USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1031 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 33 ASN : amide:sc= -0.065 K(o=-2.9,f=0.88) USER MOD Set 1.2: A 59 ASN : amide:sc= -2.87! K(o=-2.9!,f=0.88) USER MOD Set 2.1: A 9 THR OG1 : rot -115:sc= 0.0713 USER MOD Set 2.2: A 11 ASN : amide:sc=-0.00074 X(o=-1.4,f=-1.8) USER MOD Set 2.3: A 83 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.9!) USER MOD Set 3.1: A 10 ASN : amide:sc= 0.231 K(o=-0.58,f=-1.4) USER MOD Set 3.2: A 85 GLN : amide:sc= -0.81! C(o=-0.58!,f=-2.5!) USER MOD Single : A 2 LYS NZ :NH3+ 152:sc= 0.698 (180deg=0.0693) USER MOD Single : A 8 ASN : amide:sc= 0.576 K(o=0.58,f=-0.015) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= -0.0265 (180deg=-0.0416) USER MOD Single : A 19 LYS NZ :NH3+ -148:sc= -0.784 (180deg=-1.18!) USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00182) USER MOD Single : A 24 ASN : amide:sc= -0.69 K(o=-0.69,f=-0.076) USER MOD Single : A 25 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.036) USER MOD Single : A 27 TYR OH : rot 40:sc= -0.983 USER MOD Single : A 28 GLN : amide:sc=-0.00445 X(o=-0.0045,f=-0.0045) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= 0.0254 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.112) USER MOD Single : A 42 MET CE :methyl 160:sc= -1.13 (180deg=-1.57) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc=-0.000344 (180deg=-0.0978) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= -0.0186 (180deg=-0.0666) USER MOD Single : A 58 SER OG : rot -98:sc= 0.25 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 130:sc= -1.18 (180deg=-2.74) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -112:sc= 1.14 (180deg=-0.319) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0652 K(o=-0.065,f=-1.9!) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00347) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.336 K(o=-0.34,f=-0.9) USER MOD Single : A 102 TYR OH : rot -105:sc= 0.892 USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= 0.851 (180deg=0.634) USER MOD Single : A 108 THR OG1 : rot 63:sc= 0.12 USER MOD Single : A 115 LYS NZ :NH3+ -133:sc= 0.48 (180deg=0.13) USER MOD Single : A 121 MET CE :methyl -169:sc= -1.39 (180deg=-1.78) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 1.764 6.645 13.713 1.00 52.52 N ATOM 21 CA LYS A 2 2.331 5.399 13.158 1.00 64.21 C ATOM 22 C LYS A 2 2.404 5.490 11.624 1.00 2.50 C ATOM 23 O LYS A 2 1.872 6.434 11.022 1.00 13.43 O ATOM 24 CB LYS A 2 1.483 4.177 13.620 1.00 13.11 C ATOM 25 CG LYS A 2 0.018 4.173 13.125 1.00 2.34 C ATOM 26 CD LYS A 2 -0.927 3.323 14.007 1.00 51.21 C ATOM 27 CE LYS A 2 -0.612 1.824 14.010 1.00 61.03 C ATOM 28 NZ LYS A 2 -1.546 1.096 14.911 1.00 53.21 N ATOM 0 HA LYS A 2 3.346 5.263 13.532 1.00 64.21 H new ATOM 0 HB2 LYS A 2 1.970 3.265 13.275 1.00 13.11 H new ATOM 0 HB3 LYS A 2 1.483 4.145 14.710 1.00 13.11 H new ATOM 0 HG2 LYS A 2 -0.350 5.199 13.095 1.00 2.34 H new ATOM 0 HG3 LYS A 2 -0.011 3.794 12.104 1.00 2.34 H new ATOM 0 HD2 LYS A 2 -0.880 3.694 15.031 1.00 51.21 H new ATOM 0 HD3 LYS A 2 -1.951 3.466 13.663 1.00 51.21 H new ATOM 0 HE2 LYS A 2 -0.691 1.428 12.998 1.00 61.03 H new ATOM 0 HE3 LYS A 2 0.416 1.663 14.335 1.00 61.03 H new ATOM 0 HZ1 LYS A 2 -1.661 0.118 14.575 1.00 53.21 H new ATOM 0 HZ2 LYS A 2 -1.161 1.087 15.877 1.00 53.21 H new ATOM 0 HZ3 LYS A 2 -2.470 1.573 14.911 1.00 53.21 H new ATOM 42 N ILE A 3 3.073 4.506 11.006 1.00 3.40 N ATOM 43 CA ILE A 3 3.287 4.456 9.547 1.00 11.12 C ATOM 44 C ILE A 3 2.455 3.316 8.952 1.00 0.45 C ATOM 45 O ILE A 3 2.415 2.220 9.513 1.00 62.24 O ATOM 46 CB ILE A 3 4.805 4.234 9.211 1.00 14.10 C ATOM 47 CG1 ILE A 3 5.679 5.329 9.902 1.00 43.45 C ATOM 48 CG2 ILE A 3 5.045 4.209 7.676 1.00 62.13 C ATOM 49 CD1 ILE A 3 7.173 5.107 9.796 1.00 64.54 C ATOM 0 H ILE A 3 3.484 3.717 11.504 1.00 3.40 H new ATOM 0 HA ILE A 3 2.976 5.407 9.115 1.00 11.12 H new ATOM 0 HB ILE A 3 5.103 3.261 9.602 1.00 14.10 H new ATOM 0 HG12 ILE A 3 5.437 6.297 9.464 1.00 43.45 H new ATOM 0 HG13 ILE A 3 5.407 5.380 10.956 1.00 43.45 H new ATOM 0 HG21 ILE A 3 6.105 4.054 7.476 1.00 62.13 H new ATOM 0 HG22 ILE A 3 4.469 3.398 7.231 1.00 62.13 H new ATOM 0 HG23 ILE A 3 4.729 5.158 7.243 1.00 62.13 H new ATOM 0 HD11 ILE A 3 7.698 5.916 10.304 1.00 64.54 H new ATOM 0 HD12 ILE A 3 7.434 4.157 10.262 1.00 64.54 H new ATOM 0 HD13 ILE A 3 7.464 5.088 8.746 1.00 64.54 H new ATOM 61 N LEU A 4 1.778 3.591 7.827 1.00 75.23 N ATOM 62 CA LEU A 4 1.008 2.587 7.070 1.00 12.54 C ATOM 63 C LEU A 4 1.566 2.511 5.635 1.00 62.24 C ATOM 64 O LEU A 4 1.970 3.520 5.067 1.00 74.40 O ATOM 65 CB LEU A 4 -0.510 2.939 7.087 1.00 4.01 C ATOM 66 CG LEU A 4 -1.167 3.083 8.506 1.00 2.14 C ATOM 67 CD1 LEU A 4 -2.664 3.416 8.411 1.00 64.03 C ATOM 68 CD2 LEU A 4 -0.946 1.828 9.378 1.00 1.23 C ATOM 0 H LEU A 4 1.748 4.522 7.412 1.00 75.23 H new ATOM 0 HA LEU A 4 1.111 1.606 7.535 1.00 12.54 H new ATOM 0 HB2 LEU A 4 -0.652 3.875 6.546 1.00 4.01 H new ATOM 0 HB3 LEU A 4 -1.048 2.168 6.536 1.00 4.01 H new ATOM 0 HG LEU A 4 -0.665 3.919 8.993 1.00 2.14 H new ATOM 0 HD11 LEU A 4 -3.081 3.507 9.414 1.00 64.03 H new ATOM 0 HD12 LEU A 4 -2.794 4.357 7.877 1.00 64.03 H new ATOM 0 HD13 LEU A 4 -3.180 2.620 7.874 1.00 64.03 H new ATOM 0 HD21 LEU A 4 -1.417 1.973 10.350 1.00 1.23 H new ATOM 0 HD22 LEU A 4 -1.387 0.961 8.886 1.00 1.23 H new ATOM 0 HD23 LEU A 4 0.123 1.663 9.514 1.00 1.23 H new ATOM 80 N ILE A 5 1.644 1.294 5.077 1.00 60.11 N ATOM 81 CA ILE A 5 2.145 1.056 3.707 1.00 11.24 C ATOM 82 C ILE A 5 1.047 0.328 2.924 1.00 3.45 C ATOM 83 O ILE A 5 0.766 -0.837 3.199 1.00 53.14 O ATOM 84 CB ILE A 5 3.458 0.177 3.687 1.00 32.11 C ATOM 85 CG1 ILE A 5 4.539 0.723 4.671 1.00 3.02 C ATOM 86 CG2 ILE A 5 4.034 0.052 2.248 1.00 43.24 C ATOM 87 CD1 ILE A 5 5.126 2.076 4.331 1.00 33.41 C ATOM 0 H ILE A 5 1.362 0.442 5.561 1.00 60.11 H new ATOM 0 HA ILE A 5 2.393 2.019 3.261 1.00 11.24 H new ATOM 0 HB ILE A 5 3.178 -0.820 4.028 1.00 32.11 H new ATOM 0 HG12 ILE A 5 4.099 0.780 5.667 1.00 3.02 H new ATOM 0 HG13 ILE A 5 5.352 -0.001 4.723 1.00 3.02 H new ATOM 0 HG21 ILE A 5 4.937 -0.559 2.269 1.00 43.24 H new ATOM 0 HG22 ILE A 5 3.294 -0.417 1.599 1.00 43.24 H new ATOM 0 HG23 ILE A 5 4.276 1.044 1.865 1.00 43.24 H new ATOM 0 HD11 ILE A 5 5.865 2.352 5.084 1.00 33.41 H new ATOM 0 HD12 ILE A 5 5.605 2.030 3.353 1.00 33.41 H new ATOM 0 HD13 ILE A 5 4.332 2.823 4.311 1.00 33.41 H new ATOM 99 N LEU A 6 0.424 1.007 1.961 1.00 32.40 N ATOM 100 CA LEU A 6 -0.663 0.423 1.157 1.00 13.04 C ATOM 101 C LEU A 6 -0.041 -0.083 -0.152 1.00 43.23 C ATOM 102 O LEU A 6 0.684 0.655 -0.810 1.00 14.04 O ATOM 103 CB LEU A 6 -1.778 1.490 0.893 1.00 40.04 C ATOM 104 CG LEU A 6 -3.241 0.956 0.659 1.00 54.54 C ATOM 105 CD1 LEU A 6 -3.366 0.002 -0.550 1.00 31.55 C ATOM 106 CD2 LEU A 6 -3.781 0.295 1.934 1.00 55.02 C ATOM 0 H LEU A 6 0.652 1.970 1.713 1.00 32.40 H new ATOM 0 HA LEU A 6 -1.140 -0.404 1.683 1.00 13.04 H new ATOM 0 HB2 LEU A 6 -1.799 2.174 1.741 1.00 40.04 H new ATOM 0 HB3 LEU A 6 -1.487 2.074 0.020 1.00 40.04 H new ATOM 0 HG LEU A 6 -3.850 1.827 0.417 1.00 54.54 H new ATOM 0 HD11 LEU A 6 -4.401 -0.325 -0.650 1.00 31.55 H new ATOM 0 HD12 LEU A 6 -3.061 0.523 -1.458 1.00 31.55 H new ATOM 0 HD13 LEU A 6 -2.724 -0.866 -0.397 1.00 31.55 H new ATOM 0 HD21 LEU A 6 -4.793 -0.068 1.755 1.00 55.02 H new ATOM 0 HD22 LEU A 6 -3.139 -0.541 2.210 1.00 55.02 H new ATOM 0 HD23 LEU A 6 -3.796 1.024 2.744 1.00 55.02 H new ATOM 118 N ILE A 7 -0.296 -1.351 -0.511 1.00 30.31 N ATOM 119 CA ILE A 7 0.197 -1.933 -1.776 1.00 61.14 C ATOM 120 C ILE A 7 -0.954 -2.645 -2.508 1.00 42.33 C ATOM 121 O ILE A 7 -1.689 -3.445 -1.918 1.00 2.22 O ATOM 122 CB ILE A 7 1.404 -2.923 -1.533 1.00 31.43 C ATOM 123 CG1 ILE A 7 2.573 -2.184 -0.798 1.00 1.42 C ATOM 124 CG2 ILE A 7 1.891 -3.562 -2.865 1.00 64.45 C ATOM 125 CD1 ILE A 7 3.768 -3.045 -0.455 1.00 43.12 C ATOM 0 H ILE A 7 -0.843 -1.998 0.058 1.00 30.31 H new ATOM 0 HA ILE A 7 0.568 -1.120 -2.401 1.00 61.14 H new ATOM 0 HB ILE A 7 1.055 -3.735 -0.895 1.00 31.43 H new ATOM 0 HG12 ILE A 7 2.909 -1.358 -1.424 1.00 1.42 H new ATOM 0 HG13 ILE A 7 2.184 -1.748 0.122 1.00 1.42 H new ATOM 0 HG21 ILE A 7 2.722 -4.238 -2.662 1.00 64.45 H new ATOM 0 HG22 ILE A 7 1.073 -4.120 -3.321 1.00 64.45 H new ATOM 0 HG23 ILE A 7 2.220 -2.777 -3.546 1.00 64.45 H new ATOM 0 HD11 ILE A 7 4.520 -2.439 0.051 1.00 43.12 H new ATOM 0 HD12 ILE A 7 3.455 -3.857 0.201 1.00 43.12 H new ATOM 0 HD13 ILE A 7 4.192 -3.460 -1.369 1.00 43.12 H new ATOM 137 N ASN A 8 -1.092 -2.322 -3.803 1.00 50.31 N ATOM 138 CA ASN A 8 -2.044 -2.951 -4.724 1.00 20.35 C ATOM 139 C ASN A 8 -1.263 -3.433 -5.950 1.00 4.02 C ATOM 140 O ASN A 8 -0.674 -2.626 -6.671 1.00 65.44 O ATOM 141 CB ASN A 8 -3.144 -1.937 -5.139 1.00 21.13 C ATOM 142 CG ASN A 8 -4.083 -2.453 -6.244 1.00 10.25 C ATOM 143 OD1 ASN A 8 -3.831 -2.261 -7.432 1.00 12.42 O ATOM 144 ND2 ASN A 8 -5.170 -3.103 -5.863 1.00 43.31 N ATOM 0 H ASN A 8 -0.529 -1.597 -4.248 1.00 50.31 H new ATOM 0 HA ASN A 8 -2.539 -3.794 -4.241 1.00 20.35 H new ATOM 0 HB2 ASN A 8 -3.738 -1.681 -4.262 1.00 21.13 H new ATOM 0 HB3 ASN A 8 -2.667 -1.018 -5.481 1.00 21.13 H new ATOM 0 HD21 ASN A 8 -5.823 -3.459 -6.562 1.00 43.31 H new ATOM 0 HD22 ASN A 8 -5.356 -3.249 -4.871 1.00 43.31 H new ATOM 151 N THR A 9 -1.222 -4.755 -6.142 1.00 51.14 N ATOM 152 CA THR A 9 -0.623 -5.389 -7.325 1.00 33.31 C ATOM 153 C THR A 9 -1.652 -6.322 -7.979 1.00 44.41 C ATOM 154 O THR A 9 -2.470 -6.945 -7.280 1.00 74.11 O ATOM 155 CB THR A 9 0.697 -6.162 -6.967 1.00 42.03 C ATOM 156 OG1 THR A 9 1.227 -6.832 -8.128 1.00 31.00 O ATOM 157 CG2 THR A 9 0.501 -7.177 -5.828 1.00 4.54 C ATOM 0 H THR A 9 -1.607 -5.424 -5.475 1.00 51.14 H new ATOM 0 HA THR A 9 -0.346 -4.609 -8.034 1.00 33.31 H new ATOM 0 HB THR A 9 1.408 -5.412 -6.620 1.00 42.03 H new ATOM 0 HG1 THR A 9 1.194 -7.802 -7.990 1.00 31.00 H new ATOM 0 HG21 THR A 9 1.445 -7.681 -5.623 1.00 4.54 H new ATOM 0 HG22 THR A 9 0.166 -6.657 -4.931 1.00 4.54 H new ATOM 0 HG23 THR A 9 -0.247 -7.913 -6.122 1.00 4.54 H new ATOM 165 N ASN A 10 -1.616 -6.410 -9.319 1.00 20.32 N ATOM 166 CA ASN A 10 -2.523 -7.289 -10.093 1.00 31.14 C ATOM 167 C ASN A 10 -1.984 -8.735 -10.093 1.00 65.44 C ATOM 168 O ASN A 10 -2.722 -9.683 -10.385 1.00 55.12 O ATOM 169 CB ASN A 10 -2.672 -6.787 -11.555 1.00 0.24 C ATOM 170 CG ASN A 10 -3.164 -5.339 -11.674 1.00 2.55 C ATOM 171 OD1 ASN A 10 -3.875 -4.825 -10.809 1.00 21.35 O ATOM 172 ND2 ASN A 10 -2.804 -4.681 -12.760 1.00 34.13 N ATOM 0 H ASN A 10 -0.964 -5.880 -9.897 1.00 20.32 H new ATOM 0 HA ASN A 10 -3.504 -7.266 -9.618 1.00 31.14 H new ATOM 0 HB2 ASN A 10 -1.709 -6.874 -12.058 1.00 0.24 H new ATOM 0 HB3 ASN A 10 -3.367 -7.440 -12.083 1.00 0.24 H new ATOM 0 HD21 ASN A 10 -3.115 -3.720 -12.901 1.00 34.13 H new ATOM 0 HD22 ASN A 10 -2.214 -5.134 -13.459 1.00 34.13 H new ATOM 179 N ASN A 11 -0.685 -8.877 -9.756 1.00 11.22 N ATOM 180 CA ASN A 11 0.030 -10.168 -9.747 1.00 52.30 C ATOM 181 C ASN A 11 0.180 -10.684 -8.306 1.00 64.10 C ATOM 182 O ASN A 11 0.844 -10.047 -7.480 1.00 63.25 O ATOM 183 CB ASN A 11 1.419 -10.020 -10.429 1.00 74.45 C ATOM 184 CG ASN A 11 1.324 -9.574 -11.894 1.00 34.03 C ATOM 185 OD1 ASN A 11 0.369 -9.905 -12.601 1.00 34.42 O ATOM 186 ND2 ASN A 11 2.309 -8.831 -12.365 1.00 52.43 N ATOM 0 H ASN A 11 -0.098 -8.090 -9.480 1.00 11.22 H new ATOM 0 HA ASN A 11 -0.552 -10.896 -10.312 1.00 52.30 H new ATOM 0 HB2 ASN A 11 2.015 -9.297 -9.873 1.00 74.45 H new ATOM 0 HB3 ASN A 11 1.946 -10.973 -10.379 1.00 74.45 H new ATOM 0 HD21 ASN A 11 2.292 -8.517 -13.335 1.00 52.43 H new ATOM 0 HD22 ASN A 11 3.087 -8.572 -11.759 1.00 52.43 H new ATOM 193 N ASP A 12 -0.441 -11.851 -8.033 1.00 25.42 N ATOM 194 CA ASP A 12 -0.402 -12.540 -6.715 1.00 64.44 C ATOM 195 C ASP A 12 1.035 -12.879 -6.294 1.00 60.43 C ATOM 196 O ASP A 12 1.325 -13.028 -5.101 1.00 11.21 O ATOM 197 CB ASP A 12 -1.221 -13.856 -6.762 1.00 51.15 C ATOM 198 CG ASP A 12 -2.704 -13.660 -7.104 1.00 62.23 C ATOM 199 OD1 ASP A 12 -3.009 -13.193 -8.222 1.00 53.03 O ATOM 200 OD2 ASP A 12 -3.573 -13.988 -6.272 1.00 63.04 O ATOM 0 H ASP A 12 -0.993 -12.353 -8.729 1.00 25.42 H new ATOM 0 HA ASP A 12 -0.834 -11.853 -5.988 1.00 64.44 H new ATOM 0 HB2 ASP A 12 -0.774 -14.523 -7.499 1.00 51.15 H new ATOM 0 HB3 ASP A 12 -1.145 -14.353 -5.795 1.00 51.15 H new ATOM 205 N GLU A 13 1.908 -13.017 -7.308 1.00 52.31 N ATOM 206 CA GLU A 13 3.340 -13.275 -7.133 1.00 53.53 C ATOM 207 C GLU A 13 3.944 -12.241 -6.174 1.00 13.30 C ATOM 208 O GLU A 13 4.543 -12.594 -5.163 1.00 3.45 O ATOM 209 CB GLU A 13 4.056 -13.213 -8.510 1.00 13.34 C ATOM 210 CG GLU A 13 3.450 -14.151 -9.572 1.00 75.41 C ATOM 211 CD GLU A 13 4.150 -14.059 -10.934 1.00 4.03 C ATOM 212 OE1 GLU A 13 5.157 -14.773 -11.147 1.00 63.40 O ATOM 213 OE2 GLU A 13 3.710 -13.262 -11.786 1.00 72.05 O ATOM 0 H GLU A 13 1.629 -12.950 -8.287 1.00 52.31 H new ATOM 0 HA GLU A 13 3.477 -14.269 -6.708 1.00 53.53 H new ATOM 0 HB2 GLU A 13 4.020 -12.189 -8.881 1.00 13.34 H new ATOM 0 HB3 GLU A 13 5.107 -13.466 -8.373 1.00 13.34 H new ATOM 0 HG2 GLU A 13 3.504 -15.179 -9.212 1.00 75.41 H new ATOM 0 HG3 GLU A 13 2.394 -13.912 -9.697 1.00 75.41 H new ATOM 220 N LEU A 14 3.687 -10.958 -6.469 1.00 14.22 N ATOM 221 CA LEU A 14 4.257 -9.829 -5.718 1.00 72.52 C ATOM 222 C LEU A 14 3.736 -9.760 -4.280 1.00 60.45 C ATOM 223 O LEU A 14 4.440 -9.280 -3.424 1.00 15.00 O ATOM 224 CB LEU A 14 4.021 -8.477 -6.456 1.00 2.02 C ATOM 225 CG LEU A 14 4.982 -8.179 -7.643 1.00 15.52 C ATOM 226 CD1 LEU A 14 6.448 -8.210 -7.172 1.00 34.02 C ATOM 227 CD2 LEU A 14 4.733 -9.127 -8.840 1.00 41.42 C ATOM 0 H LEU A 14 3.077 -10.674 -7.236 1.00 14.22 H new ATOM 0 HA LEU A 14 5.331 -10.006 -5.663 1.00 72.52 H new ATOM 0 HB2 LEU A 14 2.997 -8.462 -6.829 1.00 2.02 H new ATOM 0 HB3 LEU A 14 4.108 -7.668 -5.730 1.00 2.02 H new ATOM 0 HG LEU A 14 4.770 -7.172 -8.003 1.00 15.52 H new ATOM 0 HD11 LEU A 14 7.106 -7.999 -8.015 1.00 34.02 H new ATOM 0 HD12 LEU A 14 6.598 -7.457 -6.398 1.00 34.02 H new ATOM 0 HD13 LEU A 14 6.680 -9.196 -6.768 1.00 34.02 H new ATOM 0 HD21 LEU A 14 5.425 -8.884 -9.646 1.00 41.42 H new ATOM 0 HD22 LEU A 14 4.890 -10.159 -8.526 1.00 41.42 H new ATOM 0 HD23 LEU A 14 3.709 -9.007 -9.193 1.00 41.42 H new ATOM 239 N ILE A 15 2.520 -10.258 -4.023 1.00 41.22 N ATOM 240 CA ILE A 15 1.924 -10.249 -2.669 1.00 22.35 C ATOM 241 C ILE A 15 2.805 -11.058 -1.680 1.00 0.24 C ATOM 242 O ILE A 15 3.217 -10.543 -0.623 1.00 64.50 O ATOM 243 CB ILE A 15 0.457 -10.819 -2.720 1.00 71.51 C ATOM 244 CG1 ILE A 15 -0.420 -9.956 -3.678 1.00 64.22 C ATOM 245 CG2 ILE A 15 -0.189 -10.921 -1.318 1.00 53.02 C ATOM 246 CD1 ILE A 15 -1.853 -10.423 -3.825 1.00 61.54 C ATOM 0 H ILE A 15 1.922 -10.676 -4.736 1.00 41.22 H new ATOM 0 HA ILE A 15 1.879 -9.221 -2.310 1.00 22.35 H new ATOM 0 HB ILE A 15 0.515 -11.836 -3.108 1.00 71.51 H new ATOM 0 HG12 ILE A 15 -0.424 -8.928 -3.316 1.00 64.22 H new ATOM 0 HG13 ILE A 15 0.046 -9.946 -4.663 1.00 64.22 H new ATOM 0 HG21 ILE A 15 -1.199 -11.320 -1.411 1.00 53.02 H new ATOM 0 HG22 ILE A 15 0.406 -11.584 -0.690 1.00 53.02 H new ATOM 0 HG23 ILE A 15 -0.230 -9.931 -0.863 1.00 53.02 H new ATOM 0 HD11 ILE A 15 -2.383 -9.761 -4.510 1.00 61.54 H new ATOM 0 HD12 ILE A 15 -1.866 -11.439 -4.219 1.00 61.54 H new ATOM 0 HD13 ILE A 15 -2.343 -10.405 -2.852 1.00 61.54 H new ATOM 258 N LYS A 16 3.132 -12.301 -2.072 1.00 63.00 N ATOM 259 CA LYS A 16 3.943 -13.220 -1.248 1.00 1.02 C ATOM 260 C LYS A 16 5.443 -12.836 -1.265 1.00 72.42 C ATOM 261 O LYS A 16 6.136 -13.025 -0.266 1.00 71.21 O ATOM 262 CB LYS A 16 3.728 -14.684 -1.715 1.00 13.11 C ATOM 263 CG LYS A 16 4.179 -14.982 -3.165 1.00 54.45 C ATOM 264 CD LYS A 16 3.680 -16.345 -3.701 1.00 33.12 C ATOM 265 CE LYS A 16 2.145 -16.420 -3.796 1.00 15.13 C ATOM 266 NZ LYS A 16 1.677 -17.703 -4.382 1.00 13.15 N ATOM 0 H LYS A 16 2.844 -12.698 -2.966 1.00 63.00 H new ATOM 0 HA LYS A 16 3.609 -13.133 -0.214 1.00 1.02 H new ATOM 0 HB2 LYS A 16 4.267 -15.348 -1.039 1.00 13.11 H new ATOM 0 HB3 LYS A 16 2.669 -14.927 -1.623 1.00 13.11 H new ATOM 0 HG2 LYS A 16 3.817 -14.189 -3.819 1.00 54.45 H new ATOM 0 HG3 LYS A 16 5.268 -14.960 -3.210 1.00 54.45 H new ATOM 0 HD2 LYS A 16 4.110 -16.523 -4.687 1.00 33.12 H new ATOM 0 HD3 LYS A 16 4.039 -17.141 -3.048 1.00 33.12 H new ATOM 0 HE2 LYS A 16 1.716 -16.300 -2.801 1.00 15.13 H new ATOM 0 HE3 LYS A 16 1.780 -15.592 -4.403 1.00 15.13 H new ATOM 0 HZ1 LYS A 16 0.638 -17.706 -4.425 1.00 13.15 H new ATOM 0 HZ2 LYS A 16 2.064 -17.808 -5.342 1.00 13.15 H new ATOM 0 HZ3 LYS A 16 2.001 -18.494 -3.790 1.00 13.15 H new ATOM 280 N LYS A 17 5.922 -12.283 -2.406 1.00 63.14 N ATOM 281 CA LYS A 17 7.323 -11.814 -2.564 1.00 15.41 C ATOM 282 C LYS A 17 7.609 -10.621 -1.634 1.00 21.24 C ATOM 283 O LYS A 17 8.629 -10.591 -0.944 1.00 73.12 O ATOM 284 CB LYS A 17 7.590 -11.414 -4.040 1.00 50.31 C ATOM 285 CG LYS A 17 7.619 -12.596 -5.038 1.00 4.01 C ATOM 286 CD LYS A 17 7.552 -12.140 -6.521 1.00 12.44 C ATOM 287 CE LYS A 17 8.730 -11.254 -6.938 1.00 10.01 C ATOM 288 NZ LYS A 17 10.011 -12.001 -6.892 1.00 71.34 N ATOM 0 H LYS A 17 5.351 -12.149 -3.241 1.00 63.14 H new ATOM 0 HA LYS A 17 7.990 -12.631 -2.290 1.00 15.41 H new ATOM 0 HB2 LYS A 17 6.821 -10.709 -4.356 1.00 50.31 H new ATOM 0 HB3 LYS A 17 8.544 -10.889 -4.093 1.00 50.31 H new ATOM 0 HG2 LYS A 17 8.530 -13.174 -4.882 1.00 4.01 H new ATOM 0 HG3 LYS A 17 6.781 -13.261 -4.830 1.00 4.01 H new ATOM 0 HD2 LYS A 17 7.524 -13.020 -7.163 1.00 12.44 H new ATOM 0 HD3 LYS A 17 6.622 -11.596 -6.685 1.00 12.44 H new ATOM 0 HE2 LYS A 17 8.564 -10.876 -7.947 1.00 10.01 H new ATOM 0 HE3 LYS A 17 8.788 -10.388 -6.278 1.00 10.01 H new ATOM 0 HZ1 LYS A 17 10.776 -11.401 -7.260 1.00 71.34 H new ATOM 0 HZ2 LYS A 17 10.222 -12.268 -5.909 1.00 71.34 H new ATOM 0 HZ3 LYS A 17 9.934 -12.859 -7.475 1.00 71.34 H new ATOM 302 N ILE A 18 6.672 -9.655 -1.631 1.00 50.34 N ATOM 303 CA ILE A 18 6.736 -8.448 -0.787 1.00 11.32 C ATOM 304 C ILE A 18 6.658 -8.834 0.697 1.00 13.33 C ATOM 305 O ILE A 18 7.333 -8.212 1.509 1.00 62.34 O ATOM 306 CB ILE A 18 5.616 -7.397 -1.180 1.00 53.41 C ATOM 307 CG1 ILE A 18 5.941 -6.756 -2.575 1.00 61.45 C ATOM 308 CG2 ILE A 18 5.413 -6.300 -0.106 1.00 33.15 C ATOM 309 CD1 ILE A 18 4.833 -5.898 -3.170 1.00 53.31 C ATOM 0 H ILE A 18 5.841 -9.691 -2.221 1.00 50.34 H new ATOM 0 HA ILE A 18 7.695 -7.960 -0.962 1.00 11.32 H new ATOM 0 HB ILE A 18 4.675 -7.943 -1.243 1.00 53.41 H new ATOM 0 HG12 ILE A 18 6.838 -6.145 -2.475 1.00 61.45 H new ATOM 0 HG13 ILE A 18 6.176 -7.555 -3.278 1.00 61.45 H new ATOM 0 HG21 ILE A 18 4.634 -5.611 -0.432 1.00 33.15 H new ATOM 0 HG22 ILE A 18 5.117 -6.763 0.835 1.00 33.15 H new ATOM 0 HG23 ILE A 18 6.345 -5.753 0.036 1.00 33.15 H new ATOM 0 HD11 ILE A 18 5.157 -5.502 -4.133 1.00 53.31 H new ATOM 0 HD12 ILE A 18 3.938 -6.505 -3.309 1.00 53.31 H new ATOM 0 HD13 ILE A 18 4.610 -5.072 -2.495 1.00 53.31 H new ATOM 321 N LYS A 19 5.869 -9.883 1.040 1.00 21.05 N ATOM 322 CA LYS A 19 5.847 -10.433 2.419 1.00 4.12 C ATOM 323 C LYS A 19 7.262 -10.813 2.906 1.00 64.21 C ATOM 324 O LYS A 19 7.623 -10.533 4.053 1.00 22.24 O ATOM 325 CB LYS A 19 4.914 -11.668 2.538 1.00 34.21 C ATOM 326 CG LYS A 19 3.413 -11.341 2.556 1.00 42.24 C ATOM 327 CD LYS A 19 2.564 -12.612 2.775 1.00 11.43 C ATOM 328 CE LYS A 19 1.073 -12.317 2.905 1.00 53.34 C ATOM 329 NZ LYS A 19 0.523 -11.669 1.695 1.00 65.42 N ATOM 0 H LYS A 19 5.246 -10.361 0.389 1.00 21.05 H new ATOM 0 HA LYS A 19 5.456 -9.638 3.054 1.00 4.12 H new ATOM 0 HB2 LYS A 19 5.115 -12.340 1.704 1.00 34.21 H new ATOM 0 HB3 LYS A 19 5.165 -12.209 3.450 1.00 34.21 H new ATOM 0 HG2 LYS A 19 3.205 -10.621 3.348 1.00 42.24 H new ATOM 0 HG3 LYS A 19 3.130 -10.870 1.615 1.00 42.24 H new ATOM 0 HD2 LYS A 19 2.722 -13.296 1.941 1.00 11.43 H new ATOM 0 HD3 LYS A 19 2.908 -13.122 3.675 1.00 11.43 H new ATOM 0 HE2 LYS A 19 0.536 -13.247 3.093 1.00 53.34 H new ATOM 0 HE3 LYS A 19 0.906 -11.672 3.768 1.00 53.34 H new ATOM 0 HZ1 LYS A 19 -0.248 -11.025 1.966 1.00 65.42 H new ATOM 0 HZ2 LYS A 19 1.274 -11.129 1.219 1.00 65.42 H new ATOM 0 HZ3 LYS A 19 0.156 -12.396 1.048 1.00 65.42 H new ATOM 343 N LYS A 20 8.048 -11.442 2.019 1.00 52.01 N ATOM 344 CA LYS A 20 9.404 -11.917 2.347 1.00 64.31 C ATOM 345 C LYS A 20 10.392 -10.731 2.455 1.00 11.43 C ATOM 346 O LYS A 20 11.291 -10.744 3.295 1.00 34.15 O ATOM 347 CB LYS A 20 9.888 -12.943 1.287 1.00 42.50 C ATOM 348 CG LYS A 20 8.908 -14.109 0.985 1.00 51.43 C ATOM 349 CD LYS A 20 8.494 -14.940 2.223 1.00 70.03 C ATOM 350 CE LYS A 20 9.686 -15.549 2.986 1.00 60.31 C ATOM 351 NZ LYS A 20 10.562 -16.390 2.123 1.00 62.04 N ATOM 0 H LYS A 20 7.765 -11.636 1.058 1.00 52.01 H new ATOM 0 HA LYS A 20 9.369 -12.414 3.317 1.00 64.31 H new ATOM 0 HB2 LYS A 20 10.088 -12.411 0.357 1.00 42.50 H new ATOM 0 HB3 LYS A 20 10.835 -13.366 1.623 1.00 42.50 H new ATOM 0 HG2 LYS A 20 8.010 -13.701 0.521 1.00 51.43 H new ATOM 0 HG3 LYS A 20 9.369 -14.774 0.255 1.00 51.43 H new ATOM 0 HD2 LYS A 20 7.925 -14.305 2.902 1.00 70.03 H new ATOM 0 HD3 LYS A 20 7.829 -15.743 1.905 1.00 70.03 H new ATOM 0 HE2 LYS A 20 10.279 -14.746 3.423 1.00 60.31 H new ATOM 0 HE3 LYS A 20 9.311 -16.153 3.812 1.00 60.31 H new ATOM 0 HZ1 LYS A 20 11.336 -16.786 2.695 1.00 62.04 H new ATOM 0 HZ2 LYS A 20 10.004 -17.165 1.712 1.00 62.04 H new ATOM 0 HZ3 LYS A 20 10.959 -15.807 1.359 1.00 62.04 H new ATOM 365 N GLU A 21 10.222 -9.737 1.564 1.00 11.20 N ATOM 366 CA GLU A 21 10.972 -8.458 1.612 1.00 64.55 C ATOM 367 C GLU A 21 10.798 -7.745 2.974 1.00 22.52 C ATOM 368 O GLU A 21 11.776 -7.445 3.680 1.00 61.54 O ATOM 369 CB GLU A 21 10.493 -7.512 0.470 1.00 50.01 C ATOM 370 CG GLU A 21 10.765 -8.020 -0.959 1.00 40.12 C ATOM 371 CD GLU A 21 12.257 -8.225 -1.265 1.00 51.53 C ATOM 372 OE1 GLU A 21 13.006 -7.227 -1.316 1.00 14.14 O ATOM 373 OE2 GLU A 21 12.692 -9.378 -1.455 1.00 52.32 O ATOM 0 H GLU A 21 9.562 -9.793 0.788 1.00 11.20 H new ATOM 0 HA GLU A 21 12.028 -8.693 1.481 1.00 64.55 H new ATOM 0 HB2 GLU A 21 9.421 -7.347 0.582 1.00 50.01 H new ATOM 0 HB3 GLU A 21 10.979 -6.544 0.593 1.00 50.01 H new ATOM 0 HG2 GLU A 21 10.239 -8.963 -1.107 1.00 40.12 H new ATOM 0 HG3 GLU A 21 10.350 -7.309 -1.674 1.00 40.12 H new ATOM 380 N VAL A 22 9.530 -7.545 3.351 1.00 64.24 N ATOM 381 CA VAL A 22 9.143 -6.725 4.517 1.00 41.12 C ATOM 382 C VAL A 22 9.266 -7.514 5.834 1.00 13.32 C ATOM 383 O VAL A 22 9.175 -6.936 6.923 1.00 1.55 O ATOM 384 CB VAL A 22 7.694 -6.153 4.339 1.00 62.02 C ATOM 385 CG1 VAL A 22 7.572 -5.412 2.989 1.00 63.22 C ATOM 386 CG2 VAL A 22 6.612 -7.249 4.475 1.00 21.24 C ATOM 0 H VAL A 22 8.734 -7.948 2.856 1.00 64.24 H new ATOM 0 HA VAL A 22 9.838 -5.887 4.574 1.00 41.12 H new ATOM 0 HB VAL A 22 7.520 -5.441 5.145 1.00 62.02 H new ATOM 0 HG11 VAL A 22 6.561 -5.020 2.879 1.00 63.22 H new ATOM 0 HG12 VAL A 22 8.285 -4.588 2.960 1.00 63.22 H new ATOM 0 HG13 VAL A 22 7.784 -6.104 2.174 1.00 63.22 H new ATOM 0 HG21 VAL A 22 5.625 -6.805 4.344 1.00 21.24 H new ATOM 0 HG22 VAL A 22 6.770 -8.013 3.713 1.00 21.24 H new ATOM 0 HG23 VAL A 22 6.677 -7.704 5.464 1.00 21.24 H new ATOM 396 N GLU A 23 9.458 -8.840 5.698 1.00 44.43 N ATOM 397 CA GLU A 23 9.797 -9.753 6.803 1.00 74.24 C ATOM 398 C GLU A 23 11.050 -9.258 7.548 1.00 40.24 C ATOM 399 O GLU A 23 11.091 -9.229 8.781 1.00 55.13 O ATOM 400 CB GLU A 23 10.055 -11.161 6.212 1.00 10.22 C ATOM 401 CG GLU A 23 10.492 -12.242 7.215 1.00 74.32 C ATOM 402 CD GLU A 23 11.001 -13.518 6.526 1.00 52.50 C ATOM 403 OE1 GLU A 23 10.190 -14.398 6.205 1.00 21.14 O ATOM 404 OE2 GLU A 23 12.220 -13.631 6.288 1.00 11.55 O ATOM 0 H GLU A 23 9.380 -9.315 4.798 1.00 44.43 H new ATOM 0 HA GLU A 23 8.972 -9.788 7.515 1.00 74.24 H new ATOM 0 HB2 GLU A 23 9.144 -11.499 5.718 1.00 10.22 H new ATOM 0 HB3 GLU A 23 10.822 -11.076 5.442 1.00 10.22 H new ATOM 0 HG2 GLU A 23 11.278 -11.841 7.855 1.00 74.32 H new ATOM 0 HG3 GLU A 23 9.651 -12.494 7.861 1.00 74.32 H new ATOM 411 N ASN A 24 12.044 -8.837 6.757 1.00 14.43 N ATOM 412 CA ASN A 24 13.357 -8.384 7.252 1.00 75.23 C ATOM 413 C ASN A 24 13.272 -6.964 7.832 1.00 61.14 C ATOM 414 O ASN A 24 14.091 -6.574 8.667 1.00 42.31 O ATOM 415 CB ASN A 24 14.389 -8.418 6.095 1.00 45.22 C ATOM 416 CG ASN A 24 14.493 -9.792 5.446 1.00 12.12 C ATOM 417 OD1 ASN A 24 15.319 -10.615 5.821 1.00 72.53 O ATOM 418 ND2 ASN A 24 13.634 -10.053 4.478 1.00 2.12 N ATOM 0 H ASN A 24 11.962 -8.799 5.741 1.00 14.43 H new ATOM 0 HA ASN A 24 13.674 -9.057 8.049 1.00 75.23 H new ATOM 0 HB2 ASN A 24 14.108 -7.684 5.340 1.00 45.22 H new ATOM 0 HB3 ASN A 24 15.367 -8.125 6.476 1.00 45.22 H new ATOM 0 HD21 ASN A 24 13.645 -10.963 4.018 1.00 2.12 H new ATOM 0 HD22 ASN A 24 12.959 -9.344 4.190 1.00 2.12 H new ATOM 425 N GLN A 25 12.281 -6.192 7.359 1.00 1.32 N ATOM 426 CA GLN A 25 12.118 -4.769 7.718 1.00 41.32 C ATOM 427 C GLN A 25 11.067 -4.563 8.829 1.00 63.13 C ATOM 428 O GLN A 25 10.931 -3.448 9.353 1.00 24.53 O ATOM 429 CB GLN A 25 11.745 -3.963 6.449 1.00 72.44 C ATOM 430 CG GLN A 25 12.799 -3.991 5.328 1.00 42.32 C ATOM 431 CD GLN A 25 14.153 -3.425 5.754 1.00 34.44 C ATOM 432 OE1 GLN A 25 14.388 -2.221 5.669 1.00 34.14 O ATOM 433 NE2 GLN A 25 15.065 -4.290 6.171 1.00 1.31 N ATOM 0 H GLN A 25 11.568 -6.535 6.716 1.00 1.32 H new ATOM 0 HA GLN A 25 13.065 -4.407 8.118 1.00 41.32 H new ATOM 0 HB2 GLN A 25 10.806 -4.350 6.054 1.00 72.44 H new ATOM 0 HB3 GLN A 25 11.567 -2.926 6.734 1.00 72.44 H new ATOM 0 HG2 GLN A 25 12.933 -5.019 4.991 1.00 42.32 H new ATOM 0 HG3 GLN A 25 12.427 -3.422 4.476 1.00 42.32 H new ATOM 0 HE21 GLN A 25 14.837 -5.283 6.230 1.00 1.31 H new ATOM 0 HE22 GLN A 25 15.995 -3.964 6.433 1.00 1.31 H new ATOM 442 N GLY A 26 10.358 -5.640 9.204 1.00 4.15 N ATOM 443 CA GLY A 26 9.354 -5.586 10.269 1.00 3.41 C ATOM 444 C GLY A 26 8.106 -4.767 9.933 1.00 22.11 C ATOM 445 O GLY A 26 7.638 -3.976 10.756 1.00 0.33 O ATOM 0 H GLY A 26 10.466 -6.562 8.780 1.00 4.15 H new ATOM 0 HA2 GLY A 26 9.049 -6.603 10.513 1.00 3.41 H new ATOM 0 HA3 GLY A 26 9.816 -5.168 11.164 1.00 3.41 H new ATOM 449 N TYR A 27 7.571 -4.940 8.718 1.00 13.42 N ATOM 450 CA TYR A 27 6.292 -4.311 8.310 1.00 4.54 C ATOM 451 C TYR A 27 5.188 -5.372 8.341 1.00 71.20 C ATOM 452 O TYR A 27 5.104 -6.219 7.445 1.00 1.12 O ATOM 453 CB TYR A 27 6.415 -3.639 6.915 1.00 71.22 C ATOM 454 CG TYR A 27 7.274 -2.359 6.915 1.00 61.25 C ATOM 455 CD1 TYR A 27 8.628 -2.399 7.242 1.00 41.23 C ATOM 456 CD2 TYR A 27 6.728 -1.114 6.620 1.00 51.54 C ATOM 457 CE1 TYR A 27 9.399 -1.256 7.269 1.00 61.01 C ATOM 458 CE2 TYR A 27 7.497 0.036 6.650 1.00 75.23 C ATOM 459 CZ TYR A 27 8.829 -0.044 6.975 1.00 2.01 C ATOM 460 OH TYR A 27 9.594 1.100 7.033 1.00 61.21 O ATOM 0 H TYR A 27 8.001 -5.512 7.991 1.00 13.42 H new ATOM 0 HA TYR A 27 6.035 -3.516 9.010 1.00 4.54 H new ATOM 0 HB2 TYR A 27 6.845 -4.354 6.214 1.00 71.22 H new ATOM 0 HB3 TYR A 27 5.417 -3.396 6.550 1.00 71.22 H new ATOM 0 HD1 TYR A 27 9.085 -3.348 7.480 1.00 41.23 H new ATOM 0 HD2 TYR A 27 5.682 -1.043 6.362 1.00 51.54 H new ATOM 0 HE1 TYR A 27 10.448 -1.315 7.521 1.00 61.01 H new ATOM 0 HE2 TYR A 27 7.052 0.992 6.419 1.00 75.23 H new ATOM 0 HH TYR A 27 10.485 0.917 6.668 1.00 61.21 H new ATOM 470 N GLN A 28 4.365 -5.319 9.403 1.00 71.45 N ATOM 471 CA GLN A 28 3.354 -6.341 9.705 1.00 33.31 C ATOM 472 C GLN A 28 2.236 -6.322 8.639 1.00 22.51 C ATOM 473 O GLN A 28 1.515 -5.330 8.509 1.00 12.12 O ATOM 474 CB GLN A 28 2.773 -6.102 11.126 1.00 22.15 C ATOM 475 CG GLN A 28 3.802 -6.021 12.267 1.00 50.02 C ATOM 476 CD GLN A 28 4.672 -7.271 12.388 1.00 31.20 C ATOM 477 OE1 GLN A 28 5.751 -7.354 11.808 1.00 21.45 O ATOM 478 NE2 GLN A 28 4.194 -8.260 13.120 1.00 73.14 N ATOM 0 H GLN A 28 4.385 -4.557 10.081 1.00 71.45 H new ATOM 0 HA GLN A 28 3.822 -7.325 9.683 1.00 33.31 H new ATOM 0 HB2 GLN A 28 2.201 -5.175 11.112 1.00 22.15 H new ATOM 0 HB3 GLN A 28 2.072 -6.906 11.351 1.00 22.15 H new ATOM 0 HG2 GLN A 28 4.444 -5.155 12.107 1.00 50.02 H new ATOM 0 HG3 GLN A 28 3.278 -5.860 13.209 1.00 50.02 H new ATOM 0 HE21 GLN A 28 3.294 -8.159 13.589 1.00 73.14 H new ATOM 0 HE22 GLN A 28 4.725 -9.126 13.217 1.00 73.14 H new ATOM 487 N VAL A 29 2.106 -7.433 7.897 1.00 22.22 N ATOM 488 CA VAL A 29 1.205 -7.539 6.728 1.00 13.13 C ATOM 489 C VAL A 29 -0.231 -7.922 7.154 1.00 32.52 C ATOM 490 O VAL A 29 -0.424 -8.870 7.911 1.00 2.41 O ATOM 491 CB VAL A 29 1.742 -8.604 5.697 1.00 55.12 C ATOM 492 CG1 VAL A 29 0.787 -8.768 4.486 1.00 3.50 C ATOM 493 CG2 VAL A 29 3.175 -8.247 5.230 1.00 72.02 C ATOM 0 H VAL A 29 2.624 -8.290 8.089 1.00 22.22 H new ATOM 0 HA VAL A 29 1.181 -6.558 6.254 1.00 13.13 H new ATOM 0 HB VAL A 29 1.779 -9.564 6.211 1.00 55.12 H new ATOM 0 HG11 VAL A 29 1.194 -9.511 3.800 1.00 3.50 H new ATOM 0 HG12 VAL A 29 -0.192 -9.095 4.836 1.00 3.50 H new ATOM 0 HG13 VAL A 29 0.687 -7.813 3.970 1.00 3.50 H new ATOM 0 HG21 VAL A 29 3.523 -8.996 4.519 1.00 72.02 H new ATOM 0 HG22 VAL A 29 3.168 -7.268 4.751 1.00 72.02 H new ATOM 0 HG23 VAL A 29 3.843 -8.225 6.091 1.00 72.02 H new ATOM 503 N ARG A 30 -1.226 -7.158 6.658 1.00 73.41 N ATOM 504 CA ARG A 30 -2.661 -7.484 6.765 1.00 62.20 C ATOM 505 C ARG A 30 -3.238 -7.626 5.350 1.00 33.33 C ATOM 506 O ARG A 30 -3.191 -6.679 4.565 1.00 44.51 O ATOM 507 CB ARG A 30 -3.436 -6.373 7.532 1.00 22.41 C ATOM 508 CG ARG A 30 -2.970 -6.131 8.981 1.00 21.53 C ATOM 509 CD ARG A 30 -3.067 -7.392 9.855 1.00 60.13 C ATOM 510 NE ARG A 30 -2.666 -7.129 11.251 1.00 71.42 N ATOM 511 CZ ARG A 30 -3.186 -7.705 12.334 1.00 44.01 C ATOM 512 NH1 ARG A 30 -4.166 -8.593 12.235 1.00 43.42 N ATOM 513 NH2 ARG A 30 -2.721 -7.373 13.526 1.00 32.55 N ATOM 0 H ARG A 30 -1.051 -6.283 6.164 1.00 73.41 H new ATOM 0 HA ARG A 30 -2.770 -8.416 7.320 1.00 62.20 H new ATOM 0 HB2 ARG A 30 -3.345 -5.439 6.977 1.00 22.41 H new ATOM 0 HB3 ARG A 30 -4.494 -6.634 7.546 1.00 22.41 H new ATOM 0 HG2 ARG A 30 -1.939 -5.779 8.972 1.00 21.53 H new ATOM 0 HG3 ARG A 30 -3.574 -5.339 9.425 1.00 21.53 H new ATOM 0 HD2 ARG A 30 -4.090 -7.768 9.836 1.00 60.13 H new ATOM 0 HD3 ARG A 30 -2.432 -8.173 9.436 1.00 60.13 H new ATOM 0 HE ARG A 30 -1.924 -6.445 11.400 1.00 71.42 H new ATOM 0 HH11 ARG A 30 -4.535 -8.846 11.318 1.00 43.42 H new ATOM 0 HH12 ARG A 30 -4.551 -9.023 13.076 1.00 43.42 H new ATOM 0 HH21 ARG A 30 -1.974 -6.684 13.608 1.00 32.55 H new ATOM 0 HH22 ARG A 30 -3.110 -7.806 14.364 1.00 32.55 H new ATOM 527 N ASP A 31 -3.776 -8.812 5.040 1.00 42.13 N ATOM 528 CA ASP A 31 -4.381 -9.099 3.731 1.00 22.04 C ATOM 529 C ASP A 31 -5.889 -8.861 3.819 1.00 33.34 C ATOM 530 O ASP A 31 -6.588 -9.502 4.613 1.00 1.32 O ATOM 531 CB ASP A 31 -4.065 -10.549 3.294 1.00 42.50 C ATOM 532 CG ASP A 31 -2.555 -10.776 3.117 1.00 0.30 C ATOM 533 OD1 ASP A 31 -2.003 -10.359 2.075 1.00 15.01 O ATOM 534 OD2 ASP A 31 -1.911 -11.362 4.017 1.00 51.55 O ATOM 0 H ASP A 31 -3.805 -9.599 5.688 1.00 42.13 H new ATOM 0 HA ASP A 31 -3.961 -8.434 2.976 1.00 22.04 H new ATOM 0 HB2 ASP A 31 -4.452 -11.245 4.038 1.00 42.50 H new ATOM 0 HB3 ASP A 31 -4.577 -10.766 2.357 1.00 42.50 H new ATOM 539 N VAL A 32 -6.372 -7.919 3.008 1.00 64.10 N ATOM 540 CA VAL A 32 -7.778 -7.499 2.973 1.00 1.12 C ATOM 541 C VAL A 32 -8.301 -7.668 1.543 1.00 72.20 C ATOM 542 O VAL A 32 -7.769 -7.066 0.616 1.00 53.33 O ATOM 543 CB VAL A 32 -7.945 -5.999 3.441 1.00 61.55 C ATOM 544 CG1 VAL A 32 -9.404 -5.500 3.252 1.00 72.44 C ATOM 545 CG2 VAL A 32 -7.477 -5.819 4.913 1.00 34.33 C ATOM 0 H VAL A 32 -5.786 -7.415 2.342 1.00 64.10 H new ATOM 0 HA VAL A 32 -8.351 -8.120 3.662 1.00 1.12 H new ATOM 0 HB VAL A 32 -7.306 -5.384 2.807 1.00 61.55 H new ATOM 0 HG11 VAL A 32 -9.480 -4.465 3.585 1.00 72.44 H new ATOM 0 HG12 VAL A 32 -9.677 -5.564 2.199 1.00 72.44 H new ATOM 0 HG13 VAL A 32 -10.080 -6.121 3.840 1.00 72.44 H new ATOM 0 HG21 VAL A 32 -7.603 -4.778 5.210 1.00 34.33 H new ATOM 0 HG22 VAL A 32 -8.074 -6.457 5.565 1.00 34.33 H new ATOM 0 HG23 VAL A 32 -6.426 -6.096 4.997 1.00 34.33 H new ATOM 555 N ASN A 33 -9.320 -8.524 1.391 1.00 65.42 N ATOM 556 CA ASN A 33 -10.056 -8.751 0.124 1.00 72.23 C ATOM 557 C ASN A 33 -11.573 -8.650 0.363 1.00 24.13 C ATOM 558 O ASN A 33 -12.370 -8.878 -0.552 1.00 71.13 O ATOM 559 CB ASN A 33 -9.692 -10.134 -0.493 1.00 14.04 C ATOM 560 CG ASN A 33 -8.216 -10.301 -0.884 1.00 71.14 C ATOM 561 OD1 ASN A 33 -7.666 -11.397 -0.789 1.00 23.45 O ATOM 562 ND2 ASN A 33 -7.569 -9.242 -1.361 1.00 0.41 N ATOM 0 H ASN A 33 -9.670 -9.096 2.160 1.00 65.42 H new ATOM 0 HA ASN A 33 -9.761 -7.978 -0.585 1.00 72.23 H new ATOM 0 HB2 ASN A 33 -9.954 -10.914 0.222 1.00 14.04 H new ATOM 0 HB3 ASN A 33 -10.307 -10.293 -1.378 1.00 14.04 H new ATOM 0 HD21 ASN A 33 -6.597 -9.329 -1.657 1.00 0.41 H new ATOM 0 HD22 ASN A 33 -8.045 -8.343 -1.431 1.00 0.41 H new ATOM 569 N ASP A 34 -11.956 -8.279 1.598 1.00 11.20 N ATOM 570 CA ASP A 34 -13.359 -8.128 2.022 1.00 75.30 C ATOM 571 C ASP A 34 -13.503 -6.790 2.758 1.00 33.35 C ATOM 572 O ASP A 34 -12.635 -6.435 3.564 1.00 41.53 O ATOM 573 CB ASP A 34 -13.785 -9.304 2.952 1.00 0.35 C ATOM 574 CG ASP A 34 -13.799 -10.673 2.242 1.00 62.14 C ATOM 575 OD1 ASP A 34 -14.843 -11.053 1.682 1.00 75.35 O ATOM 576 OD2 ASP A 34 -12.764 -11.379 2.241 1.00 53.41 O ATOM 0 H ASP A 34 -11.288 -8.072 2.341 1.00 11.20 H new ATOM 0 HA ASP A 34 -14.008 -8.145 1.147 1.00 75.30 H new ATOM 0 HB2 ASP A 34 -13.104 -9.351 3.801 1.00 0.35 H new ATOM 0 HB3 ASP A 34 -14.779 -9.100 3.351 1.00 0.35 H new ATOM 581 N SER A 35 -14.596 -6.059 2.479 1.00 5.32 N ATOM 582 CA SER A 35 -14.874 -4.749 3.096 1.00 41.01 C ATOM 583 C SER A 35 -15.105 -4.866 4.615 1.00 22.35 C ATOM 584 O SER A 35 -14.870 -3.908 5.348 1.00 71.32 O ATOM 585 CB SER A 35 -16.083 -4.083 2.401 1.00 74.41 C ATOM 586 OG SER A 35 -17.228 -4.913 2.437 1.00 42.13 O ATOM 0 H SER A 35 -15.313 -6.360 1.819 1.00 5.32 H new ATOM 0 HA SER A 35 -13.996 -4.119 2.957 1.00 41.01 H new ATOM 0 HB2 SER A 35 -16.306 -3.134 2.888 1.00 74.41 H new ATOM 0 HB3 SER A 35 -15.829 -3.858 1.365 1.00 74.41 H new ATOM 0 HG SER A 35 -17.974 -4.461 1.991 1.00 42.13 H new ATOM 592 N ASP A 36 -15.561 -6.051 5.072 1.00 32.23 N ATOM 593 CA ASP A 36 -15.698 -6.347 6.509 1.00 1.43 C ATOM 594 C ASP A 36 -14.320 -6.410 7.181 1.00 34.04 C ATOM 595 O ASP A 36 -14.127 -5.815 8.240 1.00 2.21 O ATOM 596 CB ASP A 36 -16.503 -7.648 6.752 1.00 71.24 C ATOM 597 CG ASP A 36 -18.007 -7.476 6.491 1.00 14.53 C ATOM 598 OD1 ASP A 36 -18.707 -6.896 7.348 1.00 22.34 O ATOM 599 OD2 ASP A 36 -18.501 -7.895 5.432 1.00 40.40 O ATOM 0 H ASP A 36 -15.841 -6.819 4.462 1.00 32.23 H new ATOM 0 HA ASP A 36 -16.262 -5.533 6.964 1.00 1.43 H new ATOM 0 HB2 ASP A 36 -16.115 -8.436 6.106 1.00 71.24 H new ATOM 0 HB3 ASP A 36 -16.353 -7.976 7.781 1.00 71.24 H new ATOM 604 N GLU A 37 -13.361 -7.084 6.510 1.00 72.23 N ATOM 605 CA GLU A 37 -11.962 -7.189 6.981 1.00 11.00 C ATOM 606 C GLU A 37 -11.292 -5.806 6.994 1.00 70.11 C ATOM 607 O GLU A 37 -10.489 -5.507 7.878 1.00 41.25 O ATOM 608 CB GLU A 37 -11.167 -8.181 6.086 1.00 11.22 C ATOM 609 CG GLU A 37 -11.521 -9.666 6.313 1.00 22.54 C ATOM 610 CD GLU A 37 -11.060 -10.189 7.688 1.00 53.24 C ATOM 611 OE1 GLU A 37 -9.843 -10.369 7.885 1.00 20.02 O ATOM 612 OE2 GLU A 37 -11.901 -10.416 8.582 1.00 5.32 O ATOM 0 H GLU A 37 -13.533 -7.569 5.630 1.00 72.23 H new ATOM 0 HA GLU A 37 -11.964 -7.572 8.001 1.00 11.00 H new ATOM 0 HB2 GLU A 37 -11.347 -7.933 5.040 1.00 11.22 H new ATOM 0 HB3 GLU A 37 -10.101 -8.042 6.268 1.00 11.22 H new ATOM 0 HG2 GLU A 37 -12.600 -9.795 6.224 1.00 22.54 H new ATOM 0 HG3 GLU A 37 -11.062 -10.268 5.528 1.00 22.54 H new ATOM 619 N LEU A 38 -11.664 -4.972 6.001 1.00 22.01 N ATOM 620 CA LEU A 38 -11.231 -3.568 5.904 1.00 75.23 C ATOM 621 C LEU A 38 -11.607 -2.802 7.176 1.00 34.42 C ATOM 622 O LEU A 38 -10.746 -2.170 7.793 1.00 15.23 O ATOM 623 CB LEU A 38 -11.847 -2.923 4.619 1.00 51.31 C ATOM 624 CG LEU A 38 -11.722 -1.357 4.442 1.00 44.14 C ATOM 625 CD1 LEU A 38 -11.525 -0.983 2.965 1.00 43.33 C ATOM 626 CD2 LEU A 38 -12.957 -0.597 5.011 1.00 41.21 C ATOM 0 H LEU A 38 -12.278 -5.259 5.239 1.00 22.01 H new ATOM 0 HA LEU A 38 -10.146 -3.520 5.817 1.00 75.23 H new ATOM 0 HB2 LEU A 38 -11.383 -3.395 3.753 1.00 51.31 H new ATOM 0 HB3 LEU A 38 -12.906 -3.179 4.592 1.00 51.31 H new ATOM 0 HG LEU A 38 -10.845 -1.051 5.013 1.00 44.14 H new ATOM 0 HD11 LEU A 38 -11.442 0.100 2.872 1.00 43.33 H new ATOM 0 HD12 LEU A 38 -10.615 -1.450 2.590 1.00 43.33 H new ATOM 0 HD13 LEU A 38 -12.378 -1.333 2.384 1.00 43.33 H new ATOM 0 HD21 LEU A 38 -12.823 0.475 4.866 1.00 41.21 H new ATOM 0 HD22 LEU A 38 -13.857 -0.924 4.491 1.00 41.21 H new ATOM 0 HD23 LEU A 38 -13.056 -0.809 6.076 1.00 41.21 H new ATOM 638 N LYS A 39 -12.900 -2.892 7.561 1.00 12.30 N ATOM 639 CA LYS A 39 -13.426 -2.240 8.776 1.00 34.32 C ATOM 640 C LYS A 39 -12.618 -2.676 10.010 1.00 22.34 C ATOM 641 O LYS A 39 -11.988 -1.834 10.649 1.00 73.33 O ATOM 642 CB LYS A 39 -14.932 -2.564 8.982 1.00 13.31 C ATOM 643 CG LYS A 39 -15.858 -2.087 7.843 1.00 22.32 C ATOM 644 CD LYS A 39 -17.363 -2.323 8.148 1.00 51.12 C ATOM 645 CE LYS A 39 -17.705 -3.800 8.400 1.00 34.34 C ATOM 646 NZ LYS A 39 -19.147 -4.003 8.688 1.00 70.04 N ATOM 0 H LYS A 39 -13.603 -3.416 7.040 1.00 12.30 H new ATOM 0 HA LYS A 39 -13.325 -1.162 8.647 1.00 34.32 H new ATOM 0 HB2 LYS A 39 -15.045 -3.642 9.096 1.00 13.31 H new ATOM 0 HB3 LYS A 39 -15.263 -2.108 9.915 1.00 13.31 H new ATOM 0 HG2 LYS A 39 -15.691 -1.025 7.666 1.00 22.32 H new ATOM 0 HG3 LYS A 39 -15.593 -2.609 6.923 1.00 22.32 H new ATOM 0 HD2 LYS A 39 -17.646 -1.737 9.022 1.00 51.12 H new ATOM 0 HD3 LYS A 39 -17.958 -1.956 7.312 1.00 51.12 H new ATOM 0 HE2 LYS A 39 -17.425 -4.390 7.527 1.00 34.34 H new ATOM 0 HE3 LYS A 39 -17.114 -4.170 9.238 1.00 34.34 H new ATOM 0 HZ1 LYS A 39 -19.437 -4.946 8.360 1.00 70.04 H new ATOM 0 HZ2 LYS A 39 -19.310 -3.927 9.712 1.00 70.04 H new ATOM 0 HZ3 LYS A 39 -19.705 -3.278 8.194 1.00 70.04 H new ATOM 660 N LYS A 40 -12.585 -4.016 10.243 1.00 64.43 N ATOM 661 CA LYS A 40 -11.974 -4.648 11.440 1.00 11.33 C ATOM 662 C LYS A 40 -10.556 -4.122 11.703 1.00 64.14 C ATOM 663 O LYS A 40 -10.292 -3.536 12.758 1.00 22.41 O ATOM 664 CB LYS A 40 -11.915 -6.197 11.282 1.00 22.33 C ATOM 665 CG LYS A 40 -13.272 -6.890 11.059 1.00 65.41 C ATOM 666 CD LYS A 40 -14.236 -6.759 12.257 1.00 10.32 C ATOM 667 CE LYS A 40 -15.600 -7.424 11.987 1.00 41.41 C ATOM 668 NZ LYS A 40 -15.466 -8.870 11.664 1.00 30.13 N ATOM 0 H LYS A 40 -12.987 -4.694 9.596 1.00 64.43 H new ATOM 0 HA LYS A 40 -12.608 -4.388 12.288 1.00 11.33 H new ATOM 0 HB2 LYS A 40 -11.262 -6.435 10.442 1.00 22.33 H new ATOM 0 HB3 LYS A 40 -11.453 -6.619 12.174 1.00 22.33 H new ATOM 0 HG2 LYS A 40 -13.746 -6.466 10.174 1.00 65.41 H new ATOM 0 HG3 LYS A 40 -13.102 -7.947 10.854 1.00 65.41 H new ATOM 0 HD2 LYS A 40 -13.781 -7.213 13.138 1.00 10.32 H new ATOM 0 HD3 LYS A 40 -14.388 -5.704 12.485 1.00 10.32 H new ATOM 0 HE2 LYS A 40 -16.239 -7.307 12.862 1.00 41.41 H new ATOM 0 HE3 LYS A 40 -16.094 -6.913 11.161 1.00 41.41 H new ATOM 0 HZ1 LYS A 40 -16.408 -9.309 11.640 1.00 30.13 H new ATOM 0 HZ2 LYS A 40 -15.010 -8.977 10.735 1.00 30.13 H new ATOM 0 HZ3 LYS A 40 -14.885 -9.336 12.390 1.00 30.13 H new ATOM 682 N GLU A 41 -9.680 -4.277 10.692 1.00 2.54 N ATOM 683 CA GLU A 41 -8.242 -3.998 10.829 1.00 42.05 C ATOM 684 C GLU A 41 -7.981 -2.495 11.023 1.00 3.31 C ATOM 685 O GLU A 41 -7.104 -2.128 11.799 1.00 64.03 O ATOM 686 CB GLU A 41 -7.467 -4.575 9.608 1.00 25.12 C ATOM 687 CG GLU A 41 -7.697 -6.096 9.360 1.00 23.44 C ATOM 688 CD GLU A 41 -7.162 -7.042 10.468 1.00 42.55 C ATOM 689 OE1 GLU A 41 -7.638 -6.990 11.623 1.00 52.20 O ATOM 690 OE2 GLU A 41 -6.275 -7.869 10.181 1.00 61.34 O ATOM 0 H GLU A 41 -9.950 -4.598 9.762 1.00 2.54 H new ATOM 0 HA GLU A 41 -7.872 -4.496 11.725 1.00 42.05 H new ATOM 0 HB2 GLU A 41 -7.761 -4.025 8.714 1.00 25.12 H new ATOM 0 HB3 GLU A 41 -6.401 -4.400 9.754 1.00 25.12 H new ATOM 0 HG2 GLU A 41 -8.767 -6.270 9.244 1.00 23.44 H new ATOM 0 HG3 GLU A 41 -7.225 -6.368 8.416 1.00 23.44 H new ATOM 697 N MET A 42 -8.791 -1.640 10.357 1.00 74.31 N ATOM 698 CA MET A 42 -8.671 -0.168 10.474 1.00 34.24 C ATOM 699 C MET A 42 -9.046 0.323 11.882 1.00 0.34 C ATOM 700 O MET A 42 -8.444 1.285 12.384 1.00 40.45 O ATOM 701 CB MET A 42 -9.528 0.556 9.400 1.00 14.54 C ATOM 702 CG MET A 42 -8.976 0.408 7.977 1.00 24.22 C ATOM 703 SD MET A 42 -7.257 0.950 7.846 1.00 21.22 S ATOM 704 CE MET A 42 -7.383 2.684 8.264 1.00 52.34 C ATOM 0 H MET A 42 -9.537 -1.945 9.731 1.00 74.31 H new ATOM 0 HA MET A 42 -7.624 0.081 10.301 1.00 34.24 H new ATOM 0 HB2 MET A 42 -10.544 0.162 9.430 1.00 14.54 H new ATOM 0 HB3 MET A 42 -9.590 1.615 9.649 1.00 14.54 H new ATOM 0 HG2 MET A 42 -9.050 -0.635 7.668 1.00 24.22 H new ATOM 0 HG3 MET A 42 -9.591 0.989 7.289 1.00 24.22 H new ATOM 0 HE1 MET A 42 -6.405 3.057 8.569 1.00 52.34 H new ATOM 0 HE2 MET A 42 -7.730 3.243 7.395 1.00 52.34 H new ATOM 0 HE3 MET A 42 -8.091 2.810 9.083 1.00 52.34 H new ATOM 714 N LYS A 43 -10.039 -0.343 12.513 1.00 52.03 N ATOM 715 CA LYS A 43 -10.439 -0.023 13.899 1.00 40.31 C ATOM 716 C LYS A 43 -9.282 -0.366 14.854 1.00 50.31 C ATOM 717 O LYS A 43 -8.965 0.405 15.760 1.00 13.11 O ATOM 718 CB LYS A 43 -11.723 -0.785 14.334 1.00 13.32 C ATOM 719 CG LYS A 43 -12.927 -0.676 13.378 1.00 70.44 C ATOM 720 CD LYS A 43 -13.346 0.776 13.044 1.00 30.23 C ATOM 721 CE LYS A 43 -14.529 0.815 12.066 1.00 51.15 C ATOM 722 NZ LYS A 43 -14.973 2.200 11.768 1.00 1.45 N ATOM 0 H LYS A 43 -10.574 -1.100 12.087 1.00 52.03 H new ATOM 0 HA LYS A 43 -10.665 1.042 13.942 1.00 40.31 H new ATOM 0 HB2 LYS A 43 -11.473 -1.839 14.454 1.00 13.32 H new ATOM 0 HB3 LYS A 43 -12.027 -0.416 15.314 1.00 13.32 H new ATOM 0 HG2 LYS A 43 -12.687 -1.195 12.450 1.00 70.44 H new ATOM 0 HG3 LYS A 43 -13.777 -1.194 13.822 1.00 70.44 H new ATOM 0 HD2 LYS A 43 -13.616 1.297 13.962 1.00 30.23 H new ATOM 0 HD3 LYS A 43 -12.499 1.309 12.612 1.00 30.23 H new ATOM 0 HE2 LYS A 43 -14.245 0.320 11.137 1.00 51.15 H new ATOM 0 HE3 LYS A 43 -15.362 0.252 12.486 1.00 51.15 H new ATOM 0 HZ1 LYS A 43 -15.773 2.173 11.104 1.00 1.45 H new ATOM 0 HZ2 LYS A 43 -15.270 2.666 12.649 1.00 1.45 H new ATOM 0 HZ3 LYS A 43 -14.188 2.732 11.342 1.00 1.45 H new ATOM 736 N LYS A 44 -8.633 -1.515 14.583 1.00 31.15 N ATOM 737 CA LYS A 44 -7.490 -2.025 15.367 1.00 11.32 C ATOM 738 C LYS A 44 -6.274 -1.079 15.267 1.00 41.33 C ATOM 739 O LYS A 44 -5.547 -0.886 16.252 1.00 21.35 O ATOM 740 CB LYS A 44 -7.112 -3.448 14.874 1.00 24.01 C ATOM 741 CG LYS A 44 -8.241 -4.502 15.004 1.00 0.21 C ATOM 742 CD LYS A 44 -8.596 -4.847 16.463 1.00 10.43 C ATOM 743 CE LYS A 44 -7.436 -5.508 17.224 1.00 32.41 C ATOM 744 NZ LYS A 44 -7.010 -6.789 16.593 1.00 74.40 N ATOM 0 H LYS A 44 -8.890 -2.122 13.805 1.00 31.15 H new ATOM 0 HA LYS A 44 -7.785 -2.073 16.415 1.00 11.32 H new ATOM 0 HB2 LYS A 44 -6.810 -3.387 13.828 1.00 24.01 H new ATOM 0 HB3 LYS A 44 -6.245 -3.794 15.437 1.00 24.01 H new ATOM 0 HG2 LYS A 44 -9.133 -4.131 14.500 1.00 0.21 H new ATOM 0 HG3 LYS A 44 -7.938 -5.413 14.487 1.00 0.21 H new ATOM 0 HD2 LYS A 44 -8.893 -3.937 16.984 1.00 10.43 H new ATOM 0 HD3 LYS A 44 -9.457 -5.515 16.473 1.00 10.43 H new ATOM 0 HE2 LYS A 44 -6.589 -4.823 17.260 1.00 32.41 H new ATOM 0 HE3 LYS A 44 -7.739 -5.695 18.254 1.00 32.41 H new ATOM 0 HZ1 LYS A 44 -6.335 -7.276 17.217 1.00 74.40 H new ATOM 0 HZ2 LYS A 44 -7.842 -7.395 16.443 1.00 74.40 H new ATOM 0 HZ3 LYS A 44 -6.556 -6.591 15.679 1.00 74.40 H new ATOM 758 N LEU A 45 -6.076 -0.487 14.068 1.00 2.13 N ATOM 759 CA LEU A 45 -4.991 0.489 13.816 1.00 33.30 C ATOM 760 C LEU A 45 -5.190 1.770 14.645 1.00 41.25 C ATOM 761 O LEU A 45 -4.217 2.411 15.041 1.00 23.22 O ATOM 762 CB LEU A 45 -4.892 0.840 12.304 1.00 62.51 C ATOM 763 CG LEU A 45 -4.540 -0.341 11.349 1.00 31.33 C ATOM 764 CD1 LEU A 45 -4.399 0.133 9.887 1.00 32.34 C ATOM 765 CD2 LEU A 45 -3.288 -1.102 11.835 1.00 75.01 C ATOM 0 H LEU A 45 -6.660 -0.671 13.252 1.00 2.13 H new ATOM 0 HA LEU A 45 -4.056 0.021 14.124 1.00 33.30 H new ATOM 0 HB2 LEU A 45 -5.844 1.266 11.987 1.00 62.51 H new ATOM 0 HB3 LEU A 45 -4.138 1.618 12.181 1.00 62.51 H new ATOM 0 HG LEU A 45 -5.372 -1.044 11.373 1.00 31.33 H new ATOM 0 HD11 LEU A 45 -4.153 -0.717 9.251 1.00 32.34 H new ATOM 0 HD12 LEU A 45 -5.339 0.575 9.555 1.00 32.34 H new ATOM 0 HD13 LEU A 45 -3.605 0.877 9.821 1.00 32.34 H new ATOM 0 HD21 LEU A 45 -3.069 -1.919 11.148 1.00 75.01 H new ATOM 0 HD22 LEU A 45 -2.438 -0.420 11.870 1.00 75.01 H new ATOM 0 HD23 LEU A 45 -3.471 -1.505 12.831 1.00 75.01 H new ATOM 777 N ALA A 46 -6.465 2.118 14.894 1.00 60.21 N ATOM 778 CA ALA A 46 -6.841 3.277 15.720 1.00 13.42 C ATOM 779 C ALA A 46 -6.782 2.934 17.227 1.00 62.20 C ATOM 780 O ALA A 46 -6.595 3.825 18.064 1.00 71.32 O ATOM 781 CB ALA A 46 -8.243 3.767 15.332 1.00 65.44 C ATOM 0 H ALA A 46 -7.264 1.602 14.527 1.00 60.21 H new ATOM 0 HA ALA A 46 -6.123 4.076 15.534 1.00 13.42 H new ATOM 0 HB1 ALA A 46 -8.512 4.625 15.949 1.00 65.44 H new ATOM 0 HB2 ALA A 46 -8.249 4.059 14.282 1.00 65.44 H new ATOM 0 HB3 ALA A 46 -8.965 2.966 15.490 1.00 65.44 H new ATOM 888 N LYS A 53 4.910 0.245 12.068 1.00 25.40 N ATOM 889 CA LYS A 53 4.880 0.190 10.612 1.00 11.14 C ATOM 890 C LYS A 53 4.025 -1.005 10.160 1.00 3.44 C ATOM 891 O LYS A 53 4.476 -2.160 10.178 1.00 52.24 O ATOM 892 CB LYS A 53 6.336 0.089 10.109 1.00 65.41 C ATOM 893 CG LYS A 53 7.229 1.255 10.604 1.00 53.24 C ATOM 894 CD LYS A 53 8.727 1.045 10.326 1.00 70.41 C ATOM 895 CE LYS A 53 9.281 -0.244 10.966 1.00 31.53 C ATOM 896 NZ LYS A 53 8.985 -0.323 12.421 1.00 12.24 N ATOM 0 HA LYS A 53 4.426 1.086 10.190 1.00 11.14 H new ATOM 0 HB2 LYS A 53 6.765 -0.856 10.441 1.00 65.41 H new ATOM 0 HB3 LYS A 53 6.338 0.074 9.019 1.00 65.41 H new ATOM 0 HG2 LYS A 53 6.905 2.179 10.124 1.00 53.24 H new ATOM 0 HG3 LYS A 53 7.082 1.384 11.676 1.00 53.24 H new ATOM 0 HD2 LYS A 53 8.890 1.009 9.249 1.00 70.41 H new ATOM 0 HD3 LYS A 53 9.285 1.901 10.704 1.00 70.41 H new ATOM 0 HE2 LYS A 53 8.852 -1.110 10.463 1.00 31.53 H new ATOM 0 HE3 LYS A 53 10.359 -0.288 10.814 1.00 31.53 H new ATOM 0 HZ1 LYS A 53 9.476 -1.143 12.831 1.00 12.24 H new ATOM 0 HZ2 LYS A 53 9.312 0.546 12.889 1.00 12.24 H new ATOM 0 HZ3 LYS A 53 7.960 -0.427 12.562 1.00 12.24 H new ATOM 910 N ILE A 54 2.768 -0.710 9.808 1.00 1.05 N ATOM 911 CA ILE A 54 1.778 -1.708 9.390 1.00 62.11 C ATOM 912 C ILE A 54 1.584 -1.625 7.869 1.00 61.23 C ATOM 913 O ILE A 54 1.296 -0.557 7.334 1.00 12.01 O ATOM 914 CB ILE A 54 0.395 -1.472 10.102 1.00 61.32 C ATOM 915 CG1 ILE A 54 0.546 -1.508 11.661 1.00 14.20 C ATOM 916 CG2 ILE A 54 -0.677 -2.479 9.606 1.00 60.23 C ATOM 917 CD1 ILE A 54 1.044 -2.824 12.232 1.00 13.14 C ATOM 0 H ILE A 54 2.405 0.243 9.806 1.00 1.05 H new ATOM 0 HA ILE A 54 2.146 -2.694 9.672 1.00 62.11 H new ATOM 0 HB ILE A 54 0.049 -0.474 9.831 1.00 61.32 H new ATOM 0 HG12 ILE A 54 1.233 -0.717 11.962 1.00 14.20 H new ATOM 0 HG13 ILE A 54 -0.421 -1.279 12.109 1.00 14.20 H new ATOM 0 HG21 ILE A 54 -1.620 -2.288 10.118 1.00 60.23 H new ATOM 0 HG22 ILE A 54 -0.817 -2.361 8.531 1.00 60.23 H new ATOM 0 HG23 ILE A 54 -0.348 -3.496 9.820 1.00 60.23 H new ATOM 0 HD11 ILE A 54 1.114 -2.746 13.317 1.00 13.14 H new ATOM 0 HD12 ILE A 54 0.348 -3.621 11.969 1.00 13.14 H new ATOM 0 HD13 ILE A 54 2.027 -3.050 11.820 1.00 13.14 H new ATOM 929 N LEU A 55 1.740 -2.758 7.193 1.00 53.25 N ATOM 930 CA LEU A 55 1.538 -2.872 5.747 1.00 11.41 C ATOM 931 C LEU A 55 0.162 -3.514 5.490 1.00 73.30 C ATOM 932 O LEU A 55 -0.151 -4.550 6.064 1.00 54.53 O ATOM 933 CB LEU A 55 2.707 -3.696 5.140 1.00 35.40 C ATOM 934 CG LEU A 55 2.882 -3.635 3.579 1.00 63.51 C ATOM 935 CD1 LEU A 55 4.340 -3.898 3.186 1.00 11.24 C ATOM 936 CD2 LEU A 55 1.949 -4.611 2.832 1.00 42.24 C ATOM 0 H LEU A 55 2.013 -3.635 7.636 1.00 53.25 H new ATOM 0 HA LEU A 55 1.542 -1.895 5.264 1.00 11.41 H new ATOM 0 HB2 LEU A 55 3.636 -3.357 5.599 1.00 35.40 H new ATOM 0 HB3 LEU A 55 2.572 -4.739 5.426 1.00 35.40 H new ATOM 0 HG LEU A 55 2.600 -2.626 3.277 1.00 63.51 H new ATOM 0 HD11 LEU A 55 4.439 -3.851 2.101 1.00 11.24 H new ATOM 0 HD12 LEU A 55 4.981 -3.144 3.642 1.00 11.24 H new ATOM 0 HD13 LEU A 55 4.638 -4.887 3.535 1.00 11.24 H new ATOM 0 HD21 LEU A 55 2.115 -4.524 1.758 1.00 42.24 H new ATOM 0 HD22 LEU A 55 2.161 -5.632 3.150 1.00 42.24 H new ATOM 0 HD23 LEU A 55 0.911 -4.368 3.059 1.00 42.24 H new ATOM 948 N ILE A 56 -0.659 -2.863 4.651 1.00 70.33 N ATOM 949 CA ILE A 56 -1.973 -3.378 4.225 1.00 43.53 C ATOM 950 C ILE A 56 -1.910 -3.734 2.718 1.00 44.44 C ATOM 951 O ILE A 56 -1.633 -2.864 1.882 1.00 72.25 O ATOM 952 CB ILE A 56 -3.127 -2.319 4.444 1.00 3.34 C ATOM 953 CG1 ILE A 56 -3.129 -1.712 5.891 1.00 22.54 C ATOM 954 CG2 ILE A 56 -4.512 -2.934 4.099 1.00 54.22 C ATOM 955 CD1 ILE A 56 -3.463 -2.685 7.008 1.00 43.12 C ATOM 0 H ILE A 56 -0.429 -1.956 4.245 1.00 70.33 H new ATOM 0 HA ILE A 56 -2.198 -4.256 4.831 1.00 43.53 H new ATOM 0 HB ILE A 56 -2.929 -1.493 3.760 1.00 3.34 H new ATOM 0 HG12 ILE A 56 -2.146 -1.284 6.088 1.00 22.54 H new ATOM 0 HG13 ILE A 56 -3.846 -0.892 5.921 1.00 22.54 H new ATOM 0 HG21 ILE A 56 -5.291 -2.188 4.257 1.00 54.22 H new ATOM 0 HG22 ILE A 56 -4.520 -3.251 3.056 1.00 54.22 H new ATOM 0 HG23 ILE A 56 -4.698 -3.795 4.742 1.00 54.22 H new ATOM 0 HD11 ILE A 56 -3.437 -2.164 7.965 1.00 43.12 H new ATOM 0 HD12 ILE A 56 -4.459 -3.096 6.846 1.00 43.12 H new ATOM 0 HD13 ILE A 56 -2.733 -3.494 7.016 1.00 43.12 H new ATOM 967 N ILE A 57 -2.149 -5.013 2.389 1.00 73.34 N ATOM 968 CA ILE A 57 -2.307 -5.479 1.000 1.00 10.33 C ATOM 969 C ILE A 57 -3.808 -5.520 0.656 1.00 63.44 C ATOM 970 O ILE A 57 -4.604 -6.094 1.405 1.00 31.42 O ATOM 971 CB ILE A 57 -1.652 -6.903 0.785 1.00 64.54 C ATOM 972 CG1 ILE A 57 -0.116 -6.837 1.073 1.00 53.44 C ATOM 973 CG2 ILE A 57 -1.938 -7.460 -0.638 1.00 42.33 C ATOM 974 CD1 ILE A 57 0.647 -8.141 0.896 1.00 54.10 C ATOM 0 H ILE A 57 -2.239 -5.757 3.081 1.00 73.34 H new ATOM 0 HA ILE A 57 -1.792 -4.785 0.336 1.00 10.33 H new ATOM 0 HB ILE A 57 -2.108 -7.596 1.492 1.00 64.54 H new ATOM 0 HG12 ILE A 57 0.326 -6.087 0.416 1.00 53.44 H new ATOM 0 HG13 ILE A 57 0.028 -6.489 2.096 1.00 53.44 H new ATOM 0 HG21 ILE A 57 -1.471 -8.439 -0.746 1.00 42.33 H new ATOM 0 HG22 ILE A 57 -3.014 -7.553 -0.783 1.00 42.33 H new ATOM 0 HG23 ILE A 57 -1.529 -6.779 -1.384 1.00 42.33 H new ATOM 0 HD11 ILE A 57 1.701 -7.979 1.121 1.00 54.10 H new ATOM 0 HD12 ILE A 57 0.243 -8.894 1.573 1.00 54.10 H new ATOM 0 HD13 ILE A 57 0.545 -8.486 -0.133 1.00 54.10 H new ATOM 986 N SER A 58 -4.182 -4.895 -0.476 1.00 1.22 N ATOM 987 CA SER A 58 -5.560 -4.908 -0.994 1.00 20.02 C ATOM 988 C SER A 58 -5.511 -5.043 -2.523 1.00 44.04 C ATOM 989 O SER A 58 -4.884 -4.224 -3.199 1.00 60.33 O ATOM 990 CB SER A 58 -6.327 -3.621 -0.576 1.00 33.23 C ATOM 991 OG SER A 58 -7.676 -3.644 -1.030 1.00 24.42 O ATOM 0 H SER A 58 -3.533 -4.365 -1.058 1.00 1.22 H new ATOM 0 HA SER A 58 -6.098 -5.756 -0.569 1.00 20.02 H new ATOM 0 HB2 SER A 58 -6.309 -3.523 0.509 1.00 33.23 H new ATOM 0 HB3 SER A 58 -5.820 -2.746 -0.984 1.00 33.23 H new ATOM 0 HG SER A 58 -7.752 -3.121 -1.855 1.00 24.42 H new ATOM 997 N ASN A 59 -6.169 -6.089 -3.049 1.00 11.15 N ATOM 998 CA ASN A 59 -6.259 -6.364 -4.501 1.00 15.13 C ATOM 999 C ASN A 59 -7.326 -5.494 -5.165 1.00 43.21 C ATOM 1000 O ASN A 59 -7.271 -5.241 -6.370 1.00 13.41 O ATOM 1001 CB ASN A 59 -6.580 -7.858 -4.748 1.00 34.10 C ATOM 1002 CG ASN A 59 -5.407 -8.764 -4.406 1.00 53.42 C ATOM 1003 OD1 ASN A 59 -5.291 -9.259 -3.288 1.00 22.11 O ATOM 1004 ND2 ASN A 59 -4.520 -8.969 -5.365 1.00 34.00 N ATOM 0 H ASN A 59 -6.659 -6.777 -2.477 1.00 11.15 H new ATOM 0 HA ASN A 59 -5.292 -6.123 -4.944 1.00 15.13 H new ATOM 0 HB2 ASN A 59 -7.445 -8.145 -4.150 1.00 34.10 H new ATOM 0 HB3 ASN A 59 -6.854 -8.001 -5.793 1.00 34.10 H new ATOM 0 HD21 ASN A 59 -3.705 -9.556 -5.189 1.00 34.00 H new ATOM 0 HD22 ASN A 59 -4.651 -8.540 -6.281 1.00 34.00 H new ATOM 1011 N ASP A 60 -8.275 -5.013 -4.358 1.00 34.24 N ATOM 1012 CA ASP A 60 -9.396 -4.201 -4.824 1.00 24.12 C ATOM 1013 C ASP A 60 -9.024 -2.746 -4.612 1.00 64.30 C ATOM 1014 O ASP A 60 -8.800 -2.315 -3.473 1.00 74.42 O ATOM 1015 CB ASP A 60 -10.703 -4.537 -4.060 1.00 22.13 C ATOM 1016 CG ASP A 60 -11.270 -5.923 -4.404 1.00 64.33 C ATOM 1017 OD1 ASP A 60 -10.861 -6.924 -3.781 1.00 35.30 O ATOM 1018 OD2 ASP A 60 -12.137 -6.016 -5.297 1.00 41.22 O ATOM 0 H ASP A 60 -8.284 -5.180 -3.352 1.00 34.24 H new ATOM 0 HA ASP A 60 -9.584 -4.408 -5.878 1.00 24.12 H new ATOM 0 HB2 ASP A 60 -10.512 -4.486 -2.988 1.00 22.13 H new ATOM 0 HB3 ASP A 60 -11.453 -3.779 -4.286 1.00 22.13 H new ATOM 1023 N LYS A 61 -8.939 -2.001 -5.713 1.00 14.50 N ATOM 1024 CA LYS A 61 -8.656 -0.560 -5.684 1.00 73.15 C ATOM 1025 C LYS A 61 -9.864 0.227 -5.125 1.00 21.43 C ATOM 1026 O LYS A 61 -9.722 1.384 -4.725 1.00 40.45 O ATOM 1027 CB LYS A 61 -8.226 -0.087 -7.091 1.00 55.04 C ATOM 1028 CG LYS A 61 -9.249 -0.374 -8.214 1.00 13.30 C ATOM 1029 CD LYS A 61 -8.596 -0.391 -9.615 1.00 40.23 C ATOM 1030 CE LYS A 61 -9.588 -0.769 -10.723 1.00 52.33 C ATOM 1031 NZ LYS A 61 -8.892 -1.072 -11.996 1.00 65.01 N ATOM 0 H LYS A 61 -9.064 -2.376 -6.653 1.00 14.50 H new ATOM 0 HA LYS A 61 -7.826 -0.362 -5.006 1.00 73.15 H new ATOM 0 HB2 LYS A 61 -8.038 0.986 -7.056 1.00 55.04 H new ATOM 0 HB3 LYS A 61 -7.282 -0.568 -7.348 1.00 55.04 H new ATOM 0 HG2 LYS A 61 -9.729 -1.335 -8.028 1.00 13.30 H new ATOM 0 HG3 LYS A 61 -10.033 0.383 -8.190 1.00 13.30 H new ATOM 0 HD2 LYS A 61 -8.176 0.592 -9.828 1.00 40.23 H new ATOM 0 HD3 LYS A 61 -7.767 -1.099 -9.617 1.00 40.23 H new ATOM 0 HE2 LYS A 61 -10.171 -1.636 -10.411 1.00 52.33 H new ATOM 0 HE3 LYS A 61 -10.291 0.049 -10.878 1.00 52.33 H new ATOM 0 HZ1 LYS A 61 -9.592 -1.324 -12.723 1.00 65.01 H new ATOM 0 HZ2 LYS A 61 -8.356 -0.236 -12.306 1.00 65.01 H new ATOM 0 HZ3 LYS A 61 -8.239 -1.869 -11.854 1.00 65.01 H new ATOM 1045 N GLN A 62 -11.042 -0.446 -5.066 1.00 11.21 N ATOM 1046 CA GLN A 62 -12.226 0.050 -4.348 1.00 52.52 C ATOM 1047 C GLN A 62 -11.916 0.140 -2.844 1.00 10.30 C ATOM 1048 O GLN A 62 -12.022 1.213 -2.244 1.00 74.52 O ATOM 1049 CB GLN A 62 -13.445 -0.886 -4.580 1.00 63.44 C ATOM 1050 CG GLN A 62 -14.739 -0.451 -3.850 1.00 31.40 C ATOM 1051 CD GLN A 62 -15.901 -1.421 -4.055 1.00 72.24 C ATOM 1052 OE1 GLN A 62 -16.081 -2.363 -3.287 1.00 75.04 O ATOM 1053 NE2 GLN A 62 -16.698 -1.196 -5.086 1.00 61.41 N ATOM 0 H GLN A 62 -11.189 -1.348 -5.518 1.00 11.21 H new ATOM 0 HA GLN A 62 -12.476 1.040 -4.730 1.00 52.52 H new ATOM 0 HB2 GLN A 62 -13.647 -0.939 -5.650 1.00 63.44 H new ATOM 0 HB3 GLN A 62 -13.181 -1.892 -4.255 1.00 63.44 H new ATOM 0 HG2 GLN A 62 -14.534 -0.360 -2.783 1.00 31.40 H new ATOM 0 HG3 GLN A 62 -15.033 0.537 -4.203 1.00 31.40 H new ATOM 0 HE21 GLN A 62 -16.521 -0.405 -5.705 1.00 61.41 H new ATOM 0 HE22 GLN A 62 -17.490 -1.814 -5.263 1.00 61.41 H new ATOM 1062 N LEU A 63 -11.483 -1.008 -2.274 1.00 3.24 N ATOM 1063 CA LEU A 63 -11.143 -1.134 -0.843 1.00 10.15 C ATOM 1064 C LEU A 63 -9.903 -0.295 -0.495 1.00 63.42 C ATOM 1065 O LEU A 63 -9.740 0.133 0.639 1.00 22.12 O ATOM 1066 CB LEU A 63 -10.908 -2.625 -0.465 1.00 64.40 C ATOM 1067 CG LEU A 63 -12.122 -3.586 -0.652 1.00 42.14 C ATOM 1068 CD1 LEU A 63 -11.773 -5.021 -0.199 1.00 51.41 C ATOM 1069 CD2 LEU A 63 -13.375 -3.048 0.073 1.00 61.15 C ATOM 0 H LEU A 63 -11.360 -1.874 -2.798 1.00 3.24 H new ATOM 0 HA LEU A 63 -11.985 -0.755 -0.264 1.00 10.15 H new ATOM 0 HB2 LEU A 63 -10.078 -3.002 -1.062 1.00 64.40 H new ATOM 0 HB3 LEU A 63 -10.595 -2.668 0.578 1.00 64.40 H new ATOM 0 HG LEU A 63 -12.355 -3.629 -1.716 1.00 42.14 H new ATOM 0 HD11 LEU A 63 -12.639 -5.668 -0.341 1.00 51.41 H new ATOM 0 HD12 LEU A 63 -10.938 -5.396 -0.791 1.00 51.41 H new ATOM 0 HD13 LEU A 63 -11.496 -5.012 0.855 1.00 51.41 H new ATOM 0 HD21 LEU A 63 -14.205 -3.738 -0.075 1.00 61.15 H new ATOM 0 HD22 LEU A 63 -13.166 -2.954 1.139 1.00 61.15 H new ATOM 0 HD23 LEU A 63 -13.639 -2.071 -0.333 1.00 61.15 H new ATOM 1081 N LEU A 64 -9.039 -0.085 -1.494 1.00 70.04 N ATOM 1082 CA LEU A 64 -7.874 0.801 -1.392 1.00 22.03 C ATOM 1083 C LEU A 64 -8.333 2.248 -1.123 1.00 54.11 C ATOM 1084 O LEU A 64 -7.819 2.899 -0.211 1.00 35.53 O ATOM 1085 CB LEU A 64 -7.031 0.653 -2.692 1.00 53.44 C ATOM 1086 CG LEU A 64 -5.804 1.608 -2.921 1.00 33.43 C ATOM 1087 CD1 LEU A 64 -4.746 0.927 -3.804 1.00 21.11 C ATOM 1088 CD2 LEU A 64 -6.219 2.951 -3.570 1.00 44.52 C ATOM 0 H LEU A 64 -9.130 -0.531 -2.407 1.00 70.04 H new ATOM 0 HA LEU A 64 -7.240 0.525 -0.550 1.00 22.03 H new ATOM 0 HB2 LEU A 64 -6.661 -0.372 -2.729 1.00 53.44 H new ATOM 0 HB3 LEU A 64 -7.707 0.778 -3.538 1.00 53.44 H new ATOM 0 HG LEU A 64 -5.386 1.821 -1.937 1.00 33.43 H new ATOM 0 HD11 LEU A 64 -3.904 1.604 -3.951 1.00 21.11 H new ATOM 0 HD12 LEU A 64 -4.398 0.016 -3.318 1.00 21.11 H new ATOM 0 HD13 LEU A 64 -5.184 0.678 -4.770 1.00 21.11 H new ATOM 0 HD21 LEU A 64 -5.337 3.576 -3.708 1.00 44.52 H new ATOM 0 HD22 LEU A 64 -6.683 2.760 -4.538 1.00 44.52 H new ATOM 0 HD23 LEU A 64 -6.930 3.464 -2.922 1.00 44.52 H new ATOM 1100 N LYS A 65 -9.308 2.734 -1.925 1.00 24.21 N ATOM 1101 CA LYS A 65 -9.882 4.091 -1.772 1.00 65.52 C ATOM 1102 C LYS A 65 -10.530 4.274 -0.388 1.00 33.33 C ATOM 1103 O LYS A 65 -10.242 5.258 0.299 1.00 33.32 O ATOM 1104 CB LYS A 65 -10.912 4.379 -2.890 1.00 23.34 C ATOM 1105 CG LYS A 65 -10.300 4.536 -4.302 1.00 42.20 C ATOM 1106 CD LYS A 65 -11.387 4.724 -5.390 1.00 54.11 C ATOM 1107 CE LYS A 65 -12.264 5.974 -5.161 1.00 42.40 C ATOM 1108 NZ LYS A 65 -13.420 6.022 -6.093 1.00 32.40 N ATOM 0 H LYS A 65 -9.717 2.200 -2.692 1.00 24.21 H new ATOM 0 HA LYS A 65 -9.064 4.806 -1.858 1.00 65.52 H new ATOM 0 HB2 LYS A 65 -11.641 3.569 -2.912 1.00 23.34 H new ATOM 0 HB3 LYS A 65 -11.455 5.290 -2.640 1.00 23.34 H new ATOM 0 HG2 LYS A 65 -9.626 5.393 -4.311 1.00 42.20 H new ATOM 0 HG3 LYS A 65 -9.701 3.656 -4.537 1.00 42.20 H new ATOM 0 HD2 LYS A 65 -10.907 4.798 -6.366 1.00 54.11 H new ATOM 0 HD3 LYS A 65 -12.024 3.840 -5.415 1.00 54.11 H new ATOM 0 HE2 LYS A 65 -12.627 5.979 -4.133 1.00 42.40 H new ATOM 0 HE3 LYS A 65 -11.658 6.871 -5.289 1.00 42.40 H new ATOM 0 HZ1 LYS A 65 -13.982 6.877 -5.905 1.00 32.40 H new ATOM 0 HZ2 LYS A 65 -13.075 6.044 -7.074 1.00 32.40 H new ATOM 0 HZ3 LYS A 65 -14.014 5.180 -5.953 1.00 32.40 H new ATOM 1122 N GLU A 66 -11.381 3.296 0.010 1.00 35.24 N ATOM 1123 CA GLU A 66 -12.081 3.317 1.312 1.00 51.11 C ATOM 1124 C GLU A 66 -11.060 3.416 2.464 1.00 54.41 C ATOM 1125 O GLU A 66 -11.202 4.245 3.371 1.00 53.14 O ATOM 1126 CB GLU A 66 -12.944 2.038 1.503 1.00 34.33 C ATOM 1127 CG GLU A 66 -13.936 1.718 0.368 1.00 33.34 C ATOM 1128 CD GLU A 66 -14.926 2.853 0.056 1.00 12.03 C ATOM 1129 OE1 GLU A 66 -15.687 3.263 0.958 1.00 72.01 O ATOM 1130 OE2 GLU A 66 -14.981 3.314 -1.098 1.00 31.11 O ATOM 0 H GLU A 66 -11.598 2.478 -0.560 1.00 35.24 H new ATOM 0 HA GLU A 66 -12.736 4.189 1.324 1.00 51.11 H new ATOM 0 HB2 GLU A 66 -12.274 1.187 1.625 1.00 34.33 H new ATOM 0 HB3 GLU A 66 -13.505 2.137 2.432 1.00 34.33 H new ATOM 0 HG2 GLU A 66 -13.373 1.483 -0.536 1.00 33.34 H new ATOM 0 HG3 GLU A 66 -14.499 0.823 0.634 1.00 33.34 H new ATOM 1137 N MET A 67 -10.013 2.567 2.354 1.00 14.41 N ATOM 1138 CA MET A 67 -8.909 2.461 3.323 1.00 14.13 C ATOM 1139 C MET A 67 -8.248 3.832 3.543 1.00 42.31 C ATOM 1140 O MET A 67 -8.164 4.301 4.672 1.00 30.21 O ATOM 1141 CB MET A 67 -7.852 1.449 2.799 1.00 15.20 C ATOM 1142 CG MET A 67 -6.794 1.013 3.826 1.00 24.42 C ATOM 1143 SD MET A 67 -7.447 -0.134 5.060 1.00 53.12 S ATOM 1144 CE MET A 67 -7.930 -1.539 4.055 1.00 72.43 C ATOM 0 H MET A 67 -9.914 1.923 1.569 1.00 14.41 H new ATOM 0 HA MET A 67 -9.311 2.112 4.274 1.00 14.13 H new ATOM 0 HB2 MET A 67 -8.371 0.561 2.437 1.00 15.20 H new ATOM 0 HB3 MET A 67 -7.343 1.891 1.943 1.00 15.20 H new ATOM 0 HG2 MET A 67 -5.960 0.543 3.305 1.00 24.42 H new ATOM 0 HG3 MET A 67 -6.398 1.895 4.330 1.00 24.42 H new ATOM 0 HE1 MET A 67 -7.516 -2.452 4.483 1.00 72.43 H new ATOM 0 HE2 MET A 67 -9.017 -1.611 4.029 1.00 72.43 H new ATOM 0 HE3 MET A 67 -7.550 -1.409 3.042 1.00 72.43 H new ATOM 1154 N LEU A 68 -7.841 4.475 2.427 1.00 73.40 N ATOM 1155 CA LEU A 68 -7.107 5.759 2.434 1.00 35.13 C ATOM 1156 C LEU A 68 -7.932 6.876 3.087 1.00 42.04 C ATOM 1157 O LEU A 68 -7.400 7.658 3.865 1.00 53.24 O ATOM 1158 CB LEU A 68 -6.722 6.165 0.991 1.00 14.21 C ATOM 1159 CG LEU A 68 -5.715 5.221 0.271 1.00 31.33 C ATOM 1160 CD1 LEU A 68 -5.621 5.564 -1.217 1.00 35.11 C ATOM 1161 CD2 LEU A 68 -4.322 5.252 0.950 1.00 70.33 C ATOM 0 H LEU A 68 -8.014 4.115 1.489 1.00 73.40 H new ATOM 0 HA LEU A 68 -6.201 5.618 3.024 1.00 35.13 H new ATOM 0 HB2 LEU A 68 -7.632 6.219 0.393 1.00 14.21 H new ATOM 0 HB3 LEU A 68 -6.297 7.168 1.016 1.00 14.21 H new ATOM 0 HG LEU A 68 -6.091 4.201 0.357 1.00 31.33 H new ATOM 0 HD11 LEU A 68 -4.912 4.892 -1.701 1.00 35.11 H new ATOM 0 HD12 LEU A 68 -6.602 5.451 -1.679 1.00 35.11 H new ATOM 0 HD13 LEU A 68 -5.282 6.594 -1.332 1.00 35.11 H new ATOM 0 HD21 LEU A 68 -3.645 4.581 0.421 1.00 70.33 H new ATOM 0 HD22 LEU A 68 -3.925 6.267 0.920 1.00 70.33 H new ATOM 0 HD23 LEU A 68 -4.415 4.930 1.987 1.00 70.33 H new ATOM 1173 N GLU A 69 -9.234 6.930 2.758 1.00 71.25 N ATOM 1174 CA GLU A 69 -10.158 7.943 3.300 1.00 40.43 C ATOM 1175 C GLU A 69 -10.342 7.767 4.823 1.00 24.31 C ATOM 1176 O GLU A 69 -10.514 8.753 5.547 1.00 52.01 O ATOM 1177 CB GLU A 69 -11.510 7.881 2.548 1.00 53.52 C ATOM 1178 CG GLU A 69 -11.401 8.223 1.048 1.00 53.31 C ATOM 1179 CD GLU A 69 -12.735 8.098 0.296 1.00 1.41 C ATOM 1180 OE1 GLU A 69 -13.492 9.092 0.237 1.00 74.14 O ATOM 1181 OE2 GLU A 69 -13.031 7.007 -0.239 1.00 24.14 O ATOM 0 H GLU A 69 -9.675 6.276 2.111 1.00 71.25 H new ATOM 0 HA GLU A 69 -9.728 8.932 3.144 1.00 40.43 H new ATOM 0 HB2 GLU A 69 -11.929 6.880 2.654 1.00 53.52 H new ATOM 0 HB3 GLU A 69 -12.210 8.571 3.019 1.00 53.52 H new ATOM 0 HG2 GLU A 69 -11.026 9.241 0.941 1.00 53.31 H new ATOM 0 HG3 GLU A 69 -10.668 7.563 0.585 1.00 53.31 H new ATOM 1188 N LEU A 70 -10.287 6.506 5.297 1.00 60.45 N ATOM 1189 CA LEU A 70 -10.276 6.194 6.740 1.00 63.02 C ATOM 1190 C LEU A 70 -8.955 6.664 7.390 1.00 50.31 C ATOM 1191 O LEU A 70 -8.975 7.269 8.467 1.00 42.04 O ATOM 1192 CB LEU A 70 -10.498 4.675 6.976 1.00 41.30 C ATOM 1193 CG LEU A 70 -11.899 4.126 6.572 1.00 14.03 C ATOM 1194 CD1 LEU A 70 -11.972 2.595 6.746 1.00 61.42 C ATOM 1195 CD2 LEU A 70 -13.019 4.841 7.359 1.00 74.42 C ATOM 0 H LEU A 70 -10.249 5.682 4.697 1.00 60.45 H new ATOM 0 HA LEU A 70 -11.097 6.733 7.212 1.00 63.02 H new ATOM 0 HB2 LEU A 70 -9.739 4.125 6.420 1.00 41.30 H new ATOM 0 HB3 LEU A 70 -10.336 4.463 8.033 1.00 41.30 H new ATOM 0 HG LEU A 70 -12.051 4.339 5.514 1.00 14.03 H new ATOM 0 HD11 LEU A 70 -12.962 2.243 6.456 1.00 61.42 H new ATOM 0 HD12 LEU A 70 -11.219 2.121 6.116 1.00 61.42 H new ATOM 0 HD13 LEU A 70 -11.787 2.338 7.789 1.00 61.42 H new ATOM 0 HD21 LEU A 70 -13.987 4.440 7.059 1.00 74.42 H new ATOM 0 HD22 LEU A 70 -12.874 4.679 8.427 1.00 74.42 H new ATOM 0 HD23 LEU A 70 -12.987 5.910 7.147 1.00 74.42 H new ATOM 1207 N ILE A 71 -7.813 6.423 6.696 1.00 55.44 N ATOM 1208 CA ILE A 71 -6.468 6.795 7.202 1.00 54.01 C ATOM 1209 C ILE A 71 -6.328 8.329 7.282 1.00 3.53 C ATOM 1210 O ILE A 71 -5.639 8.844 8.164 1.00 34.31 O ATOM 1211 CB ILE A 71 -5.288 6.235 6.314 1.00 61.20 C ATOM 1212 CG1 ILE A 71 -5.406 4.693 6.105 1.00 52.11 C ATOM 1213 CG2 ILE A 71 -3.919 6.592 6.948 1.00 41.12 C ATOM 1214 CD1 ILE A 71 -4.437 4.097 5.088 1.00 52.51 C ATOM 0 H ILE A 71 -7.798 5.971 5.782 1.00 55.44 H new ATOM 0 HA ILE A 71 -6.389 6.343 8.191 1.00 54.01 H new ATOM 0 HB ILE A 71 -5.359 6.707 5.334 1.00 61.20 H new ATOM 0 HG12 ILE A 71 -5.249 4.200 7.064 1.00 52.11 H new ATOM 0 HG13 ILE A 71 -6.424 4.462 5.791 1.00 52.11 H new ATOM 0 HG21 ILE A 71 -3.116 6.199 6.325 1.00 41.12 H new ATOM 0 HG22 ILE A 71 -3.824 7.675 7.022 1.00 41.12 H new ATOM 0 HG23 ILE A 71 -3.853 6.153 7.943 1.00 41.12 H new ATOM 0 HD11 ILE A 71 -4.600 3.022 5.017 1.00 52.51 H new ATOM 0 HD12 ILE A 71 -4.605 4.555 4.113 1.00 52.51 H new ATOM 0 HD13 ILE A 71 -3.412 4.288 5.406 1.00 52.51 H new ATOM 1226 N SER A 72 -7.001 9.037 6.354 1.00 12.50 N ATOM 1227 CA SER A 72 -7.004 10.507 6.292 1.00 32.32 C ATOM 1228 C SER A 72 -7.550 11.103 7.598 1.00 33.13 C ATOM 1229 O SER A 72 -7.016 12.090 8.118 1.00 71.32 O ATOM 1230 CB SER A 72 -7.856 10.982 5.089 1.00 74.43 C ATOM 1231 OG SER A 72 -7.863 12.399 4.974 1.00 75.53 O ATOM 0 H SER A 72 -7.561 8.599 5.622 1.00 12.50 H new ATOM 0 HA SER A 72 -5.979 10.852 6.161 1.00 32.32 H new ATOM 0 HB2 SER A 72 -7.464 10.545 4.171 1.00 74.43 H new ATOM 0 HB3 SER A 72 -8.878 10.621 5.203 1.00 74.43 H new ATOM 0 HG SER A 72 -8.409 12.662 4.204 1.00 75.53 H new ATOM 1237 N LYS A 73 -8.603 10.460 8.121 1.00 3.20 N ATOM 1238 CA LYS A 73 -9.272 10.859 9.363 1.00 42.23 C ATOM 1239 C LYS A 73 -8.408 10.510 10.596 1.00 12.24 C ATOM 1240 O LYS A 73 -8.499 11.177 11.631 1.00 74.43 O ATOM 1241 CB LYS A 73 -10.652 10.158 9.427 1.00 5.35 C ATOM 1242 CG LYS A 73 -11.570 10.485 8.223 1.00 5.05 C ATOM 1243 CD LYS A 73 -12.876 9.662 8.216 1.00 4.23 C ATOM 1244 CE LYS A 73 -13.783 9.998 7.019 1.00 44.13 C ATOM 1245 NZ LYS A 73 -13.120 9.752 5.710 1.00 23.22 N ATOM 0 H LYS A 73 -9.019 9.637 7.686 1.00 3.20 H new ATOM 0 HA LYS A 73 -9.414 11.940 9.372 1.00 42.23 H new ATOM 0 HB2 LYS A 73 -10.501 9.080 9.475 1.00 5.35 H new ATOM 0 HB3 LYS A 73 -11.156 10.451 10.348 1.00 5.35 H new ATOM 0 HG2 LYS A 73 -11.817 11.547 8.240 1.00 5.05 H new ATOM 0 HG3 LYS A 73 -11.025 10.299 7.297 1.00 5.05 H new ATOM 0 HD2 LYS A 73 -12.631 8.600 8.194 1.00 4.23 H new ATOM 0 HD3 LYS A 73 -13.421 9.845 9.142 1.00 4.23 H new ATOM 0 HE2 LYS A 73 -14.693 9.401 7.079 1.00 44.13 H new ATOM 0 HE3 LYS A 73 -14.084 11.044 7.079 1.00 44.13 H new ATOM 0 HZ1 LYS A 73 -12.952 10.659 5.230 1.00 23.22 H new ATOM 0 HZ2 LYS A 73 -12.212 9.270 5.866 1.00 23.22 H new ATOM 0 HZ3 LYS A 73 -13.732 9.155 5.118 1.00 23.22 H new ATOM 1259 N LEU A 74 -7.574 9.461 10.462 1.00 23.12 N ATOM 1260 CA LEU A 74 -6.664 8.996 11.530 1.00 42.12 C ATOM 1261 C LEU A 74 -5.366 9.843 11.582 1.00 31.03 C ATOM 1262 O LEU A 74 -4.777 10.019 12.655 1.00 34.03 O ATOM 1263 CB LEU A 74 -6.319 7.498 11.308 1.00 33.34 C ATOM 1264 CG LEU A 74 -7.514 6.490 11.324 1.00 25.13 C ATOM 1265 CD1 LEU A 74 -7.026 5.044 11.076 1.00 45.21 C ATOM 1266 CD2 LEU A 74 -8.326 6.596 12.635 1.00 1.34 C ATOM 0 H LEU A 74 -7.511 8.909 9.607 1.00 23.12 H new ATOM 0 HA LEU A 74 -7.174 9.115 12.486 1.00 42.12 H new ATOM 0 HB2 LEU A 74 -5.809 7.405 10.349 1.00 33.34 H new ATOM 0 HB3 LEU A 74 -5.609 7.195 12.077 1.00 33.34 H new ATOM 0 HG LEU A 74 -8.183 6.758 10.506 1.00 25.13 H new ATOM 0 HD11 LEU A 74 -7.878 4.365 11.093 1.00 45.21 H new ATOM 0 HD12 LEU A 74 -6.535 4.987 10.104 1.00 45.21 H new ATOM 0 HD13 LEU A 74 -6.320 4.759 11.856 1.00 45.21 H new ATOM 0 HD21 LEU A 74 -9.149 5.881 12.612 1.00 1.34 H new ATOM 0 HD22 LEU A 74 -7.678 6.376 13.483 1.00 1.34 H new ATOM 0 HD23 LEU A 74 -8.725 7.605 12.735 1.00 1.34 H new ATOM 1278 N GLY A 75 -4.934 10.350 10.410 1.00 75.12 N ATOM 1279 CA GLY A 75 -3.711 11.148 10.281 1.00 65.24 C ATOM 1280 C GLY A 75 -2.434 10.332 10.451 1.00 73.52 C ATOM 1281 O GLY A 75 -1.656 10.574 11.378 1.00 14.40 O ATOM 0 H GLY A 75 -5.428 10.214 9.528 1.00 75.12 H new ATOM 0 HA2 GLY A 75 -3.700 11.626 9.302 1.00 65.24 H new ATOM 0 HA3 GLY A 75 -3.726 11.945 11.025 1.00 65.24 H new ATOM 1285 N TYR A 76 -2.232 9.340 9.563 1.00 23.53 N ATOM 1286 CA TYR A 76 -1.005 8.497 9.544 1.00 5.24 C ATOM 1287 C TYR A 76 -0.293 8.608 8.182 1.00 55.25 C ATOM 1288 O TYR A 76 -0.941 8.808 7.148 1.00 22.14 O ATOM 1289 CB TYR A 76 -1.338 7.011 9.875 1.00 62.45 C ATOM 1290 CG TYR A 76 -1.978 6.784 11.262 1.00 34.25 C ATOM 1291 CD1 TYR A 76 -1.545 7.497 12.392 1.00 64.14 C ATOM 1292 CD2 TYR A 76 -3.005 5.852 11.445 1.00 71.10 C ATOM 1293 CE1 TYR A 76 -2.116 7.293 13.634 1.00 12.33 C ATOM 1294 CE2 TYR A 76 -3.576 5.645 12.690 1.00 21.01 C ATOM 1295 CZ TYR A 76 -3.131 6.369 13.778 1.00 71.43 C ATOM 1296 OH TYR A 76 -3.704 6.168 15.015 1.00 3.11 O ATOM 0 H TYR A 76 -2.907 9.095 8.839 1.00 23.53 H new ATOM 0 HA TYR A 76 -0.330 8.867 10.316 1.00 5.24 H new ATOM 0 HB2 TYR A 76 -2.014 6.626 9.111 1.00 62.45 H new ATOM 0 HB3 TYR A 76 -0.421 6.425 9.814 1.00 62.45 H new ATOM 0 HD1 TYR A 76 -0.749 8.220 12.288 1.00 64.14 H new ATOM 0 HD2 TYR A 76 -3.360 5.282 10.599 1.00 71.10 H new ATOM 0 HE1 TYR A 76 -1.769 7.855 14.489 1.00 12.33 H new ATOM 0 HE2 TYR A 76 -4.367 4.919 12.809 1.00 21.01 H new ATOM 0 HH TYR A 76 -4.404 5.486 14.944 1.00 3.11 H new ATOM 1306 N LYS A 77 1.049 8.468 8.200 1.00 15.50 N ATOM 1307 CA LYS A 77 1.892 8.598 6.998 1.00 11.53 C ATOM 1308 C LYS A 77 1.829 7.306 6.158 1.00 11.42 C ATOM 1309 O LYS A 77 2.266 6.246 6.610 1.00 43.13 O ATOM 1310 CB LYS A 77 3.359 8.937 7.393 1.00 25.43 C ATOM 1311 CG LYS A 77 4.344 9.039 6.201 1.00 54.40 C ATOM 1312 CD LYS A 77 3.929 10.108 5.158 1.00 11.33 C ATOM 1313 CE LYS A 77 4.850 10.124 3.933 1.00 61.55 C ATOM 1314 NZ LYS A 77 4.414 11.122 2.923 1.00 12.24 N ATOM 0 H LYS A 77 1.576 8.262 9.049 1.00 15.50 H new ATOM 0 HA LYS A 77 1.510 9.418 6.390 1.00 11.53 H new ATOM 0 HB2 LYS A 77 3.366 9.883 7.934 1.00 25.43 H new ATOM 0 HB3 LYS A 77 3.721 8.173 8.082 1.00 25.43 H new ATOM 0 HG2 LYS A 77 5.339 9.276 6.579 1.00 54.40 H new ATOM 0 HG3 LYS A 77 4.412 8.068 5.710 1.00 54.40 H new ATOM 0 HD2 LYS A 77 2.905 9.918 4.836 1.00 11.33 H new ATOM 0 HD3 LYS A 77 3.938 11.092 5.628 1.00 11.33 H new ATOM 0 HE2 LYS A 77 5.869 10.348 4.248 1.00 61.55 H new ATOM 0 HE3 LYS A 77 4.868 9.133 3.480 1.00 61.55 H new ATOM 0 HZ1 LYS A 77 5.063 11.101 2.111 1.00 12.24 H new ATOM 0 HZ2 LYS A 77 3.451 10.894 2.603 1.00 12.24 H new ATOM 0 HZ3 LYS A 77 4.422 12.071 3.347 1.00 12.24 H new ATOM 1328 N VAL A 78 1.272 7.422 4.935 1.00 70.13 N ATOM 1329 CA VAL A 78 1.082 6.291 4.014 1.00 72.00 C ATOM 1330 C VAL A 78 2.068 6.365 2.846 1.00 71.13 C ATOM 1331 O VAL A 78 2.283 7.433 2.264 1.00 25.14 O ATOM 1332 CB VAL A 78 -0.385 6.227 3.452 1.00 4.34 C ATOM 1333 CG1 VAL A 78 -0.620 4.976 2.558 1.00 25.45 C ATOM 1334 CG2 VAL A 78 -1.392 6.274 4.607 1.00 15.25 C ATOM 0 H VAL A 78 0.940 8.311 4.560 1.00 70.13 H new ATOM 0 HA VAL A 78 1.268 5.385 4.591 1.00 72.00 H new ATOM 0 HB VAL A 78 -0.534 7.099 2.815 1.00 4.34 H new ATOM 0 HG11 VAL A 78 -1.647 4.977 2.194 1.00 25.45 H new ATOM 0 HG12 VAL A 78 0.065 5.000 1.711 1.00 25.45 H new ATOM 0 HG13 VAL A 78 -0.443 4.073 3.142 1.00 25.45 H new ATOM 0 HG21 VAL A 78 -2.405 6.229 4.208 1.00 15.25 H new ATOM 0 HG22 VAL A 78 -1.225 5.425 5.270 1.00 15.25 H new ATOM 0 HG23 VAL A 78 -1.262 7.201 5.165 1.00 15.25 H new ATOM 1344 N PHE A 79 2.666 5.214 2.524 1.00 32.31 N ATOM 1345 CA PHE A 79 3.447 5.018 1.303 1.00 12.25 C ATOM 1346 C PHE A 79 2.695 3.980 0.443 1.00 12.44 C ATOM 1347 O PHE A 79 2.522 2.831 0.855 1.00 71.30 O ATOM 1348 CB PHE A 79 4.869 4.533 1.653 1.00 11.14 C ATOM 1349 CG PHE A 79 5.728 5.528 2.452 1.00 75.43 C ATOM 1350 CD1 PHE A 79 5.643 5.601 3.844 1.00 65.21 C ATOM 1351 CD2 PHE A 79 6.635 6.375 1.808 1.00 71.20 C ATOM 1352 CE1 PHE A 79 6.428 6.485 4.559 1.00 43.34 C ATOM 1353 CE2 PHE A 79 7.421 7.257 2.527 1.00 22.25 C ATOM 1354 CZ PHE A 79 7.318 7.311 3.902 1.00 63.24 C ATOM 0 H PHE A 79 2.619 4.383 3.113 1.00 32.31 H new ATOM 0 HA PHE A 79 3.556 5.951 0.751 1.00 12.25 H new ATOM 0 HB2 PHE A 79 4.789 3.608 2.224 1.00 11.14 H new ATOM 0 HB3 PHE A 79 5.390 4.291 0.727 1.00 11.14 H new ATOM 0 HD1 PHE A 79 4.953 4.957 4.369 1.00 65.21 H new ATOM 0 HD2 PHE A 79 6.723 6.340 0.732 1.00 71.20 H new ATOM 0 HE1 PHE A 79 6.345 6.530 5.635 1.00 43.34 H new ATOM 0 HE2 PHE A 79 8.116 7.904 2.012 1.00 22.25 H new ATOM 0 HZ PHE A 79 7.933 7.999 4.464 1.00 63.24 H new ATOM 1364 N LEU A 80 2.237 4.410 -0.735 1.00 43.24 N ATOM 1365 CA LEU A 80 1.361 3.622 -1.625 1.00 1.24 C ATOM 1366 C LEU A 80 2.103 3.190 -2.900 1.00 54.14 C ATOM 1367 O LEU A 80 2.714 4.020 -3.585 1.00 0.10 O ATOM 1368 CB LEU A 80 0.096 4.453 -1.991 1.00 2.13 C ATOM 1369 CG LEU A 80 -0.866 3.840 -3.078 1.00 60.24 C ATOM 1370 CD1 LEU A 80 -1.378 2.439 -2.695 1.00 33.34 C ATOM 1371 CD2 LEU A 80 -2.036 4.790 -3.373 1.00 12.31 C ATOM 0 H LEU A 80 2.465 5.331 -1.110 1.00 43.24 H new ATOM 0 HA LEU A 80 1.058 2.719 -1.095 1.00 1.24 H new ATOM 0 HB2 LEU A 80 -0.480 4.614 -1.080 1.00 2.13 H new ATOM 0 HB3 LEU A 80 0.422 5.433 -2.340 1.00 2.13 H new ATOM 0 HG LEU A 80 -0.277 3.721 -3.987 1.00 60.24 H new ATOM 0 HD11 LEU A 80 -2.036 2.065 -3.479 1.00 33.34 H new ATOM 0 HD12 LEU A 80 -0.532 1.762 -2.578 1.00 33.34 H new ATOM 0 HD13 LEU A 80 -1.929 2.497 -1.756 1.00 33.34 H new ATOM 0 HD21 LEU A 80 -2.686 4.344 -4.126 1.00 12.31 H new ATOM 0 HD22 LEU A 80 -2.605 4.962 -2.459 1.00 12.31 H new ATOM 0 HD23 LEU A 80 -1.649 5.739 -3.743 1.00 12.31 H new ATOM 1383 N LEU A 81 2.031 1.881 -3.207 1.00 43.45 N ATOM 1384 CA LEU A 81 2.533 1.308 -4.464 1.00 63.42 C ATOM 1385 C LEU A 81 1.355 0.775 -5.299 1.00 23.54 C ATOM 1386 O LEU A 81 0.575 -0.056 -4.821 1.00 62.41 O ATOM 1387 CB LEU A 81 3.545 0.158 -4.194 1.00 20.43 C ATOM 1388 CG LEU A 81 4.234 -0.443 -5.464 1.00 42.22 C ATOM 1389 CD1 LEU A 81 4.956 0.654 -6.277 1.00 12.15 C ATOM 1390 CD2 LEU A 81 5.191 -1.593 -5.096 1.00 11.14 C ATOM 0 H LEU A 81 1.619 1.188 -2.582 1.00 43.45 H new ATOM 0 HA LEU A 81 3.049 2.095 -5.014 1.00 63.42 H new ATOM 0 HB2 LEU A 81 4.320 0.529 -3.523 1.00 20.43 H new ATOM 0 HB3 LEU A 81 3.026 -0.644 -3.669 1.00 20.43 H new ATOM 0 HG LEU A 81 3.452 -0.863 -6.096 1.00 42.22 H new ATOM 0 HD11 LEU A 81 5.426 0.208 -7.154 1.00 12.15 H new ATOM 0 HD12 LEU A 81 4.234 1.406 -6.595 1.00 12.15 H new ATOM 0 HD13 LEU A 81 5.719 1.124 -5.656 1.00 12.15 H new ATOM 0 HD21 LEU A 81 5.652 -1.987 -6.002 1.00 11.14 H new ATOM 0 HD22 LEU A 81 5.967 -1.221 -4.427 1.00 11.14 H new ATOM 0 HD23 LEU A 81 4.633 -2.386 -4.599 1.00 11.14 H new ATOM 1402 N LEU A 82 1.225 1.285 -6.532 1.00 42.21 N ATOM 1403 CA LEU A 82 0.258 0.794 -7.528 1.00 45.05 C ATOM 1404 C LEU A 82 1.023 0.075 -8.658 1.00 62.43 C ATOM 1405 O LEU A 82 1.852 0.692 -9.337 1.00 70.21 O ATOM 1406 CB LEU A 82 -0.567 1.984 -8.102 1.00 54.13 C ATOM 1407 CG LEU A 82 -1.452 2.781 -7.093 1.00 34.44 C ATOM 1408 CD1 LEU A 82 -2.171 3.963 -7.782 1.00 33.42 C ATOM 1409 CD2 LEU A 82 -2.460 1.852 -6.385 1.00 63.21 C ATOM 0 H LEU A 82 1.795 2.060 -6.871 1.00 42.21 H new ATOM 0 HA LEU A 82 -0.433 0.094 -7.057 1.00 45.05 H new ATOM 0 HB2 LEU A 82 0.126 2.683 -8.571 1.00 54.13 H new ATOM 0 HB3 LEU A 82 -1.214 1.599 -8.890 1.00 54.13 H new ATOM 0 HG LEU A 82 -0.791 3.198 -6.334 1.00 34.44 H new ATOM 0 HD11 LEU A 82 -2.778 4.496 -7.050 1.00 33.42 H new ATOM 0 HD12 LEU A 82 -1.431 4.643 -8.204 1.00 33.42 H new ATOM 0 HD13 LEU A 82 -2.812 3.585 -8.579 1.00 33.42 H new ATOM 0 HD21 LEU A 82 -3.063 2.434 -5.688 1.00 63.21 H new ATOM 0 HD22 LEU A 82 -3.109 1.387 -7.127 1.00 63.21 H new ATOM 0 HD23 LEU A 82 -1.920 1.078 -5.839 1.00 63.21 H new ATOM 1421 N GLN A 83 0.764 -1.234 -8.839 1.00 70.15 N ATOM 1422 CA GLN A 83 1.341 -2.022 -9.942 1.00 34.10 C ATOM 1423 C GLN A 83 0.245 -2.362 -10.951 1.00 33.13 C ATOM 1424 O GLN A 83 -0.672 -3.135 -10.645 1.00 71.22 O ATOM 1425 CB GLN A 83 2.015 -3.322 -9.438 1.00 64.40 C ATOM 1426 CG GLN A 83 2.795 -4.087 -10.542 1.00 1.22 C ATOM 1427 CD GLN A 83 3.542 -5.315 -10.032 1.00 60.14 C ATOM 1428 OE1 GLN A 83 3.923 -5.380 -8.868 1.00 21.24 O ATOM 1429 NE2 GLN A 83 3.792 -6.278 -10.908 1.00 44.41 N ATOM 0 H GLN A 83 0.151 -1.772 -8.227 1.00 70.15 H new ATOM 0 HA GLN A 83 2.114 -1.417 -10.417 1.00 34.10 H new ATOM 0 HB2 GLN A 83 2.699 -3.075 -8.626 1.00 64.40 H new ATOM 0 HB3 GLN A 83 1.251 -3.980 -9.022 1.00 64.40 H new ATOM 0 HG2 GLN A 83 2.096 -4.396 -11.319 1.00 1.22 H new ATOM 0 HG3 GLN A 83 3.509 -3.407 -11.007 1.00 1.22 H new ATOM 0 HE21 GLN A 83 3.460 -6.192 -11.869 1.00 44.41 H new ATOM 0 HE22 GLN A 83 4.316 -7.105 -10.621 1.00 44.41 H new ATOM 1438 N ASP A 84 0.353 -1.776 -12.151 1.00 41.44 N ATOM 1439 CA ASP A 84 -0.593 -2.006 -13.247 1.00 71.01 C ATOM 1440 C ASP A 84 0.163 -1.955 -14.578 1.00 31.33 C ATOM 1441 O ASP A 84 1.045 -1.113 -14.766 1.00 72.41 O ATOM 1442 CB ASP A 84 -1.731 -0.953 -13.209 1.00 5.13 C ATOM 1443 CG ASP A 84 -2.852 -1.233 -14.225 1.00 42.13 C ATOM 1444 OD1 ASP A 84 -3.666 -2.137 -13.980 1.00 43.44 O ATOM 1445 OD2 ASP A 84 -2.918 -0.569 -15.270 1.00 15.40 O ATOM 0 H ASP A 84 1.103 -1.127 -12.388 1.00 41.44 H new ATOM 0 HA ASP A 84 -1.051 -2.989 -13.137 1.00 71.01 H new ATOM 0 HB2 ASP A 84 -2.157 -0.925 -12.206 1.00 5.13 H new ATOM 0 HB3 ASP A 84 -1.311 0.034 -13.405 1.00 5.13 H new ATOM 1450 N GLN A 85 -0.198 -2.864 -15.488 1.00 21.32 N ATOM 1451 CA GLN A 85 0.484 -3.042 -16.787 1.00 24.24 C ATOM 1452 C GLN A 85 0.086 -1.956 -17.809 1.00 31.11 C ATOM 1453 O GLN A 85 0.808 -1.733 -18.788 1.00 33.22 O ATOM 1454 CB GLN A 85 0.196 -4.460 -17.370 1.00 45.21 C ATOM 1455 CG GLN A 85 -1.276 -4.742 -17.773 1.00 14.02 C ATOM 1456 CD GLN A 85 -2.245 -4.884 -16.590 1.00 62.11 C ATOM 1457 OE1 GLN A 85 -1.878 -5.378 -15.523 1.00 43.20 O ATOM 1458 NE2 GLN A 85 -3.470 -4.427 -16.758 1.00 74.21 N ATOM 0 H GLN A 85 -0.978 -3.506 -15.349 1.00 21.32 H new ATOM 0 HA GLN A 85 1.553 -2.942 -16.601 1.00 24.24 H new ATOM 0 HB2 GLN A 85 0.827 -4.606 -18.247 1.00 45.21 H new ATOM 0 HB3 GLN A 85 0.499 -5.203 -16.632 1.00 45.21 H new ATOM 0 HG2 GLN A 85 -1.624 -3.934 -18.416 1.00 14.02 H new ATOM 0 HG3 GLN A 85 -1.308 -5.657 -18.365 1.00 14.02 H new ATOM 0 HE21 GLN A 85 -3.745 -4.023 -17.653 1.00 74.21 H new ATOM 0 HE22 GLN A 85 -4.143 -4.477 -15.993 1.00 74.21 H new ATOM 1467 N ASP A 86 -1.065 -1.297 -17.587 1.00 62.31 N ATOM 1468 CA ASP A 86 -1.583 -0.241 -18.483 1.00 35.41 C ATOM 1469 C ASP A 86 -1.415 1.123 -17.800 1.00 3.33 C ATOM 1470 O ASP A 86 -2.300 1.590 -17.069 1.00 23.52 O ATOM 1471 CB ASP A 86 -3.068 -0.508 -18.876 1.00 24.03 C ATOM 1472 CG ASP A 86 -3.234 -1.731 -19.802 1.00 25.41 C ATOM 1473 OD1 ASP A 86 -2.908 -1.622 -21.002 1.00 12.43 O ATOM 1474 OD2 ASP A 86 -3.698 -2.796 -19.350 1.00 54.40 O ATOM 0 H ASP A 86 -1.664 -1.480 -16.782 1.00 62.31 H new ATOM 0 HA ASP A 86 -1.011 -0.245 -19.411 1.00 35.41 H new ATOM 0 HB2 ASP A 86 -3.656 -0.661 -17.971 1.00 24.03 H new ATOM 0 HB3 ASP A 86 -3.471 0.375 -19.372 1.00 24.03 H new ATOM 1479 N GLU A 87 -0.261 1.763 -18.063 1.00 20.32 N ATOM 1480 CA GLU A 87 0.134 3.046 -17.449 1.00 33.34 C ATOM 1481 C GLU A 87 -0.830 4.208 -17.791 1.00 44.43 C ATOM 1482 O GLU A 87 -0.718 5.278 -17.200 1.00 21.45 O ATOM 1483 CB GLU A 87 1.574 3.408 -17.871 1.00 30.42 C ATOM 1484 CG GLU A 87 2.640 2.386 -17.426 1.00 62.44 C ATOM 1485 CD GLU A 87 4.038 2.711 -17.975 1.00 15.23 C ATOM 1486 OE1 GLU A 87 4.283 2.455 -19.171 1.00 33.34 O ATOM 1487 OE2 GLU A 87 4.882 3.245 -17.237 1.00 11.31 O ATOM 0 H GLU A 87 0.433 1.400 -18.716 1.00 20.32 H new ATOM 0 HA GLU A 87 0.083 2.908 -16.369 1.00 33.34 H new ATOM 0 HB2 GLU A 87 1.609 3.503 -18.956 1.00 30.42 H new ATOM 0 HB3 GLU A 87 1.827 4.384 -17.457 1.00 30.42 H new ATOM 0 HG2 GLU A 87 2.679 2.359 -16.337 1.00 62.44 H new ATOM 0 HG3 GLU A 87 2.345 1.391 -17.760 1.00 62.44 H new ATOM 1494 N ASN A 88 -1.744 3.985 -18.757 1.00 61.44 N ATOM 1495 CA ASN A 88 -2.773 4.971 -19.153 1.00 22.20 C ATOM 1496 C ASN A 88 -3.702 5.296 -17.961 1.00 33.35 C ATOM 1497 O ASN A 88 -3.739 6.441 -17.488 1.00 64.42 O ATOM 1498 CB ASN A 88 -3.607 4.423 -20.351 1.00 32.30 C ATOM 1499 CG ASN A 88 -2.803 4.231 -21.646 1.00 65.45 C ATOM 1500 OD1 ASN A 88 -1.591 4.008 -21.630 1.00 64.15 O ATOM 1501 ND2 ASN A 88 -3.488 4.287 -22.778 1.00 50.22 N ATOM 0 H ASN A 88 -1.790 3.114 -19.286 1.00 61.44 H new ATOM 0 HA ASN A 88 -2.273 5.889 -19.460 1.00 22.20 H new ATOM 0 HB2 ASN A 88 -4.047 3.468 -20.065 1.00 32.30 H new ATOM 0 HB3 ASN A 88 -4.432 5.108 -20.548 1.00 32.30 H new ATOM 0 HD21 ASN A 88 -3.013 4.144 -23.669 1.00 50.22 H new ATOM 0 HD22 ASN A 88 -4.491 4.473 -22.759 1.00 50.22 H new ATOM 1508 N GLU A 89 -4.394 4.262 -17.446 1.00 12.31 N ATOM 1509 CA GLU A 89 -5.338 4.411 -16.315 1.00 32.52 C ATOM 1510 C GLU A 89 -4.576 4.480 -14.980 1.00 3.45 C ATOM 1511 O GLU A 89 -5.043 5.104 -14.026 1.00 12.24 O ATOM 1512 CB GLU A 89 -6.361 3.250 -16.293 1.00 15.41 C ATOM 1513 CG GLU A 89 -5.737 1.848 -16.129 1.00 32.44 C ATOM 1514 CD GLU A 89 -6.786 0.738 -16.011 1.00 1.34 C ATOM 1515 OE1 GLU A 89 -7.335 0.542 -14.912 1.00 1.04 O ATOM 1516 OE2 GLU A 89 -7.081 0.064 -17.019 1.00 52.02 O ATOM 0 H GLU A 89 -4.318 3.307 -17.796 1.00 12.31 H new ATOM 0 HA GLU A 89 -5.884 5.344 -16.452 1.00 32.52 H new ATOM 0 HB2 GLU A 89 -7.064 3.418 -15.477 1.00 15.41 H new ATOM 0 HB3 GLU A 89 -6.936 3.272 -17.219 1.00 15.41 H new ATOM 0 HG2 GLU A 89 -5.091 1.641 -16.982 1.00 32.44 H new ATOM 0 HG3 GLU A 89 -5.105 1.839 -15.241 1.00 32.44 H new ATOM 1523 N LEU A 90 -3.407 3.810 -14.938 1.00 3.23 N ATOM 1524 CA LEU A 90 -2.486 3.836 -13.791 1.00 20.13 C ATOM 1525 C LEU A 90 -1.983 5.273 -13.524 1.00 13.31 C ATOM 1526 O LEU A 90 -1.818 5.652 -12.371 1.00 44.53 O ATOM 1527 CB LEU A 90 -1.310 2.855 -14.056 1.00 25.32 C ATOM 1528 CG LEU A 90 -0.072 2.916 -13.096 1.00 73.03 C ATOM 1529 CD1 LEU A 90 -0.464 2.696 -11.621 1.00 64.50 C ATOM 1530 CD2 LEU A 90 1.021 1.918 -13.548 1.00 73.14 C ATOM 0 H LEU A 90 -3.075 3.230 -15.709 1.00 3.23 H new ATOM 0 HA LEU A 90 -3.013 3.512 -12.893 1.00 20.13 H new ATOM 0 HB2 LEU A 90 -1.708 1.841 -14.025 1.00 25.32 H new ATOM 0 HB3 LEU A 90 -0.954 3.027 -15.072 1.00 25.32 H new ATOM 0 HG LEU A 90 0.339 3.923 -13.160 1.00 73.03 H new ATOM 0 HD11 LEU A 90 0.428 2.747 -10.996 1.00 64.50 H new ATOM 0 HD12 LEU A 90 -1.168 3.469 -11.313 1.00 64.50 H new ATOM 0 HD13 LEU A 90 -0.929 1.716 -11.510 1.00 64.50 H new ATOM 0 HD21 LEU A 90 1.871 1.977 -12.868 1.00 73.14 H new ATOM 0 HD22 LEU A 90 0.617 0.906 -13.537 1.00 73.14 H new ATOM 0 HD23 LEU A 90 1.346 2.168 -14.558 1.00 73.14 H new ATOM 1542 N GLU A 91 -1.765 6.063 -14.600 1.00 32.34 N ATOM 1543 CA GLU A 91 -1.369 7.485 -14.490 1.00 61.54 C ATOM 1544 C GLU A 91 -2.468 8.291 -13.787 1.00 41.45 C ATOM 1545 O GLU A 91 -2.194 9.055 -12.857 1.00 71.22 O ATOM 1546 CB GLU A 91 -1.103 8.097 -15.893 1.00 3.14 C ATOM 1547 CG GLU A 91 -0.771 9.606 -15.887 1.00 42.03 C ATOM 1548 CD GLU A 91 -0.551 10.181 -17.294 1.00 45.41 C ATOM 1549 OE1 GLU A 91 0.512 9.917 -17.885 1.00 0.42 O ATOM 1550 OE2 GLU A 91 -1.441 10.884 -17.813 1.00 21.51 O ATOM 0 H GLU A 91 -1.858 5.736 -15.562 1.00 32.34 H new ATOM 0 HA GLU A 91 -0.451 7.531 -13.904 1.00 61.54 H new ATOM 0 HB2 GLU A 91 -0.277 7.559 -16.358 1.00 3.14 H new ATOM 0 HB3 GLU A 91 -1.981 7.935 -16.518 1.00 3.14 H new ATOM 0 HG2 GLU A 91 -1.583 10.148 -15.402 1.00 42.03 H new ATOM 0 HG3 GLU A 91 0.125 9.772 -15.289 1.00 42.03 H new ATOM 1557 N GLU A 92 -3.711 8.088 -14.255 1.00 71.04 N ATOM 1558 CA GLU A 92 -4.896 8.811 -13.771 1.00 55.31 C ATOM 1559 C GLU A 92 -5.143 8.528 -12.281 1.00 10.30 C ATOM 1560 O GLU A 92 -5.259 9.456 -11.480 1.00 25.41 O ATOM 1561 CB GLU A 92 -6.130 8.411 -14.618 1.00 51.41 C ATOM 1562 CG GLU A 92 -5.965 8.679 -16.127 1.00 42.34 C ATOM 1563 CD GLU A 92 -7.210 8.300 -16.937 1.00 40.22 C ATOM 1564 OE1 GLU A 92 -7.317 7.132 -17.372 1.00 64.01 O ATOM 1565 OE2 GLU A 92 -8.102 9.156 -17.117 1.00 33.52 O ATOM 0 H GLU A 92 -3.922 7.410 -14.987 1.00 71.04 H new ATOM 0 HA GLU A 92 -4.723 9.882 -13.878 1.00 55.31 H new ATOM 0 HB2 GLU A 92 -6.334 7.351 -14.467 1.00 51.41 H new ATOM 0 HB3 GLU A 92 -7.000 8.958 -14.255 1.00 51.41 H new ATOM 0 HG2 GLU A 92 -5.744 9.735 -16.282 1.00 42.34 H new ATOM 0 HG3 GLU A 92 -5.109 8.116 -16.500 1.00 42.34 H new ATOM 1572 N PHE A 93 -5.155 7.231 -11.930 1.00 54.42 N ATOM 1573 CA PHE A 93 -5.453 6.754 -10.569 1.00 64.32 C ATOM 1574 C PHE A 93 -4.288 7.073 -9.596 1.00 24.43 C ATOM 1575 O PHE A 93 -4.501 7.208 -8.389 1.00 21.11 O ATOM 1576 CB PHE A 93 -5.766 5.232 -10.611 1.00 54.42 C ATOM 1577 CG PHE A 93 -6.349 4.663 -9.318 1.00 41.12 C ATOM 1578 CD1 PHE A 93 -7.507 5.213 -8.761 1.00 51.41 C ATOM 1579 CD2 PHE A 93 -5.763 3.572 -8.672 1.00 31.42 C ATOM 1580 CE1 PHE A 93 -8.053 4.696 -7.602 1.00 51.22 C ATOM 1581 CE2 PHE A 93 -6.309 3.060 -7.511 1.00 43.25 C ATOM 1582 CZ PHE A 93 -7.456 3.619 -6.980 1.00 70.33 C ATOM 0 H PHE A 93 -4.956 6.478 -12.589 1.00 54.42 H new ATOM 0 HA PHE A 93 -6.331 7.279 -10.191 1.00 64.32 H new ATOM 0 HB2 PHE A 93 -6.467 5.042 -11.424 1.00 54.42 H new ATOM 0 HB3 PHE A 93 -4.849 4.693 -10.848 1.00 54.42 H new ATOM 0 HD1 PHE A 93 -7.982 6.054 -9.244 1.00 51.41 H new ATOM 0 HD2 PHE A 93 -4.872 3.123 -9.085 1.00 31.42 H new ATOM 0 HE1 PHE A 93 -8.947 5.135 -7.183 1.00 51.22 H new ATOM 0 HE2 PHE A 93 -5.839 2.222 -7.018 1.00 43.25 H new ATOM 0 HZ PHE A 93 -7.886 3.212 -6.077 1.00 70.33 H new ATOM 1592 N LYS A 94 -3.060 7.187 -10.142 1.00 0.42 N ATOM 1593 CA LYS A 94 -1.881 7.655 -9.387 1.00 42.15 C ATOM 1594 C LYS A 94 -2.081 9.128 -8.988 1.00 43.21 C ATOM 1595 O LYS A 94 -2.023 9.458 -7.804 1.00 32.25 O ATOM 1596 CB LYS A 94 -0.581 7.434 -10.237 1.00 12.24 C ATOM 1597 CG LYS A 94 0.787 7.807 -9.585 1.00 40.44 C ATOM 1598 CD LYS A 94 1.154 9.311 -9.673 1.00 12.30 C ATOM 1599 CE LYS A 94 1.291 9.807 -11.121 1.00 30.41 C ATOM 1600 NZ LYS A 94 2.438 9.182 -11.832 1.00 20.01 N ATOM 0 H LYS A 94 -2.859 6.958 -11.115 1.00 0.42 H new ATOM 0 HA LYS A 94 -1.765 7.078 -8.469 1.00 42.15 H new ATOM 0 HB2 LYS A 94 -0.541 6.382 -10.521 1.00 12.24 H new ATOM 0 HB3 LYS A 94 -0.681 8.009 -11.158 1.00 12.24 H new ATOM 0 HG2 LYS A 94 0.767 7.512 -8.536 1.00 40.44 H new ATOM 0 HG3 LYS A 94 1.574 7.225 -10.065 1.00 40.44 H new ATOM 0 HD2 LYS A 94 0.389 9.897 -9.164 1.00 12.30 H new ATOM 0 HD3 LYS A 94 2.092 9.483 -9.145 1.00 12.30 H new ATOM 0 HE2 LYS A 94 0.371 9.592 -11.664 1.00 30.41 H new ATOM 0 HE3 LYS A 94 1.415 10.890 -11.120 1.00 30.41 H new ATOM 0 HZ1 LYS A 94 2.507 9.575 -12.792 1.00 20.01 H new ATOM 0 HZ2 LYS A 94 3.317 9.380 -11.313 1.00 20.01 H new ATOM 0 HZ3 LYS A 94 2.293 8.154 -11.888 1.00 20.01 H new ATOM 1614 N ARG A 95 -2.338 9.990 -10.001 1.00 3.14 N ATOM 1615 CA ARG A 95 -2.529 11.451 -9.812 1.00 34.25 C ATOM 1616 C ARG A 95 -3.768 11.751 -8.941 1.00 3.35 C ATOM 1617 O ARG A 95 -3.824 12.782 -8.272 1.00 21.13 O ATOM 1618 CB ARG A 95 -2.662 12.169 -11.183 1.00 34.22 C ATOM 1619 CG ARG A 95 -1.406 12.100 -12.077 1.00 22.54 C ATOM 1620 CD ARG A 95 -1.561 12.880 -13.395 1.00 1.23 C ATOM 1621 NE ARG A 95 -2.719 12.431 -14.193 1.00 65.32 N ATOM 1622 CZ ARG A 95 -3.049 12.911 -15.405 1.00 20.22 C ATOM 1623 NH1 ARG A 95 -2.312 13.859 -15.992 1.00 73.11 N ATOM 1624 NH2 ARG A 95 -4.134 12.458 -16.012 1.00 31.02 N ATOM 0 H ARG A 95 -2.419 9.693 -10.973 1.00 3.14 H new ATOM 0 HA ARG A 95 -1.648 11.830 -9.295 1.00 34.25 H new ATOM 0 HB2 ARG A 95 -3.501 11.733 -11.725 1.00 34.22 H new ATOM 0 HB3 ARG A 95 -2.907 13.216 -11.006 1.00 34.22 H new ATOM 0 HG2 ARG A 95 -0.553 12.495 -11.526 1.00 22.54 H new ATOM 0 HG3 ARG A 95 -1.184 11.057 -12.303 1.00 22.54 H new ATOM 0 HD2 ARG A 95 -1.668 13.942 -13.173 1.00 1.23 H new ATOM 0 HD3 ARG A 95 -0.653 12.768 -13.987 1.00 1.23 H new ATOM 0 HE ARG A 95 -3.313 11.703 -13.796 1.00 65.32 H new ATOM 0 HH11 ARG A 95 -1.486 14.228 -15.520 1.00 73.11 H new ATOM 0 HH12 ARG A 95 -2.575 14.213 -16.912 1.00 73.11 H new ATOM 0 HH21 ARG A 95 -4.713 11.750 -15.560 1.00 31.02 H new ATOM 0 HH22 ARG A 95 -4.391 12.817 -16.931 1.00 31.02 H new ATOM 1638 N LYS A 96 -4.747 10.827 -8.989 1.00 42.44 N ATOM 1639 CA LYS A 96 -5.961 10.853 -8.157 1.00 11.12 C ATOM 1640 C LYS A 96 -5.598 10.925 -6.667 1.00 10.21 C ATOM 1641 O LYS A 96 -5.938 11.883 -5.968 1.00 4.44 O ATOM 1642 CB LYS A 96 -6.812 9.575 -8.453 1.00 53.42 C ATOM 1643 CG LYS A 96 -8.110 9.368 -7.624 1.00 34.24 C ATOM 1644 CD LYS A 96 -9.308 10.246 -8.081 1.00 61.50 C ATOM 1645 CE LYS A 96 -9.252 11.706 -7.592 1.00 1.40 C ATOM 1646 NZ LYS A 96 -10.450 12.467 -8.008 1.00 43.42 N ATOM 0 H LYS A 96 -4.713 10.027 -9.620 1.00 42.44 H new ATOM 0 HA LYS A 96 -6.544 11.741 -8.400 1.00 11.12 H new ATOM 0 HB2 LYS A 96 -7.086 9.590 -9.508 1.00 53.42 H new ATOM 0 HB3 LYS A 96 -6.174 8.704 -8.302 1.00 53.42 H new ATOM 0 HG2 LYS A 96 -8.401 8.319 -7.682 1.00 34.24 H new ATOM 0 HG3 LYS A 96 -7.896 9.582 -6.577 1.00 34.24 H new ATOM 0 HD2 LYS A 96 -9.351 10.242 -9.170 1.00 61.50 H new ATOM 0 HD3 LYS A 96 -10.232 9.792 -7.724 1.00 61.50 H new ATOM 0 HE2 LYS A 96 -9.169 11.723 -6.505 1.00 1.40 H new ATOM 0 HE3 LYS A 96 -8.358 12.189 -7.988 1.00 1.40 H new ATOM 0 HZ1 LYS A 96 -10.378 13.445 -7.661 1.00 43.42 H new ATOM 0 HZ2 LYS A 96 -10.515 12.471 -9.046 1.00 43.42 H new ATOM 0 HZ3 LYS A 96 -11.301 12.021 -7.610 1.00 43.42 H new ATOM 1660 N ILE A 97 -4.842 9.920 -6.238 1.00 1.20 N ATOM 1661 CA ILE A 97 -4.492 9.702 -4.833 1.00 21.41 C ATOM 1662 C ILE A 97 -3.303 10.600 -4.410 1.00 14.42 C ATOM 1663 O ILE A 97 -3.135 10.927 -3.225 1.00 42.23 O ATOM 1664 CB ILE A 97 -4.162 8.189 -4.619 1.00 64.32 C ATOM 1665 CG1 ILE A 97 -5.322 7.290 -5.167 1.00 52.23 C ATOM 1666 CG2 ILE A 97 -3.881 7.894 -3.133 1.00 32.44 C ATOM 1667 CD1 ILE A 97 -4.976 5.823 -5.291 1.00 52.20 C ATOM 0 H ILE A 97 -4.447 9.220 -6.866 1.00 1.20 H new ATOM 0 HA ILE A 97 -5.339 9.976 -4.204 1.00 21.41 H new ATOM 0 HB ILE A 97 -3.258 7.951 -5.180 1.00 64.32 H new ATOM 0 HG12 ILE A 97 -6.185 7.392 -4.509 1.00 52.23 H new ATOM 0 HG13 ILE A 97 -5.622 7.663 -6.146 1.00 52.23 H new ATOM 0 HG21 ILE A 97 -3.654 6.835 -3.009 1.00 32.44 H new ATOM 0 HG22 ILE A 97 -3.031 8.489 -2.798 1.00 32.44 H new ATOM 0 HG23 ILE A 97 -4.759 8.149 -2.539 1.00 32.44 H new ATOM 0 HD11 ILE A 97 -5.837 5.278 -5.678 1.00 52.20 H new ATOM 0 HD12 ILE A 97 -4.135 5.704 -5.974 1.00 52.20 H new ATOM 0 HD13 ILE A 97 -4.707 5.429 -4.311 1.00 52.20 H new ATOM 1679 N GLU A 98 -2.508 11.016 -5.404 1.00 52.21 N ATOM 1680 CA GLU A 98 -1.382 11.940 -5.205 1.00 13.31 C ATOM 1681 C GLU A 98 -1.935 13.355 -4.927 1.00 35.33 C ATOM 1682 O GLU A 98 -1.340 14.121 -4.162 1.00 42.21 O ATOM 1683 CB GLU A 98 -0.435 11.871 -6.448 1.00 50.32 C ATOM 1684 CG GLU A 98 0.911 12.641 -6.346 1.00 40.44 C ATOM 1685 CD GLU A 98 0.832 14.102 -6.828 1.00 42.42 C ATOM 1686 OE1 GLU A 98 0.734 14.317 -8.052 1.00 71.25 O ATOM 1687 OE2 GLU A 98 0.864 15.035 -5.998 1.00 3.23 O ATOM 0 H GLU A 98 -2.627 10.721 -6.373 1.00 52.21 H new ATOM 0 HA GLU A 98 -0.783 11.659 -4.339 1.00 13.31 H new ATOM 0 HB2 GLU A 98 -0.213 10.823 -6.648 1.00 50.32 H new ATOM 0 HB3 GLU A 98 -0.980 12.252 -7.312 1.00 50.32 H new ATOM 0 HG2 GLU A 98 1.248 12.628 -5.309 1.00 40.44 H new ATOM 0 HG3 GLU A 98 1.664 12.115 -6.933 1.00 40.44 H new ATOM 1694 N SER A 99 -3.124 13.659 -5.506 1.00 34.34 N ATOM 1695 CA SER A 99 -3.874 14.898 -5.221 1.00 51.11 C ATOM 1696 C SER A 99 -4.493 14.829 -3.810 1.00 31.13 C ATOM 1697 O SER A 99 -4.646 15.856 -3.142 1.00 0.00 O ATOM 1698 CB SER A 99 -4.975 15.130 -6.291 1.00 40.14 C ATOM 1699 OG SER A 99 -5.678 16.347 -6.076 1.00 23.25 O ATOM 0 H SER A 99 -3.585 13.050 -6.182 1.00 34.34 H new ATOM 0 HA SER A 99 -3.183 15.740 -5.258 1.00 51.11 H new ATOM 0 HB2 SER A 99 -4.521 15.144 -7.282 1.00 40.14 H new ATOM 0 HB3 SER A 99 -5.678 14.297 -6.274 1.00 40.14 H new ATOM 0 HG SER A 99 -6.361 16.457 -6.770 1.00 23.25 H new ATOM 1705 N GLN A 100 -4.815 13.595 -3.355 1.00 64.42 N ATOM 1706 CA GLN A 100 -5.335 13.334 -1.990 1.00 24.14 C ATOM 1707 C GLN A 100 -4.200 13.387 -0.929 1.00 33.14 C ATOM 1708 O GLN A 100 -4.440 13.085 0.244 1.00 23.03 O ATOM 1709 CB GLN A 100 -6.053 11.953 -1.950 1.00 54.23 C ATOM 1710 CG GLN A 100 -7.202 11.791 -2.973 1.00 42.24 C ATOM 1711 CD GLN A 100 -7.814 10.379 -3.016 1.00 21.42 C ATOM 1712 OE1 GLN A 100 -8.222 9.903 -4.077 1.00 24.54 O ATOM 1713 NE2 GLN A 100 -7.938 9.723 -1.867 1.00 2.30 N ATOM 0 H GLN A 100 -4.722 12.753 -3.923 1.00 64.42 H new ATOM 0 HA GLN A 100 -6.052 14.118 -1.745 1.00 24.14 H new ATOM 0 HB2 GLN A 100 -5.315 11.170 -2.126 1.00 54.23 H new ATOM 0 HB3 GLN A 100 -6.452 11.795 -0.948 1.00 54.23 H new ATOM 0 HG2 GLN A 100 -7.988 12.508 -2.737 1.00 42.24 H new ATOM 0 HG3 GLN A 100 -6.828 12.043 -3.965 1.00 42.24 H new ATOM 0 HE21 GLN A 100 -7.592 10.139 -1.002 1.00 2.30 H new ATOM 0 HE22 GLN A 100 -8.379 8.804 -1.850 1.00 2.30 H new ATOM 1722 N GLY A 101 -2.971 13.744 -1.358 1.00 41.33 N ATOM 1723 CA GLY A 101 -1.849 13.997 -0.448 1.00 45.24 C ATOM 1724 C GLY A 101 -1.148 12.736 0.023 1.00 72.21 C ATOM 1725 O GLY A 101 -0.692 12.665 1.169 1.00 63.43 O ATOM 0 H GLY A 101 -2.736 13.863 -2.343 1.00 41.33 H new ATOM 0 HA2 GLY A 101 -1.124 14.639 -0.949 1.00 45.24 H new ATOM 0 HA3 GLY A 101 -2.214 14.545 0.421 1.00 45.24 H new ATOM 1729 N TYR A 102 -1.050 11.738 -0.867 1.00 32.05 N ATOM 1730 CA TYR A 102 -0.388 10.451 -0.560 1.00 22.12 C ATOM 1731 C TYR A 102 0.840 10.241 -1.448 1.00 42.45 C ATOM 1732 O TYR A 102 0.873 10.698 -2.599 1.00 71.34 O ATOM 1733 CB TYR A 102 -1.381 9.268 -0.694 1.00 34.13 C ATOM 1734 CG TYR A 102 -2.485 9.293 0.372 1.00 53.32 C ATOM 1735 CD1 TYR A 102 -2.189 8.999 1.702 1.00 75.43 C ATOM 1736 CD2 TYR A 102 -3.800 9.650 0.061 1.00 23.43 C ATOM 1737 CE1 TYR A 102 -3.159 9.057 2.679 1.00 73.52 C ATOM 1738 CE2 TYR A 102 -4.776 9.700 1.037 1.00 1.12 C ATOM 1739 CZ TYR A 102 -4.445 9.408 2.344 1.00 22.13 C ATOM 1740 OH TYR A 102 -5.400 9.482 3.327 1.00 51.23 O ATOM 0 H TYR A 102 -1.423 11.794 -1.815 1.00 32.05 H new ATOM 0 HA TYR A 102 -0.050 10.487 0.476 1.00 22.12 H new ATOM 0 HB2 TYR A 102 -1.837 9.293 -1.684 1.00 34.13 H new ATOM 0 HB3 TYR A 102 -0.832 8.329 -0.620 1.00 34.13 H new ATOM 0 HD1 TYR A 102 -1.181 8.721 1.972 1.00 75.43 H new ATOM 0 HD2 TYR A 102 -4.057 9.891 -0.960 1.00 23.43 H new ATOM 0 HE1 TYR A 102 -2.910 8.827 3.704 1.00 73.52 H new ATOM 0 HE2 TYR A 102 -5.791 9.966 0.779 1.00 1.12 H new ATOM 0 HH TYR A 102 -5.989 8.701 3.271 1.00 51.23 H new ATOM 1750 N GLU A 103 1.853 9.559 -0.879 1.00 34.33 N ATOM 1751 CA GLU A 103 3.080 9.181 -1.589 1.00 42.21 C ATOM 1752 C GLU A 103 2.766 7.996 -2.517 1.00 61.24 C ATOM 1753 O GLU A 103 2.801 6.848 -2.090 1.00 71.23 O ATOM 1754 CB GLU A 103 4.185 8.812 -0.548 1.00 33.22 C ATOM 1755 CG GLU A 103 5.559 8.437 -1.148 1.00 4.55 C ATOM 1756 CD GLU A 103 6.236 9.608 -1.879 1.00 52.22 C ATOM 1757 OE1 GLU A 103 6.909 10.427 -1.217 1.00 73.12 O ATOM 1758 OE2 GLU A 103 6.086 9.728 -3.109 1.00 14.33 O ATOM 0 H GLU A 103 1.838 9.255 0.094 1.00 34.33 H new ATOM 0 HA GLU A 103 3.449 10.010 -2.194 1.00 42.21 H new ATOM 0 HB2 GLU A 103 4.320 9.656 0.128 1.00 33.22 H new ATOM 0 HB3 GLU A 103 3.829 7.976 0.054 1.00 33.22 H new ATOM 0 HG2 GLU A 103 6.214 8.087 -0.350 1.00 4.55 H new ATOM 0 HG3 GLU A 103 5.431 7.607 -1.843 1.00 4.55 H new ATOM 1765 N VAL A 104 2.428 8.286 -3.781 1.00 30.55 N ATOM 1766 CA VAL A 104 1.937 7.269 -4.735 1.00 40.11 C ATOM 1767 C VAL A 104 2.974 7.056 -5.838 1.00 3.12 C ATOM 1768 O VAL A 104 3.279 7.990 -6.584 1.00 22.05 O ATOM 1769 CB VAL A 104 0.569 7.691 -5.389 1.00 20.34 C ATOM 1770 CG1 VAL A 104 -0.042 6.531 -6.211 1.00 52.13 C ATOM 1771 CG2 VAL A 104 -0.423 8.198 -4.327 1.00 55.12 C ATOM 0 H VAL A 104 2.485 9.225 -4.174 1.00 30.55 H new ATOM 0 HA VAL A 104 1.777 6.345 -4.179 1.00 40.11 H new ATOM 0 HB VAL A 104 0.772 8.513 -6.075 1.00 20.34 H new ATOM 0 HG11 VAL A 104 -0.986 6.854 -6.650 1.00 52.13 H new ATOM 0 HG12 VAL A 104 0.648 6.245 -7.005 1.00 52.13 H new ATOM 0 HG13 VAL A 104 -0.219 5.676 -5.558 1.00 52.13 H new ATOM 0 HG21 VAL A 104 -1.358 8.482 -4.809 1.00 55.12 H new ATOM 0 HG22 VAL A 104 -0.614 7.408 -3.601 1.00 55.12 H new ATOM 0 HG23 VAL A 104 0.000 9.064 -3.818 1.00 55.12 H new ATOM 1781 N ARG A 105 3.526 5.833 -5.928 1.00 55.10 N ATOM 1782 CA ARG A 105 4.476 5.452 -6.991 1.00 61.05 C ATOM 1783 C ARG A 105 3.903 4.293 -7.805 1.00 10.02 C ATOM 1784 O ARG A 105 3.198 3.433 -7.277 1.00 24.22 O ATOM 1785 CB ARG A 105 5.867 5.096 -6.390 1.00 35.32 C ATOM 1786 CG ARG A 105 6.534 6.278 -5.645 1.00 41.11 C ATOM 1787 CD ARG A 105 6.774 7.503 -6.562 1.00 4.41 C ATOM 1788 NE ARG A 105 6.868 8.751 -5.793 1.00 22.40 N ATOM 1789 CZ ARG A 105 7.059 9.971 -6.315 1.00 3.34 C ATOM 1790 NH1 ARG A 105 7.213 10.147 -7.626 1.00 43.35 N ATOM 1791 NH2 ARG A 105 7.067 11.020 -5.516 1.00 31.15 N ATOM 0 H ARG A 105 3.327 5.081 -5.268 1.00 55.10 H new ATOM 0 HA ARG A 105 4.622 6.301 -7.659 1.00 61.05 H new ATOM 0 HB2 ARG A 105 5.754 4.259 -5.701 1.00 35.32 H new ATOM 0 HB3 ARG A 105 6.526 4.762 -7.191 1.00 35.32 H new ATOM 0 HG2 ARG A 105 5.905 6.575 -4.806 1.00 41.11 H new ATOM 0 HG3 ARG A 105 7.486 5.949 -5.228 1.00 41.11 H new ATOM 0 HD2 ARG A 105 7.692 7.357 -7.131 1.00 4.41 H new ATOM 0 HD3 ARG A 105 5.961 7.581 -7.284 1.00 4.41 H new ATOM 0 HE ARG A 105 6.781 8.684 -4.779 1.00 22.40 H new ATOM 0 HH11 ARG A 105 7.187 9.344 -8.255 1.00 43.35 H new ATOM 0 HH12 ARG A 105 7.357 11.084 -8.001 1.00 43.35 H new ATOM 0 HH21 ARG A 105 6.929 10.898 -4.513 1.00 31.15 H new ATOM 0 HH22 ARG A 105 7.211 11.953 -5.901 1.00 31.15 H new ATOM 1805 N LYS A 106 4.215 4.306 -9.102 1.00 2.51 N ATOM 1806 CA LYS A 106 3.707 3.338 -10.089 1.00 51.30 C ATOM 1807 C LYS A 106 4.841 2.432 -10.580 1.00 30.21 C ATOM 1808 O LYS A 106 5.977 2.881 -10.756 1.00 0.12 O ATOM 1809 CB LYS A 106 3.058 4.094 -11.281 1.00 71.14 C ATOM 1810 CG LYS A 106 3.909 5.252 -11.859 1.00 63.32 C ATOM 1811 CD LYS A 106 3.292 5.888 -13.121 1.00 4.41 C ATOM 1812 CE LYS A 106 3.380 4.968 -14.347 1.00 21.13 C ATOM 1813 NZ LYS A 106 4.794 4.712 -14.733 1.00 3.40 N ATOM 0 H LYS A 106 4.840 5.002 -9.509 1.00 2.51 H new ATOM 0 HA LYS A 106 2.951 2.712 -9.616 1.00 51.30 H new ATOM 0 HB2 LYS A 106 2.854 3.379 -12.078 1.00 71.14 H new ATOM 0 HB3 LYS A 106 2.097 4.494 -10.959 1.00 71.14 H new ATOM 0 HG2 LYS A 106 4.032 6.020 -11.096 1.00 63.32 H new ATOM 0 HG3 LYS A 106 4.905 4.878 -12.098 1.00 63.32 H new ATOM 0 HD2 LYS A 106 2.247 6.131 -12.928 1.00 4.41 H new ATOM 0 HD3 LYS A 106 3.803 6.826 -13.338 1.00 4.41 H new ATOM 0 HE2 LYS A 106 2.883 4.022 -14.130 1.00 21.13 H new ATOM 0 HE3 LYS A 106 2.849 5.422 -15.184 1.00 21.13 H new ATOM 0 HZ1 LYS A 106 4.823 4.278 -15.678 1.00 3.40 H new ATOM 0 HZ2 LYS A 106 5.318 5.610 -14.748 1.00 3.40 H new ATOM 0 HZ3 LYS A 106 5.231 4.068 -14.043 1.00 3.40 H new ATOM 1827 N VAL A 107 4.508 1.161 -10.816 1.00 34.02 N ATOM 1828 CA VAL A 107 5.461 0.146 -11.287 1.00 13.23 C ATOM 1829 C VAL A 107 4.731 -0.861 -12.199 1.00 4.22 C ATOM 1830 O VAL A 107 3.510 -1.026 -12.109 1.00 33.13 O ATOM 1831 CB VAL A 107 6.160 -0.579 -10.072 1.00 22.14 C ATOM 1832 CG1 VAL A 107 5.159 -1.405 -9.237 1.00 14.21 C ATOM 1833 CG2 VAL A 107 7.356 -1.436 -10.534 1.00 54.34 C ATOM 0 H VAL A 107 3.562 0.802 -10.685 1.00 34.02 H new ATOM 0 HA VAL A 107 6.246 0.634 -11.864 1.00 13.23 H new ATOM 0 HB VAL A 107 6.551 0.201 -9.419 1.00 22.14 H new ATOM 0 HG11 VAL A 107 5.684 -1.886 -8.412 1.00 14.21 H new ATOM 0 HG12 VAL A 107 4.386 -0.747 -8.841 1.00 14.21 H new ATOM 0 HG13 VAL A 107 4.700 -2.166 -9.868 1.00 14.21 H new ATOM 0 HG21 VAL A 107 7.812 -1.920 -9.670 1.00 54.34 H new ATOM 0 HG22 VAL A 107 7.010 -2.196 -11.235 1.00 54.34 H new ATOM 0 HG23 VAL A 107 8.092 -0.799 -11.024 1.00 54.34 H new ATOM 1843 N THR A 108 5.482 -1.486 -13.111 1.00 3.13 N ATOM 1844 CA THR A 108 4.972 -2.529 -14.022 1.00 75.11 C ATOM 1845 C THR A 108 5.711 -3.867 -13.790 1.00 74.52 C ATOM 1846 O THR A 108 5.125 -4.944 -13.963 1.00 63.03 O ATOM 1847 CB THR A 108 5.131 -2.070 -15.517 1.00 11.21 C ATOM 1848 OG1 THR A 108 6.468 -1.578 -15.744 1.00 11.25 O ATOM 1849 CG2 THR A 108 4.117 -0.976 -15.909 1.00 60.43 C ATOM 0 H THR A 108 6.473 -1.283 -13.243 1.00 3.13 H new ATOM 0 HA THR A 108 3.913 -2.682 -13.812 1.00 75.11 H new ATOM 0 HB THR A 108 4.937 -2.944 -16.139 1.00 11.21 H new ATOM 0 HG1 THR A 108 7.112 -2.302 -15.599 1.00 11.25 H new ATOM 0 HG21 THR A 108 4.270 -0.695 -16.951 1.00 60.43 H new ATOM 0 HG22 THR A 108 3.104 -1.356 -15.781 1.00 60.43 H new ATOM 0 HG23 THR A 108 4.260 -0.103 -15.273 1.00 60.43 H new ATOM 1857 N ASP A 109 6.999 -3.788 -13.395 1.00 42.20 N ATOM 1858 CA ASP A 109 7.882 -4.973 -13.232 1.00 72.14 C ATOM 1859 C ASP A 109 7.844 -5.509 -11.801 1.00 50.01 C ATOM 1860 O ASP A 109 7.684 -4.742 -10.851 1.00 44.22 O ATOM 1861 CB ASP A 109 9.346 -4.620 -13.606 1.00 61.54 C ATOM 1862 CG ASP A 109 9.521 -4.324 -15.101 1.00 23.10 C ATOM 1863 OD1 ASP A 109 9.117 -3.234 -15.549 1.00 71.41 O ATOM 1864 OD2 ASP A 109 10.041 -5.184 -15.839 1.00 11.34 O ATOM 0 H ASP A 109 7.460 -2.904 -13.179 1.00 42.20 H new ATOM 0 HA ASP A 109 7.509 -5.746 -13.904 1.00 72.14 H new ATOM 0 HB2 ASP A 109 9.665 -3.752 -13.028 1.00 61.54 H new ATOM 0 HB3 ASP A 109 9.998 -5.447 -13.325 1.00 61.54 H new ATOM 1869 N ASP A 110 8.036 -6.831 -11.679 1.00 34.33 N ATOM 1870 CA ASP A 110 8.096 -7.542 -10.387 1.00 51.13 C ATOM 1871 C ASP A 110 9.388 -7.216 -9.620 1.00 70.45 C ATOM 1872 O ASP A 110 9.381 -7.085 -8.391 1.00 43.35 O ATOM 1873 CB ASP A 110 7.985 -9.078 -10.611 1.00 21.34 C ATOM 1874 CG ASP A 110 9.091 -9.646 -11.519 1.00 23.11 C ATOM 1875 OD1 ASP A 110 9.021 -9.438 -12.743 1.00 25.52 O ATOM 1876 OD2 ASP A 110 10.040 -10.273 -11.010 1.00 51.25 O ATOM 0 H ASP A 110 8.156 -7.447 -12.483 1.00 34.33 H new ATOM 0 HA ASP A 110 7.253 -7.203 -9.785 1.00 51.13 H new ATOM 0 HB2 ASP A 110 8.024 -9.582 -9.645 1.00 21.34 H new ATOM 0 HB3 ASP A 110 7.013 -9.304 -11.050 1.00 21.34 H new ATOM 1881 N GLU A 111 10.495 -7.094 -10.376 1.00 21.53 N ATOM 1882 CA GLU A 111 11.830 -6.838 -9.824 1.00 21.41 C ATOM 1883 C GLU A 111 11.879 -5.446 -9.192 1.00 34.51 C ATOM 1884 O GLU A 111 12.384 -5.276 -8.077 1.00 3.43 O ATOM 1885 CB GLU A 111 12.907 -6.979 -10.931 1.00 21.34 C ATOM 1886 CG GLU A 111 12.928 -8.361 -11.611 1.00 40.55 C ATOM 1887 CD GLU A 111 14.009 -8.479 -12.694 1.00 61.24 C ATOM 1888 OE1 GLU A 111 13.771 -8.046 -13.834 1.00 44.22 O ATOM 1889 OE2 GLU A 111 15.109 -8.992 -12.406 1.00 75.02 O ATOM 0 H GLU A 111 10.484 -7.171 -11.393 1.00 21.53 H new ATOM 0 HA GLU A 111 12.040 -7.576 -9.050 1.00 21.41 H new ATOM 0 HB2 GLU A 111 12.736 -6.215 -11.689 1.00 21.34 H new ATOM 0 HB3 GLU A 111 13.888 -6.784 -10.497 1.00 21.34 H new ATOM 0 HG2 GLU A 111 13.093 -9.129 -10.856 1.00 40.55 H new ATOM 0 HG3 GLU A 111 11.952 -8.556 -12.056 1.00 40.55 H new ATOM 1896 N GLU A 112 11.316 -4.462 -9.916 1.00 60.22 N ATOM 1897 CA GLU A 112 11.294 -3.064 -9.477 1.00 54.04 C ATOM 1898 C GLU A 112 10.249 -2.859 -8.371 1.00 55.31 C ATOM 1899 O GLU A 112 10.481 -2.069 -7.465 1.00 44.23 O ATOM 1900 CB GLU A 112 11.035 -2.105 -10.667 1.00 35.24 C ATOM 1901 CG GLU A 112 11.127 -0.607 -10.288 1.00 54.42 C ATOM 1902 CD GLU A 112 10.965 0.341 -11.477 1.00 32.11 C ATOM 1903 OE1 GLU A 112 11.959 0.589 -12.190 1.00 31.03 O ATOM 1904 OE2 GLU A 112 9.845 0.843 -11.707 1.00 50.42 O ATOM 0 H GLU A 112 10.866 -4.618 -10.818 1.00 60.22 H new ATOM 0 HA GLU A 112 12.276 -2.826 -9.068 1.00 54.04 H new ATOM 0 HB2 GLU A 112 11.756 -2.316 -11.456 1.00 35.24 H new ATOM 0 HB3 GLU A 112 10.045 -2.307 -11.077 1.00 35.24 H new ATOM 0 HG2 GLU A 112 10.359 -0.381 -9.548 1.00 54.42 H new ATOM 0 HG3 GLU A 112 12.091 -0.420 -9.815 1.00 54.42 H new ATOM 1911 N ALA A 113 9.115 -3.601 -8.445 1.00 70.33 N ATOM 1912 CA ALA A 113 8.021 -3.524 -7.447 1.00 72.34 C ATOM 1913 C ALA A 113 8.553 -3.732 -6.027 1.00 14.12 C ATOM 1914 O ALA A 113 8.267 -2.936 -5.134 1.00 65.04 O ATOM 1915 CB ALA A 113 6.930 -4.553 -7.763 1.00 31.11 C ATOM 0 H ALA A 113 8.935 -4.267 -9.196 1.00 70.33 H new ATOM 0 HA ALA A 113 7.587 -2.526 -7.503 1.00 72.34 H new ATOM 0 HB1 ALA A 113 6.136 -4.481 -7.020 1.00 31.11 H new ATOM 0 HB2 ALA A 113 6.519 -4.355 -8.753 1.00 31.11 H new ATOM 0 HB3 ALA A 113 7.358 -5.555 -7.741 1.00 31.11 H new ATOM 1921 N LEU A 114 9.379 -4.786 -5.865 1.00 3.13 N ATOM 1922 CA LEU A 114 10.045 -5.100 -4.590 1.00 13.03 C ATOM 1923 C LEU A 114 10.925 -3.918 -4.140 1.00 43.14 C ATOM 1924 O LEU A 114 10.878 -3.515 -2.982 1.00 4.41 O ATOM 1925 CB LEU A 114 10.911 -6.384 -4.712 1.00 63.12 C ATOM 1926 CG LEU A 114 10.179 -7.672 -5.194 1.00 41.20 C ATOM 1927 CD1 LEU A 114 11.148 -8.867 -5.246 1.00 42.13 C ATOM 1928 CD2 LEU A 114 8.944 -7.985 -4.325 1.00 73.53 C ATOM 0 H LEU A 114 9.601 -5.441 -6.615 1.00 3.13 H new ATOM 0 HA LEU A 114 9.271 -5.276 -3.843 1.00 13.03 H new ATOM 0 HB2 LEU A 114 11.730 -6.179 -5.401 1.00 63.12 H new ATOM 0 HB3 LEU A 114 11.357 -6.589 -3.739 1.00 63.12 H new ATOM 0 HG LEU A 114 9.819 -7.488 -6.206 1.00 41.20 H new ATOM 0 HD11 LEU A 114 10.614 -9.754 -5.585 1.00 42.13 H new ATOM 0 HD12 LEU A 114 11.961 -8.646 -5.938 1.00 42.13 H new ATOM 0 HD13 LEU A 114 11.557 -9.048 -4.252 1.00 42.13 H new ATOM 0 HD21 LEU A 114 8.460 -8.890 -4.693 1.00 73.53 H new ATOM 0 HD22 LEU A 114 9.255 -8.134 -3.291 1.00 73.53 H new ATOM 0 HD23 LEU A 114 8.242 -7.152 -4.376 1.00 73.53 H new ATOM 1940 N LYS A 115 11.683 -3.349 -5.101 1.00 11.30 N ATOM 1941 CA LYS A 115 12.647 -2.261 -4.839 1.00 44.50 C ATOM 1942 C LYS A 115 11.949 -0.948 -4.427 1.00 40.22 C ATOM 1943 O LYS A 115 12.504 -0.187 -3.637 1.00 25.35 O ATOM 1944 CB LYS A 115 13.549 -2.015 -6.077 1.00 2.41 C ATOM 1945 CG LYS A 115 14.399 -3.232 -6.501 1.00 3.52 C ATOM 1946 CD LYS A 115 15.333 -2.913 -7.693 1.00 22.52 C ATOM 1947 CE LYS A 115 16.109 -4.143 -8.200 1.00 13.53 C ATOM 1948 NZ LYS A 115 15.207 -5.168 -8.782 1.00 73.33 N ATOM 0 H LYS A 115 11.643 -3.631 -6.080 1.00 11.30 H new ATOM 0 HA LYS A 115 13.266 -2.584 -4.002 1.00 44.50 H new ATOM 0 HB2 LYS A 115 12.920 -1.717 -6.916 1.00 2.41 H new ATOM 0 HB3 LYS A 115 14.215 -1.179 -5.865 1.00 2.41 H new ATOM 0 HG2 LYS A 115 14.997 -3.567 -5.654 1.00 3.52 H new ATOM 0 HG3 LYS A 115 13.739 -4.056 -6.771 1.00 3.52 H new ATOM 0 HD2 LYS A 115 14.741 -2.502 -8.511 1.00 22.52 H new ATOM 0 HD3 LYS A 115 16.042 -2.141 -7.394 1.00 22.52 H new ATOM 0 HE2 LYS A 115 16.834 -3.830 -8.951 1.00 13.53 H new ATOM 0 HE3 LYS A 115 16.672 -4.581 -7.376 1.00 13.53 H new ATOM 0 HZ1 LYS A 115 15.457 -6.105 -8.405 1.00 73.33 H new ATOM 0 HZ2 LYS A 115 14.222 -4.946 -8.532 1.00 73.33 H new ATOM 0 HZ3 LYS A 115 15.309 -5.173 -9.817 1.00 73.33 H new ATOM 1962 N ILE A 116 10.736 -0.688 -4.964 1.00 51.20 N ATOM 1963 CA ILE A 116 9.970 0.531 -4.632 1.00 11.34 C ATOM 1964 C ILE A 116 9.364 0.396 -3.218 1.00 13.33 C ATOM 1965 O ILE A 116 9.251 1.385 -2.487 1.00 22.44 O ATOM 1966 CB ILE A 116 8.852 0.860 -5.696 1.00 12.12 C ATOM 1967 CG1 ILE A 116 9.448 0.925 -7.143 1.00 5.51 C ATOM 1968 CG2 ILE A 116 8.120 2.184 -5.355 1.00 22.24 C ATOM 1969 CD1 ILE A 116 10.559 1.951 -7.353 1.00 61.01 C ATOM 0 H ILE A 116 10.268 -1.306 -5.628 1.00 51.20 H new ATOM 0 HA ILE A 116 10.665 1.371 -4.652 1.00 11.34 H new ATOM 0 HB ILE A 116 8.124 0.050 -5.661 1.00 12.12 H new ATOM 0 HG12 ILE A 116 9.834 -0.061 -7.402 1.00 5.51 H new ATOM 0 HG13 ILE A 116 8.639 1.144 -7.840 1.00 5.51 H new ATOM 0 HG21 ILE A 116 7.356 2.382 -6.107 1.00 22.24 H new ATOM 0 HG22 ILE A 116 7.651 2.098 -4.375 1.00 22.24 H new ATOM 0 HG23 ILE A 116 8.838 3.004 -5.343 1.00 22.24 H new ATOM 0 HD11 ILE A 116 10.899 1.912 -8.388 1.00 61.01 H new ATOM 0 HD12 ILE A 116 10.179 2.949 -7.133 1.00 61.01 H new ATOM 0 HD13 ILE A 116 11.393 1.726 -6.688 1.00 61.01 H new ATOM 1981 N VAL A 117 9.004 -0.851 -2.834 1.00 53.21 N ATOM 1982 CA VAL A 117 8.623 -1.175 -1.444 1.00 31.41 C ATOM 1983 C VAL A 117 9.818 -0.922 -0.508 1.00 51.35 C ATOM 1984 O VAL A 117 9.647 -0.382 0.569 1.00 64.22 O ATOM 1985 CB VAL A 117 8.135 -2.666 -1.281 1.00 31.34 C ATOM 1986 CG1 VAL A 117 7.717 -2.984 0.180 1.00 14.22 C ATOM 1987 CG2 VAL A 117 6.982 -2.974 -2.249 1.00 15.22 C ATOM 0 H VAL A 117 8.970 -1.648 -3.470 1.00 53.21 H new ATOM 0 HA VAL A 117 7.787 -0.528 -1.180 1.00 31.41 H new ATOM 0 HB VAL A 117 8.980 -3.309 -1.528 1.00 31.34 H new ATOM 0 HG11 VAL A 117 7.388 -4.021 0.247 1.00 14.22 H new ATOM 0 HG12 VAL A 117 8.568 -2.830 0.844 1.00 14.22 H new ATOM 0 HG13 VAL A 117 6.901 -2.325 0.477 1.00 14.22 H new ATOM 0 HG21 VAL A 117 6.663 -4.008 -2.118 1.00 15.22 H new ATOM 0 HG22 VAL A 117 6.145 -2.307 -2.042 1.00 15.22 H new ATOM 0 HG23 VAL A 117 7.319 -2.826 -3.275 1.00 15.22 H new ATOM 1997 N ARG A 118 11.032 -1.299 -0.968 1.00 51.53 N ATOM 1998 CA ARG A 118 12.289 -1.099 -0.212 1.00 23.34 C ATOM 1999 C ARG A 118 12.631 0.394 -0.085 1.00 44.50 C ATOM 2000 O ARG A 118 13.249 0.801 0.894 1.00 0.15 O ATOM 2001 CB ARG A 118 13.456 -1.880 -0.870 1.00 41.31 C ATOM 2002 CG ARG A 118 13.242 -3.407 -0.911 1.00 51.41 C ATOM 2003 CD ARG A 118 14.358 -4.161 -1.648 1.00 11.11 C ATOM 2004 NE ARG A 118 15.638 -4.139 -0.910 1.00 73.20 N ATOM 2005 CZ ARG A 118 16.317 -5.224 -0.488 1.00 11.22 C ATOM 2006 NH1 ARG A 118 15.860 -6.460 -0.730 1.00 2.13 N ATOM 2007 NH2 ARG A 118 17.450 -5.063 0.175 1.00 14.22 N ATOM 0 H ARG A 118 11.168 -1.750 -1.873 1.00 51.53 H new ATOM 0 HA ARG A 118 12.140 -1.492 0.794 1.00 23.34 H new ATOM 0 HB2 ARG A 118 13.596 -1.515 -1.888 1.00 41.31 H new ATOM 0 HB3 ARG A 118 14.376 -1.666 -0.325 1.00 41.31 H new ATOM 0 HG2 ARG A 118 13.172 -3.784 0.109 1.00 51.41 H new ATOM 0 HG3 ARG A 118 12.289 -3.620 -1.395 1.00 51.41 H new ATOM 0 HD2 ARG A 118 14.051 -5.195 -1.806 1.00 11.11 H new ATOM 0 HD3 ARG A 118 14.503 -3.718 -2.633 1.00 11.11 H new ATOM 0 HE ARG A 118 16.042 -3.226 -0.702 1.00 73.20 H new ATOM 0 HH11 ARG A 118 14.986 -6.590 -1.240 1.00 2.13 H new ATOM 0 HH12 ARG A 118 16.386 -7.271 -0.404 1.00 2.13 H new ATOM 0 HH21 ARG A 118 17.802 -4.124 0.363 1.00 14.22 H new ATOM 0 HH22 ARG A 118 17.972 -5.878 0.499 1.00 14.22 H new ATOM 2021 N GLU A 119 12.223 1.197 -1.090 1.00 14.24 N ATOM 2022 CA GLU A 119 12.322 2.666 -1.024 1.00 21.22 C ATOM 2023 C GLU A 119 11.424 3.190 0.095 1.00 13.14 C ATOM 2024 O GLU A 119 11.863 3.957 0.947 1.00 33.20 O ATOM 2025 CB GLU A 119 11.925 3.315 -2.380 1.00 53.22 C ATOM 2026 CG GLU A 119 12.944 3.108 -3.511 1.00 51.12 C ATOM 2027 CD GLU A 119 14.294 3.790 -3.219 1.00 24.54 C ATOM 2028 OE1 GLU A 119 14.391 5.020 -3.400 1.00 44.32 O ATOM 2029 OE2 GLU A 119 15.255 3.108 -2.801 1.00 60.24 O ATOM 0 H GLU A 119 11.820 0.848 -1.960 1.00 14.24 H new ATOM 0 HA GLU A 119 13.357 2.935 -0.814 1.00 21.22 H new ATOM 0 HB2 GLU A 119 10.964 2.908 -2.695 1.00 53.22 H new ATOM 0 HB3 GLU A 119 11.783 4.385 -2.228 1.00 53.22 H new ATOM 0 HG2 GLU A 119 13.105 2.040 -3.660 1.00 51.12 H new ATOM 0 HG3 GLU A 119 12.535 3.502 -4.441 1.00 51.12 H new ATOM 2036 N PHE A 120 10.166 2.728 0.082 1.00 0.20 N ATOM 2037 CA PHE A 120 9.158 3.094 1.085 1.00 20.24 C ATOM 2038 C PHE A 120 9.590 2.681 2.500 1.00 5.04 C ATOM 2039 O PHE A 120 9.398 3.435 3.433 1.00 41.03 O ATOM 2040 CB PHE A 120 7.795 2.447 0.728 1.00 15.52 C ATOM 2041 CG PHE A 120 7.149 2.971 -0.557 1.00 11.12 C ATOM 2042 CD1 PHE A 120 7.382 4.279 -1.008 1.00 63.35 C ATOM 2043 CD2 PHE A 120 6.285 2.171 -1.301 1.00 24.52 C ATOM 2044 CE1 PHE A 120 6.771 4.756 -2.146 1.00 33.40 C ATOM 2045 CE2 PHE A 120 5.675 2.659 -2.435 1.00 22.32 C ATOM 2046 CZ PHE A 120 5.921 3.943 -2.859 1.00 73.44 C ATOM 0 H PHE A 120 9.818 2.086 -0.630 1.00 0.20 H new ATOM 0 HA PHE A 120 9.055 4.179 1.076 1.00 20.24 H new ATOM 0 HB2 PHE A 120 7.934 1.370 0.634 1.00 15.52 H new ATOM 0 HB3 PHE A 120 7.105 2.608 1.556 1.00 15.52 H new ATOM 0 HD1 PHE A 120 8.051 4.921 -0.454 1.00 63.35 H new ATOM 0 HD2 PHE A 120 6.091 1.157 -0.985 1.00 24.52 H new ATOM 0 HE1 PHE A 120 6.959 5.766 -2.478 1.00 33.40 H new ATOM 0 HE2 PHE A 120 4.999 2.029 -2.994 1.00 22.32 H new ATOM 0 HZ PHE A 120 5.446 4.315 -3.755 1.00 73.44 H new ATOM 2056 N MET A 121 10.184 1.483 2.626 1.00 22.40 N ATOM 2057 CA MET A 121 10.652 0.937 3.913 1.00 71.55 C ATOM 2058 C MET A 121 11.916 1.661 4.419 1.00 30.12 C ATOM 2059 O MET A 121 12.139 1.751 5.625 1.00 52.44 O ATOM 2060 CB MET A 121 10.895 -0.597 3.802 1.00 50.10 C ATOM 2061 CG MET A 121 9.620 -1.421 3.544 1.00 73.15 C ATOM 2062 SD MET A 121 9.893 -3.205 3.642 1.00 21.32 S ATOM 2063 CE MET A 121 10.964 -3.528 2.240 1.00 50.20 C ATOM 0 H MET A 121 10.354 0.862 1.835 1.00 22.40 H new ATOM 0 HA MET A 121 9.866 1.110 4.648 1.00 71.55 H new ATOM 0 HB2 MET A 121 11.604 -0.784 2.996 1.00 50.10 H new ATOM 0 HB3 MET A 121 11.360 -0.947 4.723 1.00 50.10 H new ATOM 0 HG2 MET A 121 8.858 -1.136 4.270 1.00 73.15 H new ATOM 0 HG3 MET A 121 9.229 -1.174 2.557 1.00 73.15 H new ATOM 0 HE1 MET A 121 11.041 -4.604 2.081 1.00 50.20 H new ATOM 0 HE2 MET A 121 10.548 -3.058 1.349 1.00 50.20 H new ATOM 0 HE3 MET A 121 11.955 -3.119 2.437 1.00 50.20 H new ATOM 2073 N GLN A 122 12.738 2.148 3.480 1.00 13.41 N ATOM 2074 CA GLN A 122 13.930 2.967 3.778 1.00 20.44 C ATOM 2075 C GLN A 122 13.532 4.330 4.383 1.00 70.42 C ATOM 2076 O GLN A 122 14.085 4.764 5.405 1.00 22.44 O ATOM 2077 CB GLN A 122 14.732 3.191 2.469 1.00 23.11 C ATOM 2078 CG GLN A 122 15.962 4.108 2.596 1.00 62.52 C ATOM 2079 CD GLN A 122 16.617 4.406 1.250 1.00 14.54 C ATOM 2080 OE1 GLN A 122 16.253 5.364 0.571 1.00 15.31 O ATOM 2081 NE2 GLN A 122 17.582 3.589 0.854 1.00 75.20 N ATOM 0 H GLN A 122 12.597 1.986 2.483 1.00 13.41 H new ATOM 0 HA GLN A 122 14.543 2.439 4.508 1.00 20.44 H new ATOM 0 HB2 GLN A 122 15.060 2.222 2.094 1.00 23.11 H new ATOM 0 HB3 GLN A 122 14.062 3.613 1.720 1.00 23.11 H new ATOM 0 HG2 GLN A 122 15.664 5.045 3.066 1.00 62.52 H new ATOM 0 HG3 GLN A 122 16.693 3.639 3.255 1.00 62.52 H new ATOM 0 HE21 GLN A 122 17.859 2.804 1.443 1.00 75.20 H new ATOM 0 HE22 GLN A 122 18.048 3.746 -0.040 1.00 75.20 H new ATOM 2090 N LYS A 123 12.554 4.971 3.730 1.00 12.05 N ATOM 2091 CA LYS A 123 12.132 6.354 4.023 1.00 12.51 C ATOM 2092 C LYS A 123 11.195 6.389 5.242 1.00 51.44 C ATOM 2093 O LYS A 123 11.245 7.315 6.056 1.00 22.32 O ATOM 2094 CB LYS A 123 11.469 6.955 2.756 1.00 0.13 C ATOM 2095 CG LYS A 123 12.419 6.957 1.530 1.00 14.44 C ATOM 2096 CD LYS A 123 11.721 7.334 0.204 1.00 15.43 C ATOM 2097 CE LYS A 123 12.676 7.221 -1.002 1.00 25.55 C ATOM 2098 NZ LYS A 123 12.050 7.690 -2.264 1.00 65.34 N ATOM 0 H LYS A 123 12.024 4.541 2.972 1.00 12.05 H new ATOM 0 HA LYS A 123 12.999 6.963 4.280 1.00 12.51 H new ATOM 0 HB2 LYS A 123 10.572 6.385 2.515 1.00 0.13 H new ATOM 0 HB3 LYS A 123 11.151 7.976 2.966 1.00 0.13 H new ATOM 0 HG2 LYS A 123 13.233 7.658 1.714 1.00 14.44 H new ATOM 0 HG3 LYS A 123 12.866 5.968 1.427 1.00 14.44 H new ATOM 0 HD2 LYS A 123 10.861 6.682 0.048 1.00 15.43 H new ATOM 0 HD3 LYS A 123 11.340 8.353 0.271 1.00 15.43 H new ATOM 0 HE2 LYS A 123 13.575 7.805 -0.806 1.00 25.55 H new ATOM 0 HE3 LYS A 123 12.989 6.183 -1.118 1.00 25.55 H new ATOM 0 HZ1 LYS A 123 12.730 7.595 -3.045 1.00 65.34 H new ATOM 0 HZ2 LYS A 123 11.207 7.116 -2.467 1.00 65.34 H new ATOM 0 HZ3 LYS A 123 11.774 8.688 -2.165 1.00 65.34 H new ATOM 2112 N ALA A 124 10.357 5.349 5.366 1.00 52.13 N ATOM 2113 CA ALA A 124 9.550 5.107 6.571 1.00 64.50 C ATOM 2114 C ALA A 124 10.468 4.696 7.726 1.00 1.30 C ATOM 2115 O ALA A 124 10.186 4.996 8.879 1.00 52.02 O ATOM 2116 CB ALA A 124 8.489 4.027 6.316 1.00 64.43 C ATOM 0 H ALA A 124 10.220 4.652 4.634 1.00 52.13 H new ATOM 0 HA ALA A 124 9.029 6.027 6.835 1.00 64.50 H new ATOM 0 HB1 ALA A 124 7.906 3.868 7.223 1.00 64.43 H new ATOM 0 HB2 ALA A 124 7.827 4.350 5.512 1.00 64.43 H new ATOM 0 HB3 ALA A 124 8.979 3.096 6.031 1.00 64.43 H new ATOM 2122 N GLY A 125 11.564 3.987 7.386 1.00 74.43 N ATOM 2123 CA GLY A 125 12.612 3.644 8.344 1.00 22.32 C ATOM 2124 C GLY A 125 13.263 4.882 8.958 1.00 0.03 C ATOM 2125 O GLY A 125 13.621 4.878 10.140 1.00 61.30 O ATOM 0 H GLY A 125 11.738 3.642 6.442 1.00 74.43 H new ATOM 0 HA2 GLY A 125 12.189 3.028 9.137 1.00 22.32 H new ATOM 0 HA3 GLY A 125 13.374 3.044 7.846 1.00 22.32 H new