USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 728 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 11 SER OG : rot 180:sc= 0.0356 USER MOD Set 1.2: A 12 ASN : amide:sc= -3.24 X(o=-3.2,f=-2.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0103 K(o=-0.01,f=-2.7!) USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= -1.47 (180deg=-1.9) USER MOD Single : A 6 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.9!) USER MOD Single : A 7 ASN : amide:sc= -0.0274 X(o=-0.027,f=-0.24) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.674 K(o=-0.67,f=-2.9!) USER MOD Single : A 17 LYS NZ :NH3+ 154:sc= -0.0541 (180deg=-0.299) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.861 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.0437 X(o=0.044,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.88 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.141 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.94 K(o=-1.9,f=-6.9!) USER MOD Single : A 69 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 71 SER OG : rot 72:sc= -0.162 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 50:sc= 0.199 USER MOD Single : A 75 SER OG : rot 41:sc= 0.663 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 122:sc= -3.23! USER MOD Single : A 83 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.072) USER MOD Single : A 85 MET CE :methyl 155:sc= -4.64! (180deg=-7.14!) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.1 (180deg=-0.409) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -43:sc= 0.715 USER MOD Single : A 91 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.6) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -7.22! C(o=-7.2!,f=-7.7!) USER MOD Single : A 101 TYR OH : rot 145:sc= -1.66! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.462 0.219 0.730 1.00 0.12 N ATOM 2 CA GLY A 1 2.067 0.144 -0.587 1.00 3.33 C ATOM 3 C GLY A 1 2.910 -1.103 -0.768 1.00 13.24 C ATOM 4 O GLY A 1 2.465 -2.209 -0.467 1.00 34.53 O ATOM 0 H1 GLY A 1 0.897 1.089 0.803 1.00 0.12 H new ATOM 0 H2 GLY A 1 0.847 -0.607 0.877 1.00 0.12 H new ATOM 0 H3 GLY A 1 2.208 0.229 1.455 1.00 0.12 H new ATOM 0 HA2 GLY A 1 1.284 0.162 -1.345 1.00 3.33 H new ATOM 0 HA3 GLY A 1 2.688 1.025 -0.749 1.00 3.33 H new ATOM 8 N ASN A 2 4.130 -0.924 -1.262 1.00 42.14 N ATOM 9 CA ASN A 2 5.036 -2.045 -1.485 1.00 44.34 C ATOM 10 C ASN A 2 6.110 -2.100 -0.403 1.00 2.20 C ATOM 11 O ASN A 2 6.087 -1.321 0.550 1.00 33.02 O ATOM 12 CB ASN A 2 5.691 -1.932 -2.864 1.00 1.23 C ATOM 13 CG ASN A 2 4.714 -2.203 -3.992 1.00 3.24 C ATOM 14 OD1 ASN A 2 3.499 -2.178 -3.795 1.00 3.50 O ATOM 15 ND2 ASN A 2 5.243 -2.464 -5.182 1.00 33.45 N ATOM 0 H ASN A 2 4.514 -0.014 -1.516 1.00 42.14 H new ATOM 0 HA ASN A 2 4.453 -2.965 -1.441 1.00 44.34 H new ATOM 0 HB2 ASN A 2 6.111 -0.933 -2.983 1.00 1.23 H new ATOM 0 HB3 ASN A 2 6.520 -2.636 -2.928 1.00 1.23 H new ATOM 0 HD21 ASN A 2 4.636 -2.654 -5.979 1.00 33.45 H new ATOM 0 HD22 ASN A 2 6.256 -2.474 -5.299 1.00 33.45 H new ATOM 22 N VAL A 3 7.052 -3.025 -0.557 1.00 74.44 N ATOM 23 CA VAL A 3 8.135 -3.182 0.405 1.00 5.41 C ATOM 24 C VAL A 3 9.490 -2.921 -0.245 1.00 14.11 C ATOM 25 O VAL A 3 9.968 -3.720 -1.051 1.00 31.20 O ATOM 26 CB VAL A 3 8.138 -4.592 1.023 1.00 22.34 C ATOM 27 CG1 VAL A 3 7.098 -4.693 2.129 1.00 61.14 C ATOM 28 CG2 VAL A 3 7.893 -5.644 -0.048 1.00 51.34 C ATOM 0 H VAL A 3 7.086 -3.678 -1.340 1.00 74.44 H new ATOM 0 HA VAL A 3 7.966 -2.449 1.193 1.00 5.41 H new ATOM 0 HB VAL A 3 9.119 -4.775 1.462 1.00 22.34 H new ATOM 0 HG11 VAL A 3 7.115 -5.697 2.554 1.00 61.14 H new ATOM 0 HG12 VAL A 3 7.324 -3.965 2.908 1.00 61.14 H new ATOM 0 HG13 VAL A 3 6.109 -4.490 1.718 1.00 61.14 H new ATOM 0 HG21 VAL A 3 7.898 -6.635 0.407 1.00 51.34 H new ATOM 0 HG22 VAL A 3 6.926 -5.466 -0.518 1.00 51.34 H new ATOM 0 HG23 VAL A 3 8.679 -5.586 -0.801 1.00 51.34 H new ATOM 38 N LEU A 4 10.104 -1.798 0.111 1.00 52.04 N ATOM 39 CA LEU A 4 11.405 -1.431 -0.438 1.00 11.03 C ATOM 40 C LEU A 4 12.363 -1.007 0.671 1.00 40.01 C ATOM 41 O LEU A 4 11.944 -0.475 1.699 1.00 51.51 O ATOM 42 CB LEU A 4 11.251 -0.299 -1.455 1.00 12.12 C ATOM 43 CG LEU A 4 10.240 0.791 -1.098 1.00 1.55 C ATOM 44 CD1 LEU A 4 10.723 2.148 -1.587 1.00 30.01 C ATOM 45 CD2 LEU A 4 8.874 0.466 -1.685 1.00 24.25 C ATOM 0 H LEU A 4 9.722 -1.126 0.777 1.00 52.04 H new ATOM 0 HA LEU A 4 11.821 -2.306 -0.938 1.00 11.03 H new ATOM 0 HB2 LEU A 4 12.225 0.169 -1.598 1.00 12.12 H new ATOM 0 HB3 LEU A 4 10.963 -0.734 -2.412 1.00 12.12 H new ATOM 0 HG LEU A 4 10.146 0.831 -0.013 1.00 1.55 H new ATOM 0 HD11 LEU A 4 9.991 2.911 -1.324 1.00 30.01 H new ATOM 0 HD12 LEU A 4 11.678 2.385 -1.118 1.00 30.01 H new ATOM 0 HD13 LEU A 4 10.847 2.122 -2.670 1.00 30.01 H new ATOM 0 HD21 LEU A 4 8.168 1.253 -1.420 1.00 24.25 H new ATOM 0 HD22 LEU A 4 8.951 0.397 -2.770 1.00 24.25 H new ATOM 0 HD23 LEU A 4 8.523 -0.486 -1.285 1.00 24.25 H new ATOM 57 N LYS A 5 13.652 -1.245 0.454 1.00 2.45 N ATOM 58 CA LYS A 5 14.672 -0.885 1.433 1.00 52.33 C ATOM 59 C LYS A 5 16.056 -0.863 0.793 1.00 63.42 C ATOM 60 O LYS A 5 16.649 0.199 0.609 1.00 72.11 O ATOM 61 CB LYS A 5 14.655 -1.870 2.604 1.00 53.13 C ATOM 62 CG LYS A 5 15.465 -1.405 3.802 1.00 53.05 C ATOM 63 CD LYS A 5 14.755 -0.295 4.558 1.00 14.10 C ATOM 64 CE LYS A 5 15.506 0.085 5.825 1.00 54.01 C ATOM 65 NZ LYS A 5 15.967 -1.115 6.577 1.00 14.43 N ATOM 0 H LYS A 5 14.016 -1.686 -0.391 1.00 2.45 H new ATOM 0 HA LYS A 5 14.447 0.115 1.804 1.00 52.33 H new ATOM 0 HB2 LYS A 5 13.623 -2.034 2.915 1.00 53.13 H new ATOM 0 HB3 LYS A 5 15.042 -2.831 2.265 1.00 53.13 H new ATOM 0 HG2 LYS A 5 15.642 -2.247 4.471 1.00 53.05 H new ATOM 0 HG3 LYS A 5 16.441 -1.053 3.468 1.00 53.05 H new ATOM 0 HD2 LYS A 5 14.658 0.580 3.915 1.00 14.10 H new ATOM 0 HD3 LYS A 5 13.745 -0.616 4.815 1.00 14.10 H new ATOM 0 HE2 LYS A 5 16.365 0.704 5.566 1.00 54.01 H new ATOM 0 HE3 LYS A 5 14.860 0.688 6.463 1.00 54.01 H new ATOM 0 HZ1 LYS A 5 16.384 -0.818 7.482 1.00 14.43 H new ATOM 0 HZ2 LYS A 5 15.158 -1.743 6.758 1.00 14.43 H new ATOM 0 HZ3 LYS A 5 16.681 -1.623 6.017 1.00 14.43 H new ATOM 79 N ASN A 6 16.565 -2.044 0.455 1.00 42.35 N ATOM 80 CA ASN A 6 17.880 -2.160 -0.166 1.00 11.40 C ATOM 81 C ASN A 6 17.849 -1.652 -1.605 1.00 21.35 C ATOM 82 O ASN A 6 16.801 -1.644 -2.248 1.00 14.51 O ATOM 83 CB ASN A 6 18.354 -3.614 -0.136 1.00 44.13 C ATOM 84 CG ASN A 6 18.969 -4.048 -1.453 1.00 22.42 C ATOM 85 OD1 ASN A 6 18.264 -4.268 -2.438 1.00 12.24 O ATOM 86 ND2 ASN A 6 20.291 -4.175 -1.475 1.00 71.10 N ATOM 0 H ASN A 6 16.087 -2.933 0.601 1.00 42.35 H new ATOM 0 HA ASN A 6 18.578 -1.545 0.402 1.00 11.40 H new ATOM 0 HB2 ASN A 6 19.086 -3.739 0.662 1.00 44.13 H new ATOM 0 HB3 ASN A 6 17.511 -4.264 0.100 1.00 44.13 H new ATOM 0 HD21 ASN A 6 20.761 -4.465 -2.332 1.00 71.10 H new ATOM 0 HD22 ASN A 6 20.836 -3.982 -0.635 1.00 71.10 H new ATOM 93 N ASN A 7 19.007 -1.231 -2.102 1.00 41.15 N ATOM 94 CA ASN A 7 19.113 -0.722 -3.465 1.00 42.11 C ATOM 95 C ASN A 7 18.852 0.781 -3.506 1.00 74.45 C ATOM 96 O ASN A 7 19.753 1.572 -3.783 1.00 44.33 O ATOM 97 CB ASN A 7 18.126 -1.448 -4.381 1.00 63.22 C ATOM 98 CG ASN A 7 18.616 -1.523 -5.815 1.00 14.03 C ATOM 99 OD1 ASN A 7 19.753 -1.915 -6.074 1.00 44.03 O ATOM 100 ND2 ASN A 7 17.756 -1.146 -6.754 1.00 14.34 N ATOM 0 H ASN A 7 19.885 -1.232 -1.582 1.00 41.15 H new ATOM 0 HA ASN A 7 20.128 -0.906 -3.817 1.00 42.11 H new ATOM 0 HB2 ASN A 7 17.959 -2.457 -4.004 1.00 63.22 H new ATOM 0 HB3 ASN A 7 17.165 -0.935 -4.355 1.00 63.22 H new ATOM 0 HD21 ASN A 7 18.029 -1.175 -7.736 1.00 14.34 H new ATOM 0 HD22 ASN A 7 16.823 -0.828 -6.493 1.00 14.34 H new ATOM 107 N THR A 8 17.610 1.168 -3.229 1.00 24.44 N ATOM 108 CA THR A 8 17.229 2.574 -3.234 1.00 40.24 C ATOM 109 C THR A 8 16.617 2.983 -1.900 1.00 15.32 C ATOM 110 O THR A 8 15.606 2.436 -1.459 1.00 75.25 O ATOM 111 CB THR A 8 16.225 2.879 -4.362 1.00 42.51 C ATOM 112 OG1 THR A 8 16.705 2.348 -5.602 1.00 41.23 O ATOM 113 CG2 THR A 8 16.004 4.378 -4.498 1.00 52.35 C ATOM 0 H THR A 8 16.851 0.526 -2.998 1.00 24.44 H new ATOM 0 HA THR A 8 18.140 3.148 -3.403 1.00 40.24 H new ATOM 0 HB THR A 8 15.275 2.409 -4.110 1.00 42.51 H new ATOM 0 HG1 THR A 8 16.060 2.545 -6.313 1.00 41.23 H new ATOM 0 HG21 THR A 8 15.292 4.569 -5.300 1.00 52.35 H new ATOM 0 HG22 THR A 8 15.611 4.774 -3.562 1.00 52.35 H new ATOM 0 HG23 THR A 8 16.951 4.866 -4.729 1.00 52.35 H new ATOM 121 N PRO A 9 17.241 3.969 -1.239 1.00 12.52 N ATOM 122 CA PRO A 9 16.773 4.475 0.055 1.00 21.24 C ATOM 123 C PRO A 9 15.465 5.249 -0.063 1.00 40.42 C ATOM 124 O PRO A 9 15.154 5.804 -1.117 1.00 54.12 O ATOM 125 CB PRO A 9 17.905 5.402 0.504 1.00 1.31 C ATOM 126 CG PRO A 9 18.566 5.832 -0.760 1.00 2.11 C ATOM 127 CD PRO A 9 18.451 4.668 -1.704 1.00 71.42 C ATOM 0 HA PRO A 9 16.562 3.667 0.756 1.00 21.24 H new ATOM 0 HB2 PRO A 9 17.520 6.257 1.060 1.00 1.31 H new ATOM 0 HB3 PRO A 9 18.604 4.884 1.160 1.00 1.31 H new ATOM 0 HG2 PRO A 9 18.082 6.718 -1.172 1.00 2.11 H new ATOM 0 HG3 PRO A 9 19.610 6.091 -0.586 1.00 2.11 H new ATOM 0 HD2 PRO A 9 18.352 4.998 -2.738 1.00 71.42 H new ATOM 0 HD3 PRO A 9 19.330 4.025 -1.657 1.00 71.42 H new ATOM 135 N VAL A 10 14.702 5.284 1.025 1.00 43.00 N ATOM 136 CA VAL A 10 13.428 5.992 1.043 1.00 1.42 C ATOM 137 C VAL A 10 13.619 7.458 1.417 1.00 24.01 C ATOM 138 O VAL A 10 14.007 7.777 2.541 1.00 43.11 O ATOM 139 CB VAL A 10 12.441 5.346 2.033 1.00 12.21 C ATOM 140 CG1 VAL A 10 11.074 6.007 1.933 1.00 44.02 C ATOM 141 CG2 VAL A 10 12.338 3.849 1.782 1.00 51.44 C ATOM 0 H VAL A 10 14.944 4.830 1.906 1.00 43.00 H new ATOM 0 HA VAL A 10 13.016 5.927 0.036 1.00 1.42 H new ATOM 0 HB VAL A 10 12.818 5.497 3.045 1.00 12.21 H new ATOM 0 HG11 VAL A 10 10.390 5.537 2.640 1.00 44.02 H new ATOM 0 HG12 VAL A 10 11.165 7.068 2.166 1.00 44.02 H new ATOM 0 HG13 VAL A 10 10.686 5.890 0.921 1.00 44.02 H new ATOM 0 HG21 VAL A 10 11.636 3.409 2.490 1.00 51.44 H new ATOM 0 HG22 VAL A 10 11.985 3.674 0.766 1.00 51.44 H new ATOM 0 HG23 VAL A 10 13.319 3.390 1.910 1.00 51.44 H new ATOM 151 N SER A 11 13.344 8.346 0.467 1.00 1.23 N ATOM 152 CA SER A 11 13.489 9.779 0.696 1.00 50.15 C ATOM 153 C SER A 11 12.183 10.383 1.202 1.00 53.44 C ATOM 154 O SER A 11 11.161 9.702 1.282 1.00 4.42 O ATOM 155 CB SER A 11 13.923 10.481 -0.593 1.00 24.23 C ATOM 156 OG SER A 11 13.298 9.901 -1.725 1.00 4.22 O ATOM 0 H SER A 11 13.020 8.099 -0.468 1.00 1.23 H new ATOM 0 HA SER A 11 14.255 9.925 1.457 1.00 50.15 H new ATOM 0 HB2 SER A 11 13.670 11.540 -0.537 1.00 24.23 H new ATOM 0 HB3 SER A 11 15.006 10.417 -0.699 1.00 24.23 H new ATOM 0 HG SER A 11 13.590 10.368 -2.535 1.00 4.22 H new ATOM 162 N ASN A 12 12.225 11.668 1.541 1.00 33.45 N ATOM 163 CA ASN A 12 11.045 12.365 2.041 1.00 42.14 C ATOM 164 C ASN A 12 10.255 11.480 2.999 1.00 32.24 C ATOM 165 O ASN A 12 9.037 11.341 2.873 1.00 4.12 O ATOM 166 CB ASN A 12 10.153 12.799 0.876 1.00 34.20 C ATOM 167 CG ASN A 12 9.665 11.623 0.052 1.00 62.30 C ATOM 168 OD1 ASN A 12 8.621 11.038 0.341 1.00 1.03 O ATOM 169 ND2 ASN A 12 10.422 11.270 -0.981 1.00 54.41 N ATOM 0 H ASN A 12 13.062 12.247 1.479 1.00 33.45 H new ATOM 0 HA ASN A 12 11.379 13.249 2.584 1.00 42.14 H new ATOM 0 HB2 ASN A 12 9.295 13.348 1.264 1.00 34.20 H new ATOM 0 HB3 ASN A 12 10.706 13.484 0.234 1.00 34.20 H new ATOM 0 HD21 ASN A 12 10.145 10.486 -1.571 1.00 54.41 H new ATOM 0 HD22 ASN A 12 11.280 11.783 -1.184 1.00 54.41 H new ATOM 176 N LEU A 13 10.955 10.883 3.958 1.00 13.40 N ATOM 177 CA LEU A 13 10.319 10.012 4.940 1.00 61.51 C ATOM 178 C LEU A 13 9.219 10.752 5.694 1.00 21.40 C ATOM 179 O LEU A 13 8.922 11.911 5.402 1.00 72.51 O ATOM 180 CB LEU A 13 11.359 9.478 5.926 1.00 23.23 C ATOM 181 CG LEU A 13 11.826 8.040 5.697 1.00 31.21 C ATOM 182 CD1 LEU A 13 13.050 7.734 6.546 1.00 42.31 C ATOM 183 CD2 LEU A 13 10.703 7.059 6.004 1.00 4.55 C ATOM 0 H LEU A 13 11.963 10.986 4.076 1.00 13.40 H new ATOM 0 HA LEU A 13 9.868 9.174 4.408 1.00 61.51 H new ATOM 0 HB2 LEU A 13 12.231 10.131 5.893 1.00 23.23 H new ATOM 0 HB3 LEU A 13 10.946 9.549 6.932 1.00 23.23 H new ATOM 0 HG LEU A 13 12.101 7.931 4.648 1.00 31.21 H new ATOM 0 HD11 LEU A 13 13.368 6.706 6.369 1.00 42.31 H new ATOM 0 HD12 LEU A 13 13.858 8.415 6.278 1.00 42.31 H new ATOM 0 HD13 LEU A 13 12.803 7.861 7.600 1.00 42.31 H new ATOM 0 HD21 LEU A 13 11.053 6.041 5.836 1.00 4.55 H new ATOM 0 HD22 LEU A 13 10.397 7.170 7.044 1.00 4.55 H new ATOM 0 HD23 LEU A 13 9.853 7.263 5.352 1.00 4.55 H new ATOM 195 N THR A 14 8.618 10.075 6.668 1.00 2.32 N ATOM 196 CA THR A 14 7.552 10.668 7.465 1.00 0.35 C ATOM 197 C THR A 14 7.625 10.202 8.915 1.00 40.11 C ATOM 198 O THR A 14 7.894 9.033 9.188 1.00 11.25 O ATOM 199 CB THR A 14 6.164 10.320 6.895 1.00 1.13 C ATOM 200 OG1 THR A 14 6.120 8.938 6.522 1.00 44.41 O ATOM 201 CG2 THR A 14 5.842 11.187 5.688 1.00 51.52 C ATOM 0 H THR A 14 8.852 9.116 6.923 1.00 2.32 H new ATOM 0 HA THR A 14 7.692 11.748 7.426 1.00 0.35 H new ATOM 0 HB THR A 14 5.420 10.511 7.668 1.00 1.13 H new ATOM 0 HG1 THR A 14 5.234 8.724 6.162 1.00 44.41 H new ATOM 0 HG21 THR A 14 4.857 10.923 5.303 1.00 51.52 H new ATOM 0 HG22 THR A 14 5.847 12.237 5.982 1.00 51.52 H new ATOM 0 HG23 THR A 14 6.591 11.024 4.913 1.00 51.52 H new ATOM 209 N GLY A 15 7.383 11.124 9.842 1.00 51.54 N ATOM 210 CA GLY A 15 7.426 10.788 11.253 1.00 74.45 C ATOM 211 C GLY A 15 6.289 11.417 12.034 1.00 44.44 C ATOM 212 O GLY A 15 6.516 12.257 12.904 1.00 42.04 O ATOM 0 H GLY A 15 7.158 12.098 9.641 1.00 51.54 H new ATOM 0 HA2 GLY A 15 7.385 9.705 11.367 1.00 74.45 H new ATOM 0 HA3 GLY A 15 8.377 11.117 11.673 1.00 74.45 H new ATOM 216 N ASN A 16 5.063 11.012 11.721 1.00 13.23 N ATOM 217 CA ASN A 16 3.886 11.545 12.399 1.00 22.51 C ATOM 218 C ASN A 16 3.769 10.978 13.811 1.00 1.40 C ATOM 219 O ASN A 16 4.358 9.945 14.129 1.00 44.04 O ATOM 220 CB ASN A 16 2.622 11.220 11.601 1.00 13.21 C ATOM 221 CG ASN A 16 1.373 11.805 12.233 1.00 44.54 C ATOM 222 OD1 ASN A 16 0.702 11.150 13.030 1.00 51.23 O ATOM 223 ND2 ASN A 16 1.057 13.045 11.878 1.00 52.40 N ATOM 0 H ASN A 16 4.858 10.317 11.003 1.00 13.23 H new ATOM 0 HA ASN A 16 3.996 12.627 12.469 1.00 22.51 H new ATOM 0 HB2 ASN A 16 2.727 11.605 10.587 1.00 13.21 H new ATOM 0 HB3 ASN A 16 2.513 10.138 11.522 1.00 13.21 H new ATOM 0 HD21 ASN A 16 0.228 13.492 12.270 1.00 52.40 H new ATOM 0 HD22 ASN A 16 1.643 13.550 11.213 1.00 52.40 H new ATOM 230 N LYS A 17 3.004 11.662 14.655 1.00 11.01 N ATOM 231 CA LYS A 17 2.807 11.228 16.033 1.00 74.00 C ATOM 232 C LYS A 17 2.526 9.730 16.097 1.00 53.14 C ATOM 233 O LYS A 17 3.311 8.964 16.654 1.00 42.53 O ATOM 234 CB LYS A 17 1.652 12.002 16.673 1.00 73.12 C ATOM 235 CG LYS A 17 1.671 13.489 16.363 1.00 34.32 C ATOM 236 CD LYS A 17 3.035 14.098 16.637 1.00 3.11 C ATOM 237 CE LYS A 17 2.932 15.307 17.555 1.00 71.23 C ATOM 238 NZ LYS A 17 2.390 14.942 18.893 1.00 10.40 N ATOM 0 H LYS A 17 2.510 12.520 14.409 1.00 11.01 H new ATOM 0 HA LYS A 17 3.724 11.432 16.586 1.00 74.00 H new ATOM 0 HB2 LYS A 17 0.708 11.580 16.329 1.00 73.12 H new ATOM 0 HB3 LYS A 17 1.688 11.864 17.754 1.00 73.12 H new ATOM 0 HG2 LYS A 17 1.404 13.647 15.318 1.00 34.32 H new ATOM 0 HG3 LYS A 17 0.917 13.997 16.965 1.00 34.32 H new ATOM 0 HD2 LYS A 17 3.684 13.349 17.091 1.00 3.11 H new ATOM 0 HD3 LYS A 17 3.499 14.393 15.696 1.00 3.11 H new ATOM 0 HE2 LYS A 17 3.917 15.759 17.673 1.00 71.23 H new ATOM 0 HE3 LYS A 17 2.290 16.058 17.096 1.00 71.23 H new ATOM 0 HZ1 LYS A 17 2.727 15.624 19.602 1.00 10.40 H new ATOM 0 HZ2 LYS A 17 1.351 14.959 18.863 1.00 10.40 H new ATOM 0 HZ3 LYS A 17 2.713 13.988 19.150 1.00 10.40 H new ATOM 252 N GLY A 18 1.400 9.318 15.521 1.00 41.43 N ATOM 253 CA GLY A 18 1.037 7.913 15.522 1.00 12.43 C ATOM 254 C GLY A 18 1.386 7.223 14.219 1.00 73.12 C ATOM 255 O GLY A 18 1.981 6.145 14.219 1.00 14.22 O ATOM 0 H GLY A 18 0.733 9.932 15.054 1.00 41.43 H new ATOM 0 HA2 GLY A 18 1.547 7.410 16.344 1.00 12.43 H new ATOM 0 HA3 GLY A 18 -0.033 7.818 15.705 1.00 12.43 H new ATOM 259 N SER A 19 1.013 7.844 13.104 1.00 65.41 N ATOM 260 CA SER A 19 1.286 7.279 11.787 1.00 11.03 C ATOM 261 C SER A 19 2.749 6.864 11.666 1.00 20.13 C ATOM 262 O SER A 19 3.608 7.360 12.395 1.00 34.42 O ATOM 263 CB SER A 19 0.939 8.291 10.693 1.00 31.15 C ATOM 264 OG SER A 19 0.226 7.674 9.635 1.00 22.24 O ATOM 0 H SER A 19 0.521 8.738 13.086 1.00 65.41 H new ATOM 0 HA SER A 19 0.664 6.393 11.663 1.00 11.03 H new ATOM 0 HB2 SER A 19 0.341 9.098 11.116 1.00 31.15 H new ATOM 0 HB3 SER A 19 1.853 8.741 10.306 1.00 31.15 H new ATOM 0 HG SER A 19 0.015 8.342 8.950 1.00 22.24 H new ATOM 270 N GLU A 20 3.024 5.951 10.740 1.00 30.21 N ATOM 271 CA GLU A 20 4.383 5.468 10.524 1.00 52.10 C ATOM 272 C GLU A 20 4.494 4.733 9.191 1.00 13.41 C ATOM 273 O GLU A 20 3.518 4.621 8.448 1.00 23.14 O ATOM 274 CB GLU A 20 4.807 4.542 11.666 1.00 15.10 C ATOM 275 CG GLU A 20 3.638 3.903 12.397 1.00 13.53 C ATOM 276 CD GLU A 20 2.762 3.070 11.482 1.00 22.31 C ATOM 277 OE1 GLU A 20 3.317 2.283 10.686 1.00 50.41 O ATOM 278 OE2 GLU A 20 1.523 3.203 11.561 1.00 3.45 O ATOM 0 H GLU A 20 2.324 5.531 10.128 1.00 30.21 H new ATOM 0 HA GLU A 20 5.048 6.331 10.500 1.00 52.10 H new ATOM 0 HB2 GLU A 20 5.448 3.756 11.266 1.00 15.10 H new ATOM 0 HB3 GLU A 20 5.405 5.109 12.380 1.00 15.10 H new ATOM 0 HG2 GLU A 20 4.018 3.274 13.202 1.00 13.53 H new ATOM 0 HG3 GLU A 20 3.034 4.683 12.861 1.00 13.53 H new ATOM 285 N VAL A 21 5.690 4.235 8.894 1.00 12.23 N ATOM 286 CA VAL A 21 5.930 3.511 7.652 1.00 75.21 C ATOM 287 C VAL A 21 6.707 2.224 7.907 1.00 13.30 C ATOM 288 O VAL A 21 7.551 2.163 8.801 1.00 40.20 O ATOM 289 CB VAL A 21 6.705 4.374 6.640 1.00 44.24 C ATOM 290 CG1 VAL A 21 5.813 4.757 5.469 1.00 14.11 C ATOM 291 CG2 VAL A 21 7.269 5.613 7.318 1.00 2.35 C ATOM 0 H VAL A 21 6.508 4.320 9.497 1.00 12.23 H new ATOM 0 HA VAL A 21 4.953 3.265 7.235 1.00 75.21 H new ATOM 0 HB VAL A 21 7.539 3.788 6.254 1.00 44.24 H new ATOM 0 HG11 VAL A 21 6.379 5.367 4.765 1.00 14.11 H new ATOM 0 HG12 VAL A 21 5.463 3.855 4.968 1.00 14.11 H new ATOM 0 HG13 VAL A 21 4.957 5.325 5.834 1.00 14.11 H new ATOM 0 HG21 VAL A 21 7.814 6.211 6.588 1.00 2.35 H new ATOM 0 HG22 VAL A 21 6.453 6.203 7.734 1.00 2.35 H new ATOM 0 HG23 VAL A 21 7.945 5.314 8.119 1.00 2.35 H new ATOM 301 N PHE A 22 6.416 1.197 7.115 1.00 4.32 N ATOM 302 CA PHE A 22 7.088 -0.090 7.255 1.00 13.42 C ATOM 303 C PHE A 22 7.448 -0.667 5.889 1.00 13.32 C ATOM 304 O PHE A 22 6.719 -0.484 4.914 1.00 13.51 O ATOM 305 CB PHE A 22 6.198 -1.073 8.018 1.00 13.22 C ATOM 306 CG PHE A 22 4.780 -1.106 7.523 1.00 31.25 C ATOM 307 CD1 PHE A 22 3.840 -0.214 8.013 1.00 11.04 C ATOM 308 CD2 PHE A 22 4.387 -2.030 6.569 1.00 60.33 C ATOM 309 CE1 PHE A 22 2.534 -0.242 7.560 1.00 45.20 C ATOM 310 CE2 PHE A 22 3.083 -2.063 6.111 1.00 3.42 C ATOM 311 CZ PHE A 22 2.156 -1.168 6.608 1.00 34.13 C ATOM 0 H PHE A 22 5.720 1.231 6.370 1.00 4.32 H new ATOM 0 HA PHE A 22 8.008 0.068 7.817 1.00 13.42 H new ATOM 0 HB2 PHE A 22 6.625 -2.073 7.940 1.00 13.22 H new ATOM 0 HB3 PHE A 22 6.199 -0.807 9.075 1.00 13.22 H new ATOM 0 HD1 PHE A 22 4.131 0.512 8.758 1.00 11.04 H new ATOM 0 HD2 PHE A 22 5.108 -2.733 6.178 1.00 60.33 H new ATOM 0 HE1 PHE A 22 1.811 0.459 7.950 1.00 45.20 H new ATOM 0 HE2 PHE A 22 2.790 -2.788 5.366 1.00 3.42 H new ATOM 0 HZ PHE A 22 1.137 -1.192 6.252 1.00 34.13 H new ATOM 321 N TYR A 23 8.577 -1.364 5.827 1.00 13.33 N ATOM 322 CA TYR A 23 9.036 -1.965 4.581 1.00 21.41 C ATOM 323 C TYR A 23 9.732 -3.298 4.843 1.00 14.33 C ATOM 324 O TYR A 23 10.079 -3.618 5.981 1.00 72.13 O ATOM 325 CB TYR A 23 9.988 -1.015 3.852 1.00 33.40 C ATOM 326 CG TYR A 23 9.565 0.435 3.919 1.00 32.31 C ATOM 327 CD1 TYR A 23 8.533 0.916 3.123 1.00 70.43 C ATOM 328 CD2 TYR A 23 10.197 1.324 4.780 1.00 73.20 C ATOM 329 CE1 TYR A 23 8.144 2.240 3.180 1.00 30.12 C ATOM 330 CE2 TYR A 23 9.813 2.649 4.845 1.00 3.43 C ATOM 331 CZ TYR A 23 8.787 3.103 4.043 1.00 31.31 C ATOM 332 OH TYR A 23 8.401 4.422 4.104 1.00 3.35 O ATOM 0 H TYR A 23 9.191 -1.527 6.625 1.00 13.33 H new ATOM 0 HA TYR A 23 8.164 -2.148 3.953 1.00 21.41 H new ATOM 0 HB2 TYR A 23 10.985 -1.114 4.280 1.00 33.40 H new ATOM 0 HB3 TYR A 23 10.059 -1.316 2.807 1.00 33.40 H new ATOM 0 HD1 TYR A 23 8.026 0.243 2.448 1.00 70.43 H new ATOM 0 HD2 TYR A 23 11.002 0.973 5.409 1.00 73.20 H new ATOM 0 HE1 TYR A 23 7.341 2.598 2.553 1.00 30.12 H new ATOM 0 HE2 TYR A 23 10.314 3.326 5.521 1.00 3.43 H new ATOM 0 HH TYR A 23 8.953 4.894 4.762 1.00 3.35 H new ATOM 342 N THR A 24 9.933 -4.072 3.781 1.00 1.24 N ATOM 343 CA THR A 24 10.586 -5.370 3.895 1.00 43.34 C ATOM 344 C THR A 24 11.523 -5.618 2.718 1.00 4.02 C ATOM 345 O THR A 24 11.204 -5.286 1.576 1.00 4.44 O ATOM 346 CB THR A 24 9.556 -6.513 3.966 1.00 42.32 C ATOM 347 OG1 THR A 24 8.515 -6.177 4.889 1.00 13.22 O ATOM 348 CG2 THR A 24 10.220 -7.813 4.393 1.00 33.21 C ATOM 0 H THR A 24 9.653 -3.822 2.832 1.00 1.24 H new ATOM 0 HA THR A 24 11.163 -5.354 4.819 1.00 43.34 H new ATOM 0 HB THR A 24 9.129 -6.651 2.973 1.00 42.32 H new ATOM 0 HG1 THR A 24 7.863 -6.908 4.928 1.00 13.22 H new ATOM 0 HG21 THR A 24 9.473 -8.606 4.436 1.00 33.21 H new ATOM 0 HG22 THR A 24 10.992 -8.081 3.672 1.00 33.21 H new ATOM 0 HG23 THR A 24 10.671 -7.685 5.377 1.00 33.21 H new ATOM 356 N PHE A 25 12.681 -6.205 3.004 1.00 41.24 N ATOM 357 CA PHE A 25 13.665 -6.498 1.968 1.00 4.33 C ATOM 358 C PHE A 25 14.637 -7.579 2.432 1.00 60.12 C ATOM 359 O PHE A 25 14.773 -7.838 3.628 1.00 14.43 O ATOM 360 CB PHE A 25 14.436 -5.230 1.595 1.00 43.15 C ATOM 361 CG PHE A 25 14.596 -5.040 0.113 1.00 15.11 C ATOM 362 CD1 PHE A 25 15.577 -5.725 -0.585 1.00 4.52 C ATOM 363 CD2 PHE A 25 13.763 -4.177 -0.582 1.00 21.35 C ATOM 364 CE1 PHE A 25 15.726 -5.551 -1.948 1.00 5.12 C ATOM 365 CE2 PHE A 25 13.907 -4.000 -1.945 1.00 1.12 C ATOM 366 CZ PHE A 25 14.890 -4.689 -2.629 1.00 15.52 C ATOM 0 H PHE A 25 12.961 -6.487 3.944 1.00 41.24 H new ATOM 0 HA PHE A 25 13.134 -6.864 1.090 1.00 4.33 H new ATOM 0 HB2 PHE A 25 13.919 -4.365 2.011 1.00 43.15 H new ATOM 0 HB3 PHE A 25 15.422 -5.265 2.057 1.00 43.15 H new ATOM 0 HD1 PHE A 25 16.233 -6.403 -0.058 1.00 4.52 H new ATOM 0 HD2 PHE A 25 12.993 -3.637 -0.052 1.00 21.35 H new ATOM 0 HE1 PHE A 25 16.496 -6.089 -2.480 1.00 5.12 H new ATOM 0 HE2 PHE A 25 13.252 -3.324 -2.475 1.00 1.12 H new ATOM 0 HZ PHE A 25 15.004 -4.553 -3.694 1.00 15.52 H new ATOM 376 N THR A 26 15.312 -8.210 1.475 1.00 13.34 N ATOM 377 CA THR A 26 16.269 -9.264 1.784 1.00 63.23 C ATOM 378 C THR A 26 17.599 -9.023 1.078 1.00 73.32 C ATOM 379 O THR A 26 17.708 -8.147 0.221 1.00 40.55 O ATOM 380 CB THR A 26 15.730 -10.649 1.379 1.00 54.01 C ATOM 381 OG1 THR A 26 15.731 -10.778 -0.047 1.00 41.42 O ATOM 382 CG2 THR A 26 14.320 -10.857 1.910 1.00 15.35 C ATOM 0 H THR A 26 15.213 -8.009 0.480 1.00 13.34 H new ATOM 0 HA THR A 26 16.424 -9.244 2.863 1.00 63.23 H new ATOM 0 HB THR A 26 16.381 -11.408 1.813 1.00 54.01 H new ATOM 0 HG1 THR A 26 15.389 -11.662 -0.296 1.00 41.42 H new ATOM 0 HG21 THR A 26 13.960 -11.842 1.612 1.00 15.35 H new ATOM 0 HG22 THR A 26 14.327 -10.788 2.998 1.00 15.35 H new ATOM 0 HG23 THR A 26 13.661 -10.091 1.502 1.00 15.35 H new ATOM 390 N VAL A 27 18.608 -9.807 1.443 1.00 60.51 N ATOM 391 CA VAL A 27 19.931 -9.680 0.843 1.00 73.42 C ATOM 392 C VAL A 27 20.239 -10.866 -0.064 1.00 60.41 C ATOM 393 O VAL A 27 19.501 -11.852 -0.087 1.00 42.31 O ATOM 394 CB VAL A 27 21.027 -9.572 1.919 1.00 63.40 C ATOM 395 CG1 VAL A 27 20.844 -8.307 2.743 1.00 30.23 C ATOM 396 CG2 VAL A 27 21.021 -10.805 2.811 1.00 45.05 C ATOM 0 H VAL A 27 18.535 -10.537 2.151 1.00 60.51 H new ATOM 0 HA VAL A 27 19.923 -8.765 0.250 1.00 73.42 H new ATOM 0 HB VAL A 27 21.995 -9.516 1.422 1.00 63.40 H new ATOM 0 HG11 VAL A 27 21.628 -8.248 3.498 1.00 30.23 H new ATOM 0 HG12 VAL A 27 20.903 -7.436 2.090 1.00 30.23 H new ATOM 0 HG13 VAL A 27 19.870 -8.329 3.232 1.00 30.23 H new ATOM 0 HG21 VAL A 27 21.802 -10.712 3.566 1.00 45.05 H new ATOM 0 HG22 VAL A 27 20.052 -10.895 3.301 1.00 45.05 H new ATOM 0 HG23 VAL A 27 21.205 -11.693 2.206 1.00 45.05 H new ATOM 406 N ASP A 28 21.334 -10.765 -0.810 1.00 12.04 N ATOM 407 CA ASP A 28 21.742 -11.830 -1.718 1.00 74.41 C ATOM 408 C ASP A 28 22.836 -12.689 -1.092 1.00 20.10 C ATOM 409 O ASP A 28 22.616 -13.859 -0.776 1.00 4.53 O ATOM 410 CB ASP A 28 22.233 -11.241 -3.041 1.00 72.33 C ATOM 411 CG ASP A 28 21.094 -10.763 -3.920 1.00 51.32 C ATOM 412 OD1 ASP A 28 19.931 -11.113 -3.628 1.00 0.41 O ATOM 413 OD2 ASP A 28 21.365 -10.038 -4.900 1.00 3.43 O ATOM 0 H ASP A 28 21.955 -9.956 -0.803 1.00 12.04 H new ATOM 0 HA ASP A 28 20.875 -12.462 -1.910 1.00 74.41 H new ATOM 0 HB2 ASP A 28 22.905 -10.407 -2.837 1.00 72.33 H new ATOM 0 HB3 ASP A 28 22.811 -11.993 -3.578 1.00 72.33 H new ATOM 418 N ARG A 29 24.015 -12.101 -0.917 1.00 30.21 N ATOM 419 CA ARG A 29 25.144 -12.813 -0.331 1.00 23.10 C ATOM 420 C ARG A 29 25.700 -12.055 0.871 1.00 30.43 C ATOM 421 O ARG A 29 25.650 -10.827 0.921 1.00 74.33 O ATOM 422 CB ARG A 29 26.245 -13.014 -1.374 1.00 40.42 C ATOM 423 CG ARG A 29 27.480 -13.712 -0.830 1.00 4.13 C ATOM 424 CD ARG A 29 27.188 -15.159 -0.466 1.00 75.25 C ATOM 425 NE ARG A 29 28.399 -15.974 -0.445 1.00 4.05 N ATOM 426 CZ ARG A 29 28.399 -17.286 -0.238 1.00 60.24 C ATOM 427 NH1 ARG A 29 27.257 -17.929 -0.038 1.00 52.10 N ATOM 428 NH2 ARG A 29 29.543 -17.959 -0.233 1.00 40.50 N ATOM 0 H ARG A 29 24.213 -11.134 -1.173 1.00 30.21 H new ATOM 0 HA ARG A 29 24.791 -13.787 0.007 1.00 23.10 H new ATOM 0 HB2 ARG A 29 25.845 -13.596 -2.204 1.00 40.42 H new ATOM 0 HB3 ARG A 29 26.534 -12.043 -1.776 1.00 40.42 H new ATOM 0 HG2 ARG A 29 28.276 -13.676 -1.573 1.00 4.13 H new ATOM 0 HG3 ARG A 29 27.842 -13.180 0.050 1.00 4.13 H new ATOM 0 HD2 ARG A 29 26.709 -15.197 0.512 1.00 75.25 H new ATOM 0 HD3 ARG A 29 26.482 -15.578 -1.183 1.00 75.25 H new ATOM 0 HE ARG A 29 29.295 -15.510 -0.598 1.00 4.05 H new ATOM 0 HH11 ARG A 29 26.375 -17.416 -0.043 1.00 52.10 H new ATOM 0 HH12 ARG A 29 27.260 -18.937 0.121 1.00 52.10 H new ATOM 0 HH21 ARG A 29 30.424 -17.469 -0.388 1.00 40.50 H new ATOM 0 HH22 ARG A 29 29.541 -18.967 -0.074 1.00 40.50 H new ATOM 442 N ASN A 30 26.229 -12.797 1.839 1.00 62.42 N ATOM 443 CA ASN A 30 26.793 -12.196 3.042 1.00 44.35 C ATOM 444 C ASN A 30 27.779 -11.087 2.684 1.00 14.14 C ATOM 445 O ASN A 30 28.803 -11.334 2.048 1.00 12.24 O ATOM 446 CB ASN A 30 27.492 -13.260 3.890 1.00 70.21 C ATOM 447 CG ASN A 30 28.448 -12.658 4.901 1.00 0.23 C ATOM 448 OD1 ASN A 30 29.664 -12.817 4.794 1.00 60.10 O ATOM 449 ND2 ASN A 30 27.901 -11.961 5.891 1.00 73.43 N ATOM 0 H ASN A 30 26.279 -13.815 1.813 1.00 62.42 H new ATOM 0 HA ASN A 30 25.976 -11.761 3.618 1.00 44.35 H new ATOM 0 HB2 ASN A 30 26.742 -13.854 4.412 1.00 70.21 H new ATOM 0 HB3 ASN A 30 28.039 -13.940 3.237 1.00 70.21 H new ATOM 0 HD21 ASN A 30 28.494 -11.532 6.601 1.00 73.43 H new ATOM 0 HD22 ASN A 30 26.888 -11.855 5.941 1.00 73.43 H new ATOM 456 N ALA A 31 27.461 -9.865 3.099 1.00 42.32 N ATOM 457 CA ALA A 31 28.319 -8.718 2.825 1.00 21.52 C ATOM 458 C ALA A 31 28.352 -7.762 4.012 1.00 0.32 C ATOM 459 O ALA A 31 27.350 -7.578 4.704 1.00 74.04 O ATOM 460 CB ALA A 31 27.848 -7.993 1.573 1.00 32.43 C ATOM 0 H ALA A 31 26.616 -9.644 3.626 1.00 42.32 H new ATOM 0 HA ALA A 31 29.332 -9.085 2.659 1.00 21.52 H new ATOM 0 HB1 ALA A 31 28.498 -7.139 1.381 1.00 32.43 H new ATOM 0 HB2 ALA A 31 27.883 -8.674 0.723 1.00 32.43 H new ATOM 0 HB3 ALA A 31 26.825 -7.645 1.717 1.00 32.43 H new ATOM 466 N THR A 32 29.511 -7.154 4.245 1.00 44.14 N ATOM 467 CA THR A 32 29.675 -6.217 5.349 1.00 24.42 C ATOM 468 C THR A 32 29.663 -4.776 4.854 1.00 12.32 C ATOM 469 O THR A 32 30.622 -4.313 4.238 1.00 50.23 O ATOM 470 CB THR A 32 30.988 -6.474 6.113 1.00 30.53 C ATOM 471 OG1 THR A 32 31.221 -5.421 7.055 1.00 32.32 O ATOM 472 CG2 THR A 32 32.163 -6.571 5.153 1.00 64.45 C ATOM 0 H THR A 32 30.351 -7.294 3.683 1.00 44.14 H new ATOM 0 HA THR A 32 28.833 -6.373 6.024 1.00 24.42 H new ATOM 0 HB THR A 32 30.894 -7.421 6.644 1.00 30.53 H new ATOM 0 HG1 THR A 32 32.057 -5.593 7.537 1.00 32.32 H new ATOM 0 HG21 THR A 32 33.079 -6.753 5.716 1.00 64.45 H new ATOM 0 HG22 THR A 32 31.997 -7.392 4.456 1.00 64.45 H new ATOM 0 HG23 THR A 32 32.257 -5.638 4.598 1.00 64.45 H new ATOM 480 N ALA A 33 28.571 -4.070 5.129 1.00 75.22 N ATOM 481 CA ALA A 33 28.435 -2.680 4.714 1.00 52.45 C ATOM 482 C ALA A 33 27.847 -1.827 5.833 1.00 23.21 C ATOM 483 O ALA A 33 27.033 -2.301 6.625 1.00 13.45 O ATOM 484 CB ALA A 33 27.570 -2.584 3.465 1.00 2.42 C ATOM 0 H ALA A 33 27.767 -4.439 5.638 1.00 75.22 H new ATOM 0 HA ALA A 33 29.429 -2.297 4.485 1.00 52.45 H new ATOM 0 HB1 ALA A 33 27.477 -1.540 3.166 1.00 2.42 H new ATOM 0 HB2 ALA A 33 28.032 -3.153 2.658 1.00 2.42 H new ATOM 0 HB3 ALA A 33 26.581 -2.991 3.675 1.00 2.42 H new ATOM 490 N VAL A 34 28.266 -0.567 5.893 1.00 24.14 N ATOM 491 CA VAL A 34 27.781 0.352 6.916 1.00 22.22 C ATOM 492 C VAL A 34 26.832 1.385 6.321 1.00 53.33 C ATOM 493 O VAL A 34 27.243 2.249 5.546 1.00 63.34 O ATOM 494 CB VAL A 34 28.945 1.081 7.613 1.00 41.51 C ATOM 495 CG1 VAL A 34 29.871 1.714 6.585 1.00 71.21 C ATOM 496 CG2 VAL A 34 28.414 2.129 8.580 1.00 61.20 C ATOM 0 H VAL A 34 28.940 -0.159 5.245 1.00 24.14 H new ATOM 0 HA VAL A 34 27.245 -0.248 7.652 1.00 22.22 H new ATOM 0 HB VAL A 34 29.519 0.350 8.183 1.00 41.51 H new ATOM 0 HG11 VAL A 34 30.687 2.224 7.096 1.00 71.21 H new ATOM 0 HG12 VAL A 34 30.278 0.939 5.936 1.00 71.21 H new ATOM 0 HG13 VAL A 34 29.312 2.433 5.986 1.00 71.21 H new ATOM 0 HG21 VAL A 34 29.250 2.634 9.064 1.00 61.20 H new ATOM 0 HG22 VAL A 34 27.816 2.858 8.034 1.00 61.20 H new ATOM 0 HG23 VAL A 34 27.795 1.646 9.336 1.00 61.20 H new ATOM 506 N VAL A 35 25.558 1.292 6.688 1.00 33.34 N ATOM 507 CA VAL A 35 24.549 2.220 6.192 1.00 34.40 C ATOM 508 C VAL A 35 23.762 2.842 7.340 1.00 5.42 C ATOM 509 O VAL A 35 23.421 2.167 8.311 1.00 71.43 O ATOM 510 CB VAL A 35 23.567 1.521 5.232 1.00 23.22 C ATOM 511 CG1 VAL A 35 22.713 2.546 4.503 1.00 73.05 C ATOM 512 CG2 VAL A 35 24.322 0.644 4.245 1.00 42.05 C ATOM 0 H VAL A 35 25.200 0.583 7.328 1.00 33.34 H new ATOM 0 HA VAL A 35 25.079 3.004 5.652 1.00 34.40 H new ATOM 0 HB VAL A 35 22.905 0.883 5.817 1.00 23.22 H new ATOM 0 HG11 VAL A 35 22.026 2.034 3.830 1.00 73.05 H new ATOM 0 HG12 VAL A 35 22.144 3.128 5.228 1.00 73.05 H new ATOM 0 HG13 VAL A 35 23.356 3.212 3.928 1.00 73.05 H new ATOM 0 HG21 VAL A 35 23.613 0.158 3.574 1.00 42.05 H new ATOM 0 HG22 VAL A 35 25.009 1.259 3.663 1.00 42.05 H new ATOM 0 HG23 VAL A 35 24.886 -0.114 4.789 1.00 42.05 H new ATOM 522 N SER A 36 23.478 4.135 7.223 1.00 41.54 N ATOM 523 CA SER A 36 22.734 4.851 8.253 1.00 45.44 C ATOM 524 C SER A 36 21.658 5.736 7.630 1.00 23.31 C ATOM 525 O SER A 36 21.671 5.993 6.426 1.00 4.41 O ATOM 526 CB SER A 36 23.684 5.702 9.098 1.00 12.42 C ATOM 527 OG SER A 36 23.932 6.954 8.482 1.00 5.01 O ATOM 0 H SER A 36 23.752 4.708 6.425 1.00 41.54 H new ATOM 0 HA SER A 36 22.248 4.115 8.894 1.00 45.44 H new ATOM 0 HB2 SER A 36 23.254 5.859 10.087 1.00 12.42 H new ATOM 0 HB3 SER A 36 24.625 5.170 9.240 1.00 12.42 H new ATOM 0 HG SER A 36 24.540 7.480 9.042 1.00 5.01 H new ATOM 533 N ILE A 37 20.728 6.197 8.459 1.00 2.22 N ATOM 534 CA ILE A 37 19.645 7.053 7.991 1.00 3.33 C ATOM 535 C ILE A 37 19.763 8.457 8.575 1.00 41.21 C ATOM 536 O ILE A 37 20.287 8.642 9.673 1.00 21.03 O ATOM 537 CB ILE A 37 18.268 6.471 8.359 1.00 31.40 C ATOM 538 CG1 ILE A 37 17.729 7.139 9.625 1.00 13.03 C ATOM 539 CG2 ILE A 37 18.364 4.964 8.548 1.00 13.15 C ATOM 540 CD1 ILE A 37 18.490 6.764 10.877 1.00 1.45 C ATOM 0 H ILE A 37 20.703 5.992 9.458 1.00 2.22 H new ATOM 0 HA ILE A 37 19.730 7.105 6.906 1.00 3.33 H new ATOM 0 HB ILE A 37 17.575 6.672 7.542 1.00 31.40 H new ATOM 0 HG12 ILE A 37 17.765 8.221 9.498 1.00 13.03 H new ATOM 0 HG13 ILE A 37 16.681 6.867 9.751 1.00 13.03 H new ATOM 0 HG21 ILE A 37 17.383 4.567 8.808 1.00 13.15 H new ATOM 0 HG22 ILE A 37 18.709 4.503 7.623 1.00 13.15 H new ATOM 0 HG23 ILE A 37 19.069 4.742 9.349 1.00 13.15 H new ATOM 0 HD11 ILE A 37 18.053 7.274 11.735 1.00 1.45 H new ATOM 0 HD12 ILE A 37 18.433 5.686 11.028 1.00 1.45 H new ATOM 0 HD13 ILE A 37 19.533 7.061 10.771 1.00 1.45 H new ATOM 552 N SER A 38 19.270 9.444 7.833 1.00 65.21 N ATOM 553 CA SER A 38 19.322 10.832 8.276 1.00 50.34 C ATOM 554 C SER A 38 18.745 11.763 7.213 1.00 4.01 C ATOM 555 O SER A 38 18.434 11.337 6.102 1.00 43.34 O ATOM 556 CB SER A 38 20.763 11.235 8.595 1.00 61.23 C ATOM 557 OG SER A 38 21.265 12.141 7.628 1.00 3.33 O ATOM 0 H SER A 38 18.830 9.308 6.923 1.00 65.21 H new ATOM 0 HA SER A 38 18.719 10.922 9.180 1.00 50.34 H new ATOM 0 HB2 SER A 38 20.806 11.693 9.583 1.00 61.23 H new ATOM 0 HB3 SER A 38 21.394 10.347 8.628 1.00 61.23 H new ATOM 0 HG SER A 38 22.187 12.384 7.855 1.00 3.33 H new ATOM 563 N GLY A 39 18.606 13.038 7.565 1.00 72.25 N ATOM 564 CA GLY A 39 18.067 14.010 6.631 1.00 30.23 C ATOM 565 C GLY A 39 17.572 15.265 7.323 1.00 62.24 C ATOM 566 O GLY A 39 17.492 16.329 6.710 1.00 31.31 O ATOM 0 H GLY A 39 18.857 13.415 8.479 1.00 72.25 H new ATOM 0 HA2 GLY A 39 18.835 14.278 5.906 1.00 30.23 H new ATOM 0 HA3 GLY A 39 17.246 13.558 6.074 1.00 30.23 H new ATOM 570 N GLY A 40 17.238 15.141 8.604 1.00 73.45 N ATOM 571 CA GLY A 40 16.750 16.281 9.357 1.00 45.21 C ATOM 572 C GLY A 40 16.921 16.104 10.853 1.00 64.14 C ATOM 573 O GLY A 40 18.044 16.028 11.351 1.00 3.32 O ATOM 0 H GLY A 40 17.297 14.271 9.133 1.00 73.45 H new ATOM 0 HA2 GLY A 40 17.281 17.178 9.037 1.00 45.21 H new ATOM 0 HA3 GLY A 40 15.695 16.437 9.131 1.00 45.21 H new ATOM 577 N SER A 41 15.805 16.039 11.571 1.00 52.13 N ATOM 578 CA SER A 41 15.836 15.875 13.019 1.00 0.44 C ATOM 579 C SER A 41 15.285 14.511 13.424 1.00 52.51 C ATOM 580 O SER A 41 14.574 13.864 12.656 1.00 0.13 O ATOM 581 CB SER A 41 15.030 16.985 13.697 1.00 51.22 C ATOM 582 OG SER A 41 15.789 18.178 13.798 1.00 31.42 O ATOM 0 H SER A 41 14.868 16.097 11.173 1.00 52.13 H new ATOM 0 HA SER A 41 16.874 15.939 13.344 1.00 0.44 H new ATOM 0 HB2 SER A 41 14.120 17.177 13.129 1.00 51.22 H new ATOM 0 HB3 SER A 41 14.723 16.660 14.691 1.00 51.22 H new ATOM 0 HG SER A 41 15.251 18.872 14.233 1.00 31.42 H new ATOM 588 N GLY A 42 15.619 14.081 14.637 1.00 51.02 N ATOM 589 CA GLY A 42 15.150 12.797 15.124 1.00 72.14 C ATOM 590 C GLY A 42 13.640 12.675 15.075 1.00 14.00 C ATOM 591 O GLY A 42 12.935 13.282 15.881 1.00 12.24 O ATOM 0 H GLY A 42 16.206 14.599 15.291 1.00 51.02 H new ATOM 0 HA2 GLY A 42 15.595 12.001 14.527 1.00 72.14 H new ATOM 0 HA3 GLY A 42 15.490 12.655 16.150 1.00 72.14 H new ATOM 595 N ASP A 43 13.141 11.890 14.126 1.00 24.14 N ATOM 596 CA ASP A 43 11.705 11.691 13.975 1.00 33.21 C ATOM 597 C ASP A 43 11.397 10.260 13.545 1.00 34.25 C ATOM 598 O ASP A 43 10.499 9.618 14.089 1.00 35.21 O ATOM 599 CB ASP A 43 11.136 12.677 12.953 1.00 24.23 C ATOM 600 CG ASP A 43 11.155 14.107 13.456 1.00 32.23 C ATOM 601 OD1 ASP A 43 12.174 14.798 13.245 1.00 73.43 O ATOM 602 OD2 ASP A 43 10.150 14.536 14.061 1.00 71.51 O ATOM 0 H ASP A 43 13.710 11.381 13.450 1.00 24.14 H new ATOM 0 HA ASP A 43 11.235 11.870 14.942 1.00 33.21 H new ATOM 0 HB2 ASP A 43 11.712 12.612 12.030 1.00 24.23 H new ATOM 0 HB3 ASP A 43 10.112 12.394 12.710 1.00 24.23 H new ATOM 607 N ALA A 44 12.147 9.767 12.566 1.00 62.03 N ATOM 608 CA ALA A 44 11.955 8.412 12.064 1.00 40.12 C ATOM 609 C ALA A 44 12.789 7.410 12.855 1.00 12.11 C ATOM 610 O ALA A 44 14.019 7.467 12.846 1.00 14.22 O ATOM 611 CB ALA A 44 12.306 8.342 10.585 1.00 50.41 C ATOM 0 H ALA A 44 12.894 10.286 12.104 1.00 62.03 H new ATOM 0 HA ALA A 44 10.904 8.150 12.190 1.00 40.12 H new ATOM 0 HB1 ALA A 44 12.158 7.324 10.224 1.00 50.41 H new ATOM 0 HB2 ALA A 44 11.664 9.023 10.026 1.00 50.41 H new ATOM 0 HB3 ALA A 44 13.348 8.629 10.444 1.00 50.41 H new ATOM 617 N ASP A 45 12.112 6.494 13.539 1.00 62.23 N ATOM 618 CA ASP A 45 12.791 5.478 14.336 1.00 40.55 C ATOM 619 C ASP A 45 13.331 4.362 13.447 1.00 4.22 C ATOM 620 O ASP A 45 12.739 4.030 12.419 1.00 1.44 O ATOM 621 CB ASP A 45 11.837 4.899 15.381 1.00 24.52 C ATOM 622 CG ASP A 45 11.291 5.958 16.317 1.00 13.43 C ATOM 623 OD1 ASP A 45 11.680 7.136 16.173 1.00 45.32 O ATOM 624 OD2 ASP A 45 10.472 5.610 17.194 1.00 45.32 O ATOM 0 H ASP A 45 11.094 6.434 13.558 1.00 62.23 H new ATOM 0 HA ASP A 45 13.631 5.951 14.845 1.00 40.55 H new ATOM 0 HB2 ASP A 45 11.008 4.402 14.876 1.00 24.52 H new ATOM 0 HB3 ASP A 45 12.358 4.138 15.962 1.00 24.52 H new ATOM 629 N LEU A 46 14.459 3.787 13.849 1.00 4.11 N ATOM 630 CA LEU A 46 15.081 2.708 13.089 1.00 1.11 C ATOM 631 C LEU A 46 14.930 1.374 13.814 1.00 51.44 C ATOM 632 O LEU A 46 15.285 1.249 14.986 1.00 50.51 O ATOM 633 CB LEU A 46 16.562 3.010 12.856 1.00 65.10 C ATOM 634 CG LEU A 46 17.362 1.927 12.131 1.00 21.30 C ATOM 635 CD1 LEU A 46 18.328 2.552 11.137 1.00 63.12 C ATOM 636 CD2 LEU A 46 18.111 1.057 13.131 1.00 52.43 C ATOM 0 H LEU A 46 14.962 4.050 14.697 1.00 4.11 H new ATOM 0 HA LEU A 46 14.575 2.636 12.126 1.00 1.11 H new ATOM 0 HB2 LEU A 46 16.638 3.934 12.283 1.00 65.10 H new ATOM 0 HB3 LEU A 46 17.031 3.194 13.822 1.00 65.10 H new ATOM 0 HG LEU A 46 16.665 1.295 11.581 1.00 21.30 H new ATOM 0 HD11 LEU A 46 18.888 1.766 10.631 1.00 63.12 H new ATOM 0 HD12 LEU A 46 17.769 3.131 10.401 1.00 63.12 H new ATOM 0 HD13 LEU A 46 19.020 3.208 11.665 1.00 63.12 H new ATOM 0 HD21 LEU A 46 18.675 0.292 12.597 1.00 52.43 H new ATOM 0 HD22 LEU A 46 18.797 1.676 13.709 1.00 52.43 H new ATOM 0 HD23 LEU A 46 17.398 0.580 13.803 1.00 52.43 H new ATOM 648 N TYR A 47 14.403 0.380 13.108 1.00 50.22 N ATOM 649 CA TYR A 47 14.205 -0.945 13.684 1.00 53.45 C ATOM 650 C TYR A 47 14.488 -2.034 12.654 1.00 73.13 C ATOM 651 O TYR A 47 14.119 -1.912 11.485 1.00 55.50 O ATOM 652 CB TYR A 47 12.776 -1.086 14.212 1.00 42.50 C ATOM 653 CG TYR A 47 12.483 -0.207 15.407 1.00 3.20 C ATOM 654 CD1 TYR A 47 13.019 -0.497 16.656 1.00 75.22 C ATOM 655 CD2 TYR A 47 11.672 0.915 15.287 1.00 73.31 C ATOM 656 CE1 TYR A 47 12.753 0.302 17.750 1.00 13.54 C ATOM 657 CE2 TYR A 47 11.402 1.721 16.376 1.00 73.02 C ATOM 658 CZ TYR A 47 11.944 1.410 17.605 1.00 1.43 C ATOM 659 OH TYR A 47 11.678 2.210 18.693 1.00 42.40 O ATOM 0 H TYR A 47 14.105 0.466 12.136 1.00 50.22 H new ATOM 0 HA TYR A 47 14.904 -1.062 14.512 1.00 53.45 H new ATOM 0 HB2 TYR A 47 12.076 -0.843 13.412 1.00 42.50 H new ATOM 0 HB3 TYR A 47 12.599 -2.126 14.485 1.00 42.50 H new ATOM 0 HD1 TYR A 47 13.655 -1.362 16.773 1.00 75.22 H new ATOM 0 HD2 TYR A 47 11.245 1.161 14.326 1.00 73.31 H new ATOM 0 HE1 TYR A 47 13.176 0.061 18.714 1.00 13.54 H new ATOM 0 HE2 TYR A 47 10.770 2.590 16.265 1.00 73.02 H new ATOM 0 HH TYR A 47 11.094 2.948 18.421 1.00 42.40 H new ATOM 669 N LEU A 48 15.145 -3.100 13.096 1.00 31.50 N ATOM 670 CA LEU A 48 15.478 -4.214 12.214 1.00 1.04 C ATOM 671 C LEU A 48 15.457 -5.536 12.975 1.00 2.11 C ATOM 672 O LEU A 48 16.009 -5.643 14.071 1.00 73.34 O ATOM 673 CB LEU A 48 16.855 -3.997 11.584 1.00 12.20 C ATOM 674 CG LEU A 48 17.005 -4.443 10.129 1.00 31.12 C ATOM 675 CD1 LEU A 48 18.451 -4.314 9.678 1.00 64.02 C ATOM 676 CD2 LEU A 48 16.516 -5.874 9.957 1.00 1.11 C ATOM 0 H LEU A 48 15.458 -3.217 14.060 1.00 31.50 H new ATOM 0 HA LEU A 48 14.727 -4.258 11.425 1.00 1.04 H new ATOM 0 HB2 LEU A 48 17.097 -2.936 11.645 1.00 12.20 H new ATOM 0 HB3 LEU A 48 17.595 -4.527 12.184 1.00 12.20 H new ATOM 0 HG LEU A 48 16.392 -3.793 9.504 1.00 31.12 H new ATOM 0 HD11 LEU A 48 18.539 -4.636 8.640 1.00 64.02 H new ATOM 0 HD12 LEU A 48 18.767 -3.274 9.763 1.00 64.02 H new ATOM 0 HD13 LEU A 48 19.085 -4.939 10.306 1.00 64.02 H new ATOM 0 HD21 LEU A 48 16.630 -6.175 8.916 1.00 1.11 H new ATOM 0 HD22 LEU A 48 17.102 -6.538 10.593 1.00 1.11 H new ATOM 0 HD23 LEU A 48 15.465 -5.936 10.239 1.00 1.11 H new ATOM 688 N LYS A 49 14.819 -6.541 12.386 1.00 20.50 N ATOM 689 CA LYS A 49 14.729 -7.858 13.005 1.00 34.42 C ATOM 690 C LYS A 49 14.815 -8.961 11.954 1.00 1.25 C ATOM 691 O LYS A 49 14.156 -8.896 10.917 1.00 11.34 O ATOM 692 CB LYS A 49 13.420 -7.988 13.789 1.00 44.43 C ATOM 693 CG LYS A 49 13.620 -8.356 15.249 1.00 74.03 C ATOM 694 CD LYS A 49 12.508 -9.261 15.752 1.00 31.31 C ATOM 695 CE LYS A 49 12.911 -9.981 17.030 1.00 71.21 C ATOM 696 NZ LYS A 49 13.640 -11.248 16.746 1.00 23.22 N ATOM 0 H LYS A 49 14.356 -6.469 11.480 1.00 20.50 H new ATOM 0 HA LYS A 49 15.569 -7.967 13.691 1.00 34.42 H new ATOM 0 HB2 LYS A 49 12.877 -7.045 13.732 1.00 44.43 H new ATOM 0 HB3 LYS A 49 12.796 -8.745 13.314 1.00 44.43 H new ATOM 0 HG2 LYS A 49 14.581 -8.856 15.371 1.00 74.03 H new ATOM 0 HG3 LYS A 49 13.654 -7.449 15.853 1.00 74.03 H new ATOM 0 HD2 LYS A 49 11.610 -8.670 15.934 1.00 31.31 H new ATOM 0 HD3 LYS A 49 12.258 -9.993 14.984 1.00 31.31 H new ATOM 0 HE2 LYS A 49 13.541 -9.327 17.632 1.00 71.21 H new ATOM 0 HE3 LYS A 49 12.021 -10.199 17.620 1.00 71.21 H new ATOM 0 HZ1 LYS A 49 13.897 -11.709 17.642 1.00 23.22 H new ATOM 0 HZ2 LYS A 49 13.030 -11.883 16.193 1.00 23.22 H new ATOM 0 HZ3 LYS A 49 14.503 -11.038 16.204 1.00 23.22 H new ATOM 710 N ALA A 50 15.631 -9.973 12.231 1.00 41.32 N ATOM 711 CA ALA A 50 15.800 -11.091 11.311 1.00 45.41 C ATOM 712 C ALA A 50 14.618 -12.050 11.389 1.00 13.02 C ATOM 713 O ALA A 50 14.190 -12.436 12.476 1.00 11.01 O ATOM 714 CB ALA A 50 17.099 -11.826 11.607 1.00 3.31 C ATOM 0 H ALA A 50 16.185 -10.041 13.085 1.00 41.32 H new ATOM 0 HA ALA A 50 15.844 -10.692 10.298 1.00 45.41 H new ATOM 0 HB1 ALA A 50 17.212 -12.658 10.913 1.00 3.31 H new ATOM 0 HB2 ALA A 50 17.939 -11.141 11.492 1.00 3.31 H new ATOM 0 HB3 ALA A 50 17.077 -12.206 12.628 1.00 3.31 H new ATOM 720 N GLY A 51 14.093 -12.431 10.228 1.00 14.14 N ATOM 721 CA GLY A 51 12.963 -13.341 10.188 1.00 23.44 C ATOM 722 C GLY A 51 11.636 -12.625 10.338 1.00 33.53 C ATOM 723 O GLY A 51 10.947 -12.367 9.351 1.00 20.32 O ATOM 0 H GLY A 51 14.430 -12.126 9.315 1.00 14.14 H new ATOM 0 HA2 GLY A 51 12.973 -13.887 9.244 1.00 23.44 H new ATOM 0 HA3 GLY A 51 13.066 -14.079 10.984 1.00 23.44 H new ATOM 727 N SER A 52 11.274 -12.305 11.577 1.00 64.14 N ATOM 728 CA SER A 52 10.017 -11.619 11.853 1.00 64.51 C ATOM 729 C SER A 52 10.221 -10.108 11.894 1.00 54.13 C ATOM 730 O SER A 52 11.344 -9.617 11.780 1.00 30.03 O ATOM 731 CB SER A 52 9.430 -12.102 13.180 1.00 33.43 C ATOM 732 OG SER A 52 9.589 -13.503 13.329 1.00 5.54 O ATOM 0 H SER A 52 11.833 -12.510 12.405 1.00 64.14 H new ATOM 0 HA SER A 52 9.319 -11.852 11.049 1.00 64.51 H new ATOM 0 HB2 SER A 52 9.920 -11.587 14.007 1.00 33.43 H new ATOM 0 HB3 SER A 52 8.372 -11.846 13.228 1.00 33.43 H new ATOM 0 HG SER A 52 9.207 -13.786 14.186 1.00 5.54 H new ATOM 738 N LYS A 53 9.125 -9.374 12.056 1.00 32.34 N ATOM 739 CA LYS A 53 9.180 -7.918 12.114 1.00 72.42 C ATOM 740 C LYS A 53 9.413 -7.439 13.543 1.00 51.42 C ATOM 741 O LYS A 53 8.827 -7.949 14.498 1.00 62.11 O ATOM 742 CB LYS A 53 7.883 -7.317 11.568 1.00 50.43 C ATOM 743 CG LYS A 53 6.739 -7.329 12.566 1.00 33.44 C ATOM 744 CD LYS A 53 6.639 -6.012 13.318 1.00 64.25 C ATOM 745 CE LYS A 53 5.448 -5.191 12.848 1.00 20.43 C ATOM 746 NZ LYS A 53 4.356 -5.170 13.861 1.00 41.34 N ATOM 0 H LYS A 53 8.187 -9.764 12.150 1.00 32.34 H new ATOM 0 HA LYS A 53 10.015 -7.585 11.498 1.00 72.42 H new ATOM 0 HB2 LYS A 53 8.072 -6.290 11.257 1.00 50.43 H new ATOM 0 HB3 LYS A 53 7.583 -7.870 10.678 1.00 50.43 H new ATOM 0 HG2 LYS A 53 5.802 -7.523 12.044 1.00 33.44 H new ATOM 0 HG3 LYS A 53 6.883 -8.144 13.276 1.00 33.44 H new ATOM 0 HD2 LYS A 53 6.548 -6.208 14.386 1.00 64.25 H new ATOM 0 HD3 LYS A 53 7.556 -5.440 13.175 1.00 64.25 H new ATOM 0 HE2 LYS A 53 5.770 -4.171 12.639 1.00 20.43 H new ATOM 0 HE3 LYS A 53 5.069 -5.603 11.913 1.00 20.43 H new ATOM 0 HZ1 LYS A 53 3.562 -4.601 13.504 1.00 41.34 H new ATOM 0 HZ2 LYS A 53 4.032 -6.141 14.042 1.00 41.34 H new ATOM 0 HZ3 LYS A 53 4.711 -4.753 14.745 1.00 41.34 H new ATOM 760 N PRO A 54 10.287 -6.433 13.695 1.00 3.11 N ATOM 761 CA PRO A 54 10.616 -5.861 15.004 1.00 31.13 C ATOM 762 C PRO A 54 9.455 -5.072 15.600 1.00 31.11 C ATOM 763 O PRO A 54 8.722 -4.389 14.884 1.00 31.01 O ATOM 764 CB PRO A 54 11.794 -4.932 14.700 1.00 14.20 C ATOM 765 CG PRO A 54 11.630 -4.571 13.264 1.00 65.43 C ATOM 766 CD PRO A 54 11.022 -5.776 12.601 1.00 61.30 C ATOM 0 HA PRO A 54 10.843 -6.632 15.740 1.00 31.13 H new ATOM 0 HB2 PRO A 54 11.774 -4.047 15.336 1.00 14.20 H new ATOM 0 HB3 PRO A 54 12.747 -5.430 14.877 1.00 14.20 H new ATOM 0 HG2 PRO A 54 10.987 -3.698 13.152 1.00 65.43 H new ATOM 0 HG3 PRO A 54 12.590 -4.320 12.813 1.00 65.43 H new ATOM 0 HD2 PRO A 54 10.358 -5.493 11.784 1.00 61.30 H new ATOM 0 HD3 PRO A 54 11.785 -6.431 12.180 1.00 61.30 H new ATOM 774 N THR A 55 9.292 -5.170 16.916 1.00 5.30 N ATOM 775 CA THR A 55 8.220 -4.466 17.608 1.00 3.21 C ATOM 776 C THR A 55 8.734 -3.189 18.264 1.00 62.23 C ATOM 777 O THR A 55 9.924 -2.878 18.194 1.00 13.11 O ATOM 778 CB THR A 55 7.567 -5.355 18.683 1.00 1.43 C ATOM 779 OG1 THR A 55 8.151 -5.085 19.963 1.00 41.03 O ATOM 780 CG2 THR A 55 7.736 -6.828 18.343 1.00 10.34 C ATOM 0 H THR A 55 9.889 -5.731 17.524 1.00 5.30 H new ATOM 0 HA THR A 55 7.474 -4.210 16.856 1.00 3.21 H new ATOM 0 HB THR A 55 6.502 -5.126 18.715 1.00 1.43 H new ATOM 0 HG1 THR A 55 7.729 -5.653 20.641 1.00 41.03 H new ATOM 0 HG21 THR A 55 7.267 -7.436 19.116 1.00 10.34 H new ATOM 0 HG22 THR A 55 7.265 -7.036 17.382 1.00 10.34 H new ATOM 0 HG23 THR A 55 8.798 -7.069 18.286 1.00 10.34 H new ATOM 788 N THR A 56 7.831 -2.452 18.902 1.00 14.01 N ATOM 789 CA THR A 56 8.193 -1.208 19.570 1.00 33.43 C ATOM 790 C THR A 56 9.101 -1.471 20.766 1.00 34.03 C ATOM 791 O THR A 56 9.710 -0.549 21.310 1.00 74.54 O ATOM 792 CB THR A 56 6.944 -0.442 20.047 1.00 61.35 C ATOM 793 OG1 THR A 56 6.314 -1.151 21.119 1.00 73.40 O ATOM 794 CG2 THR A 56 5.956 -0.256 18.905 1.00 12.42 C ATOM 0 H THR A 56 6.843 -2.695 18.970 1.00 14.01 H new ATOM 0 HA THR A 56 8.726 -0.600 18.839 1.00 33.43 H new ATOM 0 HB THR A 56 7.259 0.541 20.398 1.00 61.35 H new ATOM 0 HG1 THR A 56 5.522 -0.657 21.417 1.00 73.40 H new ATOM 0 HG21 THR A 56 5.082 0.287 19.265 1.00 12.42 H new ATOM 0 HG22 THR A 56 6.430 0.309 18.103 1.00 12.42 H new ATOM 0 HG23 THR A 56 5.647 -1.231 18.528 1.00 12.42 H new ATOM 802 N SER A 57 9.187 -2.734 21.171 1.00 4.05 N ATOM 803 CA SER A 57 10.019 -3.117 22.306 1.00 25.30 C ATOM 804 C SER A 57 11.041 -4.174 21.898 1.00 61.41 C ATOM 805 O SER A 57 12.103 -4.295 22.508 1.00 23.21 O ATOM 806 CB SER A 57 9.149 -3.647 23.448 1.00 45.52 C ATOM 807 OG SER A 57 8.507 -2.586 24.133 1.00 1.34 O ATOM 0 H SER A 57 8.691 -3.509 20.731 1.00 4.05 H new ATOM 0 HA SER A 57 10.554 -2.231 22.648 1.00 25.30 H new ATOM 0 HB2 SER A 57 8.401 -4.334 23.051 1.00 45.52 H new ATOM 0 HB3 SER A 57 9.765 -4.215 24.145 1.00 45.52 H new ATOM 0 HG SER A 57 7.956 -2.950 24.857 1.00 1.34 H new ATOM 813 N SER A 58 10.711 -4.938 20.861 1.00 21.12 N ATOM 814 CA SER A 58 11.597 -5.988 20.373 1.00 61.14 C ATOM 815 C SER A 58 12.319 -5.543 19.105 1.00 65.13 C ATOM 816 O SER A 58 11.690 -5.129 18.132 1.00 54.44 O ATOM 817 CB SER A 58 10.804 -7.267 20.099 1.00 70.50 C ATOM 818 OG SER A 58 11.265 -8.336 20.908 1.00 53.02 O ATOM 0 H SER A 58 9.837 -4.849 20.343 1.00 21.12 H new ATOM 0 HA SER A 58 12.342 -6.188 21.143 1.00 61.14 H new ATOM 0 HB2 SER A 58 9.746 -7.091 20.292 1.00 70.50 H new ATOM 0 HB3 SER A 58 10.896 -7.537 19.047 1.00 70.50 H new ATOM 0 HG SER A 58 10.741 -9.142 20.715 1.00 53.02 H new ATOM 824 N TRP A 59 13.644 -5.632 19.124 1.00 23.14 N ATOM 825 CA TRP A 59 14.454 -5.239 17.977 1.00 52.34 C ATOM 826 C TRP A 59 15.762 -6.020 17.940 1.00 63.44 C ATOM 827 O TRP A 59 16.256 -6.471 18.974 1.00 44.45 O ATOM 828 CB TRP A 59 14.743 -3.737 18.021 1.00 22.52 C ATOM 829 CG TRP A 59 14.569 -3.139 19.384 1.00 33.23 C ATOM 830 CD1 TRP A 59 13.399 -2.724 19.953 1.00 12.04 C ATOM 831 CD2 TRP A 59 15.597 -2.888 20.348 1.00 44.32 C ATOM 832 NE1 TRP A 59 13.638 -2.229 21.213 1.00 62.41 N ATOM 833 CE2 TRP A 59 14.979 -2.320 21.479 1.00 51.42 C ATOM 834 CE3 TRP A 59 16.980 -3.089 20.366 1.00 1.14 C ATOM 835 CZ2 TRP A 59 15.697 -1.951 22.613 1.00 2.31 C ATOM 836 CZ3 TRP A 59 17.692 -2.722 21.493 1.00 74.03 C ATOM 837 CH2 TRP A 59 17.050 -2.159 22.604 1.00 54.13 C ATOM 0 H TRP A 59 14.180 -5.973 19.922 1.00 23.14 H new ATOM 0 HA TRP A 59 13.891 -5.467 17.072 1.00 52.34 H new ATOM 0 HB2 TRP A 59 15.764 -3.561 17.682 1.00 22.52 H new ATOM 0 HB3 TRP A 59 14.082 -3.226 17.321 1.00 22.52 H new ATOM 0 HD1 TRP A 59 12.428 -2.777 19.482 1.00 12.04 H new ATOM 0 HE1 TRP A 59 12.932 -1.855 21.847 1.00 62.41 H new ATOM 0 HE3 TRP A 59 17.483 -3.523 19.515 1.00 1.14 H new ATOM 0 HZ2 TRP A 59 15.204 -1.516 23.470 1.00 2.31 H new ATOM 0 HZ3 TRP A 59 18.761 -2.872 21.517 1.00 74.03 H new ATOM 0 HH2 TRP A 59 17.634 -1.884 23.470 1.00 54.13 H new ATOM 848 N ASP A 60 16.319 -6.178 16.744 1.00 53.03 N ATOM 849 CA ASP A 60 17.571 -6.905 16.573 1.00 44.30 C ATOM 850 C ASP A 60 18.739 -5.940 16.392 1.00 1.20 C ATOM 851 O ASP A 60 19.864 -6.227 16.802 1.00 22.52 O ATOM 852 CB ASP A 60 17.480 -7.846 15.371 1.00 42.43 C ATOM 853 CG ASP A 60 18.566 -8.903 15.380 1.00 62.35 C ATOM 854 OD1 ASP A 60 18.505 -9.808 16.238 1.00 64.45 O ATOM 855 OD2 ASP A 60 19.478 -8.826 14.529 1.00 54.40 O ATOM 0 H ASP A 60 15.923 -5.812 15.878 1.00 53.03 H new ATOM 0 HA ASP A 60 17.746 -7.495 17.473 1.00 44.30 H new ATOM 0 HB2 ASP A 60 16.504 -8.332 15.367 1.00 42.43 H new ATOM 0 HB3 ASP A 60 17.551 -7.264 14.452 1.00 42.43 H new ATOM 860 N CYS A 61 18.464 -4.796 15.775 1.00 3.01 N ATOM 861 CA CYS A 61 19.493 -3.789 15.538 1.00 55.01 C ATOM 862 C CYS A 61 18.957 -2.389 15.817 1.00 53.50 C ATOM 863 O CYS A 61 17.955 -1.969 15.237 1.00 63.24 O ATOM 864 CB CYS A 61 19.999 -3.877 14.097 1.00 10.35 C ATOM 865 SG CYS A 61 20.684 -5.490 13.653 1.00 52.02 S ATOM 0 H CYS A 61 17.538 -4.543 15.430 1.00 3.01 H new ATOM 0 HA CYS A 61 20.322 -3.984 16.219 1.00 55.01 H new ATOM 0 HB2 CYS A 61 19.177 -3.644 13.420 1.00 10.35 H new ATOM 0 HB3 CYS A 61 20.763 -3.115 13.944 1.00 10.35 H new ATOM 0 HG CYS A 61 21.083 -5.466 12.416 1.00 52.02 H new ATOM 871 N ARG A 62 19.629 -1.670 16.710 1.00 24.53 N ATOM 872 CA ARG A 62 19.219 -0.318 17.069 1.00 62.22 C ATOM 873 C ARG A 62 20.198 0.302 18.062 1.00 32.41 C ATOM 874 O ARG A 62 20.507 -0.272 19.106 1.00 24.34 O ATOM 875 CB ARG A 62 17.810 -0.331 17.665 1.00 44.20 C ATOM 876 CG ARG A 62 17.330 1.037 18.121 1.00 32.04 C ATOM 877 CD ARG A 62 15.823 1.178 17.968 1.00 45.00 C ATOM 878 NE ARG A 62 15.191 1.655 19.195 1.00 74.22 N ATOM 879 CZ ARG A 62 15.195 2.927 19.578 1.00 63.24 C ATOM 880 NH1 ARG A 62 15.796 3.845 18.833 1.00 61.51 N ATOM 881 NH2 ARG A 62 14.597 3.283 20.707 1.00 4.04 N ATOM 0 H ARG A 62 20.461 -2.002 17.199 1.00 24.53 H new ATOM 0 HA ARG A 62 19.217 0.287 16.162 1.00 62.22 H new ATOM 0 HB2 ARG A 62 17.114 -0.722 16.923 1.00 44.20 H new ATOM 0 HB3 ARG A 62 17.790 -1.015 18.513 1.00 44.20 H new ATOM 0 HG2 ARG A 62 17.607 1.192 19.164 1.00 32.04 H new ATOM 0 HG3 ARG A 62 17.830 1.812 17.540 1.00 32.04 H new ATOM 0 HD2 ARG A 62 15.604 1.870 17.155 1.00 45.00 H new ATOM 0 HD3 ARG A 62 15.395 0.215 17.691 1.00 45.00 H new ATOM 0 HE ARG A 62 14.720 0.974 19.791 1.00 74.22 H new ATOM 0 HH11 ARG A 62 16.256 3.575 17.964 1.00 61.51 H new ATOM 0 HH12 ARG A 62 15.798 4.821 19.129 1.00 61.51 H new ATOM 0 HH21 ARG A 62 14.133 2.580 21.282 1.00 4.04 H new ATOM 0 HH22 ARG A 62 14.601 4.260 21.000 1.00 4.04 H new ATOM 895 N PRO A 63 20.698 1.501 17.731 1.00 53.35 N ATOM 896 CA PRO A 63 21.648 2.225 18.580 1.00 63.11 C ATOM 897 C PRO A 63 21.005 2.739 19.863 1.00 34.32 C ATOM 898 O PRO A 63 21.696 3.171 20.786 1.00 52.43 O ATOM 899 CB PRO A 63 22.092 3.395 17.698 1.00 11.25 C ATOM 900 CG PRO A 63 20.962 3.605 16.750 1.00 21.23 C ATOM 901 CD PRO A 63 20.373 2.244 16.501 1.00 32.02 C ATOM 0 HA PRO A 63 22.468 1.587 18.910 1.00 63.11 H new ATOM 0 HB2 PRO A 63 22.282 4.289 18.292 1.00 11.25 H new ATOM 0 HB3 PRO A 63 23.016 3.163 17.168 1.00 11.25 H new ATOM 0 HG2 PRO A 63 20.218 4.281 17.173 1.00 21.23 H new ATOM 0 HG3 PRO A 63 21.311 4.055 15.821 1.00 21.23 H new ATOM 0 HD2 PRO A 63 19.297 2.296 16.336 1.00 32.02 H new ATOM 0 HD3 PRO A 63 20.809 1.773 15.620 1.00 32.02 H new ATOM 909 N TYR A 64 19.678 2.688 19.916 1.00 64.34 N ATOM 910 CA TYR A 64 18.941 3.150 21.086 1.00 64.03 C ATOM 911 C TYR A 64 19.110 4.654 21.276 1.00 13.33 C ATOM 912 O TYR A 64 19.959 5.102 22.047 1.00 50.42 O ATOM 913 CB TYR A 64 19.415 2.410 22.338 1.00 72.22 C ATOM 914 CG TYR A 64 18.395 2.396 23.454 1.00 25.55 C ATOM 915 CD1 TYR A 64 17.122 1.878 23.253 1.00 22.40 C ATOM 916 CD2 TYR A 64 18.706 2.899 24.712 1.00 44.33 C ATOM 917 CE1 TYR A 64 16.188 1.863 24.270 1.00 13.32 C ATOM 918 CE2 TYR A 64 17.779 2.888 25.735 1.00 33.33 C ATOM 919 CZ TYR A 64 16.521 2.369 25.509 1.00 14.25 C ATOM 920 OH TYR A 64 15.593 2.355 26.526 1.00 50.52 O ATOM 0 H TYR A 64 19.091 2.331 19.162 1.00 64.34 H new ATOM 0 HA TYR A 64 17.884 2.938 20.926 1.00 64.03 H new ATOM 0 HB2 TYR A 64 19.663 1.383 22.071 1.00 72.22 H new ATOM 0 HB3 TYR A 64 20.332 2.876 22.700 1.00 72.22 H new ATOM 0 HD1 TYR A 64 16.858 1.480 22.284 1.00 22.40 H new ATOM 0 HD2 TYR A 64 19.690 3.306 24.892 1.00 44.33 H new ATOM 0 HE1 TYR A 64 15.202 1.457 24.096 1.00 13.32 H new ATOM 0 HE2 TYR A 64 18.037 3.283 26.706 1.00 33.33 H new ATOM 0 HH TYR A 64 15.987 2.747 27.334 1.00 50.52 H new ATOM 930 N ARG A 65 18.294 5.429 20.569 1.00 75.30 N ATOM 931 CA ARG A 65 18.351 6.883 20.659 1.00 62.32 C ATOM 932 C ARG A 65 17.327 7.526 19.729 1.00 73.13 C ATOM 933 O ARG A 65 16.426 6.856 19.222 1.00 2.13 O ATOM 934 CB ARG A 65 19.755 7.381 20.311 1.00 1.12 C ATOM 935 CG ARG A 65 20.359 8.289 21.370 1.00 14.12 C ATOM 936 CD ARG A 65 21.870 8.385 21.227 1.00 75.42 C ATOM 937 NE ARG A 65 22.499 8.933 22.425 1.00 64.10 N ATOM 938 CZ ARG A 65 23.768 9.324 22.475 1.00 51.22 C ATOM 939 NH1 ARG A 65 24.537 9.229 21.399 1.00 23.43 N ATOM 940 NH2 ARG A 65 24.269 9.813 23.602 1.00 31.11 N ATOM 0 H ARG A 65 17.585 5.074 19.927 1.00 75.30 H new ATOM 0 HA ARG A 65 18.115 7.168 21.684 1.00 62.32 H new ATOM 0 HB2 ARG A 65 20.410 6.522 20.164 1.00 1.12 H new ATOM 0 HB3 ARG A 65 19.716 7.918 19.363 1.00 1.12 H new ATOM 0 HG2 ARG A 65 19.921 9.284 21.290 1.00 14.12 H new ATOM 0 HG3 ARG A 65 20.110 7.910 22.361 1.00 14.12 H new ATOM 0 HD2 ARG A 65 22.279 7.395 21.024 1.00 75.42 H new ATOM 0 HD3 ARG A 65 22.114 9.013 20.370 1.00 75.42 H new ATOM 0 HE ARG A 65 21.934 9.021 23.270 1.00 64.10 H new ATOM 0 HH11 ARG A 65 24.155 8.855 20.530 1.00 23.43 H new ATOM 0 HH12 ARG A 65 25.511 9.530 21.440 1.00 23.43 H new ATOM 0 HH21 ARG A 65 23.680 9.889 24.431 1.00 31.11 H new ATOM 0 HH22 ARG A 65 25.243 10.113 23.639 1.00 31.11 H new ATOM 954 N TYR A 66 17.470 8.828 19.509 1.00 24.01 N ATOM 955 CA TYR A 66 16.556 9.562 18.643 1.00 42.44 C ATOM 956 C TYR A 66 16.317 8.808 17.338 1.00 24.03 C ATOM 957 O TYR A 66 17.099 7.936 16.960 1.00 51.41 O ATOM 958 CB TYR A 66 17.112 10.956 18.344 1.00 13.04 C ATOM 959 CG TYR A 66 16.897 11.946 19.467 1.00 44.33 C ATOM 960 CD1 TYR A 66 15.641 12.485 19.714 1.00 40.53 C ATOM 961 CD2 TYR A 66 17.952 12.342 20.281 1.00 74.10 C ATOM 962 CE1 TYR A 66 15.441 13.391 20.738 1.00 41.05 C ATOM 963 CE2 TYR A 66 17.761 13.246 21.308 1.00 34.21 C ATOM 964 CZ TYR A 66 16.504 13.768 21.532 1.00 33.10 C ATOM 965 OH TYR A 66 16.308 14.669 22.554 1.00 63.42 O ATOM 0 H TYR A 66 18.211 9.397 19.919 1.00 24.01 H new ATOM 0 HA TYR A 66 15.604 9.661 19.164 1.00 42.44 H new ATOM 0 HB2 TYR A 66 18.180 10.876 18.140 1.00 13.04 H new ATOM 0 HB3 TYR A 66 16.642 11.339 17.438 1.00 13.04 H new ATOM 0 HD1 TYR A 66 14.806 12.191 19.095 1.00 40.53 H new ATOM 0 HD2 TYR A 66 18.938 11.936 20.108 1.00 74.10 H new ATOM 0 HE1 TYR A 66 14.458 13.802 20.916 1.00 41.05 H new ATOM 0 HE2 TYR A 66 18.591 13.542 21.932 1.00 34.21 H new ATOM 0 HH TYR A 66 17.157 14.827 23.018 1.00 63.42 H new ATOM 975 N GLY A 67 15.230 9.151 16.654 1.00 2.20 N ATOM 976 CA GLY A 67 14.907 8.498 15.399 1.00 14.21 C ATOM 977 C GLY A 67 16.031 8.598 14.387 1.00 33.41 C ATOM 978 O GLY A 67 16.938 7.767 14.373 1.00 33.35 O ATOM 0 H GLY A 67 14.567 9.869 16.946 1.00 2.20 H new ATOM 0 HA2 GLY A 67 14.684 7.448 15.587 1.00 14.21 H new ATOM 0 HA3 GLY A 67 14.005 8.946 14.981 1.00 14.21 H new ATOM 982 N ASN A 68 15.970 9.617 13.536 1.00 23.20 N ATOM 983 CA ASN A 68 16.990 9.820 12.514 1.00 44.42 C ATOM 984 C ASN A 68 18.377 9.921 13.142 1.00 42.43 C ATOM 985 O ASN A 68 18.511 10.176 14.338 1.00 51.22 O ATOM 986 CB ASN A 68 16.690 11.086 11.709 1.00 54.15 C ATOM 987 CG ASN A 68 17.465 12.289 12.210 1.00 21.34 C ATOM 988 OD1 ASN A 68 17.516 12.551 13.412 1.00 24.22 O ATOM 989 ND2 ASN A 68 18.073 13.027 11.289 1.00 22.12 N ATOM 0 H ASN A 68 15.226 10.314 13.534 1.00 23.20 H new ATOM 0 HA ASN A 68 16.975 8.959 11.845 1.00 44.42 H new ATOM 0 HB2 ASN A 68 16.933 10.912 10.661 1.00 54.15 H new ATOM 0 HB3 ASN A 68 15.622 11.299 11.758 1.00 54.15 H new ATOM 0 HD21 ASN A 68 18.610 13.849 11.567 1.00 22.12 H new ATOM 0 HD22 ASN A 68 18.004 12.772 10.304 1.00 22.12 H new ATOM 996 N ASN A 69 19.407 9.720 12.325 1.00 15.13 N ATOM 997 CA ASN A 69 20.784 9.788 12.800 1.00 13.55 C ATOM 998 C ASN A 69 21.075 8.663 13.789 1.00 15.41 C ATOM 999 O ASN A 69 21.957 8.783 14.638 1.00 11.52 O ATOM 1000 CB ASN A 69 21.051 11.143 13.459 1.00 2.33 C ATOM 1001 CG ASN A 69 22.492 11.589 13.301 1.00 61.30 C ATOM 1002 OD1 ASN A 69 23.254 11.619 14.268 1.00 70.44 O ATOM 1003 ND2 ASN A 69 22.872 11.938 12.077 1.00 22.15 N ATOM 0 H ASN A 69 19.314 9.509 11.331 1.00 15.13 H new ATOM 0 HA ASN A 69 21.445 9.672 11.941 1.00 13.55 H new ATOM 0 HB2 ASN A 69 20.392 11.893 13.022 1.00 2.33 H new ATOM 0 HB3 ASN A 69 20.806 11.083 14.519 1.00 2.33 H new ATOM 0 HD21 ASN A 69 23.830 12.247 11.909 1.00 22.15 H new ATOM 0 HD22 ASN A 69 22.206 11.897 11.305 1.00 22.15 H new ATOM 1010 N GLU A 70 20.326 7.571 13.671 1.00 63.00 N ATOM 1011 CA GLU A 70 20.504 6.425 14.555 1.00 63.24 C ATOM 1012 C GLU A 70 20.296 5.116 13.797 1.00 1.44 C ATOM 1013 O GLU A 70 19.166 4.658 13.627 1.00 3.33 O ATOM 1014 CB GLU A 70 19.531 6.505 15.733 1.00 45.21 C ATOM 1015 CG GLU A 70 20.204 6.828 17.057 1.00 40.44 C ATOM 1016 CD GLU A 70 20.699 8.260 17.125 1.00 22.11 C ATOM 1017 OE1 GLU A 70 19.896 9.179 16.864 1.00 50.45 O ATOM 1018 OE2 GLU A 70 21.891 8.460 17.441 1.00 51.30 O ATOM 0 H GLU A 70 19.591 7.456 12.973 1.00 63.00 H new ATOM 0 HA GLU A 70 21.525 6.447 14.935 1.00 63.24 H new ATOM 0 HB2 GLU A 70 18.780 7.266 15.522 1.00 45.21 H new ATOM 0 HB3 GLU A 70 19.005 5.555 15.824 1.00 45.21 H new ATOM 0 HG2 GLU A 70 19.500 6.652 17.871 1.00 40.44 H new ATOM 0 HG3 GLU A 70 21.044 6.150 17.209 1.00 40.44 H new ATOM 1025 N SER A 71 21.394 4.520 13.344 1.00 4.54 N ATOM 1026 CA SER A 71 21.333 3.267 12.601 1.00 1.33 C ATOM 1027 C SER A 71 22.372 2.277 13.119 1.00 42.30 C ATOM 1028 O SER A 71 23.231 2.629 13.929 1.00 33.31 O ATOM 1029 CB SER A 71 21.555 3.523 11.109 1.00 13.13 C ATOM 1030 OG SER A 71 20.904 4.711 10.693 1.00 12.24 O ATOM 0 H SER A 71 22.337 4.885 13.479 1.00 4.54 H new ATOM 0 HA SER A 71 20.342 2.836 12.745 1.00 1.33 H new ATOM 0 HB2 SER A 71 22.623 3.599 10.905 1.00 13.13 H new ATOM 0 HB3 SER A 71 21.180 2.678 10.532 1.00 13.13 H new ATOM 0 HG SER A 71 21.381 5.488 11.051 1.00 12.24 H new ATOM 1036 N CYS A 72 22.287 1.039 12.646 1.00 45.25 N ATOM 1037 CA CYS A 72 23.219 -0.003 13.060 1.00 24.54 C ATOM 1038 C CYS A 72 24.013 -0.529 11.869 1.00 42.24 C ATOM 1039 O CYS A 72 23.524 -0.538 10.739 1.00 14.23 O ATOM 1040 CB CYS A 72 22.466 -1.152 13.733 1.00 51.12 C ATOM 1041 SG CYS A 72 23.211 -1.718 15.280 1.00 65.54 S ATOM 0 H CYS A 72 21.582 0.732 11.975 1.00 45.25 H new ATOM 0 HA CYS A 72 23.917 0.433 13.774 1.00 24.54 H new ATOM 0 HB2 CYS A 72 21.442 -0.835 13.930 1.00 51.12 H new ATOM 0 HB3 CYS A 72 22.412 -1.992 13.040 1.00 51.12 H new ATOM 0 HG CYS A 72 22.501 -2.689 15.774 1.00 65.54 H new ATOM 1047 N SER A 73 25.242 -0.964 12.128 1.00 31.22 N ATOM 1048 CA SER A 73 26.106 -1.486 11.076 1.00 22.00 C ATOM 1049 C SER A 73 26.632 -2.871 11.442 1.00 42.41 C ATOM 1050 O SER A 73 27.466 -3.014 12.337 1.00 74.44 O ATOM 1051 CB SER A 73 27.277 -0.532 10.828 1.00 34.35 C ATOM 1052 OG SER A 73 27.895 -0.157 12.047 1.00 64.41 O ATOM 0 H SER A 73 25.662 -0.965 13.058 1.00 31.22 H new ATOM 0 HA SER A 73 25.516 -1.570 10.164 1.00 22.00 H new ATOM 0 HB2 SER A 73 28.009 -1.011 10.178 1.00 34.35 H new ATOM 0 HB3 SER A 73 26.922 0.358 10.308 1.00 34.35 H new ATOM 0 HG SER A 73 28.082 -0.958 12.579 1.00 64.41 H new ATOM 1058 N VAL A 74 26.139 -3.888 10.743 1.00 51.01 N ATOM 1059 CA VAL A 74 26.559 -5.262 10.992 1.00 11.31 C ATOM 1060 C VAL A 74 26.464 -6.104 9.725 1.00 52.11 C ATOM 1061 O VAL A 74 25.657 -5.822 8.839 1.00 42.11 O ATOM 1062 CB VAL A 74 25.708 -5.917 12.096 1.00 31.30 C ATOM 1063 CG1 VAL A 74 26.265 -7.286 12.458 1.00 11.40 C ATOM 1064 CG2 VAL A 74 25.641 -5.018 13.321 1.00 25.34 C ATOM 0 H VAL A 74 25.448 -3.786 10.000 1.00 51.01 H new ATOM 0 HA VAL A 74 27.598 -5.221 11.320 1.00 11.31 H new ATOM 0 HB VAL A 74 24.695 -6.052 11.718 1.00 31.30 H new ATOM 0 HG11 VAL A 74 25.651 -7.734 13.240 1.00 11.40 H new ATOM 0 HG12 VAL A 74 26.255 -7.927 11.577 1.00 11.40 H new ATOM 0 HG13 VAL A 74 27.288 -7.179 12.817 1.00 11.40 H new ATOM 0 HG21 VAL A 74 25.036 -5.497 14.091 1.00 25.34 H new ATOM 0 HG22 VAL A 74 26.648 -4.849 13.704 1.00 25.34 H new ATOM 0 HG23 VAL A 74 25.192 -4.063 13.048 1.00 25.34 H new ATOM 1074 N SER A 75 27.293 -7.140 9.646 1.00 50.22 N ATOM 1075 CA SER A 75 27.305 -8.022 8.485 1.00 61.30 C ATOM 1076 C SER A 75 26.187 -9.056 8.577 1.00 53.13 C ATOM 1077 O SER A 75 26.296 -10.042 9.305 1.00 41.11 O ATOM 1078 CB SER A 75 28.658 -8.727 8.368 1.00 70.02 C ATOM 1079 OG SER A 75 28.964 -9.444 9.551 1.00 33.12 O ATOM 0 H SER A 75 27.965 -7.389 10.372 1.00 50.22 H new ATOM 0 HA SER A 75 27.142 -7.414 7.595 1.00 61.30 H new ATOM 0 HB2 SER A 75 28.643 -9.410 7.519 1.00 70.02 H new ATOM 0 HB3 SER A 75 29.439 -7.992 8.172 1.00 70.02 H new ATOM 0 HG SER A 75 28.158 -9.895 9.878 1.00 33.12 H new ATOM 1085 N ALA A 76 25.111 -8.822 7.832 1.00 30.12 N ATOM 1086 CA ALA A 76 23.973 -9.733 7.827 1.00 11.30 C ATOM 1087 C ALA A 76 24.201 -10.892 6.863 1.00 43.55 C ATOM 1088 O ALA A 76 24.892 -10.746 5.855 1.00 43.42 O ATOM 1089 CB ALA A 76 22.699 -8.984 7.463 1.00 4.21 C ATOM 0 H ALA A 76 25.004 -8.010 7.225 1.00 30.12 H new ATOM 0 HA ALA A 76 23.865 -10.145 8.830 1.00 11.30 H new ATOM 0 HB1 ALA A 76 21.857 -9.676 7.463 1.00 4.21 H new ATOM 0 HB2 ALA A 76 22.520 -8.195 8.193 1.00 4.21 H new ATOM 0 HB3 ALA A 76 22.806 -8.544 6.472 1.00 4.21 H new ATOM 1095 N ALA A 77 23.617 -12.043 7.179 1.00 51.53 N ATOM 1096 CA ALA A 77 23.756 -13.226 6.339 1.00 0.11 C ATOM 1097 C ALA A 77 22.492 -13.470 5.521 1.00 24.54 C ATOM 1098 O ALA A 77 21.373 -13.234 5.977 1.00 4.14 O ATOM 1099 CB ALA A 77 24.079 -14.444 7.193 1.00 53.55 C ATOM 0 H ALA A 77 23.043 -12.181 8.011 1.00 51.53 H new ATOM 0 HA ALA A 77 24.578 -13.054 5.645 1.00 0.11 H new ATOM 0 HB1 ALA A 77 24.180 -15.321 6.553 1.00 53.55 H new ATOM 0 HB2 ALA A 77 25.014 -14.276 7.728 1.00 53.55 H new ATOM 0 HB3 ALA A 77 23.275 -14.609 7.910 1.00 53.55 H new ATOM 1105 N PRO A 78 22.672 -13.955 4.284 1.00 41.24 N ATOM 1106 CA PRO A 78 21.557 -14.242 3.376 1.00 1.32 C ATOM 1107 C PRO A 78 20.733 -15.441 3.832 1.00 71.14 C ATOM 1108 O PRO A 78 21.066 -16.097 4.818 1.00 52.03 O ATOM 1109 CB PRO A 78 22.251 -14.544 2.046 1.00 62.02 C ATOM 1110 CG PRO A 78 23.612 -15.016 2.427 1.00 12.21 C ATOM 1111 CD PRO A 78 23.978 -14.260 3.675 1.00 74.33 C ATOM 0 HA PRO A 78 20.850 -13.414 3.324 1.00 1.32 H new ATOM 0 HB2 PRO A 78 21.712 -15.305 1.482 1.00 62.02 H new ATOM 0 HB3 PRO A 78 22.302 -13.656 1.416 1.00 62.02 H new ATOM 0 HG2 PRO A 78 23.616 -16.091 2.607 1.00 12.21 H new ATOM 0 HG3 PRO A 78 24.329 -14.823 1.629 1.00 12.21 H new ATOM 0 HD2 PRO A 78 24.601 -14.859 4.339 1.00 74.33 H new ATOM 0 HD3 PRO A 78 24.536 -13.352 3.446 1.00 74.33 H new ATOM 1119 N GLY A 79 19.655 -15.723 3.106 1.00 52.40 N ATOM 1120 CA GLY A 79 18.800 -16.843 3.451 1.00 20.44 C ATOM 1121 C GLY A 79 17.785 -16.490 4.520 1.00 34.30 C ATOM 1122 O GLY A 79 16.924 -17.302 4.863 1.00 62.01 O ATOM 0 H GLY A 79 19.359 -15.195 2.285 1.00 52.40 H new ATOM 0 HA2 GLY A 79 18.278 -17.186 2.558 1.00 20.44 H new ATOM 0 HA3 GLY A 79 19.416 -17.673 3.799 1.00 20.44 H new ATOM 1126 N THR A 80 17.884 -15.275 5.051 1.00 60.44 N ATOM 1127 CA THR A 80 16.969 -14.817 6.089 1.00 62.44 C ATOM 1128 C THR A 80 16.315 -13.496 5.701 1.00 22.11 C ATOM 1129 O THR A 80 16.999 -12.520 5.390 1.00 73.10 O ATOM 1130 CB THR A 80 17.692 -14.643 7.438 1.00 61.24 C ATOM 1131 OG1 THR A 80 18.463 -15.813 7.735 1.00 41.32 O ATOM 1132 CG2 THR A 80 16.694 -14.389 8.557 1.00 22.44 C ATOM 0 H THR A 80 18.589 -14.590 4.779 1.00 60.44 H new ATOM 0 HA THR A 80 16.200 -15.583 6.194 1.00 62.44 H new ATOM 0 HB THR A 80 18.355 -13.781 7.362 1.00 61.24 H new ATOM 0 HG1 THR A 80 18.921 -15.694 8.593 1.00 41.32 H new ATOM 0 HG21 THR A 80 17.227 -14.269 9.500 1.00 22.44 H new ATOM 0 HG22 THR A 80 16.129 -13.482 8.342 1.00 22.44 H new ATOM 0 HG23 THR A 80 16.009 -15.234 8.632 1.00 22.44 H new ATOM 1140 N THR A 81 14.986 -13.470 5.722 1.00 21.24 N ATOM 1141 CA THR A 81 14.239 -12.268 5.373 1.00 64.41 C ATOM 1142 C THR A 81 14.378 -11.202 6.453 1.00 52.51 C ATOM 1143 O THR A 81 14.319 -11.501 7.646 1.00 42.32 O ATOM 1144 CB THR A 81 12.745 -12.577 5.161 1.00 62.21 C ATOM 1145 OG1 THR A 81 12.597 -13.767 4.378 1.00 42.34 O ATOM 1146 CG2 THR A 81 12.046 -11.417 4.468 1.00 60.41 C ATOM 0 H THR A 81 14.405 -14.268 5.977 1.00 21.24 H new ATOM 0 HA THR A 81 14.660 -11.893 4.440 1.00 64.41 H new ATOM 0 HB THR A 81 12.285 -12.726 6.138 1.00 62.21 H new ATOM 0 HG1 THR A 81 11.644 -13.957 4.249 1.00 42.34 H new ATOM 0 HG21 THR A 81 10.992 -11.658 4.329 1.00 60.41 H new ATOM 0 HG22 THR A 81 12.135 -10.520 5.081 1.00 60.41 H new ATOM 0 HG23 THR A 81 12.509 -11.241 3.497 1.00 60.41 H new ATOM 1154 N TYR A 82 14.561 -9.957 6.028 1.00 41.53 N ATOM 1155 CA TYR A 82 14.710 -8.845 6.959 1.00 14.23 C ATOM 1156 C TYR A 82 13.506 -7.909 6.888 1.00 65.44 C ATOM 1157 O TYR A 82 13.009 -7.600 5.804 1.00 20.43 O ATOM 1158 CB TYR A 82 15.992 -8.068 6.659 1.00 44.25 C ATOM 1159 CG TYR A 82 17.255 -8.856 6.926 1.00 74.22 C ATOM 1160 CD1 TYR A 82 17.475 -9.455 8.160 1.00 14.03 C ATOM 1161 CD2 TYR A 82 18.228 -9.001 5.945 1.00 75.53 C ATOM 1162 CE1 TYR A 82 18.627 -10.176 8.409 1.00 14.34 C ATOM 1163 CE2 TYR A 82 19.382 -9.722 6.184 1.00 13.54 C ATOM 1164 CZ TYR A 82 19.577 -10.306 7.418 1.00 32.53 C ATOM 1165 OH TYR A 82 20.726 -11.023 7.661 1.00 30.45 O ATOM 0 H TYR A 82 14.610 -9.692 5.044 1.00 41.53 H new ATOM 0 HA TYR A 82 14.770 -9.255 7.967 1.00 14.23 H new ATOM 0 HB2 TYR A 82 15.982 -7.757 5.614 1.00 44.25 H new ATOM 0 HB3 TYR A 82 16.006 -7.160 7.262 1.00 44.25 H new ATOM 0 HD1 TYR A 82 16.733 -9.355 8.938 1.00 14.03 H new ATOM 0 HD2 TYR A 82 18.080 -8.542 4.979 1.00 75.53 H new ATOM 0 HE1 TYR A 82 18.783 -10.635 9.374 1.00 14.34 H new ATOM 0 HE2 TYR A 82 20.127 -9.828 5.409 1.00 13.54 H new ATOM 0 HH TYR A 82 20.798 -11.755 7.013 1.00 30.45 H new ATOM 1175 N HIS A 83 13.044 -7.461 8.050 1.00 34.13 N ATOM 1176 CA HIS A 83 11.899 -6.559 8.121 1.00 23.41 C ATOM 1177 C HIS A 83 12.346 -5.140 8.459 1.00 70.15 C ATOM 1178 O HIS A 83 13.458 -4.927 8.941 1.00 43.51 O ATOM 1179 CB HIS A 83 10.898 -7.053 9.166 1.00 71.35 C ATOM 1180 CG HIS A 83 9.839 -7.951 8.603 1.00 63.11 C ATOM 1181 ND1 HIS A 83 10.043 -9.293 8.357 1.00 12.41 N ATOM 1182 CD2 HIS A 83 8.561 -7.693 8.239 1.00 23.11 C ATOM 1183 CE1 HIS A 83 8.936 -9.821 7.865 1.00 43.51 C ATOM 1184 NE2 HIS A 83 8.022 -8.871 7.784 1.00 52.03 N ATOM 0 H HIS A 83 13.444 -7.707 8.955 1.00 34.13 H new ATOM 0 HA HIS A 83 11.416 -6.546 7.144 1.00 23.41 H new ATOM 0 HB2 HIS A 83 11.436 -7.586 9.949 1.00 71.35 H new ATOM 0 HB3 HIS A 83 10.421 -6.193 9.636 1.00 71.35 H new ATOM 0 HD2 HIS A 83 8.059 -6.738 8.296 1.00 23.11 H new ATOM 0 HE1 HIS A 83 8.802 -10.853 7.578 1.00 43.51 H new ATOM 0 HE2 HIS A 83 7.070 -8.993 7.439 1.00 52.03 H new ATOM 1192 N VAL A 84 11.472 -4.173 8.201 1.00 54.41 N ATOM 1193 CA VAL A 84 11.776 -2.774 8.478 1.00 53.34 C ATOM 1194 C VAL A 84 10.594 -2.075 9.140 1.00 32.14 C ATOM 1195 O VAL A 84 9.443 -2.282 8.757 1.00 50.01 O ATOM 1196 CB VAL A 84 12.150 -2.016 7.190 1.00 0.52 C ATOM 1197 CG1 VAL A 84 12.907 -0.739 7.523 1.00 10.12 C ATOM 1198 CG2 VAL A 84 12.969 -2.905 6.267 1.00 31.43 C ATOM 0 H VAL A 84 10.548 -4.332 7.801 1.00 54.41 H new ATOM 0 HA VAL A 84 12.628 -2.764 9.158 1.00 53.34 H new ATOM 0 HB VAL A 84 11.232 -1.741 6.671 1.00 0.52 H new ATOM 0 HG11 VAL A 84 13.163 -0.217 6.601 1.00 10.12 H new ATOM 0 HG12 VAL A 84 12.281 -0.096 8.142 1.00 10.12 H new ATOM 0 HG13 VAL A 84 13.820 -0.988 8.064 1.00 10.12 H new ATOM 0 HG21 VAL A 84 13.224 -2.353 5.362 1.00 31.43 H new ATOM 0 HG22 VAL A 84 13.883 -3.212 6.775 1.00 31.43 H new ATOM 0 HG23 VAL A 84 12.387 -3.788 6.002 1.00 31.43 H new ATOM 1208 N MET A 85 10.887 -1.246 10.137 1.00 34.53 N ATOM 1209 CA MET A 85 9.847 -0.515 10.853 1.00 64.21 C ATOM 1210 C MET A 85 10.299 0.909 11.161 1.00 32.11 C ATOM 1211 O MET A 85 11.317 1.118 11.822 1.00 73.22 O ATOM 1212 CB MET A 85 9.485 -1.240 12.151 1.00 65.03 C ATOM 1213 CG MET A 85 7.998 -1.221 12.463 1.00 72.54 C ATOM 1214 SD MET A 85 7.025 -2.149 11.261 1.00 33.32 S ATOM 1215 CE MET A 85 7.897 -3.714 11.255 1.00 53.20 C ATOM 0 H MET A 85 11.835 -1.064 10.467 1.00 34.53 H new ATOM 0 HA MET A 85 8.965 -0.468 10.214 1.00 64.21 H new ATOM 0 HB2 MET A 85 9.821 -2.275 12.085 1.00 65.03 H new ATOM 0 HB3 MET A 85 10.027 -0.781 12.978 1.00 65.03 H new ATOM 0 HG2 MET A 85 7.834 -1.637 13.457 1.00 72.54 H new ATOM 0 HG3 MET A 85 7.649 -0.189 12.488 1.00 72.54 H new ATOM 0 HE1 MET A 85 7.218 -4.507 10.941 1.00 53.20 H new ATOM 0 HE2 MET A 85 8.737 -3.660 10.562 1.00 53.20 H new ATOM 0 HE3 MET A 85 8.267 -3.928 12.258 1.00 53.20 H new ATOM 1225 N ILE A 86 9.536 1.884 10.678 1.00 20.05 N ATOM 1226 CA ILE A 86 9.858 3.288 10.904 1.00 61.43 C ATOM 1227 C ILE A 86 8.746 3.990 11.676 1.00 62.24 C ATOM 1228 O ILE A 86 7.637 4.162 11.170 1.00 32.31 O ATOM 1229 CB ILE A 86 10.094 4.031 9.576 1.00 44.13 C ATOM 1230 CG1 ILE A 86 11.018 3.217 8.667 1.00 33.43 C ATOM 1231 CG2 ILE A 86 10.682 5.410 9.838 1.00 73.21 C ATOM 1232 CD1 ILE A 86 12.410 3.034 9.229 1.00 44.11 C ATOM 0 H ILE A 86 8.691 1.728 10.128 1.00 20.05 H new ATOM 0 HA ILE A 86 10.775 3.311 11.492 1.00 61.43 H new ATOM 0 HB ILE A 86 9.136 4.155 9.071 1.00 44.13 H new ATOM 0 HG12 ILE A 86 10.573 2.237 8.494 1.00 33.43 H new ATOM 0 HG13 ILE A 86 11.088 3.711 7.698 1.00 33.43 H new ATOM 0 HG21 ILE A 86 10.843 5.923 8.890 1.00 73.21 H new ATOM 0 HG22 ILE A 86 9.992 5.989 10.451 1.00 73.21 H new ATOM 0 HG23 ILE A 86 11.633 5.307 10.361 1.00 73.21 H new ATOM 0 HD11 ILE A 86 13.010 2.448 8.532 1.00 44.11 H new ATOM 0 HD12 ILE A 86 12.874 4.009 9.376 1.00 44.11 H new ATOM 0 HD13 ILE A 86 12.351 2.513 10.184 1.00 44.11 H new ATOM 1244 N LYS A 87 9.051 4.396 12.903 1.00 22.35 N ATOM 1245 CA LYS A 87 8.080 5.083 13.746 1.00 34.21 C ATOM 1246 C LYS A 87 8.314 6.590 13.729 1.00 71.13 C ATOM 1247 O LYS A 87 9.422 7.053 13.461 1.00 72.42 O ATOM 1248 CB LYS A 87 8.159 4.560 15.182 1.00 4.12 C ATOM 1249 CG LYS A 87 7.785 3.094 15.318 1.00 42.24 C ATOM 1250 CD LYS A 87 6.411 2.813 14.733 1.00 44.04 C ATOM 1251 CE LYS A 87 5.329 3.611 15.444 1.00 71.34 C ATOM 1252 NZ LYS A 87 5.438 3.497 16.924 1.00 22.33 N ATOM 0 H LYS A 87 9.964 4.261 13.337 1.00 22.35 H new ATOM 0 HA LYS A 87 7.085 4.883 13.348 1.00 34.21 H new ATOM 0 HB2 LYS A 87 9.172 4.704 15.557 1.00 4.12 H new ATOM 0 HB3 LYS A 87 7.498 5.155 15.813 1.00 4.12 H new ATOM 0 HG2 LYS A 87 8.530 2.479 14.812 1.00 42.24 H new ATOM 0 HG3 LYS A 87 7.799 2.810 16.370 1.00 42.24 H new ATOM 0 HD2 LYS A 87 6.409 3.060 13.671 1.00 44.04 H new ATOM 0 HD3 LYS A 87 6.191 1.748 14.813 1.00 44.04 H new ATOM 0 HE2 LYS A 87 5.401 4.659 15.154 1.00 71.34 H new ATOM 0 HE3 LYS A 87 4.348 3.259 15.124 1.00 71.34 H new ATOM 0 HZ1 LYS A 87 4.557 3.832 17.364 1.00 22.33 H new ATOM 0 HZ2 LYS A 87 5.599 2.503 17.185 1.00 22.33 H new ATOM 0 HZ3 LYS A 87 6.234 4.076 17.259 1.00 22.33 H new ATOM 1266 N GLY A 88 7.263 7.351 14.018 1.00 52.31 N ATOM 1267 CA GLY A 88 7.376 8.798 14.031 1.00 11.02 C ATOM 1268 C GLY A 88 7.209 9.380 15.421 1.00 73.12 C ATOM 1269 O GLY A 88 6.548 8.787 16.274 1.00 12.41 O ATOM 0 H GLY A 88 6.335 6.992 14.243 1.00 52.31 H new ATOM 0 HA2 GLY A 88 8.349 9.087 13.634 1.00 11.02 H new ATOM 0 HA3 GLY A 88 6.622 9.224 13.369 1.00 11.02 H new ATOM 1273 N TYR A 89 7.810 10.542 15.650 1.00 53.12 N ATOM 1274 CA TYR A 89 7.728 11.202 16.947 1.00 13.43 C ATOM 1275 C TYR A 89 7.038 12.558 16.826 1.00 21.11 C ATOM 1276 O TYR A 89 6.512 13.089 17.804 1.00 3.11 O ATOM 1277 CB TYR A 89 9.126 11.380 17.542 1.00 52.22 C ATOM 1278 CG TYR A 89 9.219 10.986 18.999 1.00 50.15 C ATOM 1279 CD1 TYR A 89 8.344 11.517 19.939 1.00 24.51 C ATOM 1280 CD2 TYR A 89 10.182 10.084 19.435 1.00 52.54 C ATOM 1281 CE1 TYR A 89 8.426 11.160 21.271 1.00 21.03 C ATOM 1282 CE2 TYR A 89 10.270 9.721 20.764 1.00 12.15 C ATOM 1283 CZ TYR A 89 9.390 10.262 21.679 1.00 60.41 C ATOM 1284 OH TYR A 89 9.475 9.903 23.005 1.00 45.32 O ATOM 0 H TYR A 89 8.359 11.046 14.954 1.00 53.12 H new ATOM 0 HA TYR A 89 7.136 10.571 17.610 1.00 13.43 H new ATOM 0 HB2 TYR A 89 9.835 10.784 16.967 1.00 52.22 H new ATOM 0 HB3 TYR A 89 9.427 12.422 17.436 1.00 52.22 H new ATOM 0 HD1 TYR A 89 7.588 12.220 19.623 1.00 24.51 H new ATOM 0 HD2 TYR A 89 10.873 9.660 18.722 1.00 52.54 H new ATOM 0 HE1 TYR A 89 7.739 11.582 21.989 1.00 21.03 H new ATOM 0 HE2 TYR A 89 11.023 9.017 21.086 1.00 12.15 H new ATOM 0 HH TYR A 89 10.206 9.262 23.124 1.00 45.32 H new ATOM 1294 N SER A 90 7.044 13.112 15.618 1.00 64.32 N ATOM 1295 CA SER A 90 6.423 14.407 15.367 1.00 32.23 C ATOM 1296 C SER A 90 6.465 14.752 13.882 1.00 64.43 C ATOM 1297 O SER A 90 7.494 14.593 13.226 1.00 70.21 O ATOM 1298 CB SER A 90 7.126 15.499 16.176 1.00 33.42 C ATOM 1299 OG SER A 90 8.151 16.115 15.417 1.00 3.33 O ATOM 0 H SER A 90 7.472 12.684 14.797 1.00 64.32 H new ATOM 0 HA SER A 90 5.380 14.348 15.679 1.00 32.23 H new ATOM 0 HB2 SER A 90 6.400 16.249 16.488 1.00 33.42 H new ATOM 0 HB3 SER A 90 7.550 15.068 17.083 1.00 33.42 H new ATOM 0 HG SER A 90 8.655 15.429 14.931 1.00 3.33 H new ATOM 1305 N ASN A 91 5.339 15.224 13.358 1.00 41.50 N ATOM 1306 CA ASN A 91 5.246 15.592 11.950 1.00 63.44 C ATOM 1307 C ASN A 91 6.583 16.117 11.435 1.00 22.40 C ATOM 1308 O ASN A 91 6.985 17.237 11.750 1.00 31.14 O ATOM 1309 CB ASN A 91 4.159 16.649 11.747 1.00 34.52 C ATOM 1310 CG ASN A 91 4.035 17.081 10.299 1.00 42.20 C ATOM 1311 OD1 ASN A 91 4.555 16.424 9.397 1.00 53.12 O ATOM 1312 ND2 ASN A 91 3.345 18.192 10.070 1.00 10.44 N ATOM 0 H ASN A 91 4.478 15.361 13.887 1.00 41.50 H new ATOM 0 HA ASN A 91 4.984 14.698 11.384 1.00 63.44 H new ATOM 0 HB2 ASN A 91 3.203 16.253 12.088 1.00 34.52 H new ATOM 0 HB3 ASN A 91 4.382 17.519 12.365 1.00 34.52 H new ATOM 0 HD21 ASN A 91 3.229 18.533 9.116 1.00 10.44 H new ATOM 0 HD22 ASN A 91 2.931 18.705 10.848 1.00 10.44 H new ATOM 1319 N TYR A 92 7.267 15.300 10.641 1.00 10.03 N ATOM 1320 CA TYR A 92 8.559 15.681 10.084 1.00 25.21 C ATOM 1321 C TYR A 92 8.942 14.769 8.923 1.00 61.54 C ATOM 1322 O TYR A 92 9.131 13.565 9.100 1.00 44.20 O ATOM 1323 CB TYR A 92 9.640 15.629 11.166 1.00 70.54 C ATOM 1324 CG TYR A 92 10.863 16.456 10.840 1.00 31.01 C ATOM 1325 CD1 TYR A 92 11.814 15.999 9.936 1.00 41.41 C ATOM 1326 CD2 TYR A 92 11.068 17.694 11.437 1.00 31.53 C ATOM 1327 CE1 TYR A 92 12.933 16.752 9.636 1.00 64.51 C ATOM 1328 CE2 TYR A 92 12.183 18.453 11.142 1.00 4.03 C ATOM 1329 CZ TYR A 92 13.113 17.978 10.241 1.00 23.22 C ATOM 1330 OH TYR A 92 14.227 18.731 9.946 1.00 75.33 O ATOM 0 H TYR A 92 6.948 14.370 10.369 1.00 10.03 H new ATOM 0 HA TYR A 92 8.478 16.701 9.709 1.00 25.21 H new ATOM 0 HB2 TYR A 92 9.217 15.978 12.108 1.00 70.54 H new ATOM 0 HB3 TYR A 92 9.942 14.593 11.317 1.00 70.54 H new ATOM 0 HD1 TYR A 92 11.676 15.039 9.460 1.00 41.41 H new ATOM 0 HD2 TYR A 92 10.343 18.069 12.144 1.00 31.53 H new ATOM 0 HE1 TYR A 92 13.663 16.382 8.931 1.00 64.51 H new ATOM 0 HE2 TYR A 92 12.326 19.414 11.614 1.00 4.03 H new ATOM 0 HH TYR A 92 14.201 19.567 10.456 1.00 75.33 H new ATOM 1340 N SER A 93 9.055 15.351 7.733 1.00 14.33 N ATOM 1341 CA SER A 93 9.411 14.592 6.541 1.00 65.13 C ATOM 1342 C SER A 93 10.679 15.150 5.900 1.00 12.13 C ATOM 1343 O SER A 93 10.977 16.338 6.020 1.00 72.35 O ATOM 1344 CB SER A 93 8.262 14.618 5.531 1.00 24.30 C ATOM 1345 OG SER A 93 7.629 15.885 5.512 1.00 54.11 O ATOM 0 H SER A 93 8.905 16.347 7.569 1.00 14.33 H new ATOM 0 HA SER A 93 9.599 13.561 6.840 1.00 65.13 H new ATOM 0 HB2 SER A 93 8.642 14.383 4.537 1.00 24.30 H new ATOM 0 HB3 SER A 93 7.534 13.848 5.784 1.00 24.30 H new ATOM 0 HG SER A 93 6.900 15.876 4.858 1.00 54.11 H new ATOM 1351 N GLY A 94 11.422 14.283 5.220 1.00 61.42 N ATOM 1352 CA GLY A 94 12.649 14.706 4.570 1.00 12.24 C ATOM 1353 C GLY A 94 13.858 13.928 5.051 1.00 74.35 C ATOM 1354 O GLY A 94 14.975 14.444 5.057 1.00 63.24 O ATOM 0 H GLY A 94 11.196 13.295 5.107 1.00 61.42 H new ATOM 0 HA2 GLY A 94 12.547 14.582 3.492 1.00 12.24 H new ATOM 0 HA3 GLY A 94 12.807 15.768 4.755 1.00 12.24 H new ATOM 1358 N VAL A 95 13.634 12.682 5.456 1.00 23.40 N ATOM 1359 CA VAL A 95 14.714 11.830 5.941 1.00 41.40 C ATOM 1360 C VAL A 95 14.954 10.657 4.998 1.00 22.43 C ATOM 1361 O VAL A 95 14.020 10.130 4.393 1.00 52.11 O ATOM 1362 CB VAL A 95 14.412 11.289 7.351 1.00 72.21 C ATOM 1363 CG1 VAL A 95 15.697 10.876 8.052 1.00 43.34 C ATOM 1364 CG2 VAL A 95 13.658 12.326 8.169 1.00 0.23 C ATOM 0 H VAL A 95 12.715 12.240 5.458 1.00 23.40 H new ATOM 0 HA VAL A 95 15.611 12.448 5.982 1.00 41.40 H new ATOM 0 HB VAL A 95 13.780 10.406 7.254 1.00 72.21 H new ATOM 0 HG11 VAL A 95 15.463 10.496 9.047 1.00 43.34 H new ATOM 0 HG12 VAL A 95 16.193 10.096 7.473 1.00 43.34 H new ATOM 0 HG13 VAL A 95 16.357 11.739 8.139 1.00 43.34 H new ATOM 0 HG21 VAL A 95 13.453 11.927 9.162 1.00 0.23 H new ATOM 0 HG22 VAL A 95 14.262 13.229 8.258 1.00 0.23 H new ATOM 0 HG23 VAL A 95 12.717 12.567 7.673 1.00 0.23 H new ATOM 1374 N THR A 96 16.214 10.249 4.878 1.00 40.20 N ATOM 1375 CA THR A 96 16.578 9.138 4.009 1.00 61.35 C ATOM 1376 C THR A 96 16.792 7.859 4.811 1.00 40.32 C ATOM 1377 O THR A 96 17.671 7.794 5.671 1.00 21.31 O ATOM 1378 CB THR A 96 17.856 9.447 3.207 1.00 45.03 C ATOM 1379 OG1 THR A 96 17.910 10.842 2.889 1.00 54.24 O ATOM 1380 CG2 THR A 96 17.904 8.627 1.926 1.00 14.50 C ATOM 0 H THR A 96 16.999 10.672 5.372 1.00 40.20 H new ATOM 0 HA THR A 96 15.749 8.995 3.316 1.00 61.35 H new ATOM 0 HB THR A 96 18.716 9.181 3.821 1.00 45.03 H new ATOM 0 HG1 THR A 96 18.726 11.030 2.381 1.00 54.24 H new ATOM 0 HG21 THR A 96 18.816 8.863 1.377 1.00 14.50 H new ATOM 0 HG22 THR A 96 17.893 7.565 2.173 1.00 14.50 H new ATOM 0 HG23 THR A 96 17.037 8.865 1.309 1.00 14.50 H new ATOM 1388 N LEU A 97 15.984 6.844 4.524 1.00 1.51 N ATOM 1389 CA LEU A 97 16.086 5.566 5.219 1.00 34.21 C ATOM 1390 C LEU A 97 16.591 4.475 4.281 1.00 62.32 C ATOM 1391 O LEU A 97 16.047 4.273 3.195 1.00 32.21 O ATOM 1392 CB LEU A 97 14.726 5.168 5.797 1.00 24.21 C ATOM 1393 CG LEU A 97 14.562 3.695 6.173 1.00 62.22 C ATOM 1394 CD1 LEU A 97 14.305 2.853 4.933 1.00 54.14 C ATOM 1395 CD2 LEU A 97 15.793 3.193 6.914 1.00 32.00 C ATOM 0 H LEU A 97 15.251 6.881 3.815 1.00 1.51 H new ATOM 0 HA LEU A 97 16.802 5.679 6.033 1.00 34.21 H new ATOM 0 HB2 LEU A 97 14.540 5.772 6.685 1.00 24.21 H new ATOM 0 HB3 LEU A 97 13.955 5.425 5.070 1.00 24.21 H new ATOM 0 HG LEU A 97 13.701 3.603 6.835 1.00 62.22 H new ATOM 0 HD11 LEU A 97 14.191 1.808 5.220 1.00 54.14 H new ATOM 0 HD12 LEU A 97 13.394 3.196 4.443 1.00 54.14 H new ATOM 0 HD13 LEU A 97 15.146 2.951 4.246 1.00 54.14 H new ATOM 0 HD21 LEU A 97 15.658 2.143 7.174 1.00 32.00 H new ATOM 0 HD22 LEU A 97 16.670 3.299 6.276 1.00 32.00 H new ATOM 0 HD23 LEU A 97 15.933 3.777 7.824 1.00 32.00 H new ATOM 1407 N LYS A 98 17.635 3.772 4.707 1.00 32.43 N ATOM 1408 CA LYS A 98 18.213 2.698 3.908 1.00 71.10 C ATOM 1409 C LYS A 98 18.493 1.470 4.768 1.00 24.21 C ATOM 1410 O LYS A 98 18.448 1.536 5.997 1.00 15.42 O ATOM 1411 CB LYS A 98 19.505 3.171 3.239 1.00 4.31 C ATOM 1412 CG LYS A 98 19.990 2.251 2.132 1.00 31.23 C ATOM 1413 CD LYS A 98 20.578 3.036 0.972 1.00 73.24 C ATOM 1414 CE LYS A 98 21.545 4.105 1.455 1.00 24.00 C ATOM 1415 NZ LYS A 98 22.734 4.221 0.565 1.00 31.43 N ATOM 0 H LYS A 98 18.099 3.927 5.602 1.00 32.43 H new ATOM 0 HA LYS A 98 17.492 2.423 3.138 1.00 71.10 H new ATOM 0 HB2 LYS A 98 19.347 4.168 2.828 1.00 4.31 H new ATOM 0 HB3 LYS A 98 20.285 3.258 3.995 1.00 4.31 H new ATOM 0 HG2 LYS A 98 20.741 1.568 2.528 1.00 31.23 H new ATOM 0 HG3 LYS A 98 19.160 1.640 1.776 1.00 31.23 H new ATOM 0 HD2 LYS A 98 21.095 2.355 0.296 1.00 73.24 H new ATOM 0 HD3 LYS A 98 19.774 3.502 0.402 1.00 73.24 H new ATOM 0 HE2 LYS A 98 21.031 5.065 1.501 1.00 24.00 H new ATOM 0 HE3 LYS A 98 21.871 3.869 2.468 1.00 24.00 H new ATOM 0 HZ1 LYS A 98 23.369 4.960 0.928 1.00 31.43 H new ATOM 0 HZ2 LYS A 98 23.239 3.312 0.540 1.00 31.43 H new ATOM 0 HZ3 LYS A 98 22.425 4.472 -0.396 1.00 31.43 H new ATOM 1429 N LEU A 99 18.785 0.350 4.115 1.00 2.33 N ATOM 1430 CA LEU A 99 19.075 -0.893 4.821 1.00 62.33 C ATOM 1431 C LEU A 99 20.559 -0.995 5.157 1.00 24.14 C ATOM 1432 O LEU A 99 21.414 -0.610 4.360 1.00 73.34 O ATOM 1433 CB LEU A 99 18.649 -2.094 3.974 1.00 21.13 C ATOM 1434 CG LEU A 99 19.749 -3.101 3.636 1.00 41.22 C ATOM 1435 CD1 LEU A 99 19.146 -4.452 3.283 1.00 41.31 C ATOM 1436 CD2 LEU A 99 20.611 -2.585 2.493 1.00 42.40 C ATOM 0 H LEU A 99 18.827 0.277 3.098 1.00 2.33 H new ATOM 0 HA LEU A 99 18.510 -0.893 5.753 1.00 62.33 H new ATOM 0 HB2 LEU A 99 17.852 -2.620 4.500 1.00 21.13 H new ATOM 0 HB3 LEU A 99 18.225 -1.723 3.041 1.00 21.13 H new ATOM 0 HG LEU A 99 20.382 -3.227 4.514 1.00 41.22 H new ATOM 0 HD11 LEU A 99 19.944 -5.156 3.045 1.00 41.31 H new ATOM 0 HD12 LEU A 99 18.572 -4.827 4.130 1.00 41.31 H new ATOM 0 HD13 LEU A 99 18.489 -4.343 2.420 1.00 41.31 H new ATOM 0 HD21 LEU A 99 21.389 -3.314 2.266 1.00 42.40 H new ATOM 0 HD22 LEU A 99 19.990 -2.430 1.611 1.00 42.40 H new ATOM 0 HD23 LEU A 99 21.072 -1.641 2.783 1.00 42.40 H new ATOM 1448 N GLN A 100 20.858 -1.517 6.343 1.00 74.44 N ATOM 1449 CA GLN A 100 22.239 -1.671 6.783 1.00 31.15 C ATOM 1450 C GLN A 100 22.692 -3.122 6.658 1.00 42.20 C ATOM 1451 O GLN A 100 22.226 -3.994 7.391 1.00 33.11 O ATOM 1452 CB GLN A 100 22.390 -1.201 8.231 1.00 12.41 C ATOM 1453 CG GLN A 100 21.331 -1.762 9.167 1.00 65.22 C ATOM 1454 CD GLN A 100 20.038 -0.973 9.125 1.00 12.03 C ATOM 1455 OE1 GLN A 100 19.001 -1.480 8.696 1.00 62.13 O ATOM 1456 NE2 GLN A 100 20.091 0.276 9.573 1.00 3.00 N ATOM 0 H GLN A 100 20.162 -1.840 7.015 1.00 74.44 H new ATOM 0 HA GLN A 100 22.869 -1.056 6.140 1.00 31.15 H new ATOM 0 HB2 GLN A 100 23.376 -1.489 8.597 1.00 12.41 H new ATOM 0 HB3 GLN A 100 22.346 -0.112 8.257 1.00 12.41 H new ATOM 0 HG2 GLN A 100 21.128 -2.799 8.900 1.00 65.22 H new ATOM 0 HG3 GLN A 100 21.717 -1.765 10.186 1.00 65.22 H new ATOM 0 HE21 GLN A 100 20.972 0.656 9.920 1.00 3.00 H new ATOM 0 HE22 GLN A 100 19.251 0.855 9.570 1.00 3.00 H new ATOM 1465 N TYR A 101 23.603 -3.373 5.725 1.00 44.04 N ATOM 1466 CA TYR A 101 24.118 -4.719 5.501 1.00 13.11 C ATOM 1467 C TYR A 101 25.549 -4.847 6.013 1.00 21.13 C ATOM 1468 O TYR A 101 26.037 -5.951 6.250 1.00 3.30 O ATOM 1469 CB TYR A 101 24.064 -5.068 4.013 1.00 53.53 C ATOM 1470 CG TYR A 101 24.088 -6.554 3.738 1.00 64.12 C ATOM 1471 CD1 TYR A 101 23.399 -7.443 4.553 1.00 14.35 C ATOM 1472 CD2 TYR A 101 24.802 -7.070 2.663 1.00 21.23 C ATOM 1473 CE1 TYR A 101 23.419 -8.802 4.307 1.00 52.13 C ATOM 1474 CE2 TYR A 101 24.827 -8.428 2.408 1.00 13.41 C ATOM 1475 CZ TYR A 101 24.134 -9.289 3.233 1.00 73.34 C ATOM 1476 OH TYR A 101 24.157 -10.642 2.983 1.00 71.35 O ATOM 0 H TYR A 101 24.001 -2.662 5.111 1.00 44.04 H new ATOM 0 HA TYR A 101 23.490 -5.417 6.054 1.00 13.11 H new ATOM 0 HB2 TYR A 101 23.158 -4.642 3.581 1.00 53.53 H new ATOM 0 HB3 TYR A 101 24.909 -4.600 3.508 1.00 53.53 H new ATOM 0 HD1 TYR A 101 22.837 -7.065 5.394 1.00 14.35 H new ATOM 0 HD2 TYR A 101 25.347 -6.398 2.016 1.00 21.23 H new ATOM 0 HE1 TYR A 101 22.878 -9.479 4.952 1.00 52.13 H new ATOM 0 HE2 TYR A 101 25.386 -8.813 1.568 1.00 13.41 H new ATOM 0 HH TYR A 101 24.179 -10.796 2.015 1.00 71.35 H new TER 1486 TYR A 101