67 22.226 17.611 7.420 1.00 71.33 H new ATOM 0 HG LEU A 67 21.110 14.924 7.767 1.00 44.33 H new ATOM 0 HD11 LEU A 67 20.499 14.614 5.400 1.00 54.00 H new ATOM 0 HD12 LEU A 67 19.420 15.771 6.216 1.00 54.00 H new ATOM 0 HD13 LEU A 67 20.696 16.361 5.126 1.00 54.00 H new ATOM 0 HD21 LEU A 67 22.850 14.389 6.108 1.00 34.21 H new ATOM 0 HD22 LEU A 67 23.142 16.127 5.860 1.00 34.21 H new ATOM 0 HD23 LEU A 67 23.489 15.383 7.439 1.00 34.21 H new ATOM 1054 N HIS A 68 22.867 18.312 10.478 1.00 5.22 N ATOM 1055 CA HIS A 68 24.153 18.546 11.124 1.00 51.45 C ATOM 1056 C HIS A 68 24.343 17.612 12.315 1.00 43.01 C ATOM 1057 O HIS A 68 25.407 17.016 12.487 1.00 44.31 O ATOM 1058 CB HIS A 68 24.260 20.002 11.581 1.00 23.12 C ATOM 1059 CG HIS A 68 25.569 20.643 11.236 1.00 4.32 C ATOM 1060 ND1 HIS A 68 25.701 21.604 10.256 1.00 44.42 N ATOM 1061 CD2 HIS A 68 26.808 20.457 11.749 1.00 40.23 C ATOM 1062 CE1 HIS A 68 26.965 21.981 10.180 1.00 23.13 C ATOM 1063 NE2 HIS A 68 27.657 21.301 11.075 1.00 21.43 N ATOM 0 H HIS A 68 22.210 19.089 10.551 1.00 5.22 H new ATOM 0 HA HIS A 68 24.939 18.341 10.397 1.00 51.45 H new ATOM 0 HB2 HIS A 68 23.453 20.577 11.128 1.00 23.12 H new ATOM 0 HB3 HIS A 68 24.116 20.047 12.661 1.00 23.12 H new ATOM 0 HD2 HIS A 68 27.078 19.773 12.540 1.00 40.23 H new ATOM 0 HE1 HIS A 68 27.364 22.720 9.501 1.00 23.13 H new ATOM 0 HE2 HIS A 68 28.660 21.388 11.240 1.00 21.43 H new ATOM 1071 N LEU A 69 23.304 17.488 13.135 1.00 70.25 N ATOM 1072 CA LEU A 69 23.356 16.627 14.311 1.00 41.23 C ATOM 1073 C LEU A 69 23.822 15.224 13.938 1.00 35.44 C ATOM 1074 O LEU A 69 24.839 14.730 14.426 1.00 64.42 O ATOM 1075 CB LEU A 69 21.982 16.559 14.978 1.00 43.14 C ATOM 1076 CG LEU A 69 21.787 17.451 16.205 1.00 44.33 C ATOM 1077 CD1 LEU A 69 20.310 17.571 16.548 1.00 14.41 C ATOM 1078 CD2 LEU A 69 22.569 16.906 17.391 1.00 1.52 C ATOM 0 H LEU A 69 22.416 17.973 13.007 1.00 70.25 H new ATOM 0 HA LEU A 69 24.073 17.054 15.012 1.00 41.23 H new ATOM 0 HB2 LEU A 69 21.227 16.824 14.237 1.00 43.14 H new ATOM 0 HB3 LEU A 69 21.793 15.526 15.271 1.00 43.14 H new ATOM 0 HG LEU A 69 22.167 18.446 15.971 1.00 44.33 H new ATOM 0 HD11 LEU A 69 20.190 18.209 17.423 1.00 14.41 H new ATOM 0 HD12 LEU A 69 19.775 18.008 15.705 1.00 14.41 H new ATOM 0 HD13 LEU A 69 19.905 16.582 16.762 1.00 14.41 H new ATOM 0 HD21 LEU A 69 22.418 17.554 18.255 1.00 1.52 H new ATOM 0 HD22 LEU A 69 22.220 15.901 17.626 1.00 1.52 H new ATOM 0 HD23 LEU A 69 23.630 16.873 17.143 1.00 1.52 H new ATOM 1090 N PRO A 70 23.065 14.565 13.048 1.00 11.11 N ATOM 1091 CA PRO A 70 23.383 13.211 12.587 1.00 34.14 C ATOM 1092 C PRO A 70 24.625 13.175 11.702 1.00 13.51 C ATOM 1093 O PRO A 70 24.685 13.849 10.672 1.00 63.15 O ATOM 1094 CB PRO A 70 22.143 12.809 11.784 1.00 30.12 C ATOM 1095 CG PRO A 70 21.550 14.099 11.333 1.00 74.11 C ATOM 1096 CD PRO A 70 21.840 15.093 12.423 1.00 20.13 C ATOM 0 HA PRO A 70 23.607 12.541 13.417 1.00 34.14 H new ATOM 0 HB2 PRO A 70 22.408 12.177 10.936 1.00 30.12 H new ATOM 0 HB3 PRO A 70 21.441 12.243 12.396 1.00 30.12 H new ATOM 0 HG2 PRO A 70 21.986 14.419 10.387 1.00 74.11 H new ATOM 0 HG3 PRO A 70 20.477 13.999 11.171 1.00 74.11 H new ATOM 0 HD2 PRO A 70 21.993 16.095 12.023 1.00 20.13 H new ATOM 0 HD3 PRO A 70 21.019 15.157 13.138 1.00 20.13 H new ATOM 1104 N LEU A 71 25.613 12.387 12.109 1.00 10.24 N ATOM 1105 CA LEU A 71 26.854 12.264 11.352 1.00 21.31 C ATOM 1106 C LEU A 71 26.716 11.224 10.245 1.00 74.11 C ATOM 1107 O LEU A 71 26.920 11.524 9.067 1.00 22.12 O ATOM 1108 CB LEU A 71 28.006 11.883 12.283 1.00 71.44 C ATOM 1109 CG LEU A 71 28.053 12.614 13.626 1.00 4.25 C ATOM 1110 CD1 LEU A 71 29.106 11.996 14.534 1.00 31.13 C ATOM 1111 CD2 LEU A 71 28.328 14.095 13.419 1.00 0.20 C ATOM 0 H LEU A 71 25.580 11.824 12.959 1.00 10.24 H new ATOM 0 HA LEU A 71 27.068 13.230 10.894 1.00 21.31 H new ATOM 0 HB2 LEU A 71 27.951 10.812 12.477 1.00 71.44 H new ATOM 0 HB3 LEU A 71 28.945 12.065 11.760 1.00 71.44 H new ATOM 0 HG LEU A 71 27.081 12.510 14.108 1.00 4.25 H new ATOM 0 HD11 LEU A 71 29.125 12.529 15.485 1.00 31.13 H new ATOM 0 HD12 LEU A 71 28.864 10.948 14.710 1.00 31.13 H new ATOM 0 HD13 LEU A 71 30.084 12.068 14.058 1.00 31.13 H new ATOM 0 HD21 LEU A 71 28.358 14.598 14.385 1.00 0.20 H new ATOM 0 HD22 LEU A 71 29.286 14.220 12.915 1.00 0.20 H new ATOM 0 HD23 LEU A 71 27.537 14.530 12.808 1.00 0.20 H new ATOM 1123 N LEU A 72 26.367 10.001 10.629 1.00 72.12 N ATOM 1124 CA LEU A 72 26.199 8.917 9.668 1.00 35.43 C ATOM 1125 C LEU A 72 24.735 8.502 9.564 1.00 43.23 C ATOM 1126 O LEU A 72 24.057 8.820 8.585 1.00 63.23 O ATOM 1127 CB LEU A 72 27.053 7.713 10.073 1.00 71.14 C ATOM 1128 CG LEU A 72 28.355 7.522 9.295 1.00 73.40 C ATOM 1129 CD1 LEU A 72 29.268 6.542 10.015 1.00 54.35 C ATOM 1130 CD2 LEU A 72 28.065 7.043 7.879 1.00 72.42 C ATOM 0 H LEU A 72 26.195 9.735 11.599 1.00 72.12 H new ATOM 0 HA LEU A 72 26.526 9.277 8.692 1.00 35.43 H new ATOM 0 HB2 LEU A 72 27.296 7.805 11.132 1.00 71.14 H new ATOM 0 HB3 LEU A 72 26.451 6.811 9.961 1.00 71.14 H new ATOM 0 HG LEU A 72 28.864 8.484 9.234 1.00 73.40 H new ATOM 0 HD11 LEU A 72 30.190 6.419 9.447 1.00 54.35 H new ATOM 0 HD12 LEU A 72 29.503 6.926 11.008 1.00 54.35 H new ATOM 0 HD13 LEU A 72 28.767 5.578 10.107 1.00 54.35 H new ATOM 0 HD21 LEU A 72 29.003 6.912 7.340 1.00 72.42 H new ATOM 0 HD22 LEU A 72 27.534 6.092 7.918 1.00 72.42 H new ATOM 0 HD23 LEU A 72 27.450 7.781 7.364 1.00 72.42 H new ATOM 1142 N CYS A 73 24.252 7.795 10.579 1.00 61.14 N ATOM 1143 CA CYS A 73 22.866 7.339 10.604 1.00 11.21 C ATOM 1144 C CYS A 73 22.518 6.728 11.957 1.00 35.15 C ATOM 1145 O CYS A 73 23.283 6.841 12.914 1.00 32.13 O ATOM 1146 CB CYS A 73 22.624 6.319 9.491 1.00 22.34 C ATOM 1147 SG CYS A 73 21.175 6.670 8.469 1.00 23.14 S ATOM 0 H CYS A 73 24.799 7.525 11.396 1.00 61.14 H new ATOM 0 HA CYS A 73 22.222 8.203 10.441 1.00 11.21 H new ATOM 0 HB2 CYS A 73 23.506 6.280 8.851 1.00 22.34 H new ATOM 0 HB3 CYS A 73 22.510 5.331 9.937 1.00 22.34 H new ATOM 0 HG CYS A 73 20.273 5.754 8.665 1.00 23.14 H new ATOM 1153 N GLU A 74 21.360 6.080 12.028 1.00 12.40 N ATOM 1154 CA GLU A 74 20.910 5.453 13.264 1.00 25.01 C ATOM 1155 C GLU A 74 21.987 4.530 13.829 1.00 43.52 C ATOM 1156 O GLU A 74 22.092 4.352 15.043 1.00 21.05 O ATOM 1157 CB GLU A 74 19.621 4.664 13.024 1.00 33.14 C ATOM 1158 CG GLU A 74 19.717 3.681 11.869 1.00 41.32 C ATOM 1159 CD GLU A 74 18.994 4.167 10.628 1.00 2.30 C ATOM 1160 OE1 GLU A 74 17.902 4.757 10.769 1.00 11.24 O ATOM 1161 OE2 GLU A 74 19.520 3.958 9.515 1.00 51.23 O ATOM 0 H GLU A 74 20.716 5.976 11.244 1.00 12.40 H new ATOM 0 HA GLU A 74 20.713 6.242 13.990 1.00 25.01 H new ATOM 0 HB2 GLU A 74 19.363 4.120 13.933 1.00 33.14 H new ATOM 0 HB3 GLU A 74 18.808 5.363 12.829 1.00 33.14 H new ATOM 0 HG2 GLU A 74 20.766 3.509 11.630 1.00 41.32 H new ATOM 0 HG3 GLU A 74 19.299 2.723 12.177 1.00 41.32 H new ATOM 1168 N ASP A 75 22.782 3.947 12.940 1.00 60.12 N ATOM 1169 CA ASP A 75 23.851 3.043 13.348 1.00 33.35 C ATOM 1170 C ASP A 75 24.817 3.739 14.301 1.00 61.21 C ATOM 1171 O ASP A 75 25.408 3.106 15.177 1.00 30.12 O ATOM 1172 CB ASP A 75 24.606 2.527 12.123 1.00 34.35 C ATOM 1173 CG ASP A 75 24.155 1.140 11.706 1.00 51.40 C ATOM 1174 OD1 ASP A 75 22.930 0.902 11.670 1.00 43.30 O ATOM 1175 OD2 ASP A 75 25.026 0.294 11.416 1.00 35.33 O ATOM 0 H ASP A 75 22.707 4.084 11.932 1.00 60.12 H new ATOM 0 HA ASP A 75 23.400 2.199 13.869 1.00 33.35 H new ATOM 0 HB2 ASP A 75 24.461 3.218 11.293 1.00 34.35 H new ATOM 0 HB3 ASP A 75 25.674 2.509 12.339 1.00 34.35 H new ATOM 1180 N LYS A 76 24.975 5.047 14.125 1.00 35.53 N ATOM 1181 CA LYS A 76 25.870 5.830 14.968 1.00 24.30 C ATOM 1182 C LYS A 76 25.126 6.392 16.175 1.00 63.35 C ATOM 1183 O LYS A 76 25.635 7.262 16.880 1.00 54.22 O ATOM 1184 CB LYS A 76 26.492 6.972 14.162 1.00 74.34 C ATOM 1185 CG LYS A 76 27.827 7.447 14.713 1.00 14.34 C ATOM 1186 CD LYS A 76 28.984 6.994 13.837 1.00 63.21 C ATOM 1187 CE LYS A 76 30.206 6.638 14.670 1.00 73.33 C ATOM 1188 NZ LYS A 76 31.016 7.842 15.006 1.00 25.33 N ATOM 0 H LYS A 76 24.494 5.587 13.405 1.00 35.53 H new ATOM 0 HA LYS A 76 26.662 5.172 15.325 1.00 24.30 H new ATOM 0 HB2 LYS A 76 26.629 6.646 13.131 1.00 74.34 H new ATOM 0 HB3 LYS A 76 25.797 7.812 14.141 1.00 74.34 H new ATOM 0 HG2 LYS A 76 27.827 8.535 14.783 1.00 14.34 H new ATOM 0 HG3 LYS A 76 27.962 7.062 15.724 1.00 14.34 H new ATOM 0 HD2 LYS A 76 28.679 6.129 13.248 1.00 63.21 H new ATOM 0 HD3 LYS A 76 29.240 7.785 13.132 1.00 63.21 H new ATOM 0 HE2 LYS A 76 29.889 6.145 15.589 1.00 73.33 H new ATOM 0 HE3 LYS A 76 30.824 5.925 14.123 1.00 73.33 H new ATOM 0 HZ1 LYS A 76 31.840 7.559 15.574 1.00 25.33 H new ATOM 0 HZ2 LYS A 76 31.340 8.298 14.129 1.00 25.33 H new ATOM 0 HZ3 LYS A 76 30.434 8.511 15.550 1.00 25.33 H new ATOM 1202 N ASN A 77 23.919 5.888 16.409 1.00 15.42 N ATOM 1203 CA ASN A 77 23.105 6.339 17.531 1.00 43.21 C ATOM 1204 C ASN A 77 22.714 7.805 17.365 1.00 62.21 C ATOM 1205 O ASN A 77 23.370 8.698 17.901 1.00 34.12 O ATOM 1206 CB ASN A 77 23.863 6.148 18.846 1.00 23.35 C ATOM 1207 CG ASN A 77 22.936 6.095 20.045 1.00 51.05 C ATOM 1208 OD1 ASN A 77 22.862 7.043 20.828 1.00 43.20 O ATOM 1209 ND2 ASN A 77 22.224 4.985 20.195 1.00 31.14 N ATOM 0 H ASN A 77 23.483 5.166 15.836 1.00 15.42 H new ATOM 0 HA ASN A 77 22.195 5.739 17.553 1.00 43.21 H new ATOM 0 HB2 ASN A 77 24.443 5.226 18.797 1.00 23.35 H new ATOM 0 HB3 ASN A 77 24.573 6.965 18.975 1.00 23.35 H new ATOM 0 HD21 ASN A 77 21.584 4.893 20.984 1.00 31.14 H new ATOM 0 HD22 ASN A 77 22.317 4.224 19.522 1.00 31.14 H new ATOM 1216 N VAL A 78 21.640 8.044 16.620 1.00 41.12 N ATOM 1217 CA VAL A 78 21.159 9.400 16.384 1.00 72.44 C ATOM 1218 C VAL A 78 19.640 9.434 16.274 1.00 44.32 C ATOM 1219 O VAL A 78 19.068 9.297 15.193 1.00 11.51 O ATOM 1220 CB VAL A 78 21.770 9.997 15.102 1.00 3.44 C ATOM 1221 CG1 VAL A 78 21.222 11.394 14.850 1.00 74.40 C ATOM 1222 CG2 VAL A 78 23.288 10.019 15.195 1.00 62.13 C ATOM 0 H VAL A 78 21.086 7.316 16.169 1.00 41.12 H new ATOM 0 HA VAL A 78 21.471 9.999 17.239 1.00 72.44 H new ATOM 0 HB VAL A 78 21.490 9.365 14.259 1.00 3.44 H new ATOM 0 HG11 VAL A 78 21.665 11.800 13.940 1.00 74.40 H new ATOM 0 HG12 VAL A 78 20.139 11.345 14.736 1.00 74.40 H new ATOM 0 HG13 VAL A 78 21.469 12.039 15.693 1.00 74.40 H new ATOM 0 HG21 VAL A 78 23.702 10.444 14.281 1.00 62.13 H new ATOM 0 HG22 VAL A 78 23.592 10.627 16.048 1.00 62.13 H new ATOM 0 HG23 VAL A 78 23.659 9.002 15.323 1.00 62.13 H new ATOM 1232 N PRO A 79 18.967 9.622 17.420 1.00 74.11 N ATOM 1233 CA PRO A 79 17.504 9.679 17.478 1.00 44.10 C ATOM 1234 C PRO A 79 16.947 10.942 16.830 1.00 20.11 C ATOM 1235 O PRO A 79 17.525 12.022 16.953 1.00 73.42 O ATOM 1236 CB PRO A 79 17.208 9.674 18.980 1.00 73.40 C ATOM 1237 CG PRO A 79 18.436 10.236 19.609 1.00 62.32 C ATOM 1238 CD PRO A 79 19.584 9.793 18.746 1.00 31.42 C ATOM 0 HA PRO A 79 17.042 8.854 16.936 1.00 44.10 H new ATOM 0 HB2 PRO A 79 16.332 10.279 19.213 1.00 73.40 H new ATOM 0 HB3 PRO A 79 17.004 8.666 19.340 1.00 73.40 H new ATOM 0 HG2 PRO A 79 18.385 11.324 19.662 1.00 62.32 H new ATOM 0 HG3 PRO A 79 18.553 9.873 20.630 1.00 62.32 H new ATOM 0 HD2 PRO A 79 20.381 10.536 18.725 1.00 31.42 H new ATOM 0 HD3 PRO A 79 20.023 8.863 19.108 1.00 31.42 H new ATOM 1246 N TYR A 80 15.821 10.800 16.140 1.00 22.14 N ATOM 1247 CA TYR A 80 15.187 11.929 15.471 1.00 11.51 C ATOM 1248 C TYR A 80 13.776 11.570 15.014 1.00 43.10 C ATOM 1249 O TYR A 80 13.485 10.414 14.707 1.00 43.02 O ATOM 1250 CB TYR A 80 16.024 12.374 14.271 1.00 51.23 C ATOM 1251 CG TYR A 80 16.272 11.274 13.264 1.00 12.22 C ATOM 1252 CD1 TYR A 80 15.262 10.848 12.409 1.00 43.53 C ATOM 1253 CD2 TYR A 80 17.514 10.660 13.166 1.00 60.22 C ATOM 1254 CE1 TYR A 80 15.483 9.843 11.488 1.00 41.50 C ATOM 1255 CE2 TYR A 80 17.744 9.656 12.247 1.00 33.41 C ATOM 1256 CZ TYR A 80 16.726 9.251 11.410 1.00 34.02 C ATOM 1257 OH TYR A 80 16.951 8.249 10.494 1.00 51.20 O ATOM 0 H TYR A 80 15.329 9.914 16.029 1.00 22.14 H new ATOM 0 HA TYR A 80 15.121 12.750 16.185 1.00 11.51 H new ATOM 0 HB2 TYR A 80 15.520 13.203 13.774 1.00 51.23 H new ATOM 0 HB3 TYR A 80 16.982 12.752 14.627 1.00 51.23 H new ATOM 0 HD1 TYR A 80 14.288 11.311 12.466 1.00 43.53 H new ATOM 0 HD2 TYR A 80 18.314 10.974 13.820 1.00 60.22 H new ATOM 0 HE1 TYR A 80 14.687 9.522 10.832 1.00 41.50 H new ATOM 0 HE2 TYR A 80 18.716 9.190 12.184 1.00 33.41 H new ATOM 0 HH TYR A 80 17.878 7.940 10.568 1.00 51.20 H new ATOM 1267 N VAL A 81 12.901 12.571 14.972 1.00 33.20 N ATOM 1268 CA VAL A 81 11.521 12.362 14.551 1.00 64.13 C ATOM 1269 C VAL A 81 10.961 13.605 13.868 1.00 61.24 C ATOM 1270 O VAL A 81 11.210 14.730 14.302 1.00 11.42 O ATOM 1271 CB VAL A 81 10.619 11.997 15.746 1.00 72.54 C ATOM 1272 CG1 VAL A 81 11.157 10.768 16.464 1.00 43.52 C ATOM 1273 CG2 VAL A 81 10.500 13.174 16.702 1.00 61.13 C ATOM 0 H VAL A 81 13.124 13.534 15.224 1.00 33.20 H new ATOM 0 HA VAL A 81 11.528 11.533 13.843 1.00 64.13 H new ATOM 0 HB VAL A 81 9.623 11.762 15.370 1.00 72.54 H new ATOM 0 HG11 VAL A 81 10.508 10.525 17.305 1.00 43.52 H new ATOM 0 HG12 VAL A 81 11.186 9.926 15.772 1.00 43.52 H new ATOM 0 HG13 VAL A 81 12.163 10.972 16.830 1.00 43.52 H new ATOM 0 HG21 VAL A 81 9.860 12.899 17.540 1.00 61.13 H new ATOM 0 HG22 VAL A 81 11.489 13.442 17.074 1.00 61.13 H new ATOM 0 HG23 VAL A 81 10.066 14.026 16.178 1.00 61.13 H new ATOM 1283 N PHE A 82 10.205 13.394 12.796 1.00 4.11 N ATOM 1284 CA PHE A 82 9.609 14.497 12.051 1.00 71.20 C ATOM 1285 C PHE A 82 8.123 14.628 12.369 1.00 53.54 C ATOM 1286 O PHE A 82 7.330 13.740 12.060 1.00 1.23 O ATOM 1287 CB PHE A 82 9.805 14.289 10.548 1.00 5.11 C ATOM 1288 CG PHE A 82 11.231 14.434 10.103 1.00 55.15 C ATOM 1289 CD1 PHE A 82 11.815 15.688 10.000 1.00 63.41 C ATOM 1290 CD2 PHE A 82 11.990 13.319 9.786 1.00 63.23 C ATOM 1291 CE1 PHE A 82 13.129 15.825 9.591 1.00 4.30 C ATOM 1292 CE2 PHE A 82 13.304 13.450 9.377 1.00 5.31 C ATOM 1293 CZ PHE A 82 13.873 14.705 9.279 1.00 31.54 C ATOM 0 H PHE A 82 9.990 12.469 12.423 1.00 4.11 H new ATOM 0 HA PHE A 82 10.109 15.418 12.351 1.00 71.20 H new ATOM 0 HB2 PHE A 82 9.448 13.295 10.277 1.00 5.11 H new ATOM 0 HB3 PHE A 82 9.189 15.007 10.007 1.00 5.11 H new ATOM 0 HD1 PHE A 82 11.237 16.568 10.242 1.00 63.41 H new ATOM 0 HD2 PHE A 82 11.550 12.336 9.859 1.00 63.23 H new ATOM 0 HE1 PHE A 82 13.572 16.807 9.516 1.00 4.30 H new ATOM 0 HE2 PHE A 82 13.885 12.572 9.134 1.00 5.31 H new ATOM 0 HZ PHE A 82 14.899 14.810 8.959 1.00 31.54 H new ATOM 1303 N VAL A 83 7.753 15.744 12.990 1.00 52.14 N ATOM 1304 CA VAL A 83 6.362 15.993 13.350 1.00 72.12 C ATOM 1305 C VAL A 83 5.772 17.122 12.513 1.00 14.20 C ATOM 1306 O VAL A 83 6.484 18.034 12.091 1.00 42.43 O ATOM 1307 CB VAL A 83 6.224 16.350 14.842 1.00 23.25 C ATOM 1308 CG1 VAL A 83 6.710 15.201 15.713 1.00 70.40 C ATOM 1309 CG2 VAL A 83 6.987 17.628 15.158 1.00 11.44 C ATOM 0 H VAL A 83 8.397 16.490 13.254 1.00 52.14 H new ATOM 0 HA VAL A 83 5.814 15.072 13.152 1.00 72.12 H new ATOM 0 HB VAL A 83 5.170 16.520 15.060 1.00 23.25 H new ATOM 0 HG11 VAL A 83 6.605 15.471 16.764 1.00 70.40 H new ATOM 0 HG12 VAL A 83 6.116 14.311 15.506 1.00 70.40 H new ATOM 0 HG13 VAL A 83 7.758 14.996 15.494 1.00 70.40 H new ATOM 0 HG21 VAL A 83 6.878 17.865 16.216 1.00 11.44 H new ATOM 0 HG22 VAL A 83 8.042 17.489 14.924 1.00 11.44 H new ATOM 0 HG23 VAL A 83 6.588 18.447 14.560 1.00 11.44 H new ATOM 1319 N ARG A 84 4.466 17.055 12.276 1.00 71.10 N ATOM 1320 CA ARG A 84 3.779 18.072 11.489 1.00 12.44 C ATOM 1321 C ARG A 84 3.254 19.191 12.383 1.00 20.33 C ATOM 1322 O ARG A 84 2.098 19.600 12.268 1.00 24.52 O ATOM 1323 CB ARG A 84 2.623 17.446 10.705 1.00 32.14 C ATOM 1324 CG ARG A 84 1.662 16.647 11.571 1.00 51.22 C ATOM 1325 CD ARG A 84 0.303 16.500 10.905 1.00 11.04 C ATOM 1326 NE ARG A 84 -0.747 17.196 11.643 1.00 61.24 N ATOM 1327 CZ ARG A 84 -2.024 17.200 11.278 1.00 71.32 C ATOM 1328 NH1 ARG A 84 -2.407 16.547 10.189 1.00 43.13 N ATOM 1329 NH2 ARG A 84 -2.921 17.857 12.002 1.00 54.42 N ATOM 0 H ARG A 84 3.862 16.307 12.618 1.00 71.10 H new ATOM 0 HA ARG A 84 4.497 18.498 10.788 1.00 12.44 H new ATOM 0 HB2 ARG A 84 2.070 18.236 10.197 1.00 32.14 H new ATOM 0 HB3 ARG A 84 3.030 16.794 9.932 1.00 32.14 H new ATOM 0 HG2 ARG A 84 2.081 15.660 11.766 1.00 51.22 H new ATOM 0 HG3 ARG A 84 1.544 17.140 12.536 1.00 51.22 H new ATOM 0 HD2 ARG A 84 0.353 16.892 9.889 1.00 11.04 H new ATOM 0 HD3 ARG A 84 0.051 15.443 10.826 1.00 11.04 H new ATOM 0 HE ARG A 84 -0.485 17.708 12.486 1.00 61.24 H new ATOM 0 HH11 ARG A 84 -1.720 16.040 9.630 1.00 43.13 H new ATOM 0 HH12 ARG A 84 -3.388 16.551 9.910 1.00 43.13 H new ATOM 0 HH21 ARG A 84 -2.630 18.360 12.840 1.00 54.42 H new ATOM 0 HH22 ARG A 84 -3.901 17.859 11.720 1.00 54.42 H new ATOM 1343 N SER A 85 4.111 19.680 13.274 1.00 1.31 N ATOM 1344 CA SER A 85 3.732 20.749 14.191 1.00 24.23 C ATOM 1345 C SER A 85 4.957 21.541 14.637 1.00 63.40 C ATOM 1346 O SER A 85 5.882 20.993 15.237 1.00 32.15 O ATOM 1347 CB SER A 85 3.013 20.170 15.411 1.00 1.41 C ATOM 1348 OG SER A 85 1.738 19.661 15.058 1.00 23.03 O ATOM 0 H SER A 85 5.071 19.353 13.380 1.00 1.31 H new ATOM 0 HA SER A 85 3.056 21.424 13.666 1.00 24.23 H new ATOM 0 HB2 SER A 85 3.617 19.375 15.849 1.00 1.41 H new ATOM 0 HB3 SER A 85 2.902 20.942 16.172 1.00 1.41 H new ATOM 0 HG SER A 85 1.626 19.706 14.086 1.00 23.03 H new ATOM 1354 N LYS A 86 4.957 22.836 14.340 1.00 10.32 N ATOM 1355 CA LYS A 86 6.065 23.707 14.710 1.00 35.12 C ATOM 1356 C LYS A 86 5.720 24.533 15.945 1.00 52.50 C ATOM 1357 O LYS A 86 6.339 24.381 16.996 1.00 62.52 O ATOM 1358 CB LYS A 86 6.423 24.634 13.546 1.00 1.10 C ATOM 1359 CG LYS A 86 6.691 23.900 12.244 1.00 53.12 C ATOM 1360 CD LYS A 86 5.915 24.511 11.089 1.00 11.22 C ATOM 1361 CE LYS A 86 4.690 23.679 10.739 1.00 63.20 C ATOM 1362 NZ LYS A 86 3.683 24.468 9.978 1.00 0.31 N ATOM 0 H LYS A 86 4.200 23.306 13.843 1.00 10.32 H new ATOM 0 HA LYS A 86 6.925 23.079 14.944 1.00 35.12 H new ATOM 0 HB2 LYS A 86 5.609 25.342 13.393 1.00 1.10 H new ATOM 0 HB3 LYS A 86 7.305 25.215 13.814 1.00 1.10 H new ATOM 0 HG2 LYS A 86 7.758 23.929 12.022 1.00 53.12 H new ATOM 0 HG3 LYS A 86 6.416 22.851 12.354 1.00 53.12 H new ATOM 0 HD2 LYS A 86 5.606 25.523 11.352 1.00 11.22 H new ATOM 0 HD3 LYS A 86 6.563 24.592 10.216 1.00 11.22 H new ATOM 0 HE2 LYS A 86 4.995 22.814 10.150 1.00 63.20 H new ATOM 0 HE3 LYS A 86 4.237 23.298 11.654 1.00 63.20 H new ATOM 0 HZ1 LYS A 86 2.864 23.866 9.759 1.00 0.31 H new ATOM 0 HZ2 LYS A 86 3.373 25.279 10.550 1.00 0.31 H new ATOM 0 HZ3 LYS A 86 4.108 24.811 9.093 1.00 0.31 H new ATOM 1376 N GLN A 87 4.727 25.406 15.808 1.00 70.21 N ATOM 1377 CA GLN A 87 4.299 26.255 16.914 1.00 72.41 C ATOM 1378 C GLN A 87 3.958 25.419 18.142 1.00 30.14 C ATOM 1379 O GLN A 87 4.171 25.847 19.276 1.00 71.23 O ATOM 1380 CB GLN A 87 3.089 27.094 16.501 1.00 42.35 C ATOM 1381 CG GLN A 87 3.397 28.576 16.355 1.00 50.10 C ATOM 1382 CD GLN A 87 2.148 29.418 16.188 1.00 11.35 C ATOM 1383 OE1 GLN A 87 1.879 30.316 16.986 1.00 51.11 O ATOM 1384 NE2 GLN A 87 1.376 29.132 15.146 1.00 2.41 N ATOM 0 H GLN A 87 4.204 25.544 14.943 1.00 70.21 H new ATOM 0 HA GLN A 87 5.124 26.920 17.169 1.00 72.41 H new ATOM 0 HB2 GLN A 87 2.702 26.717 15.554 1.00 42.35 H new ATOM 0 HB3 GLN A 87 2.299 26.967 17.242 1.00 42.35 H new ATOM 0 HG2 GLN A 87 3.946 28.917 17.233 1.00 50.10 H new ATOM 0 HG3 GLN A 87 4.049 28.725 15.494 1.00 50.10 H new ATOM 0 HE21 GLN A 87 1.637 28.379 14.509 1.00 2.41 H new ATOM 0 HE22 GLN A 87 0.522 29.665 14.982 1.00 2.41 H new ATOM 1393 N ALA A 88 3.427 24.223 17.909 1.00 41.11 N ATOM 1394 CA ALA A 88 3.057 23.325 18.997 1.00 71.23 C ATOM 1395 C ALA A 88 4.287 22.880 19.782 1.00 5.24 C ATOM 1396 O ALA A 88 4.249 22.780 21.009 1.00 70.34 O ATOM 1397 CB ALA A 88 2.309 22.117 18.453 1.00 51.43 C ATOM 0 H ALA A 88 3.243 23.853 16.976 1.00 41.11 H new ATOM 0 HA ALA A 88 2.401 23.868 19.677 1.00 71.23 H new ATOM 0 HB1 ALA A 88 2.039 21.455 19.276 1.00 51.43 H new ATOM 0 HB2 ALA A 88 1.405 22.449 17.942 1.00 51.43 H new ATOM 0 HB3 ALA A 88 2.946 21.580 17.750 1.00 51.43 H new ATOM 1403 N LEU A 89 5.374 22.611 19.067 1.00 2.41 N ATOM 1404 CA LEU A 89 6.615 22.174 19.698 1.00 12.55 C ATOM 1405 C LEU A 89 7.257 23.313 20.483 1.00 11.54 C ATOM 1406 O LEU A 89 7.869 23.094 21.526 1.00 33.42 O ATOM 1407 CB LEU A 89 7.591 21.654 18.641 1.00 41.30 C ATOM 1408 CG LEU A 89 8.966 21.225 19.151 1.00 33.11 C ATOM 1409 CD1 LEU A 89 8.858 19.947 19.970 1.00 51.34 C ATOM 1410 CD2 LEU A 89 9.931 21.036 17.989 1.00 71.50 C ATOM 0 H LEU A 89 5.421 22.688 18.051 1.00 2.41 H new ATOM 0 HA LEU A 89 6.377 21.368 20.392 1.00 12.55 H new ATOM 0 HB2 LEU A 89 7.131 20.804 18.137 1.00 41.30 H new ATOM 0 HB3 LEU A 89 7.731 22.432 17.890 1.00 41.30 H new ATOM 0 HG LEU A 89 9.355 22.013 19.796 1.00 33.11 H new ATOM 0 HD11 LEU A 89 9.847 19.657 20.324 1.00 51.34 H new ATOM 0 HD12 LEU A 89 8.202 20.116 20.824 1.00 51.34 H new ATOM 0 HD13 LEU A 89 8.447 19.151 19.349 1.00 51.34 H new ATOM 0 HD21 LEU A 89 10.905 20.731 18.371 1.00 71.50 H new ATOM 0 HD22 LEU A 89 9.547 20.267 17.318 1.00 71.50 H new ATOM 0 HD23 LEU A 89 10.033 21.975 17.444 1.00 71.50 H new ATOM 1422 N GLY A 90 7.110 24.533 19.973 1.00 34.25 N ATOM 1423 CA GLY A 90 7.679 25.689 20.641 1.00 34.24 C ATOM 1424 C GLY A 90 6.844 26.147 21.820 1.00 73.51 C ATOM 1425 O GLY A 90 7.383 26.576 22.841 1.00 14.01 O ATOM 0 H GLY A 90 6.607 24.741 19.110 1.00 34.25 H new ATOM 0 HA2 GLY A 90 8.685 25.448 20.984 1.00 34.24 H new ATOM 0 HA3 GLY A 90 7.774 26.507 19.927 1.00 34.24 H new ATOM 1429 N ARG A 91 5.526 26.058 21.680 1.00 33.35 N ATOM 1430 CA ARG A 91 4.615 26.468 22.741 1.00 52.14 C ATOM 1431 C ARG A 91 4.937 25.744 24.045 1.00 41.44 C ATOM 1432 O ARG A 91 5.175 26.374 25.075 1.00 53.12 O ATOM 1433 CB ARG A 91 3.167 26.192 22.335 1.00 5.42 C ATOM 1434 CG ARG A 91 2.418 27.428 21.866 1.00 34.41 C ATOM 1435 CD ARG A 91 1.283 27.786 22.812 1.00 72.12 C ATOM 1436 NE ARG A 91 1.776 28.316 24.081 1.00 43.21 N ATOM 1437 CZ ARG A 91 1.034 29.040 24.912 1.00 51.41 C ATOM 1438 NH1 ARG A 91 -0.228 29.318 24.609 1.00 60.54 N ATOM 1439 NH2 ARG A 91 1.553 29.488 26.048 1.00 31.10 N ATOM 0 H ARG A 91 5.065 25.705 20.841 1.00 33.35 H new ATOM 0 HA ARG A 91 4.742 27.539 22.900 1.00 52.14 H new ATOM 0 HB2 ARG A 91 3.158 25.448 21.538 1.00 5.42 H new ATOM 0 HB3 ARG A 91 2.638 25.757 23.183 1.00 5.42 H new ATOM 0 HG2 ARG A 91 3.110 28.267 21.792 1.00 34.41 H new ATOM 0 HG3 ARG A 91 2.019 27.255 20.867 1.00 34.41 H new ATOM 0 HD2 ARG A 91 0.635 28.523 22.338 1.00 72.12 H new ATOM 0 HD3 ARG A 91 0.675 26.901 23.000 1.00 72.12 H new ATOM 0 HE ARG A 91 2.742 28.120 24.343 1.00 43.21 H new ATOM 0 HH11 ARG A 91 -0.630 28.976 23.736 1.00 60.54 H new ATOM 0 HH12 ARG A 91 -0.795 29.874 25.249 1.00 60.54 H new ATOM 0 HH21 ARG A 91 2.523 29.277 26.284 1.00 31.10 H new ATOM 0 HH22 ARG A 91 0.982 30.044 26.685 1.00 31.10 H new ATOM 1453 N ALA A 92 4.941 24.416 23.992 1.00 72.41 N ATOM 1454 CA ALA A 92 5.235 23.606 25.168 1.00 14.04 C ATOM 1455 C ALA A 92 6.687 23.774 25.601 1.00 60.31 C ATOM 1456 O ALA A 92 7.019 23.601 26.775 1.00 0.33 O ATOM 1457 CB ALA A 92 4.932 22.141 24.889 1.00 45.30 C ATOM 0 H ALA A 92 4.744 23.879 23.148 1.00 72.41 H new ATOM 0 HA ALA A 92 4.598 23.949 25.983 1.00 14.04 H new ATOM 0 HB1 ALA A 92 5.156 21.548 25.776 1.00 45.30 H new ATOM 0 HB2 ALA A 92 3.878 22.029 24.635 1.00 45.30 H new ATOM 0 HB3 ALA A 92 5.545 21.795 24.057 1.00 45.30 H new ATOM 1463 N CYS A 93 7.549 24.111 24.648 1.00 73.11 N ATOM 1464 CA CYS A 93 8.967 24.301 24.931 1.00 61.51 C ATOM 1465 C CYS A 93 9.178 25.465 25.895 1.00 71.51 C ATOM 1466 O CYS A 93 10.170 25.509 26.623 1.00 50.31 O ATOM 1467 CB CYS A 93 9.739 24.551 23.635 1.00 64.05 C ATOM 1468 SG CYS A 93 10.599 23.095 22.995 1.00 24.11 S ATOM 0 H CYS A 93 7.291 24.258 23.672 1.00 73.11 H new ATOM 0 HA CYS A 93 9.343 23.391 25.399 1.00 61.51 H new ATOM 0 HB2 CYS A 93 9.046 24.913 22.876 1.00 64.05 H new ATOM 0 HB3 CYS A 93 10.467 25.344 23.806 1.00 64.05 H new ATOM 0 HG CYS A 93 9.833 22.476 22.147 1.00 24.11 H new ATOM 1474 N GLY A 94 8.238 26.406 25.894 1.00 60.40 N ATOM 1475 CA GLY A 94 8.341 27.558 26.771 1.00 24.22 C ATOM 1476 C GLY A 94 8.935 28.765 26.075 1.00 14.40 C ATOM 1477 O GLY A 94 9.505 29.646 26.719 1.00 4.32 O ATOM 0 H GLY A 94 7.408 26.391 25.302 1.00 60.40 H new ATOM 0 HA2 GLY A 94 7.351 27.812 27.150 1.00 24.22 H new ATOM 0 HA3 GLY A 94 8.956 27.300 27.633 1.00 24.22 H new ATOM 1481 N VAL A 95 8.804 28.808 24.751 1.00 64.24 N ATOM 1482 CA VAL A 95 9.333 29.916 23.966 1.00 41.54 C ATOM 1483 C VAL A 95 8.226 30.607 23.176 1.00 61.44 C ATOM 1484 O VAL A 95 7.299 29.959 22.690 1.00 64.41 O ATOM 1485 CB VAL A 95 10.425 29.442 22.991 1.00 33.10 C ATOM 1486 CG1 VAL A 95 9.896 28.335 22.092 1.00 63.21 C ATOM 1487 CG2 VAL A 95 10.943 30.610 22.163 1.00 23.44 C ATOM 0 H VAL A 95 8.336 28.088 24.201 1.00 64.24 H new ATOM 0 HA VAL A 95 9.769 30.624 24.671 1.00 41.54 H new ATOM 0 HB VAL A 95 11.255 29.040 23.571 1.00 33.10 H new ATOM 0 HG11 VAL A 95 10.683 28.013 21.410 1.00 63.21 H new ATOM 0 HG12 VAL A 95 9.578 27.490 22.703 1.00 63.21 H new ATOM 0 HG13 VAL A 95 9.047 28.707 21.518 1.00 63.21 H new ATOM 0 HG21 VAL A 95 11.715 30.257 21.479 1.00 23.44 H new ATOM 0 HG22 VAL A 95 10.122 31.043 21.592 1.00 23.44 H new ATOM 0 HG23 VAL A 95 11.364 31.367 22.825 1.00 23.44 H new ATOM 1497 N SER A 96 8.330 31.927 23.052 1.00 22.51 N ATOM 1498 CA SER A 96 7.337 32.706 22.324 1.00 42.34 C ATOM 1499 C SER A 96 7.377 32.383 20.834 1.00 73.32 C ATOM 1500 O SER A 96 6.340 32.306 20.175 1.00 10.21 O ATOM 1501 CB SER A 96 7.574 34.202 22.539 1.00 63.15 C ATOM 1502 OG SER A 96 8.535 34.425 23.557 1.00 11.53 O ATOM 0 H SER A 96 9.092 32.478 23.447 1.00 22.51 H new ATOM 0 HA SER A 96 6.352 32.442 22.709 1.00 42.34 H new ATOM 0 HB2 SER A 96 7.913 34.657 21.608 1.00 63.15 H new ATOM 0 HB3 SER A 96 6.636 34.687 22.808 1.00 63.15 H new ATOM 0 HG SER A 96 8.670 35.389 23.674 1.00 11.53 H new ATOM 1508 N ARG A 97 8.584 32.193 20.309 1.00 11.25 N ATOM 1509 CA ARG A 97 8.762 31.878 18.896 1.00 42.15 C ATOM 1510 C ARG A 97 8.843 30.370 18.681 1.00 41.54 C ATOM 1511 O ARG A 97 9.114 29.600 19.604 1.00 51.34 O ATOM 1512 CB ARG A 97 10.026 32.550 18.358 1.00 50.22 C ATOM 1513 CG ARG A 97 9.773 33.912 17.731 1.00 2.31 C ATOM 1514 CD ARG A 97 10.578 35.002 18.421 1.00 4.44 C ATOM 1515 NE ARG A 97 12.000 34.675 18.486 1.00 11.53 N ATOM 1516 CZ ARG A 97 12.909 35.459 19.053 1.00 1.42 C ATOM 1517 NH1 ARG A 97 12.547 36.609 19.604 1.00 42.51 N ATOM 1518 NH2 ARG A 97 14.184 35.093 19.071 1.00 5.21 N ATOM 0 H ARG A 97 9.452 32.252 20.841 1.00 11.25 H new ATOM 0 HA ARG A 97 7.897 32.258 18.353 1.00 42.15 H new ATOM 0 HB2 ARG A 97 10.742 32.662 19.172 1.00 50.22 H new ATOM 0 HB3 ARG A 97 10.486 31.898 17.616 1.00 50.22 H new ATOM 0 HG2 ARG A 97 10.033 33.881 16.673 1.00 2.31 H new ATOM 0 HG3 ARG A 97 8.711 34.150 17.791 1.00 2.31 H new ATOM 0 HD2 ARG A 97 10.447 35.943 17.887 1.00 4.44 H new ATOM 0 HD3 ARG A 97 10.194 35.152 19.430 1.00 4.44 H new ATOM 0 HE ARG A 97 12.312 33.796 18.073 1.00 11.53 H new ATOM 0 HH11 ARG A 97 11.568 36.894 19.593 1.00 42.51 H new ATOM 0 HH12 ARG A 97 13.248 37.209 20.039 1.00 42.51 H new ATOM 0 HH21 ARG A 97 14.467 34.209 18.649 1.00 5.21 H new ATOM 0 HH22 ARG A 97 14.882 35.696 19.507 1.00 5.21 H new ATOM 1532 N PRO A 98 8.602 29.936 17.436 1.00 13.51 N ATOM 1533 CA PRO A 98 8.643 28.517 17.070 1.00 41.34 C ATOM 1534 C PRO A 98 10.058 27.950 17.099 1.00 44.34 C ATOM 1535 O PRO A 98 11.031 28.674 16.883 1.00 3.14 O ATOM 1536 CB PRO A 98 8.090 28.503 15.642 1.00 23.15 C ATOM 1537 CG PRO A 98 8.375 29.865 15.112 1.00 71.54 C ATOM 1538 CD PRO A 98 8.273 30.797 16.287 1.00 45.52 C ATOM 0 HA PRO A 98 8.077 27.900 17.768 1.00 41.34 H new ATOM 0 HB2 PRO A 98 8.572 27.734 15.038 1.00 23.15 H new ATOM 0 HB3 PRO A 98 7.021 28.291 15.634 1.00 23.15 H new ATOM 0 HG2 PRO A 98 9.368 29.909 14.664 1.00 71.54 H new ATOM 0 HG3 PRO A 98 7.662 30.138 14.334 1.00 71.54 H new ATOM 0 HD2 PRO A 98 8.968 31.632 16.199 1.00 45.52 H new ATOM 0 HD3 PRO A 98 7.273 31.222 16.377 1.00 45.52 H new ATOM 1546 N VAL A 99 10.166 26.653 17.367 1.00 35.23 N ATOM 1547 CA VAL A 99 11.463 25.990 17.422 1.00 11.34 C ATOM 1548 C VAL A 99 11.650 25.049 16.237 1.00 25.21 C ATOM 1549 O VAL A 99 10.713 24.368 15.818 1.00 42.45 O ATOM 1550 CB VAL A 99 11.629 25.192 18.729 1.00 22.42 C ATOM 1551 CG1 VAL A 99 10.499 24.187 18.889 1.00 35.02 C ATOM 1552 CG2 VAL A 99 12.982 24.494 18.758 1.00 41.55 C ATOM 0 H VAL A 99 9.371 26.041 17.549 1.00 35.23 H new ATOM 0 HA VAL A 99 12.221 26.772 17.383 1.00 11.34 H new ATOM 0 HB VAL A 99 11.585 25.888 19.567 1.00 22.42 H new ATOM 0 HG11 VAL A 99 10.634 23.633 19.818 1.00 35.02 H new ATOM 0 HG12 VAL A 99 9.545 24.713 18.916 1.00 35.02 H new ATOM 0 HG13 VAL A 99 10.507 23.493 18.048 1.00 35.02 H new ATOM 0 HG21 VAL A 99 13.083 23.935 19.688 1.00 41.55 H new ATOM 0 HG22 VAL A 99 13.056 23.809 17.913 1.00 41.55 H new ATOM 0 HG23 VAL A 99 13.776 25.238 18.694 1.00 41.55 H new ATOM 1562 N ILE A 100 12.865 25.014 15.702 1.00 22.21 N ATOM 1563 CA ILE A 100 13.175 24.155 14.567 1.00 74.52 C ATOM 1564 C ILE A 100 13.629 22.774 15.029 1.00 0.50 C ATOM 1565 O ILE A 100 13.035 21.760 14.663 1.00 30.23 O ATOM 1566 CB ILE A 100 14.272 24.771 13.677 1.00 41.40 C ATOM 1567 CG1 ILE A 100 13.939 26.229 13.356 1.00 3.41 C ATOM 1568 CG2 ILE A 100 14.430 23.964 12.397 1.00 61.44 C ATOM 1569 CD1 ILE A 100 14.994 26.921 12.521 1.00 4.05 C ATOM 0 H ILE A 100 13.651 25.571 16.037 1.00 22.21 H new ATOM 0 HA ILE A 100 12.258 24.058 13.986 1.00 74.52 H new ATOM 0 HB ILE A 100 15.217 24.745 14.219 1.00 41.40 H new ATOM 0 HG12 ILE A 100 12.986 26.268 12.828 1.00 3.41 H new ATOM 0 HG13 ILE A 100 13.809 26.777 14.289 1.00 3.41 H new ATOM 0 HG21 ILE A 100 15.208 24.411 11.779 1.00 61.44 H new ATOM 0 HG22 ILE A 100 14.707 22.939 12.645 1.00 61.44 H new ATOM 0 HG23 ILE A 100 13.488 23.962 11.849 1.00 61.44 H new ATOM 0 HD11 ILE A 100 14.691 27.951 12.332 1.00 4.05 H new ATOM 0 HD12 ILE A 100 15.944 26.914 13.056 1.00 4.05 H new ATOM 0 HD13 ILE A 100 15.109 26.397 11.572 1.00 4.05 H new ATOM 1581 N ALA A 101 14.682 22.743 15.838 1.00 51.54 N ATOM 1582 CA ALA A 101 15.213 21.488 16.355 1.00 10.22 C ATOM 1583 C ALA A 101 15.498 21.585 17.849 1.00 45.45 C ATOM 1584 O ALA A 101 16.337 22.377 18.281 1.00 4.43 O ATOM 1585 CB ALA A 101 16.475 21.097 15.599 1.00 3.41 C ATOM 0 H ALA A 101 15.185 23.574 16.150 1.00 51.54 H new ATOM 0 HA ALA A 101 14.459 20.715 16.206 1.00 10.22 H new ATOM 0 HB1 ALA A 101 16.861 20.158 15.996 1.00 3.41 H new ATOM 0 HB2 ALA A 101 16.242 20.976 14.541 1.00 3.41 H new ATOM 0 HB3 ALA A 101 17.227 21.877 15.718 1.00 3.41 H new ATOM 1591 N CYS A 102 14.794 20.777 18.635 1.00 11.12 N ATOM 1592 CA CYS A 102 14.970 20.774 20.083 1.00 71.41 C ATOM 1593 C CYS A 102 15.542 19.442 20.558 1.00 60.12 C ATOM 1594 O CYS A 102 15.424 18.425 19.874 1.00 44.12 O ATOM 1595 CB CYS A 102 13.638 21.049 20.780 1.00 25.14 C ATOM 1596 SG CYS A 102 12.300 19.938 20.281 1.00 53.33 S ATOM 0 H CYS A 102 14.096 20.116 18.294 1.00 11.12 H new ATOM 0 HA CYS A 102 15.675 21.564 20.340 1.00 71.41 H new ATOM 0 HB2 CYS A 102 13.780 20.968 21.858 1.00 25.14 H new ATOM 0 HB3 CYS A 102 13.338 22.077 20.575 1.00 25.14 H new ATOM 0 HG CYS A 102 12.694 19.205 19.282 1.00 53.33 H new ATOM 1602 N SER A 103 16.165 19.456 21.732 1.00 40.20 N ATOM 1603 CA SER A 103 16.760 18.251 22.297 1.00 14.04 C ATOM 1604 C SER A 103 16.234 17.993 23.706 1.00 54.05 C ATOM 1605 O SER A 103 15.724 18.899 24.366 1.00 54.44 O ATOM 1606 CB SER A 103 18.285 18.373 22.324 1.00 54.32 C ATOM 1607 OG SER A 103 18.697 19.680 21.963 1.00 55.42 O ATOM 0 H SER A 103 16.271 20.289 22.311 1.00 40.20 H new ATOM 0 HA SER A 103 16.481 17.408 21.664 1.00 14.04 H new ATOM 0 HB2 SER A 103 18.655 18.134 23.321 1.00 54.32 H new ATOM 0 HB3 SER A 103 18.724 17.647 21.639 1.00 54.32 H new ATOM 0 HG SER A 103 19.675 19.734 21.989 1.00 55.42 H new ATOM 1613 N VAL A 104 16.364 16.752 24.161 1.00 1.14 N ATOM 1614 CA VAL A 104 15.904 16.373 25.492 1.00 43.22 C ATOM 1615 C VAL A 104 16.913 15.466 26.185 1.00 21.30 C ATOM 1616 O VAL A 104 17.103 14.314 25.793 1.00 45.40 O ATOM 1617 CB VAL A 104 14.541 15.657 25.432 1.00 31.30 C ATOM 1618 CG1 VAL A 104 14.092 15.247 26.826 1.00 43.04 C ATOM 1619 CG2 VAL A 104 13.502 16.545 24.767 1.00 45.51 C ATOM 0 H VAL A 104 16.784 15.991 23.628 1.00 1.14 H new ATOM 0 HA VAL A 104 15.797 17.295 26.064 1.00 43.22 H new ATOM 0 HB VAL A 104 14.650 14.754 24.832 1.00 31.30 H new ATOM 0 HG11 VAL A 104 13.128 14.743 26.764 1.00 43.04 H new ATOM 0 HG12 VAL A 104 14.828 14.571 27.261 1.00 43.04 H new ATOM 0 HG13 VAL A 104 13.998 16.133 27.453 1.00 43.04 H new ATOM 0 HG21 VAL A 104 12.546 16.023 24.733 1.00 45.51 H new ATOM 0 HG22 VAL A 104 13.392 17.467 25.338 1.00 45.51 H new ATOM 0 HG23 VAL A 104 13.822 16.782 23.752 1.00 45.51 H new ATOM 1629 N THR A 105 17.561 15.992 27.221 1.00 52.44 N ATOM 1630 CA THR A 105 18.552 15.230 27.969 1.00 72.03 C ATOM 1631 C THR A 105 17.890 14.359 29.030 1.00 41.31 C ATOM 1632 O THR A 105 16.968 14.797 29.719 1.00 31.41 O ATOM 1633 CB THR A 105 19.576 16.158 28.650 1.00 74.22 C ATOM 1634 OG1 THR A 105 18.897 17.170 29.402 1.00 50.21 O ATOM 1635 CG2 THR A 105 20.486 16.809 27.619 1.00 61.15 C ATOM 0 H THR A 105 17.416 16.943 27.560 1.00 52.44 H new ATOM 0 HA THR A 105 19.069 14.593 27.251 1.00 72.03 H new ATOM 0 HB THR A 105 20.187 15.556 29.322 1.00 74.22 H new ATOM 0 HG1 THR A 105 19.555 17.754 29.833 1.00 50.21 H new ATOM 0 HG21 THR A 105 21.200 17.460 28.123 1.00 61.15 H new ATOM 0 HG22 THR A 105 21.024 16.037 27.069 1.00 61.15 H new ATOM 0 HG23 THR A 105 19.887 17.398 26.925 1.00 61.15 H new ATOM 1643 N ILE A 106 18.365 13.124 29.156 1.00 50.22 N ATOM 1644 CA ILE A 106 17.819 12.193 30.134 1.00 31.14 C ATOM 1645 C ILE A 106 18.628 12.216 31.427 1.00 31.54 C ATOM 1646 O ILE A 106 19.833 12.469 31.414 1.00 64.52 O ATOM 1647 CB ILE A 106 17.791 10.753 29.586 1.00 32.10 C ATOM 1648 CG1 ILE A 106 17.006 9.840 30.530 1.00 31.34 C ATOM 1649 CG2 ILE A 106 19.207 10.232 29.391 1.00 41.01 C ATOM 1650 CD1 ILE A 106 16.703 8.480 29.942 1.00 35.32 C ATOM 0 H ILE A 106 19.127 12.746 28.593 1.00 50.22 H new ATOM 0 HA ILE A 106 16.798 12.515 30.340 1.00 31.14 H new ATOM 0 HB ILE A 106 17.291 10.758 28.617 1.00 32.10 H new ATOM 0 HG12 ILE A 106 17.573 9.710 31.452 1.00 31.34 H new ATOM 0 HG13 ILE A 106 16.069 10.328 30.798 1.00 31.34 H new ATOM 0 HG21 ILE A 106 19.170 9.214 29.004 1.00 41.01 H new ATOM 0 HG22 ILE A 106 19.735 10.871 28.683 1.00 41.01 H new ATOM 0 HG23 ILE A 106 19.732 10.238 30.346 1.00 41.01 H new ATOM 0 HD11 ILE A 106 16.145 7.887 30.666 1.00 35.32 H new ATOM 0 HD12 ILE A 106 16.109 8.599 29.036 1.00 35.32 H new ATOM 0 HD13 ILE A 106 17.637 7.972 29.700 1.00 35.32 H new ATOM 1662 N LYS A 107 17.957 11.949 32.542 1.00 63.23 N ATOM 1663 CA LYS A 107 18.613 11.936 33.845 1.00 11.03 C ATOM 1664 C LYS A 107 18.494 10.564 34.500 1.00 65.24 C ATOM 1665 O LYS A 107 17.391 10.069 34.729 1.00 52.52 O ATOM 1666 CB LYS A 107 18.002 13.003 34.756 1.00 64.45 C ATOM 1667 CG LYS A 107 19.027 13.742 35.600 1.00 54.52 C ATOM 1668 CD LYS A 107 19.551 14.976 34.883 1.00 60.35 C ATOM 1669 CE LYS A 107 20.974 14.769 34.386 1.00 41.54 C ATOM 1670 NZ LYS A 107 21.981 15.126 35.422 1.00 63.32 N ATOM 0 H LYS A 107 16.959 11.739 32.570 1.00 63.23 H new ATOM 0 HA LYS A 107 19.670 12.157 33.695 1.00 11.03 H new ATOM 0 HB2 LYS A 107 17.460 13.724 34.144 1.00 64.45 H new ATOM 0 HB3 LYS A 107 17.273 12.532 35.415 1.00 64.45 H new ATOM 0 HG2 LYS A 107 18.577 14.034 36.549 1.00 54.52 H new ATOM 0 HG3 LYS A 107 19.857 13.075 35.833 1.00 54.52 H new ATOM 0 HD2 LYS A 107 18.901 15.212 34.041 1.00 60.35 H new ATOM 0 HD3 LYS A 107 19.521 15.831 35.558 1.00 60.35 H new ATOM 0 HE2 LYS A 107 21.108 13.728 34.093 1.00 41.54 H new ATOM 0 HE3 LYS A 107 21.139 15.375 33.495 1.00 41.54 H new ATOM 0 HZ1 LYS A 107 22.938 14.971 35.044 1.00 63.32 H new ATOM 0 HZ2 LYS A 107 21.870 16.126 35.684 1.00 63.32 H new ATOM 0 HZ3 LYS A 107 21.840 14.530 36.263 1.00 63.32 H new ATOM 1684 N GLU A 108 19.637 9.955 34.801 1.00 53.31 N ATOM 1685 CA GLU A 108 19.660 8.641 35.430 1.00 65.23 C ATOM 1686 C GLU A 108 19.362 8.747 36.923 1.00 51.25 C ATOM 1687 O GLU A 108 20.139 9.324 37.682 1.00 24.53 O ATOM 1688 CB GLU A 108 21.019 7.972 35.217 1.00 35.25 C ATOM 1689 CG GLU A 108 21.271 7.550 33.779 1.00 1.33 C ATOM 1690 CD GLU A 108 22.735 7.635 33.394 1.00 74.11 C ATOM 1691 OE1 GLU A 108 23.272 8.762 33.351 1.00 12.23 O ATOM 1692 OE2 GLU A 108 23.344 6.576 33.136 1.00 11.25 O ATOM 0 H GLU A 108 20.559 10.352 34.619 1.00 53.31 H new ATOM 0 HA GLU A 108 18.886 8.031 34.965 1.00 65.23 H new ATOM 0 HB2 GLU A 108 21.806 8.659 35.528 1.00 35.25 H new ATOM 0 HB3 GLU A 108 21.088 7.096 35.861 1.00 35.25 H new ATOM 0 HG2 GLU A 108 20.921 6.527 33.638 1.00 1.33 H new ATOM 0 HG3 GLU A 108 20.686 8.182 33.111 1.00 1.33 H new ATOM 1699 N GLY A 109 18.229 8.187 37.336 1.00 62.53 N ATOM 1700 CA GLY A 109 17.847 8.230 38.736 1.00 12.31 C ATOM 1701 C GLY A 109 16.430 8.728 38.935 1.00 43.33 C ATOM 1702 O GLY A 109 15.820 8.486 39.978 1.00 54.43 O ATOM 0 H GLY A 109 17.569 7.704 36.726 1.00 62.53 H new ATOM 0 HA2 GLY A 109 17.942 7.233 39.166 1.00 12.31 H new ATOM 0 HA3 GLY A 109 18.536 8.878 39.278 1.00 12.31 H new ATOM 1706 N SER A 110 15.903 9.426 37.934 1.00 10.31 N ATOM 1707 CA SER A 110 14.550 9.964 38.006 1.00 42.32 C ATOM 1708 C SER A 110 13.588 9.133 37.162 1.00 30.40 C ATOM 1709 O SER A 110 13.915 8.733 36.044 1.00 23.01 O ATOM 1710 CB SER A 110 14.531 11.420 37.536 1.00 10.52 C ATOM 1711 OG SER A 110 15.255 11.574 36.327 1.00 51.10 O ATOM 0 H SER A 110 16.393 9.632 37.063 1.00 10.31 H new ATOM 0 HA SER A 110 14.224 9.921 39.045 1.00 42.32 H new ATOM 0 HB2 SER A 110 13.501 11.745 37.391 1.00 10.52 H new ATOM 0 HB3 SER A 110 14.962 12.060 38.306 1.00 10.52 H new ATOM 0 HG SER A 110 15.096 12.470 35.962 1.00 51.10 H new ATOM 1717 N GLN A 111 12.403 8.876 37.705 1.00 53.24 N ATOM 1718 CA GLN A 111 11.395 8.092 37.003 1.00 23.33 C ATOM 1719 C GLN A 111 11.096 8.691 35.633 1.00 52.32 C ATOM 1720 O GLN A 111 10.689 7.985 34.709 1.00 4.35 O ATOM 1721 CB GLN A 111 10.111 8.015 37.830 1.00 1.32 C ATOM 1722 CG GLN A 111 9.414 9.355 37.999 1.00 13.40 C ATOM 1723 CD GLN A 111 9.019 9.631 39.437 1.00 75.10 C ATOM 1724 OE1 GLN A 111 9.784 9.365 40.364 1.00 43.22 O ATOM 1725 NE2 GLN A 111 7.820 10.167 39.629 1.00 15.52 N ATOM 0 H GLN A 111 12.117 9.199 38.629 1.00 53.24 H new ATOM 0 HA GLN A 111 11.788 7.085 36.861 1.00 23.33 H new ATOM 0 HB2 GLN A 111 9.424 7.315 37.354 1.00 1.32 H new ATOM 0 HB3 GLN A 111 10.347 7.611 38.815 1.00 1.32 H new ATOM 0 HG2 GLN A 111 10.073 10.150 37.648 1.00 13.40 H new ATOM 0 HG3 GLN A 111 8.524 9.379 37.371 1.00 13.40 H new ATOM 0 HE21 GLN A 111 7.219 10.371 38.831 1.00 15.52 H new ATOM 0 HE22 GLN A 111 7.500 10.375 40.575 1.00 15.52 H new ATOM 1734 N LEU A 112 11.299 9.999 35.508 1.00 33.25 N ATOM 1735 CA LEU A 112 11.051 10.694 34.249 1.00 20.52 C ATOM 1736 C LEU A 112 11.812 10.035 33.104 1.00 34.43 C ATOM 1737 O LEU A 112 11.367 10.054 31.956 1.00 11.24 O ATOM 1738 CB LEU A 112 11.457 12.164 34.368 1.00 1.14 C ATOM 1739 CG LEU A 112 10.541 13.172 33.674 1.00 13.15 C ATOM 1740 CD1 LEU A 112 11.045 14.590 33.891 1.00 42.10 C ATOM 1741 CD2 LEU A 112 10.438 12.863 32.187 1.00 15.15 C ATOM 0 H LEU A 112 11.634 10.599 36.262 1.00 33.25 H new ATOM 0 HA LEU A 112 9.984 10.634 34.033 1.00 20.52 H new ATOM 0 HB2 LEU A 112 11.511 12.421 35.426 1.00 1.14 H new ATOM 0 HB3 LEU A 112 12.462 12.277 33.961 1.00 1.14 H new ATOM 0 HG LEU A 112 9.546 13.091 34.112 1.00 13.15 H new ATOM 0 HD11 LEU A 112 10.380 15.293 33.390 1.00 42.10 H new ATOM 0 HD12 LEU A 112 11.067 14.809 34.959 1.00 42.10 H new ATOM 0 HD13 LEU A 112 12.050 14.686 33.481 1.00 42.10 H new ATOM 0 HD21 LEU A 112 9.782 13.590 31.709 1.00 15.15 H new ATOM 0 HD22 LEU A 112 11.429 12.915 31.735 1.00 15.15 H new ATOM 0 HD23 LEU A 112 10.030 11.862 32.051 1.00 15.15 H new ATOM 1753 N LYS A 113 12.961 9.450 33.422 1.00 71.44 N ATOM 1754 CA LYS A 113 13.784 8.781 32.422 1.00 74.12 C ATOM 1755 C LYS A 113 12.998 7.680 31.719 1.00 13.32 C ATOM 1756 O LYS A 113 13.292 7.327 30.577 1.00 32.22 O ATOM 1757 CB LYS A 113 15.037 8.191 33.072 1.00 65.01 C ATOM 1758 CG LYS A 113 14.761 6.956 33.913 1.00 42.24 C ATOM 1759 CD LYS A 113 15.857 6.725 34.941 1.00 12.31 C ATOM 1760 CE LYS A 113 16.828 5.646 34.486 1.00 32.02 C ATOM 1761 NZ LYS A 113 16.545 4.337 35.136 1.00 35.43 N ATOM 0 H LYS A 113 13.344 9.426 34.367 1.00 71.44 H new ATOM 0 HA LYS A 113 14.082 9.522 31.680 1.00 74.12 H new ATOM 0 HB2 LYS A 113 15.755 7.937 32.293 1.00 65.01 H new ATOM 0 HB3 LYS A 113 15.503 8.951 33.699 1.00 65.01 H new ATOM 0 HG2 LYS A 113 13.803 7.067 34.420 1.00 42.24 H new ATOM 0 HG3 LYS A 113 14.679 6.084 33.264 1.00 42.24 H new ATOM 0 HD2 LYS A 113 16.399 7.655 35.112 1.00 12.31 H new ATOM 0 HD3 LYS A 113 15.410 6.437 35.892 1.00 12.31 H new ATOM 0 HE2 LYS A 113 16.767 5.535 33.403 1.00 32.02 H new ATOM 0 HE3 LYS A 113 17.848 5.954 34.717 1.00 32.02 H new ATOM 0 HZ1 LYS A 113 17.228 3.628 34.800 1.00 35.43 H new ATOM 0 HZ2 LYS A 113 16.628 4.437 36.168 1.00 35.43 H new ATOM 0 HZ3 LYS A 113 15.581 4.031 34.895 1.00 35.43 H new ATOM 1775 N GLN A 114 11.995 7.143 32.407 1.00 13.42 N ATOM 1776 CA GLN A 114 11.166 6.084 31.845 1.00 23.53 C ATOM 1777 C GLN A 114 10.165 6.647 30.843 1.00 54.53 C ATOM 1778 O GLN A 114 9.778 5.969 29.892 1.00 14.52 O ATOM 1779 CB GLN A 114 10.425 5.342 32.961 1.00 71.32 C ATOM 1780 CG GLN A 114 9.547 4.208 32.458 1.00 63.23 C ATOM 1781 CD GLN A 114 8.880 3.444 33.585 1.00 4.20 C ATOM 1782 OE1 GLN A 114 9.516 3.103 34.582 1.00 73.34 O ATOM 1783 NE2 GLN A 114 7.590 3.170 33.431 1.00 64.21 N ATOM 0 H GLN A 114 11.737 7.424 33.353 1.00 13.42 H new ATOM 0 HA GLN A 114 11.820 5.385 31.323 1.00 23.53 H new ATOM 0 HB2 GLN A 114 11.154 4.941 33.666 1.00 71.32 H new ATOM 0 HB3 GLN A 114 9.807 6.052 33.511 1.00 71.32 H new ATOM 0 HG2 GLN A 114 8.782 4.612 31.795 1.00 63.23 H new ATOM 0 HG3 GLN A 114 10.151 3.521 31.866 1.00 63.23 H new ATOM 0 HE21 GLN A 114 7.102 3.472 32.588 1.00 64.21 H new ATOM 0 HE22 GLN A 114 7.087 2.658 34.156 1.00 64.21 H new ATOM 1792 N GLN A 115 9.751 7.891 31.063 1.00 31.12 N ATOM 1793 CA GLN A 115 8.794 8.545 30.177 1.00 64.44 C ATOM 1794 C GLN A 115 9.438 8.889 28.838 1.00 71.55 C ATOM 1795 O GLN A 115 8.969 8.461 27.784 1.00 1.33 O ATOM 1796 CB GLN A 115 8.245 9.812 30.833 1.00 52.23 C ATOM 1797 CG GLN A 115 7.095 9.552 31.792 1.00 53.21 C ATOM 1798 CD GLN A 115 6.856 10.707 32.745 1.00 14.40 C ATOM 1799 OE1 GLN A 115 6.893 10.540 33.964 1.00 1.33 O ATOM 1800 NE2 GLN A 115 6.608 11.889 32.192 1.00 73.12 N ATOM 0 H GLN A 115 10.063 8.466 31.846 1.00 31.12 H new ATOM 0 HA GLN A 115 7.972 7.852 29.996 1.00 64.44 H new ATOM 0 HB2 GLN A 115 9.051 10.310 31.372 1.00 52.23 H new ATOM 0 HB3 GLN A 115 7.910 10.498 30.055 1.00 52.23 H new ATOM 0 HG2 GLN A 115 6.186 9.364 31.221 1.00 53.21 H new ATOM 0 HG3 GLN A 115 7.303 8.649 32.366 1.00 53.21 H new ATOM 0 HE21 GLN A 115 6.587 11.983 31.177 1.00 73.12 H new ATOM 0 HE22 GLN A 115 6.439 12.703 32.783 1.00 73.12 H new ATOM 1809 N ILE A 116 10.517 9.665 28.888 1.00 3.21 N ATOM 1810 CA ILE A 116 11.225 10.066 27.679 1.00 24.13 C ATOM 1811 C ILE A 116 11.693 8.849 26.888 1.00 13.42 C ATOM 1812 O ILE A 116 11.744 8.878 25.658 1.00 50.42 O ATOM 1813 CB ILE A 116 12.442 10.950 28.007 1.00 13.00 C ATOM 1814 CG1 ILE A 116 12.002 12.195 28.780 1.00 73.41 C ATOM 1815 CG2 ILE A 116 13.172 11.342 26.730 1.00 43.53 C ATOM 1816 CD1 ILE A 116 13.141 12.910 29.471 1.00 60.34 C ATOM 0 H ILE A 116 10.919 10.028 29.752 1.00 3.21 H new ATOM 0 HA ILE A 116 10.521 10.640 27.076 1.00 24.13 H new ATOM 0 HB ILE A 116 13.128 10.380 28.634 1.00 13.00 H new ATOM 0 HG12 ILE A 116 11.514 12.886 28.093 1.00 73.41 H new ATOM 0 HG13 ILE A 116 11.259 11.907 29.524 1.00 73.41 H new ATOM 0 HG21 ILE A 116 14.030 11.967 26.978 1.00 43.53 H new ATOM 0 HG22 ILE A 116 13.514 10.444 26.216 1.00 43.53 H new ATOM 0 HG23 ILE A 116 12.495 11.897 26.080 1.00 43.53 H new ATOM 0 HD11 ILE A 116 12.756 13.782 29.999 1.00 60.34 H new ATOM 0 HD12 ILE A 116 13.616 12.235 30.183 1.00 60.34 H new ATOM 0 HD13 ILE A 116 13.874 13.229 28.730 1.00 60.34 H new ATOM 1828 N GLN A 117 12.034 7.780 27.602 1.00 11.52 N ATOM 1829 CA GLN A 117 12.496 6.553 26.965 1.00 61.11 C ATOM 1830 C GLN A 117 11.325 5.763 26.390 1.00 40.32 C ATOM 1831 O GLN A 117 11.444 5.133 25.339 1.00 71.34 O ATOM 1832 CB GLN A 117 13.264 5.691 27.968 1.00 63.33 C ATOM 1833 CG GLN A 117 14.717 6.104 28.138 1.00 5.12 C ATOM 1834 CD GLN A 117 15.441 5.275 29.181 1.00 14.53 C ATOM 1835 OE1 GLN A 117 15.751 5.758 30.270 1.00 10.32 O ATOM 1836 NE2 GLN A 117 15.716 4.018 28.851 1.00 63.22 N ATOM 0 H GLN A 117 11.999 7.740 28.621 1.00 11.52 H new ATOM 0 HA GLN A 117 13.162 6.827 26.147 1.00 61.11 H new ATOM 0 HB2 GLN A 117 12.765 5.742 28.936 1.00 63.33 H new ATOM 0 HB3 GLN A 117 13.226 4.651 27.644 1.00 63.33 H new ATOM 0 HG2 GLN A 117 15.232 6.009 27.182 1.00 5.12 H new ATOM 0 HG3 GLN A 117 14.761 7.156 28.421 1.00 5.12 H new ATOM 0 HE21 GLN A 117 15.440 3.659 27.937 1.00 63.22 H new ATOM 0 HE22 GLN A 117 16.203 3.412 29.512 1.00 63.22 H new ATOM 1845 N SER A 118 10.194 5.801 27.086 1.00 3.51 N ATOM 1846 CA SER A 118 9.001 5.085 26.646 1.00 44.32 C ATOM 1847 C SER A 118 8.634 5.468 25.216 1.00 1.33 C ATOM 1848 O SER A 118 8.355 4.604 24.383 1.00 41.04 O ATOM 1849 CB SER A 118 7.828 5.382 27.584 1.00 12.45 C ATOM 1850 OG SER A 118 7.597 4.301 28.470 1.00 20.54 O ATOM 0 H SER A 118 10.078 6.319 27.957 1.00 3.51 H new ATOM 0 HA SER A 118 9.217 4.017 26.673 1.00 44.32 H new ATOM 0 HB2 SER A 118 8.035 6.287 28.156 1.00 12.45 H new ATOM 0 HB3 SER A 118 6.929 5.574 26.998 1.00 12.45 H new ATOM 0 HG SER A 118 8.167 4.399 29.261 1.00 20.54 H new ATOM 1856 N ILE A 119 8.636 6.768 24.939 1.00 21.05 N ATOM 1857 CA ILE A 119 8.305 7.265 23.609 1.00 43.22 C ATOM 1858 C ILE A 119 9.448 7.021 22.630 1.00 1.04 C ATOM 1859 O ILE A 119 9.223 6.832 21.435 1.00 34.00 O ATOM 1860 CB ILE A 119 7.980 8.770 23.637 1.00 63.31 C ATOM 1861 CG1 ILE A 119 7.415 9.216 22.287 1.00 52.14 C ATOM 1862 CG2 ILE A 119 9.223 9.574 23.990 1.00 15.51 C ATOM 1863 CD1 ILE A 119 6.599 10.488 22.364 1.00 22.13 C ATOM 0 H ILE A 119 8.863 7.495 25.617 1.00 21.05 H new ATOM 0 HA ILE A 119 7.423 6.717 23.277 1.00 43.22 H new ATOM 0 HB ILE A 119 7.226 8.950 24.403 1.00 63.31 H new ATOM 0 HG12 ILE A 119 8.239 9.364 21.589 1.00 52.14 H new ATOM 0 HG13 ILE A 119 6.792 8.418 21.881 1.00 52.14 H new ATOM 0 HG21 ILE A 119 8.977 10.636 24.006 1.00 15.51 H new ATOM 0 HG22 ILE A 119 9.586 9.271 24.972 1.00 15.51 H new ATOM 0 HG23 ILE A 119 9.998 9.392 23.245 1.00 15.51 H new ATOM 0 HD11 ILE A 119 6.230 10.744 21.371 1.00 22.13 H new ATOM 0 HD12 ILE A 119 5.755 10.339 23.037 1.00 22.13 H new ATOM 0 HD13 ILE A 119 7.223 11.299 22.740 1.00 22.13 H new ATOM 1875 N GLN A 120 10.672 7.023 23.146 1.00 75.44 N ATOM 1876 CA GLN A 120 11.851 6.800 22.317 1.00 50.33 C ATOM 1877 C GLN A 120 11.812 5.418 21.676 1.00 21.03 C ATOM 1878 O GLN A 120 12.180 5.252 20.513 1.00 43.02 O ATOM 1879 CB GLN A 120 13.124 6.954 23.151 1.00 40.11 C ATOM 1880 CG GLN A 120 14.388 7.072 22.315 1.00 14.22 C ATOM 1881 CD GLN A 120 15.627 6.623 23.064 1.00 70.44 C ATOM 1882 OE1 GLN A 120 16.260 5.630 22.704 1.00 11.44 O ATOM 1883 NE2 GLN A 120 15.982 7.355 24.113 1.00 64.43 N ATOM 0 H GLN A 120 10.874 7.176 24.134 1.00 75.44 H new ATOM 0 HA GLN A 120 11.853 7.548 21.524 1.00 50.33 H new ATOM 0 HB2 GLN A 120 13.031 7.839 23.781 1.00 40.11 H new ATOM 0 HB3 GLN A 120 13.218 6.097 23.817 1.00 40.11 H new ATOM 0 HG2 GLN A 120 14.278 6.474 21.411 1.00 14.22 H new ATOM 0 HG3 GLN A 120 14.515 8.107 21.999 1.00 14.22 H new ATOM 0 HE21 GLN A 120 15.429 8.170 24.377 1.00 64.43 H new ATOM 0 HE22 GLN A 120 16.808 7.102 24.655 1.00 64.43 H new ATOM 1892 N GLN A 121 11.365 4.428 22.442 1.00 31.10 N ATOM 1893 CA GLN A 121 11.279 3.059 21.949 1.00 51.10 C ATOM 1894 C GLN A 121 10.499 3.000 20.639 1.00 61.32 C ATOM 1895 O GLN A 121 10.893 2.307 19.701 1.00 23.41 O ATOM 1896 CB GLN A 121 10.615 2.158 22.992 1.00 30.20 C ATOM 1897 CG GLN A 121 11.585 1.216 23.687 1.00 63.41 C ATOM 1898 CD GLN A 121 11.417 1.213 25.194 1.00 13.12 C ATOM 1899 OE1 GLN A 121 10.665 0.408 25.745 1.00 74.11 O ATOM 1900 NE2 GLN A 121 12.119 2.115 25.870 1.00 55.11 N ATOM 0 H GLN A 121 11.057 4.549 23.407 1.00 31.10 H new ATOM 0 HA GLN A 121 12.292 2.703 21.764 1.00 51.10 H new ATOM 0 HB2 GLN A 121 10.127 2.782 23.741 1.00 30.20 H new ATOM 0 HB3 GLN A 121 9.834 1.571 22.509 1.00 30.20 H new ATOM 0 HG2 GLN A 121 11.439 0.205 23.307 1.00 63.41 H new ATOM 0 HG3 GLN A 121 12.606 1.505 23.440 1.00 63.41 H new ATOM 0 HE21 GLN A 121 12.730 2.763 25.373 1.00 55.11 H new ATOM 0 HE22 GLN A 121 12.047 2.160 26.886 1.00 55.11 H new ATOM 1909 N SER A 122 9.391 3.731 20.583 1.00 22.21 N ATOM 1910 CA SER A 122 8.552 3.758 19.390 1.00 75.33 C ATOM 1911 C SER A 122 9.307 4.368 18.211 1.00 3.51 C ATOM 1912 O SER A 122 9.079 4.000 17.058 1.00 3.23 O ATOM 1913 CB SER A 122 7.273 4.554 19.657 1.00 63.32 C ATOM 1914 OG SER A 122 6.232 3.706 20.112 1.00 62.13 O ATOM 0 H SER A 122 9.053 4.313 21.350 1.00 22.21 H new ATOM 0 HA SER A 122 8.286 2.731 19.139 1.00 75.33 H new ATOM 0 HB2 SER A 122 7.470 5.326 20.401 1.00 63.32 H new ATOM 0 HB3 SER A 122 6.960 5.063 18.745 1.00 63.32 H new ATOM 0 HG SER A 122 5.426 4.238 20.277 1.00 62.13 H new ATOM 1920 N ILE A 123 10.204 5.301 18.510 1.00 33.11 N ATOM 1921 CA ILE A 123 10.992 5.961 17.476 1.00 1.15 C ATOM 1922 C ILE A 123 11.991 4.996 16.847 1.00 14.43 C ATOM 1923 O ILE A 123 12.217 5.023 15.637 1.00 22.53 O ATOM 1924 CB ILE A 123 11.753 7.176 18.037 1.00 62.01 C ATOM 1925 CG1 ILE A 123 10.785 8.133 18.737 1.00 10.13 C ATOM 1926 CG2 ILE A 123 12.502 7.892 16.924 1.00 14.01 C ATOM 1927 CD1 ILE A 123 11.474 9.267 19.462 1.00 24.01 C ATOM 0 H ILE A 123 10.403 5.617 19.459 1.00 33.11 H new ATOM 0 HA ILE A 123 10.291 6.302 16.715 1.00 1.15 H new ATOM 0 HB ILE A 123 12.480 6.824 18.769 1.00 62.01 H new ATOM 0 HG12 ILE A 123 10.100 8.548 17.998 1.00 10.13 H new ATOM 0 HG13 ILE A 123 10.182 7.570 19.450 1.00 10.13 H new ATOM 0 HG21 ILE A 123 13.035 8.749 17.337 1.00 14.01 H new ATOM 0 HG22 ILE A 123 13.216 7.207 16.466 1.00 14.01 H new ATOM 0 HG23 ILE A 123 11.793 8.235 16.170 1.00 14.01 H new ATOM 0 HD11 ILE A 123 10.726 9.904 19.934 1.00 24.01 H new ATOM 0 HD12 ILE A 123 12.138 8.861 20.225 1.00 24.01 H new ATOM 0 HD13 ILE A 123 12.055 9.854 18.751 1.00 24.01 H new ATOM 1939 N GLU A 124 12.584 4.143 17.676 1.00 73.32 N ATOM 1940 CA GLU A 124 13.559 3.168 17.200 1.00 60.13 C ATOM 1941 C GLU A 124 12.933 2.228 16.175 1.00 42.11 C ATOM 1942 O GLU A 124 13.595 1.783 15.238 1.00 74.41 O ATOM 1943 CB GLU A 124 14.122 2.362 18.372 1.00 44.41 C ATOM 1944 CG GLU A 124 15.565 1.929 18.177 1.00 34.11 C ATOM 1945 CD GLU A 124 15.820 0.514 18.659 1.00 73.51 C ATOM 1946 OE1 GLU A 124 15.662 0.262 19.872 1.00 53.33 O ATOM 1947 OE2 GLU A 124 16.178 -0.341 17.823 1.00 74.41 O ATOM 0 H GLU A 124 12.407 4.107 18.680 1.00 73.32 H new ATOM 0 HA GLU A 124 14.372 3.711 16.719 1.00 60.13 H new ATOM 0 HB2 GLU A 124 14.051 2.960 19.280 1.00 44.41 H new ATOM 0 HB3 GLU A 124 13.504 1.477 18.524 1.00 44.41 H new ATOM 0 HG2 GLU A 124 15.822 2.001 17.120 1.00 34.11 H new ATOM 0 HG3 GLU A 124 16.222 2.615 18.712 1.00 34.11 H new ATOM 1954 N ARG A 125 11.651 1.930 16.361 1.00 11.44 N ATOM 1955 CA ARG A 125 10.934 1.041 15.454 1.00 72.02 C ATOM 1956 C ARG A 125 10.986 1.567 14.023 1.00 74.13 C ATOM 1957 O ARG A 125 11.299 0.826 13.090 1.00 14.31 O ATOM 1958 CB ARG A 125 9.478 0.889 15.900 1.00 40.23 C ATOM 1959 CG ARG A 125 9.247 -0.284 16.837 1.00 42.15 C ATOM 1960 CD ARG A 125 9.312 -1.610 16.097 1.00 31.25 C ATOM 1961 NE ARG A 125 9.567 -2.730 17.000 1.00 12.22 N ATOM 1962 CZ ARG A 125 10.015 -3.913 16.595 1.00 42.21 C ATOM 1963 NH1 ARG A 125 10.257 -4.130 15.309 1.00 71.13 N ATOM 1964 NH2 ARG A 125 10.222 -4.882 17.477 1.00 21.33 N ATOM 0 H ARG A 125 11.088 2.291 17.131 1.00 11.44 H new ATOM 0 HA ARG A 125 11.420 0.066 15.482 1.00 72.02 H new ATOM 0 HB2 ARG A 125 9.161 1.807 16.396 1.00 40.23 H new ATOM 0 HB3 ARG A 125 8.848 0.769 15.019 1.00 40.23 H new ATOM 0 HG2 ARG A 125 9.996 -0.271 17.629 1.00 42.15 H new ATOM 0 HG3 ARG A 125 8.274 -0.181 17.317 1.00 42.15 H new ATOM 0 HD2 ARG A 125 8.373 -1.777 15.569 1.00 31.25 H new ATOM 0 HD3 ARG A 125 10.098 -1.566 15.343 1.00 31.25 H new ATOM 0 HE ARG A 125 9.391 -2.596 17.996 1.00 12.22 H new ATOM 0 HH11 ARG A 125 10.099 -3.387 14.628 1.00 71.13 H new ATOM 0 HH12 ARG A 125 10.601 -5.040 15.001 1.00 71.13 H new ATOM 0 HH21 ARG A 125 10.037 -4.719 18.467 1.00 21.33 H new ATOM 0 HH22 ARG A 125 10.566 -5.790 17.165 1.00 21.33 H new ATOM 1978 N LEU A 126 10.679 2.848 13.857 1.00 13.10 N ATOM 1979 CA LEU A 126 10.690 3.474 12.539 1.00 31.42 C ATOM 1980 C LEU A 126 12.120 3.683 12.048 1.00 21.22 C ATOM 1981 O LEU A 126 12.397 3.585 10.853 1.00 34.21 O ATOM 1982 CB LEU A 126 9.953 4.813 12.581 1.00 62.43 C ATOM 1983 CG LEU A 126 8.427 4.738 12.655 1.00 65.44 C ATOM 1984 CD1 LEU A 126 7.825 6.133 12.705 1.00 52.02 C ATOM 1985 CD2 LEU A 126 7.875 3.958 11.471 1.00 23.11 C ATOM 0 H LEU A 126 10.419 3.475 14.619 1.00 13.10 H new ATOM 0 HA LEU A 126 10.179 2.808 11.844 1.00 31.42 H new ATOM 0 HB2 LEU A 126 10.311 5.375 13.443 1.00 62.43 H new ATOM 0 HB3 LEU A 126 10.226 5.383 11.693 1.00 62.43 H new ATOM 0 HG LEU A 126 8.152 4.214 13.570 1.00 65.44 H new ATOM 0 HD11 LEU A 126 6.739 6.059 12.757 1.00 52.02 H new ATOM 0 HD12 LEU A 126 8.196 6.658 13.585 1.00 52.02 H new ATOM 0 HD13 LEU A 126 8.108 6.684 11.808 1.00 52.02 H new ATOM 0 HD21 LEU A 126 6.788 3.914 11.539 1.00 23.11 H new ATOM 0 HD22 LEU A 126 8.161 4.454 10.543 1.00 23.11 H new ATOM 0 HD23 LEU A 126 8.280 2.946 11.481 1.00 23.11 H new ATOM 1997 N LEU A 127 13.023 3.969 12.979 1.00 64.22 N ATOM 1998 CA LEU A 127 14.425 4.189 12.643 1.00 55.12 C ATOM 1999 C LEU A 127 14.984 3.016 11.842 1.00 74.25 C ATOM 2000 O LEU A 127 15.696 3.208 10.855 1.00 43.30 O ATOM 2001 CB LEU A 127 15.250 4.393 13.915 1.00 32.45 C ATOM 2002 CG LEU A 127 15.312 5.822 14.453 1.00 74.22 C ATOM 2003 CD1 LEU A 127 16.105 5.870 15.750 1.00 64.31 C ATOM 2004 CD2 LEU A 127 15.923 6.756 13.418 1.00 24.41 C ATOM 0 H LEU A 127 12.809 4.054 13.973 1.00 64.22 H new ATOM 0 HA LEU A 127 14.489 5.087 12.029 1.00 55.12 H new ATOM 0 HB2 LEU A 127 14.843 3.750 14.695 1.00 32.45 H new ATOM 0 HB3 LEU A 127 16.268 4.054 13.722 1.00 32.45 H new ATOM 0 HG LEU A 127 14.295 6.156 14.660 1.00 74.22 H new ATOM 0 HD11 LEU A 127 16.139 6.895 16.118 1.00 64.31 H new ATOM 0 HD12 LEU A 127 15.626 5.233 16.493 1.00 64.31 H new ATOM 0 HD13 LEU A 127 17.120 5.516 15.569 1.00 64.31 H new ATOM 0 HD21 LEU A 127 15.959 7.769 13.818 1.00 24.41 H new ATOM 0 HD22 LEU A 127 16.933 6.424 13.180 1.00 24.41 H new ATOM 0 HD23 LEU A 127 15.315 6.745 12.514 1.00 24.41 H new ATOM 2016 N VAL A 128 14.655 1.803 12.272 1.00 71.23 N ATOM 2017 CA VAL A 128 15.121 0.599 11.595 1.00 52.20 C ATOM 2018 C VAL A 128 14.427 -0.643 12.142 1.00 10.23 C ATOM 2019 O VAL A 128 13.517 -1.185 11.516 1.00 12.31 O ATOM 2020 CB VAL A 128 16.645 0.428 11.738 1.00 44.42 C ATOM 2021 CG1 VAL A 128 17.025 0.230 13.198 1.00 52.14 C ATOM 2022 CG2 VAL A 128 17.132 -0.737 10.890 1.00 51.44 C ATOM 0 H VAL A 128 14.067 1.628 13.087 1.00 71.23 H new ATOM 0 HA VAL A 128 14.874 0.714 10.540 1.00 52.20 H new ATOM 0 HB VAL A 128 17.130 1.336 11.380 1.00 44.42 H new ATOM 0 HG11 VAL A 128 18.105 0.111 13.280 1.00 52.14 H new ATOM 0 HG12 VAL A 128 16.711 1.099 13.777 1.00 52.14 H new ATOM 0 HG13 VAL A 128 16.531 -0.662 13.585 1.00 52.14 H new ATOM 0 HG21 VAL A 128 18.211 -0.843 11.003 1.00 51.44 H new ATOM 0 HG22 VAL A 128 16.641 -1.654 11.215 1.00 51.44 H new ATOM 0 HG23 VAL A 128 16.894 -0.550 9.843 1.00 51.44 H new TER 2032 VAL A 128