USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 975 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 103 MET CE :methyl -123:sc= -1.75 (180deg=-1.25) USER MOD Set 1.2: A 106 THR OG1 : rot 171:sc= 0.239 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.45) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= -0.16 (180deg=-0.841) USER MOD Single : A 23 TYR OH : rot 142:sc= 0.59 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.14) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= -0.405 (180deg=-1.45!) USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= -0.0267 (180deg=-0.235) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0129) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 11:sc= 0.615 USER MOD Single : A 43 MET CE :methyl -143:sc= -2.18 (180deg=-5.67!) USER MOD Single : A 44 ASN : amide:sc= -1.23 K(o=-1.2,f=-4.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc=-0.00592 K(o=-0.0059,f=-1.3) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 61 GLN : amide:sc= -3.94! C(o=-3.9!,f=-5.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.0292 (180deg=-0.227) USER MOD Single : A 88 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.02) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.8!) USER MOD Single : A 100 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0103) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 153:sc= -0.131 (180deg=-1.07) USER MOD Single : A 112 LYS NZ :NH3+ -158:sc= 0.086 (180deg=0.0117) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 2.689 0.068 0.594 1.00 51.44 N ATOM 2 CA SER A 3 2.826 0.635 -0.743 1.00 14.20 C ATOM 3 C SER A 3 2.047 -0.188 -1.764 1.00 55.13 C ATOM 4 O SER A 3 1.792 -1.374 -1.558 1.00 3.30 O ATOM 5 CB SER A 3 4.301 0.702 -1.143 1.00 53.02 C ATOM 6 OG SER A 3 4.487 1.545 -2.267 1.00 15.32 O ATOM 0 HA SER A 3 2.416 1.645 -0.727 1.00 14.20 H new ATOM 0 HB2 SER A 3 4.892 1.072 -0.305 1.00 53.02 H new ATOM 0 HB3 SER A 3 4.665 -0.300 -1.372 1.00 53.02 H new ATOM 0 HG SER A 3 5.438 1.572 -2.502 1.00 15.32 H new ATOM 12 N ASN A 4 1.671 0.451 -2.867 1.00 55.42 N ATOM 13 CA ASN A 4 0.920 -0.220 -3.922 1.00 33.43 C ATOM 14 C ASN A 4 1.802 -1.216 -4.668 1.00 62.30 C ATOM 15 O ASN A 4 1.312 -2.194 -5.232 1.00 63.11 O ATOM 16 CB ASN A 4 0.348 0.806 -4.902 1.00 35.40 C ATOM 17 CG ASN A 4 1.415 1.721 -5.469 1.00 62.04 C ATOM 18 OD1 ASN A 4 1.680 2.795 -4.928 1.00 71.51 O ATOM 19 ND2 ASN A 4 2.034 1.299 -6.566 1.00 50.31 N ATOM 0 H ASN A 4 1.874 1.433 -3.054 1.00 55.42 H new ATOM 0 HA ASN A 4 0.098 -0.766 -3.458 1.00 33.43 H new ATOM 0 HB2 ASN A 4 -0.151 0.285 -5.719 1.00 35.40 H new ATOM 0 HB3 ASN A 4 -0.409 1.405 -4.396 1.00 35.40 H new ATOM 0 HD21 ASN A 4 2.761 1.872 -6.994 1.00 50.31 H new ATOM 0 HD22 ASN A 4 1.782 0.402 -6.981 1.00 50.31 H new ATOM 26 N ALA A 5 3.106 -0.960 -4.666 1.00 23.31 N ATOM 27 CA ALA A 5 4.058 -1.835 -5.340 1.00 34.10 C ATOM 28 C ALA A 5 4.732 -2.779 -4.350 1.00 44.32 C ATOM 29 O ALA A 5 5.740 -3.409 -4.667 1.00 62.20 O ATOM 30 CB ALA A 5 5.100 -1.010 -6.081 1.00 31.45 C ATOM 0 H ALA A 5 3.528 -0.154 -4.205 1.00 23.31 H new ATOM 0 HA ALA A 5 3.510 -2.440 -6.062 1.00 34.10 H new ATOM 0 HB1 ALA A 5 5.804 -1.676 -6.580 1.00 31.45 H new ATOM 0 HB2 ALA A 5 4.607 -0.382 -6.823 1.00 31.45 H new ATOM 0 HB3 ALA A 5 5.637 -0.380 -5.372 1.00 31.45 H new ATOM 36 N GLY A 6 4.170 -2.870 -3.149 1.00 32.21 N ATOM 37 CA GLY A 6 4.732 -3.739 -2.131 1.00 14.41 C ATOM 38 C GLY A 6 4.688 -5.201 -2.528 1.00 3.12 C ATOM 39 O GLY A 6 5.539 -5.988 -2.115 1.00 31.50 O ATOM 0 H GLY A 6 3.336 -2.358 -2.862 1.00 32.21 H new ATOM 0 HA2 GLY A 6 5.765 -3.449 -1.940 1.00 14.41 H new ATOM 0 HA3 GLY A 6 4.185 -3.602 -1.198 1.00 14.41 H new ATOM 43 N ALA A 7 3.693 -5.565 -3.330 1.00 64.42 N ATOM 44 CA ALA A 7 3.543 -6.943 -3.783 1.00 53.40 C ATOM 45 C ALA A 7 4.633 -7.314 -4.783 1.00 32.35 C ATOM 46 O ALA A 7 5.235 -8.385 -4.689 1.00 54.52 O ATOM 47 CB ALA A 7 2.167 -7.148 -4.399 1.00 73.00 C ATOM 0 H ALA A 7 2.979 -4.926 -3.679 1.00 64.42 H new ATOM 0 HA ALA A 7 3.643 -7.598 -2.917 1.00 53.40 H new ATOM 0 HB1 ALA A 7 2.068 -8.181 -4.733 1.00 73.00 H new ATOM 0 HB2 ALA A 7 1.400 -6.932 -3.656 1.00 73.00 H new ATOM 0 HB3 ALA A 7 2.046 -6.478 -5.250 1.00 73.00 H new ATOM 53 N ILE A 8 4.881 -6.425 -5.738 1.00 1.10 N ATOM 54 CA ILE A 8 5.899 -6.660 -6.754 1.00 61.42 C ATOM 55 C ILE A 8 7.301 -6.532 -6.168 1.00 50.52 C ATOM 56 O ILE A 8 8.190 -7.324 -6.479 1.00 12.12 O ATOM 57 CB ILE A 8 5.755 -5.680 -7.933 1.00 4.51 C ATOM 58 CG1 ILE A 8 4.358 -5.788 -8.547 1.00 43.43 C ATOM 59 CG2 ILE A 8 6.824 -5.951 -8.981 1.00 74.55 C ATOM 60 CD1 ILE A 8 3.368 -4.799 -7.973 1.00 35.30 C ATOM 0 H ILE A 8 4.391 -5.535 -5.830 1.00 1.10 H new ATOM 0 HA ILE A 8 5.752 -7.677 -7.118 1.00 61.42 H new ATOM 0 HB ILE A 8 5.889 -4.664 -7.561 1.00 4.51 H new ATOM 0 HG12 ILE A 8 4.430 -5.634 -9.624 1.00 43.43 H new ATOM 0 HG13 ILE A 8 3.980 -6.799 -8.394 1.00 43.43 H new ATOM 0 HG21 ILE A 8 6.709 -5.250 -9.808 1.00 74.55 H new ATOM 0 HG22 ILE A 8 7.811 -5.827 -8.535 1.00 74.55 H new ATOM 0 HG23 ILE A 8 6.719 -6.970 -9.352 1.00 74.55 H new ATOM 0 HD11 ILE A 8 2.399 -4.933 -8.455 1.00 35.30 H new ATOM 0 HD12 ILE A 8 3.266 -4.967 -6.901 1.00 35.30 H new ATOM 0 HD13 ILE A 8 3.724 -3.784 -8.150 1.00 35.30 H new ATOM 72 N ALA A 9 7.491 -5.528 -5.317 1.00 72.43 N ATOM 73 CA ALA A 9 8.783 -5.298 -4.684 1.00 43.13 C ATOM 74 C ALA A 9 9.171 -6.467 -3.785 1.00 73.13 C ATOM 75 O ALA A 9 10.352 -6.770 -3.617 1.00 42.11 O ATOM 76 CB ALA A 9 8.757 -4.002 -3.887 1.00 32.54 C ATOM 0 H ALA A 9 6.766 -4.862 -5.051 1.00 72.43 H new ATOM 0 HA ALA A 9 9.534 -5.214 -5.469 1.00 43.13 H new ATOM 0 HB1 ALA A 9 9.729 -3.843 -3.419 1.00 32.54 H new ATOM 0 HB2 ALA A 9 8.534 -3.169 -4.554 1.00 32.54 H new ATOM 0 HB3 ALA A 9 7.989 -4.064 -3.116 1.00 32.54 H new ATOM 82 N LYS A 10 8.168 -7.121 -3.209 1.00 22.35 N ATOM 83 CA LYS A 10 8.403 -8.258 -2.326 1.00 71.34 C ATOM 84 C LYS A 10 8.915 -9.460 -3.113 1.00 63.51 C ATOM 85 O LYS A 10 9.424 -10.422 -2.535 1.00 61.25 O ATOM 86 CB LYS A 10 7.116 -8.630 -1.587 1.00 30.33 C ATOM 87 CG LYS A 10 6.934 -7.891 -0.272 1.00 43.25 C ATOM 88 CD LYS A 10 5.500 -7.974 0.221 1.00 75.53 C ATOM 89 CE LYS A 10 5.280 -7.102 1.447 1.00 51.31 C ATOM 90 NZ LYS A 10 5.598 -7.827 2.708 1.00 10.11 N ATOM 0 H LYS A 10 7.184 -6.883 -3.338 1.00 22.35 H new ATOM 0 HA LYS A 10 9.163 -7.971 -1.599 1.00 71.34 H new ATOM 0 HB2 LYS A 10 6.263 -8.421 -2.233 1.00 30.33 H new ATOM 0 HB3 LYS A 10 7.115 -9.703 -1.394 1.00 30.33 H new ATOM 0 HG2 LYS A 10 7.603 -8.312 0.479 1.00 43.25 H new ATOM 0 HG3 LYS A 10 7.216 -6.846 -0.399 1.00 43.25 H new ATOM 0 HD2 LYS A 10 4.822 -7.663 -0.574 1.00 75.53 H new ATOM 0 HD3 LYS A 10 5.256 -9.009 0.461 1.00 75.53 H new ATOM 0 HE2 LYS A 10 5.902 -6.210 1.374 1.00 51.31 H new ATOM 0 HE3 LYS A 10 4.243 -6.766 1.473 1.00 51.31 H new ATOM 0 HZ1 LYS A 10 5.435 -7.198 3.520 1.00 10.11 H new ATOM 0 HZ2 LYS A 10 4.987 -8.665 2.790 1.00 10.11 H new ATOM 0 HZ3 LYS A 10 6.594 -8.125 2.695 1.00 10.11 H new ATOM 104 N LEU A 11 8.779 -9.399 -4.433 1.00 65.41 N ATOM 105 CA LEU A 11 9.230 -10.483 -5.300 1.00 4.14 C ATOM 106 C LEU A 11 10.734 -10.398 -5.540 1.00 23.23 C ATOM 107 O LEU A 11 11.364 -11.376 -5.945 1.00 50.31 O ATOM 108 CB LEU A 11 8.486 -10.438 -6.635 1.00 52.21 C ATOM 109 CG LEU A 11 6.983 -10.164 -6.557 1.00 64.40 C ATOM 110 CD1 LEU A 11 6.352 -10.255 -7.938 1.00 10.34 C ATOM 111 CD2 LEU A 11 6.313 -11.137 -5.597 1.00 65.15 C ATOM 0 H LEU A 11 8.360 -8.611 -4.927 1.00 65.41 H new ATOM 0 HA LEU A 11 9.013 -11.428 -4.802 1.00 4.14 H new ATOM 0 HB2 LEU A 11 8.943 -9.669 -7.257 1.00 52.21 H new ATOM 0 HB3 LEU A 11 8.636 -11.390 -7.144 1.00 52.21 H new ATOM 0 HG LEU A 11 6.836 -9.152 -6.179 1.00 64.40 H new ATOM 0 HD11 LEU A 11 5.283 -10.057 -7.863 1.00 10.34 H new ATOM 0 HD12 LEU A 11 6.812 -9.519 -8.597 1.00 10.34 H new ATOM 0 HD13 LEU A 11 6.509 -11.254 -8.344 1.00 10.34 H new ATOM 0 HD21 LEU A 11 5.244 -10.928 -5.554 1.00 65.15 H new ATOM 0 HD22 LEU A 11 6.469 -12.158 -5.946 1.00 65.15 H new ATOM 0 HD23 LEU A 11 6.745 -11.023 -4.603 1.00 65.15 H new ATOM 123 N ILE A 12 11.304 -9.225 -5.285 1.00 54.00 N ATOM 124 CA ILE A 12 12.734 -9.014 -5.470 1.00 70.34 C ATOM 125 C ILE A 12 13.547 -10.017 -4.659 1.00 61.42 C ATOM 126 O ILE A 12 14.361 -10.771 -5.193 1.00 72.24 O ATOM 127 CB ILE A 12 13.150 -7.587 -5.067 1.00 32.44 C ATOM 128 CG1 ILE A 12 13.004 -6.635 -6.255 1.00 15.41 C ATOM 129 CG2 ILE A 12 14.580 -7.579 -4.547 1.00 72.43 C ATOM 130 CD1 ILE A 12 13.967 -6.925 -7.384 1.00 42.22 C ATOM 0 H ILE A 12 10.797 -8.406 -4.950 1.00 54.00 H new ATOM 0 HA ILE A 12 12.939 -9.157 -6.531 1.00 70.34 H new ATOM 0 HB ILE A 12 12.492 -7.244 -4.268 1.00 32.44 H new ATOM 0 HG12 ILE A 12 11.984 -6.694 -6.634 1.00 15.41 H new ATOM 0 HG13 ILE A 12 13.157 -5.612 -5.911 1.00 15.41 H new ATOM 0 HG21 ILE A 12 14.859 -6.564 -4.266 1.00 72.43 H new ATOM 0 HG22 ILE A 12 14.654 -8.230 -3.676 1.00 72.43 H new ATOM 0 HG23 ILE A 12 15.252 -7.938 -5.326 1.00 72.43 H new ATOM 0 HD11 ILE A 12 13.806 -6.211 -8.192 1.00 42.22 H new ATOM 0 HD12 ILE A 12 14.991 -6.837 -7.021 1.00 42.22 H new ATOM 0 HD13 ILE A 12 13.799 -7.936 -7.755 1.00 42.22 H new ATOM 142 N PRO A 13 13.322 -10.030 -3.337 1.00 2.21 N ATOM 143 CA PRO A 13 14.022 -10.938 -2.423 1.00 44.44 C ATOM 144 C PRO A 13 13.595 -12.390 -2.609 1.00 4.33 C ATOM 145 O PRO A 13 14.317 -13.313 -2.231 1.00 33.13 O ATOM 146 CB PRO A 13 13.612 -10.432 -1.038 1.00 24.31 C ATOM 147 CG PRO A 13 12.302 -9.756 -1.253 1.00 64.55 C ATOM 148 CD PRO A 13 12.367 -9.159 -2.632 1.00 35.11 C ATOM 0 HA PRO A 13 15.099 -10.936 -2.591 1.00 44.44 H new ATOM 0 HB2 PRO A 13 13.521 -11.254 -0.327 1.00 24.31 H new ATOM 0 HB3 PRO A 13 14.352 -9.741 -0.634 1.00 24.31 H new ATOM 0 HG2 PRO A 13 11.479 -10.466 -1.173 1.00 64.55 H new ATOM 0 HG3 PRO A 13 12.132 -8.985 -0.501 1.00 64.55 H new ATOM 0 HD2 PRO A 13 11.390 -9.159 -3.116 1.00 35.11 H new ATOM 0 HD3 PRO A 13 12.710 -8.125 -2.606 1.00 35.11 H new ATOM 156 N LYS A 14 12.418 -12.585 -3.193 1.00 63.32 N ATOM 157 CA LYS A 14 11.895 -13.925 -3.431 1.00 31.31 C ATOM 158 C LYS A 14 12.902 -14.774 -4.200 1.00 60.31 C ATOM 159 O LYS A 14 13.133 -15.937 -3.866 1.00 34.21 O ATOM 160 CB LYS A 14 10.578 -13.850 -4.206 1.00 75.42 C ATOM 161 CG LYS A 14 9.387 -14.395 -3.436 1.00 71.02 C ATOM 162 CD LYS A 14 9.360 -15.914 -3.453 1.00 34.20 C ATOM 163 CE LYS A 14 8.553 -16.444 -4.629 1.00 21.24 C ATOM 164 NZ LYS A 14 7.128 -16.017 -4.561 1.00 42.34 N ATOM 0 H LYS A 14 11.808 -11.832 -3.510 1.00 63.32 H new ATOM 0 HA LYS A 14 11.715 -14.394 -2.464 1.00 31.31 H new ATOM 0 HB2 LYS A 14 10.382 -12.812 -4.474 1.00 75.42 H new ATOM 0 HB3 LYS A 14 10.682 -14.405 -5.138 1.00 75.42 H new ATOM 0 HG2 LYS A 14 9.427 -14.042 -2.405 1.00 71.02 H new ATOM 0 HG3 LYS A 14 8.465 -14.009 -3.870 1.00 71.02 H new ATOM 0 HD2 LYS A 14 10.379 -16.297 -3.508 1.00 34.20 H new ATOM 0 HD3 LYS A 14 8.931 -16.282 -2.521 1.00 34.20 H new ATOM 0 HE2 LYS A 14 8.994 -16.090 -5.561 1.00 21.24 H new ATOM 0 HE3 LYS A 14 8.606 -17.533 -4.644 1.00 21.24 H new ATOM 0 HZ1 LYS A 14 6.533 -16.712 -5.056 1.00 42.34 H new ATOM 0 HZ2 LYS A 14 6.832 -15.954 -3.566 1.00 42.34 H new ATOM 0 HZ3 LYS A 14 7.022 -15.087 -5.014 1.00 42.34 H new ATOM 178 N LEU A 15 13.500 -14.186 -5.230 1.00 62.11 N ATOM 179 CA LEU A 15 14.485 -14.888 -6.046 1.00 74.41 C ATOM 180 C LEU A 15 15.880 -14.763 -5.444 1.00 4.40 C ATOM 181 O LEU A 15 16.746 -15.606 -5.675 1.00 73.02 O ATOM 182 CB LEU A 15 14.481 -14.336 -7.473 1.00 34.53 C ATOM 183 CG LEU A 15 13.118 -14.273 -8.164 1.00 62.00 C ATOM 184 CD1 LEU A 15 12.958 -12.956 -8.908 1.00 70.41 C ATOM 185 CD2 LEU A 15 12.947 -15.449 -9.114 1.00 61.14 C ATOM 0 H LEU A 15 13.320 -13.225 -5.520 1.00 62.11 H new ATOM 0 HA LEU A 15 14.214 -15.943 -6.071 1.00 74.41 H new ATOM 0 HB2 LEU A 15 14.903 -13.331 -7.454 1.00 34.53 H new ATOM 0 HB3 LEU A 15 15.146 -14.950 -8.081 1.00 34.53 H new ATOM 0 HG LEU A 15 12.342 -14.333 -7.401 1.00 62.00 H new ATOM 0 HD11 LEU A 15 11.983 -12.929 -9.394 1.00 70.41 H new ATOM 0 HD12 LEU A 15 13.036 -12.128 -8.203 1.00 70.41 H new ATOM 0 HD13 LEU A 15 13.741 -12.866 -9.661 1.00 70.41 H new ATOM 0 HD21 LEU A 15 11.972 -15.388 -9.597 1.00 61.14 H new ATOM 0 HD22 LEU A 15 13.730 -15.421 -9.872 1.00 61.14 H new ATOM 0 HD23 LEU A 15 13.017 -16.382 -8.555 1.00 61.14 H new ATOM 197 N GLY A 16 16.092 -13.704 -4.668 1.00 14.30 N ATOM 198 CA GLY A 16 17.383 -13.488 -4.043 1.00 3.03 C ATOM 199 C GLY A 16 17.865 -14.702 -3.274 1.00 21.15 C ATOM 200 O GLY A 16 19.057 -15.009 -3.270 1.00 34.11 O ATOM 0 H GLY A 16 15.392 -12.992 -4.461 1.00 14.30 H new ATOM 0 HA2 GLY A 16 18.116 -13.232 -4.809 1.00 3.03 H new ATOM 0 HA3 GLY A 16 17.318 -12.636 -3.367 1.00 3.03 H new ATOM 204 N GLU A 17 16.937 -15.393 -2.619 1.00 73.03 N ATOM 205 CA GLU A 17 17.275 -16.579 -1.841 1.00 11.20 C ATOM 206 C GLU A 17 17.879 -17.660 -2.732 1.00 20.40 C ATOM 207 O GLU A 17 18.735 -18.432 -2.298 1.00 21.25 O ATOM 208 CB GLU A 17 16.033 -17.122 -1.132 1.00 14.02 C ATOM 209 CG GLU A 17 16.337 -17.805 0.191 1.00 13.21 C ATOM 210 CD GLU A 17 15.360 -18.920 0.510 1.00 11.12 C ATOM 211 OE1 GLU A 17 14.222 -18.876 -0.003 1.00 41.21 O ATOM 212 OE2 GLU A 17 15.733 -19.836 1.273 1.00 55.24 O ATOM 0 H GLU A 17 15.946 -15.152 -2.612 1.00 73.03 H new ATOM 0 HA GLU A 17 18.015 -16.293 -1.094 1.00 11.20 H new ATOM 0 HB2 GLU A 17 15.337 -16.301 -0.956 1.00 14.02 H new ATOM 0 HB3 GLU A 17 15.530 -17.831 -1.790 1.00 14.02 H new ATOM 0 HG2 GLU A 17 17.348 -18.210 0.162 1.00 13.21 H new ATOM 0 HG3 GLU A 17 16.313 -17.066 0.991 1.00 13.21 H new ATOM 219 N LEU A 18 17.427 -17.711 -3.980 1.00 41.31 N ATOM 220 CA LEU A 18 17.922 -18.698 -4.934 1.00 12.32 C ATOM 221 C LEU A 18 19.177 -18.193 -5.638 1.00 40.11 C ATOM 222 O LEU A 18 19.797 -18.916 -6.419 1.00 61.00 O ATOM 223 CB LEU A 18 16.841 -19.025 -5.966 1.00 20.24 C ATOM 224 CG LEU A 18 16.200 -20.409 -5.850 1.00 12.52 C ATOM 225 CD1 LEU A 18 17.262 -21.495 -5.899 1.00 64.34 C ATOM 226 CD2 LEU A 18 15.386 -20.514 -4.568 1.00 42.32 C ATOM 0 H LEU A 18 16.718 -17.081 -4.355 1.00 41.31 H new ATOM 0 HA LEU A 18 18.176 -19.604 -4.384 1.00 12.32 H new ATOM 0 HB2 LEU A 18 16.054 -18.274 -5.889 1.00 20.24 H new ATOM 0 HB3 LEU A 18 17.276 -18.930 -6.961 1.00 20.24 H new ATOM 0 HG LEU A 18 15.528 -20.549 -6.696 1.00 12.52 H new ATOM 0 HD11 LEU A 18 16.787 -22.472 -5.815 1.00 64.34 H new ATOM 0 HD12 LEU A 18 17.802 -21.434 -6.844 1.00 64.34 H new ATOM 0 HD13 LEU A 18 17.960 -21.359 -5.073 1.00 64.34 H new ATOM 0 HD21 LEU A 18 14.937 -21.505 -4.502 1.00 42.32 H new ATOM 0 HD22 LEU A 18 16.037 -20.353 -3.709 1.00 42.32 H new ATOM 0 HD23 LEU A 18 14.600 -19.759 -4.574 1.00 42.32 H new ATOM 238 N LEU A 19 19.548 -16.949 -5.356 1.00 13.13 N ATOM 239 CA LEU A 19 20.731 -16.347 -5.960 1.00 61.23 C ATOM 240 C LEU A 19 21.932 -16.450 -5.025 1.00 41.35 C ATOM 241 O LEU A 19 23.049 -16.082 -5.390 1.00 11.53 O ATOM 242 CB LEU A 19 20.463 -14.881 -6.305 1.00 74.32 C ATOM 243 CG LEU A 19 20.267 -14.566 -7.789 1.00 2.34 C ATOM 244 CD1 LEU A 19 21.539 -14.860 -8.569 1.00 32.10 C ATOM 245 CD2 LEU A 19 19.097 -15.359 -8.353 1.00 3.41 C ATOM 0 H LEU A 19 19.046 -16.337 -4.712 1.00 13.13 H new ATOM 0 HA LEU A 19 20.958 -16.893 -6.876 1.00 61.23 H new ATOM 0 HB2 LEU A 19 19.573 -14.558 -5.765 1.00 74.32 H new ATOM 0 HB3 LEU A 19 21.295 -14.283 -5.934 1.00 74.32 H new ATOM 0 HG LEU A 19 20.041 -13.504 -7.889 1.00 2.34 H new ATOM 0 HD11 LEU A 19 21.381 -14.630 -9.623 1.00 32.10 H new ATOM 0 HD12 LEU A 19 22.353 -14.247 -8.182 1.00 32.10 H new ATOM 0 HD13 LEU A 19 21.796 -15.914 -8.462 1.00 32.10 H new ATOM 0 HD21 LEU A 19 18.973 -15.122 -9.410 1.00 3.41 H new ATOM 0 HD22 LEU A 19 19.292 -16.425 -8.241 1.00 3.41 H new ATOM 0 HD23 LEU A 19 18.187 -15.098 -7.813 1.00 3.41 H new ATOM 257 N VAL A 20 21.695 -16.955 -3.819 1.00 11.51 N ATOM 258 CA VAL A 20 22.757 -17.109 -2.832 1.00 64.14 C ATOM 259 C VAL A 20 23.596 -18.350 -3.118 1.00 1.30 C ATOM 260 O VAL A 20 24.780 -18.401 -2.789 1.00 3.44 O ATOM 261 CB VAL A 20 22.188 -17.205 -1.405 1.00 31.34 C ATOM 262 CG1 VAL A 20 21.319 -15.996 -1.093 1.00 60.24 C ATOM 263 CG2 VAL A 20 21.402 -18.496 -1.231 1.00 12.02 C ATOM 0 H VAL A 20 20.776 -17.265 -3.502 1.00 11.51 H new ATOM 0 HA VAL A 20 23.387 -16.223 -2.904 1.00 64.14 H new ATOM 0 HB VAL A 20 23.020 -17.215 -0.701 1.00 31.34 H new ATOM 0 HG11 VAL A 20 20.926 -16.082 -0.080 1.00 60.24 H new ATOM 0 HG12 VAL A 20 21.916 -15.088 -1.174 1.00 60.24 H new ATOM 0 HG13 VAL A 20 20.491 -15.951 -1.801 1.00 60.24 H new ATOM 0 HG21 VAL A 20 21.007 -18.547 -0.216 1.00 12.02 H new ATOM 0 HG22 VAL A 20 20.577 -18.519 -1.943 1.00 12.02 H new ATOM 0 HG23 VAL A 20 22.058 -19.348 -1.409 1.00 12.02 H new ATOM 273 N GLY A 21 22.973 -19.350 -3.734 1.00 41.22 N ATOM 274 CA GLY A 21 23.678 -20.577 -4.054 1.00 75.55 C ATOM 275 C GLY A 21 23.852 -21.478 -2.848 1.00 14.14 C ATOM 276 O GLY A 21 24.814 -22.241 -2.769 1.00 35.21 O ATOM 0 H GLY A 21 21.993 -19.332 -4.017 1.00 41.22 H new ATOM 0 HA2 GLY A 21 23.132 -21.114 -4.829 1.00 75.55 H new ATOM 0 HA3 GLY A 21 24.657 -20.333 -4.465 1.00 75.55 H new ATOM 280 N GLU A 22 22.919 -21.387 -1.904 1.00 64.42 N ATOM 281 CA GLU A 22 22.977 -22.199 -0.694 1.00 74.12 C ATOM 282 C GLU A 22 21.892 -23.272 -0.707 1.00 72.32 C ATOM 283 O GLU A 22 20.873 -23.149 -0.027 1.00 51.41 O ATOM 284 CB GLU A 22 22.822 -21.317 0.546 1.00 12.13 C ATOM 285 CG GLU A 22 23.484 -21.891 1.788 1.00 54.12 C ATOM 286 CD GLU A 22 22.858 -21.380 3.071 1.00 23.03 C ATOM 287 OE1 GLU A 22 23.270 -20.299 3.542 1.00 52.45 O ATOM 288 OE2 GLU A 22 21.958 -22.061 3.606 1.00 43.04 O ATOM 0 H GLU A 22 22.116 -20.760 -1.954 1.00 64.42 H new ATOM 0 HA GLU A 22 23.950 -22.690 -0.663 1.00 74.12 H new ATOM 0 HB2 GLU A 22 23.247 -20.335 0.339 1.00 12.13 H new ATOM 0 HB3 GLU A 22 21.761 -21.169 0.746 1.00 12.13 H new ATOM 0 HG2 GLU A 22 23.415 -22.979 1.762 1.00 54.12 H new ATOM 0 HG3 GLU A 22 24.544 -21.639 1.780 1.00 54.12 H new ATOM 295 N TYR A 23 22.118 -24.324 -1.486 1.00 23.42 N ATOM 296 CA TYR A 23 21.160 -25.418 -1.591 1.00 32.15 C ATOM 297 C TYR A 23 21.862 -26.727 -1.940 1.00 4.45 C ATOM 298 O TYR A 23 23.091 -26.795 -1.978 1.00 1.04 O ATOM 299 CB TYR A 23 20.101 -25.097 -2.647 1.00 63.10 C ATOM 300 CG TYR A 23 19.319 -23.836 -2.357 1.00 33.44 C ATOM 301 CD1 TYR A 23 18.188 -23.867 -1.550 1.00 31.20 C ATOM 302 CD2 TYR A 23 19.711 -22.614 -2.888 1.00 60.02 C ATOM 303 CE1 TYR A 23 17.470 -22.718 -1.283 1.00 14.12 C ATOM 304 CE2 TYR A 23 19.000 -21.459 -2.625 1.00 74.31 C ATOM 305 CZ TYR A 23 17.879 -21.517 -1.822 1.00 45.53 C ATOM 306 OH TYR A 23 17.167 -20.369 -1.557 1.00 65.23 O ATOM 0 H TYR A 23 22.957 -24.442 -2.054 1.00 23.42 H new ATOM 0 HA TYR A 23 20.674 -25.535 -0.622 1.00 32.15 H new ATOM 0 HB2 TYR A 23 20.587 -24.998 -3.618 1.00 63.10 H new ATOM 0 HB3 TYR A 23 19.408 -25.935 -2.721 1.00 63.10 H new ATOM 0 HD1 TYR A 23 17.865 -24.806 -1.124 1.00 31.20 H new ATOM 0 HD2 TYR A 23 20.587 -22.566 -3.518 1.00 60.02 H new ATOM 0 HE1 TYR A 23 16.592 -22.760 -0.655 1.00 14.12 H new ATOM 0 HE2 TYR A 23 19.319 -20.517 -3.045 1.00 74.31 H new ATOM 0 HH TYR A 23 17.787 -19.619 -1.439 1.00 65.23 H new ATOM 316 N LYS A 24 21.073 -27.765 -2.195 1.00 10.53 N ATOM 317 CA LYS A 24 21.616 -29.072 -2.543 1.00 21.10 C ATOM 318 C LYS A 24 21.386 -29.381 -4.019 1.00 24.01 C ATOM 319 O LYS A 24 20.794 -30.404 -4.365 1.00 32.03 O ATOM 320 CB LYS A 24 20.976 -30.160 -1.678 1.00 10.03 C ATOM 321 CG LYS A 24 21.183 -29.952 -0.187 1.00 64.34 C ATOM 322 CD LYS A 24 22.392 -30.721 0.320 1.00 72.31 C ATOM 323 CE LYS A 24 22.371 -30.855 1.835 1.00 63.42 C ATOM 324 NZ LYS A 24 22.665 -29.561 2.510 1.00 31.12 N ATOM 0 H LYS A 24 20.054 -27.726 -2.167 1.00 10.53 H new ATOM 0 HA LYS A 24 22.690 -29.053 -2.357 1.00 21.10 H new ATOM 0 HB2 LYS A 24 19.907 -30.196 -1.886 1.00 10.03 H new ATOM 0 HB3 LYS A 24 21.389 -31.128 -1.962 1.00 10.03 H new ATOM 0 HG2 LYS A 24 21.314 -28.890 0.019 1.00 64.34 H new ATOM 0 HG3 LYS A 24 20.293 -30.274 0.353 1.00 64.34 H new ATOM 0 HD2 LYS A 24 22.411 -31.712 -0.134 1.00 72.31 H new ATOM 0 HD3 LYS A 24 23.305 -30.211 0.011 1.00 72.31 H new ATOM 0 HE2 LYS A 24 21.394 -31.217 2.154 1.00 63.42 H new ATOM 0 HE3 LYS A 24 23.104 -31.601 2.144 1.00 63.42 H new ATOM 0 HZ1 LYS A 24 22.641 -29.694 3.541 1.00 31.12 H new ATOM 0 HZ2 LYS A 24 23.608 -29.227 2.226 1.00 31.12 H new ATOM 0 HZ3 LYS A 24 21.951 -28.856 2.235 1.00 31.12 H new ATOM 338 N LEU A 25 21.860 -28.492 -4.885 1.00 71.22 N ATOM 339 CA LEU A 25 21.708 -28.671 -6.325 1.00 55.10 C ATOM 340 C LEU A 25 22.838 -27.981 -7.082 1.00 12.10 C ATOM 341 O LEU A 25 23.652 -27.270 -6.491 1.00 72.41 O ATOM 342 CB LEU A 25 20.358 -28.119 -6.787 1.00 73.33 C ATOM 343 CG LEU A 25 19.888 -26.835 -6.103 1.00 52.15 C ATOM 344 CD1 LEU A 25 20.762 -25.661 -6.514 1.00 44.44 C ATOM 345 CD2 LEU A 25 18.429 -26.557 -6.435 1.00 32.20 C ATOM 0 H LEU A 25 22.353 -27.640 -4.615 1.00 71.22 H new ATOM 0 HA LEU A 25 21.751 -29.739 -6.540 1.00 55.10 H new ATOM 0 HB2 LEU A 25 20.411 -27.937 -7.860 1.00 73.33 H new ATOM 0 HB3 LEU A 25 19.601 -28.888 -6.631 1.00 73.33 H new ATOM 0 HG LEU A 25 19.976 -26.968 -5.025 1.00 52.15 H new ATOM 0 HD11 LEU A 25 20.413 -24.756 -6.017 1.00 44.44 H new ATOM 0 HD12 LEU A 25 21.795 -25.858 -6.225 1.00 44.44 H new ATOM 0 HD13 LEU A 25 20.706 -25.527 -7.594 1.00 44.44 H new ATOM 0 HD21 LEU A 25 18.112 -25.639 -5.940 1.00 32.20 H new ATOM 0 HD22 LEU A 25 18.316 -26.445 -7.513 1.00 32.20 H new ATOM 0 HD23 LEU A 25 17.813 -27.387 -6.090 1.00 32.20 H new ATOM 357 N HIS A 26 22.881 -28.193 -8.394 1.00 31.35 N ATOM 358 CA HIS A 26 23.910 -27.589 -9.232 1.00 60.44 C ATOM 359 C HIS A 26 23.994 -26.085 -8.991 1.00 24.34 C ATOM 360 O HIS A 26 22.974 -25.407 -8.868 1.00 62.04 O ATOM 361 CB HIS A 26 23.621 -27.865 -10.708 1.00 63.03 C ATOM 362 CG HIS A 26 23.814 -29.298 -11.099 1.00 3.01 C ATOM 363 ND1 HIS A 26 24.769 -30.112 -10.527 1.00 32.14 N ATOM 364 CD2 HIS A 26 23.167 -30.062 -12.010 1.00 22.23 C ATOM 365 CE1 HIS A 26 24.702 -31.314 -11.070 1.00 33.53 C ATOM 366 NE2 HIS A 26 23.737 -31.311 -11.972 1.00 45.23 N ATOM 0 H HIS A 26 22.215 -28.778 -8.899 1.00 31.35 H new ATOM 0 HA HIS A 26 24.868 -28.035 -8.967 1.00 60.44 H new ATOM 0 HB2 HIS A 26 22.595 -27.572 -10.930 1.00 63.03 H new ATOM 0 HB3 HIS A 26 24.271 -27.239 -11.320 1.00 63.03 H new ATOM 0 HD2 HIS A 26 22.354 -29.748 -12.648 1.00 22.23 H new ATOM 0 HE1 HIS A 26 25.330 -32.156 -10.819 1.00 33.53 H new ATOM 0 HE2 HIS A 26 23.460 -32.107 -12.547 1.00 45.23 H new ATOM 374 N LYS A 27 25.217 -25.570 -8.922 1.00 1.23 N ATOM 375 CA LYS A 27 25.436 -24.146 -8.695 1.00 61.20 C ATOM 376 C LYS A 27 25.024 -23.331 -9.917 1.00 23.02 C ATOM 377 O LYS A 27 24.917 -22.107 -9.851 1.00 72.31 O ATOM 378 CB LYS A 27 26.907 -23.882 -8.364 1.00 53.33 C ATOM 379 CG LYS A 27 27.266 -24.170 -6.917 1.00 12.42 C ATOM 380 CD LYS A 27 27.641 -25.628 -6.715 1.00 33.22 C ATOM 381 CE LYS A 27 29.120 -25.865 -6.976 1.00 43.32 C ATOM 382 NZ LYS A 27 29.404 -26.056 -8.426 1.00 33.34 N ATOM 0 H LYS A 27 26.072 -26.118 -9.020 1.00 1.23 H new ATOM 0 HA LYS A 27 24.819 -23.838 -7.851 1.00 61.20 H new ATOM 0 HB2 LYS A 27 27.532 -24.494 -9.014 1.00 53.33 H new ATOM 0 HB3 LYS A 27 27.140 -22.841 -8.587 1.00 53.33 H new ATOM 0 HG2 LYS A 27 28.098 -23.534 -6.614 1.00 12.42 H new ATOM 0 HG3 LYS A 27 26.422 -23.918 -6.275 1.00 12.42 H new ATOM 0 HD2 LYS A 27 27.398 -25.929 -5.696 1.00 33.22 H new ATOM 0 HD3 LYS A 27 27.048 -26.253 -7.383 1.00 33.22 H new ATOM 0 HE2 LYS A 27 29.695 -25.018 -6.602 1.00 43.32 H new ATOM 0 HE3 LYS A 27 29.450 -26.744 -6.422 1.00 43.32 H new ATOM 0 HZ1 LYS A 27 30.160 -26.761 -8.542 1.00 33.34 H new ATOM 0 HZ2 LYS A 27 28.544 -26.389 -8.907 1.00 33.34 H new ATOM 0 HZ3 LYS A 27 29.706 -25.152 -8.843 1.00 33.34 H new ATOM 396 N GLY A 28 24.794 -24.019 -11.031 1.00 54.43 N ATOM 397 CA GLY A 28 24.395 -23.342 -12.251 1.00 52.44 C ATOM 398 C GLY A 28 22.925 -22.970 -12.254 1.00 43.15 C ATOM 399 O GLY A 28 22.512 -22.049 -12.959 1.00 73.23 O ATOM 0 H GLY A 28 24.877 -25.033 -11.110 1.00 54.43 H new ATOM 0 HA2 GLY A 28 24.995 -22.440 -12.375 1.00 52.44 H new ATOM 0 HA3 GLY A 28 24.605 -23.985 -13.105 1.00 52.44 H new ATOM 403 N VAL A 29 22.133 -23.689 -11.465 1.00 50.34 N ATOM 404 CA VAL A 29 20.701 -23.430 -11.380 1.00 54.01 C ATOM 405 C VAL A 29 20.426 -21.995 -10.943 1.00 64.43 C ATOM 406 O VAL A 29 19.573 -21.314 -11.512 1.00 1.43 O ATOM 407 CB VAL A 29 20.014 -24.395 -10.396 1.00 13.04 C ATOM 408 CG1 VAL A 29 18.508 -24.178 -10.398 1.00 21.01 C ATOM 409 CG2 VAL A 29 20.353 -25.837 -10.740 1.00 23.44 C ATOM 0 H VAL A 29 22.459 -24.455 -10.876 1.00 50.34 H new ATOM 0 HA VAL A 29 20.291 -23.587 -12.378 1.00 54.01 H new ATOM 0 HB VAL A 29 20.385 -24.188 -9.392 1.00 13.04 H new ATOM 0 HG11 VAL A 29 18.040 -24.869 -9.697 1.00 21.01 H new ATOM 0 HG12 VAL A 29 18.288 -23.153 -10.099 1.00 21.01 H new ATOM 0 HG13 VAL A 29 18.116 -24.356 -11.399 1.00 21.01 H new ATOM 0 HG21 VAL A 29 19.859 -26.505 -10.034 1.00 23.44 H new ATOM 0 HG22 VAL A 29 20.011 -26.060 -11.751 1.00 23.44 H new ATOM 0 HG23 VAL A 29 21.432 -25.981 -10.682 1.00 23.44 H new ATOM 419 N LYS A 30 21.156 -21.542 -9.930 1.00 11.32 N ATOM 420 CA LYS A 30 20.994 -20.187 -9.416 1.00 50.30 C ATOM 421 C LYS A 30 21.184 -19.158 -10.526 1.00 2.32 C ATOM 422 O LYS A 30 20.595 -18.077 -10.493 1.00 21.14 O ATOM 423 CB LYS A 30 21.993 -19.925 -8.286 1.00 54.24 C ATOM 424 CG LYS A 30 23.438 -19.874 -8.752 1.00 34.45 C ATOM 425 CD LYS A 30 23.962 -18.449 -8.789 1.00 1.22 C ATOM 426 CE LYS A 30 24.266 -17.930 -7.392 1.00 23.24 C ATOM 427 NZ LYS A 30 25.441 -18.618 -6.788 1.00 44.33 N ATOM 0 H LYS A 30 21.866 -22.093 -9.448 1.00 11.32 H new ATOM 0 HA LYS A 30 19.981 -20.092 -9.026 1.00 50.30 H new ATOM 0 HB2 LYS A 30 21.742 -18.981 -7.802 1.00 54.24 H new ATOM 0 HB3 LYS A 30 21.890 -20.706 -7.533 1.00 54.24 H new ATOM 0 HG2 LYS A 30 24.058 -20.473 -8.085 1.00 34.45 H new ATOM 0 HG3 LYS A 30 23.517 -20.318 -9.745 1.00 34.45 H new ATOM 0 HD2 LYS A 30 24.865 -18.408 -9.398 1.00 1.22 H new ATOM 0 HD3 LYS A 30 23.226 -17.802 -9.266 1.00 1.22 H new ATOM 0 HE2 LYS A 30 24.456 -16.858 -7.436 1.00 23.24 H new ATOM 0 HE3 LYS A 30 23.394 -18.073 -6.754 1.00 23.24 H new ATOM 0 HZ1 LYS A 30 25.794 -18.061 -5.984 1.00 44.33 H new ATOM 0 HZ2 LYS A 30 25.158 -19.563 -6.458 1.00 44.33 H new ATOM 0 HZ3 LYS A 30 26.193 -18.711 -7.501 1.00 44.33 H new ATOM 441 N LYS A 31 22.010 -19.500 -11.509 1.00 74.50 N ATOM 442 CA LYS A 31 22.276 -18.608 -12.631 1.00 72.31 C ATOM 443 C LYS A 31 20.996 -18.313 -13.407 1.00 63.33 C ATOM 444 O LYS A 31 20.809 -17.210 -13.918 1.00 5.23 O ATOM 445 CB LYS A 31 23.320 -19.226 -13.564 1.00 72.20 C ATOM 446 CG LYS A 31 24.572 -19.699 -12.847 1.00 23.22 C ATOM 447 CD LYS A 31 25.666 -20.085 -13.829 1.00 55.33 C ATOM 448 CE LYS A 31 25.225 -21.225 -14.734 1.00 71.12 C ATOM 449 NZ LYS A 31 25.159 -20.807 -16.162 1.00 1.42 N ATOM 0 H LYS A 31 22.507 -20.390 -11.551 1.00 74.50 H new ATOM 0 HA LYS A 31 22.663 -17.670 -12.233 1.00 72.31 H new ATOM 0 HB2 LYS A 31 22.872 -20.069 -14.089 1.00 72.20 H new ATOM 0 HB3 LYS A 31 23.600 -18.492 -14.320 1.00 72.20 H new ATOM 0 HG2 LYS A 31 24.935 -18.910 -12.188 1.00 23.22 H new ATOM 0 HG3 LYS A 31 24.330 -20.554 -12.216 1.00 23.22 H new ATOM 0 HD2 LYS A 31 25.934 -19.220 -14.436 1.00 55.33 H new ATOM 0 HD3 LYS A 31 26.561 -20.379 -13.281 1.00 55.33 H new ATOM 0 HE2 LYS A 31 25.919 -22.059 -14.632 1.00 71.12 H new ATOM 0 HE3 LYS A 31 24.246 -21.584 -14.415 1.00 71.12 H new ATOM 0 HZ1 LYS A 31 24.855 -21.612 -16.746 1.00 1.42 H new ATOM 0 HZ2 LYS A 31 24.478 -20.028 -16.265 1.00 1.42 H new ATOM 0 HZ3 LYS A 31 26.099 -20.489 -16.474 1.00 1.42 H new ATOM 463 N ASN A 32 20.118 -19.307 -13.490 1.00 74.15 N ATOM 464 CA ASN A 32 18.855 -19.153 -14.204 1.00 32.13 C ATOM 465 C ASN A 32 17.864 -18.332 -13.385 1.00 1.55 C ATOM 466 O ASN A 32 17.050 -17.591 -13.937 1.00 73.52 O ATOM 467 CB ASN A 32 18.256 -20.524 -14.524 1.00 53.02 C ATOM 468 CG ASN A 32 18.637 -21.013 -15.908 1.00 45.41 C ATOM 469 OD1 ASN A 32 18.905 -20.216 -16.808 1.00 21.12 O ATOM 470 ND2 ASN A 32 18.664 -22.329 -16.084 1.00 51.43 N ATOM 0 H ASN A 32 20.257 -20.227 -13.072 1.00 74.15 H new ATOM 0 HA ASN A 32 19.055 -18.624 -15.136 1.00 32.13 H new ATOM 0 HB2 ASN A 32 18.593 -21.247 -13.781 1.00 53.02 H new ATOM 0 HB3 ASN A 32 17.170 -20.470 -14.447 1.00 53.02 H new ATOM 0 HD21 ASN A 32 18.914 -22.717 -16.994 1.00 51.43 H new ATOM 0 HD22 ASN A 32 18.435 -22.952 -15.310 1.00 51.43 H new ATOM 477 N ILE A 33 17.940 -18.467 -12.065 1.00 3.01 N ATOM 478 CA ILE A 33 17.052 -17.736 -11.170 1.00 33.20 C ATOM 479 C ILE A 33 17.327 -16.237 -11.225 1.00 60.32 C ATOM 480 O ILE A 33 16.414 -15.424 -11.088 1.00 42.32 O ATOM 481 CB ILE A 33 17.196 -18.220 -9.715 1.00 11.11 C ATOM 482 CG1 ILE A 33 16.952 -19.728 -9.629 1.00 51.03 C ATOM 483 CG2 ILE A 33 16.231 -17.469 -8.809 1.00 60.52 C ATOM 484 CD1 ILE A 33 15.584 -20.147 -10.120 1.00 32.55 C ATOM 0 H ILE A 33 18.608 -19.076 -11.592 1.00 3.01 H new ATOM 0 HA ILE A 33 16.034 -17.929 -11.509 1.00 33.20 H new ATOM 0 HB ILE A 33 18.213 -18.016 -9.379 1.00 11.11 H new ATOM 0 HG12 ILE A 33 17.713 -20.245 -10.213 1.00 51.03 H new ATOM 0 HG13 ILE A 33 17.072 -20.049 -8.594 1.00 51.03 H new ATOM 0 HG21 ILE A 33 16.345 -17.822 -7.784 1.00 60.52 H new ATOM 0 HG22 ILE A 33 16.448 -16.402 -8.851 1.00 60.52 H new ATOM 0 HG23 ILE A 33 15.208 -17.645 -9.142 1.00 60.52 H new ATOM 0 HD11 ILE A 33 15.481 -21.228 -10.030 1.00 32.55 H new ATOM 0 HD12 ILE A 33 14.817 -19.658 -9.520 1.00 32.55 H new ATOM 0 HD13 ILE A 33 15.468 -19.857 -11.164 1.00 32.55 H new ATOM 496 N GLU A 34 18.591 -15.880 -11.429 1.00 24.44 N ATOM 497 CA GLU A 34 18.986 -14.479 -11.503 1.00 42.31 C ATOM 498 C GLU A 34 18.352 -13.798 -12.713 1.00 33.34 C ATOM 499 O GLU A 34 18.084 -12.597 -12.693 1.00 1.31 O ATOM 500 CB GLU A 34 20.510 -14.358 -11.577 1.00 72.24 C ATOM 501 CG GLU A 34 21.047 -14.300 -12.997 1.00 62.44 C ATOM 502 CD GLU A 34 21.026 -12.897 -13.572 1.00 65.43 C ATOM 503 OE1 GLU A 34 21.429 -11.956 -12.857 1.00 34.42 O ATOM 504 OE2 GLU A 34 20.608 -12.741 -14.739 1.00 30.04 O ATOM 0 H GLU A 34 19.358 -16.542 -11.546 1.00 24.44 H new ATOM 0 HA GLU A 34 18.633 -13.981 -10.600 1.00 42.31 H new ATOM 0 HB2 GLU A 34 20.821 -13.460 -11.043 1.00 72.24 H new ATOM 0 HB3 GLU A 34 20.959 -15.207 -11.062 1.00 72.24 H new ATOM 0 HG2 GLU A 34 22.069 -14.679 -13.011 1.00 62.44 H new ATOM 0 HG3 GLU A 34 20.454 -14.958 -13.633 1.00 62.44 H new ATOM 511 N ASP A 35 18.114 -14.575 -13.764 1.00 24.02 N ATOM 512 CA ASP A 35 17.511 -14.049 -14.983 1.00 0.23 C ATOM 513 C ASP A 35 16.192 -13.345 -14.676 1.00 65.34 C ATOM 514 O ASP A 35 15.972 -12.208 -15.094 1.00 53.22 O ATOM 515 CB ASP A 35 17.280 -15.176 -15.991 1.00 0.24 C ATOM 516 CG ASP A 35 16.876 -14.657 -17.356 1.00 75.15 C ATOM 517 OD1 ASP A 35 15.846 -13.955 -17.444 1.00 4.41 O ATOM 518 OD2 ASP A 35 17.588 -14.953 -18.338 1.00 4.21 O ATOM 0 H ASP A 35 18.330 -15.571 -13.796 1.00 24.02 H new ATOM 0 HA ASP A 35 18.199 -13.322 -15.415 1.00 0.23 H new ATOM 0 HB2 ASP A 35 18.191 -15.768 -16.085 1.00 0.24 H new ATOM 0 HB3 ASP A 35 16.504 -15.843 -15.615 1.00 0.24 H new ATOM 523 N LEU A 36 15.319 -14.029 -13.946 1.00 31.21 N ATOM 524 CA LEU A 36 14.021 -13.471 -13.584 1.00 53.41 C ATOM 525 C LEU A 36 14.186 -12.204 -12.750 1.00 61.31 C ATOM 526 O LEU A 36 13.635 -11.154 -13.081 1.00 14.32 O ATOM 527 CB LEU A 36 13.198 -14.501 -12.809 1.00 71.42 C ATOM 528 CG LEU A 36 11.778 -14.747 -13.319 1.00 74.24 C ATOM 529 CD1 LEU A 36 11.355 -16.184 -13.052 1.00 45.41 C ATOM 530 CD2 LEU A 36 10.803 -13.774 -12.673 1.00 12.21 C ATOM 0 H LEU A 36 15.486 -14.971 -13.593 1.00 31.21 H new ATOM 0 HA LEU A 36 13.496 -13.213 -14.504 1.00 53.41 H new ATOM 0 HB2 LEU A 36 13.736 -15.449 -12.820 1.00 71.42 H new ATOM 0 HB3 LEU A 36 13.139 -14.181 -11.769 1.00 71.42 H new ATOM 0 HG LEU A 36 11.766 -14.581 -14.396 1.00 74.24 H new ATOM 0 HD11 LEU A 36 10.342 -16.340 -13.422 1.00 45.41 H new ATOM 0 HD12 LEU A 36 12.036 -16.865 -13.563 1.00 45.41 H new ATOM 0 HD13 LEU A 36 11.384 -16.378 -11.980 1.00 45.41 H new ATOM 0 HD21 LEU A 36 9.797 -13.964 -13.048 1.00 12.21 H new ATOM 0 HD22 LEU A 36 10.818 -13.908 -11.591 1.00 12.21 H new ATOM 0 HD23 LEU A 36 11.094 -12.752 -12.916 1.00 12.21 H new ATOM 542 N LEU A 37 14.950 -12.310 -11.669 1.00 23.14 N ATOM 543 CA LEU A 37 15.191 -11.173 -10.788 1.00 0.44 C ATOM 544 C LEU A 37 15.758 -9.990 -11.567 1.00 60.41 C ATOM 545 O LEU A 37 15.475 -8.834 -11.255 1.00 53.43 O ATOM 546 CB LEU A 37 16.153 -11.566 -9.665 1.00 73.30 C ATOM 547 CG LEU A 37 16.720 -10.416 -8.833 1.00 11.22 C ATOM 548 CD1 LEU A 37 15.602 -9.672 -8.119 1.00 42.40 C ATOM 549 CD2 LEU A 37 17.742 -10.935 -7.832 1.00 13.13 C ATOM 0 H LEU A 37 15.413 -13.172 -11.381 1.00 23.14 H new ATOM 0 HA LEU A 37 14.237 -10.875 -10.353 1.00 0.44 H new ATOM 0 HB2 LEU A 37 15.636 -12.252 -8.994 1.00 73.30 H new ATOM 0 HB3 LEU A 37 16.986 -12.116 -10.103 1.00 73.30 H new ATOM 0 HG LEU A 37 17.221 -9.719 -9.505 1.00 11.22 H new ATOM 0 HD11 LEU A 37 16.025 -8.857 -7.532 1.00 42.40 H new ATOM 0 HD12 LEU A 37 14.907 -9.267 -8.854 1.00 42.40 H new ATOM 0 HD13 LEU A 37 15.072 -10.358 -7.458 1.00 42.40 H new ATOM 0 HD21 LEU A 37 18.135 -10.102 -7.248 1.00 13.13 H new ATOM 0 HD22 LEU A 37 17.265 -11.653 -7.165 1.00 13.13 H new ATOM 0 HD23 LEU A 37 18.559 -11.422 -8.365 1.00 13.13 H new ATOM 561 N LYS A 38 16.559 -10.289 -12.584 1.00 41.24 N ATOM 562 CA LYS A 38 17.164 -9.252 -13.412 1.00 51.02 C ATOM 563 C LYS A 38 16.095 -8.452 -14.150 1.00 12.04 C ATOM 564 O LYS A 38 16.233 -7.244 -14.342 1.00 24.53 O ATOM 565 CB LYS A 38 18.134 -9.875 -14.418 1.00 62.22 C ATOM 566 CG LYS A 38 19.591 -9.548 -14.141 1.00 42.30 C ATOM 567 CD LYS A 38 20.476 -9.896 -15.326 1.00 42.31 C ATOM 568 CE LYS A 38 21.098 -8.652 -15.942 1.00 3.45 C ATOM 569 NZ LYS A 38 22.124 -8.045 -15.049 1.00 12.44 N ATOM 0 H LYS A 38 16.804 -11.241 -12.855 1.00 41.24 H new ATOM 0 HA LYS A 38 17.713 -8.575 -12.758 1.00 51.02 H new ATOM 0 HB2 LYS A 38 18.006 -10.957 -14.411 1.00 62.22 H new ATOM 0 HB3 LYS A 38 17.877 -9.530 -15.419 1.00 62.22 H new ATOM 0 HG2 LYS A 38 19.689 -8.487 -13.912 1.00 42.30 H new ATOM 0 HG3 LYS A 38 19.927 -10.097 -13.261 1.00 42.30 H new ATOM 0 HD2 LYS A 38 21.264 -10.577 -15.005 1.00 42.31 H new ATOM 0 HD3 LYS A 38 19.888 -10.421 -16.079 1.00 42.31 H new ATOM 0 HE2 LYS A 38 21.555 -8.909 -16.898 1.00 3.45 H new ATOM 0 HE3 LYS A 38 20.317 -7.920 -16.149 1.00 3.45 H new ATOM 0 HZ1 LYS A 38 22.596 -7.262 -15.544 1.00 12.44 H new ATOM 0 HZ2 LYS A 38 21.665 -7.684 -14.188 1.00 12.44 H new ATOM 0 HZ3 LYS A 38 22.828 -8.765 -14.790 1.00 12.44 H new ATOM 583 N GLU A 39 15.029 -9.133 -14.559 1.00 21.23 N ATOM 584 CA GLU A 39 13.937 -8.484 -15.274 1.00 72.12 C ATOM 585 C GLU A 39 13.063 -7.678 -14.318 1.00 2.43 C ATOM 586 O GLU A 39 12.670 -6.550 -14.619 1.00 74.02 O ATOM 587 CB GLU A 39 13.086 -9.525 -16.004 1.00 60.44 C ATOM 588 CG GLU A 39 13.822 -10.231 -17.131 1.00 30.10 C ATOM 589 CD GLU A 39 13.277 -11.620 -17.404 1.00 2.41 C ATOM 590 OE1 GLU A 39 12.758 -12.250 -16.459 1.00 60.15 O ATOM 591 OE2 GLU A 39 13.370 -12.075 -18.563 1.00 60.40 O ATOM 0 H GLU A 39 14.899 -10.133 -14.407 1.00 21.23 H new ATOM 0 HA GLU A 39 14.371 -7.802 -16.005 1.00 72.12 H new ATOM 0 HB2 GLU A 39 12.741 -10.268 -15.285 1.00 60.44 H new ATOM 0 HB3 GLU A 39 12.199 -9.038 -16.410 1.00 60.44 H new ATOM 0 HG2 GLU A 39 13.750 -9.632 -18.039 1.00 30.10 H new ATOM 0 HG3 GLU A 39 14.880 -10.303 -16.880 1.00 30.10 H new ATOM 598 N LEU A 40 12.763 -8.263 -13.164 1.00 30.32 N ATOM 599 CA LEU A 40 11.935 -7.601 -12.162 1.00 3.41 C ATOM 600 C LEU A 40 12.669 -6.412 -11.549 1.00 52.34 C ATOM 601 O LEU A 40 12.053 -5.411 -11.181 1.00 63.10 O ATOM 602 CB LEU A 40 11.538 -8.590 -11.065 1.00 10.33 C ATOM 603 CG LEU A 40 10.931 -9.911 -11.539 1.00 45.43 C ATOM 604 CD1 LEU A 40 10.471 -10.743 -10.353 1.00 70.30 C ATOM 605 CD2 LEU A 40 9.775 -9.654 -12.494 1.00 52.22 C ATOM 0 H LEU A 40 13.081 -9.195 -12.899 1.00 30.32 H new ATOM 0 HA LEU A 40 11.035 -7.234 -12.655 1.00 3.41 H new ATOM 0 HB2 LEU A 40 12.422 -8.813 -10.468 1.00 10.33 H new ATOM 0 HB3 LEU A 40 10.822 -8.101 -10.404 1.00 10.33 H new ATOM 0 HG LEU A 40 11.699 -10.471 -12.073 1.00 45.43 H new ATOM 0 HD11 LEU A 40 10.042 -11.679 -10.710 1.00 70.30 H new ATOM 0 HD12 LEU A 40 11.322 -10.957 -9.707 1.00 70.30 H new ATOM 0 HD13 LEU A 40 9.719 -10.190 -9.791 1.00 70.30 H new ATOM 0 HD21 LEU A 40 9.355 -10.605 -12.821 1.00 52.22 H new ATOM 0 HD22 LEU A 40 9.005 -9.073 -11.986 1.00 52.22 H new ATOM 0 HD23 LEU A 40 10.135 -9.099 -13.360 1.00 52.22 H new ATOM 617 N LYS A 41 13.988 -6.527 -11.445 1.00 64.22 N ATOM 618 CA LYS A 41 14.808 -5.461 -10.881 1.00 70.40 C ATOM 619 C LYS A 41 14.561 -4.143 -11.607 1.00 12.21 C ATOM 620 O LYS A 41 14.502 -3.081 -10.986 1.00 31.15 O ATOM 621 CB LYS A 41 16.291 -5.832 -10.964 1.00 55.44 C ATOM 622 CG LYS A 41 16.786 -6.630 -9.771 1.00 60.43 C ATOM 623 CD LYS A 41 17.985 -5.967 -9.115 1.00 41.21 C ATOM 624 CE LYS A 41 18.976 -6.996 -8.594 1.00 61.31 C ATOM 625 NZ LYS A 41 20.374 -6.485 -8.624 1.00 65.24 N ATOM 0 H LYS A 41 14.513 -7.349 -11.744 1.00 64.22 H new ATOM 0 HA LYS A 41 14.529 -5.337 -9.835 1.00 70.40 H new ATOM 0 HB2 LYS A 41 16.462 -6.409 -11.873 1.00 55.44 H new ATOM 0 HB3 LYS A 41 16.881 -4.919 -11.050 1.00 55.44 H new ATOM 0 HG2 LYS A 41 15.982 -6.733 -9.042 1.00 60.43 H new ATOM 0 HG3 LYS A 41 17.056 -7.636 -10.092 1.00 60.43 H new ATOM 0 HD2 LYS A 41 18.480 -5.315 -9.835 1.00 41.21 H new ATOM 0 HD3 LYS A 41 17.648 -5.336 -8.293 1.00 41.21 H new ATOM 0 HE2 LYS A 41 18.712 -7.270 -7.573 1.00 61.31 H new ATOM 0 HE3 LYS A 41 18.908 -7.903 -9.195 1.00 61.31 H new ATOM 0 HZ1 LYS A 41 21.019 -7.216 -8.261 1.00 65.24 H new ATOM 0 HZ2 LYS A 41 20.636 -6.247 -9.602 1.00 65.24 H new ATOM 0 HZ3 LYS A 41 20.446 -5.634 -8.030 1.00 65.24 H new ATOM 639 N THR A 42 14.415 -4.217 -12.926 1.00 43.23 N ATOM 640 CA THR A 42 14.174 -3.030 -13.736 1.00 41.44 C ATOM 641 C THR A 42 12.704 -2.630 -13.702 1.00 14.45 C ATOM 642 O THR A 42 12.367 -1.453 -13.834 1.00 25.21 O ATOM 643 CB THR A 42 14.599 -3.252 -15.200 1.00 62.41 C ATOM 644 OG1 THR A 42 14.120 -4.520 -15.662 1.00 74.00 O ATOM 645 CG2 THR A 42 16.113 -3.196 -15.338 1.00 61.25 C ATOM 0 H THR A 42 14.460 -5.087 -13.456 1.00 43.23 H new ATOM 0 HA THR A 42 14.776 -2.229 -13.308 1.00 41.44 H new ATOM 0 HB THR A 42 14.165 -2.457 -15.806 1.00 62.41 H new ATOM 0 HG1 THR A 42 13.490 -4.889 -15.009 1.00 74.00 H new ATOM 0 HG21 THR A 42 16.389 -3.355 -16.380 1.00 61.25 H new ATOM 0 HG22 THR A 42 16.472 -2.220 -15.013 1.00 61.25 H new ATOM 0 HG23 THR A 42 16.564 -3.973 -14.720 1.00 61.25 H new ATOM 653 N MET A 43 11.831 -3.616 -13.522 1.00 0.21 N ATOM 654 CA MET A 43 10.395 -3.365 -13.468 1.00 24.14 C ATOM 655 C MET A 43 10.026 -2.588 -12.208 1.00 24.54 C ATOM 656 O MET A 43 9.422 -1.519 -12.281 1.00 63.42 O ATOM 657 CB MET A 43 9.623 -4.685 -13.512 1.00 25.25 C ATOM 658 CG MET A 43 9.703 -5.391 -14.855 1.00 64.52 C ATOM 659 SD MET A 43 9.120 -7.096 -14.780 1.00 0.13 S ATOM 660 CE MET A 43 9.222 -7.565 -16.505 1.00 71.32 C ATOM 0 H MET A 43 12.093 -4.596 -13.411 1.00 0.21 H new ATOM 0 HA MET A 43 10.123 -2.765 -14.336 1.00 24.14 H new ATOM 0 HB2 MET A 43 10.010 -5.348 -12.738 1.00 25.25 H new ATOM 0 HB3 MET A 43 8.577 -4.493 -13.274 1.00 25.25 H new ATOM 0 HG2 MET A 43 9.111 -4.841 -15.586 1.00 64.52 H new ATOM 0 HG3 MET A 43 10.735 -5.379 -15.206 1.00 64.52 H new ATOM 0 HE1 MET A 43 8.383 -8.214 -16.756 1.00 71.32 H new ATOM 0 HE2 MET A 43 9.188 -6.671 -17.128 1.00 71.32 H new ATOM 0 HE3 MET A 43 10.157 -8.096 -16.683 1.00 71.32 H new ATOM 670 N ASN A 44 10.394 -3.134 -11.053 1.00 32.03 N ATOM 671 CA ASN A 44 10.100 -2.492 -9.777 1.00 22.15 C ATOM 672 C ASN A 44 10.668 -1.077 -9.736 1.00 41.42 C ATOM 673 O ASN A 44 10.020 -0.150 -9.251 1.00 34.34 O ATOM 674 CB ASN A 44 10.674 -3.317 -8.623 1.00 23.01 C ATOM 675 CG ASN A 44 9.849 -3.193 -7.357 1.00 1.13 C ATOM 676 OD1 ASN A 44 8.759 -3.757 -7.255 1.00 5.22 O ATOM 677 ND2 ASN A 44 10.366 -2.452 -6.384 1.00 4.41 N ATOM 0 H ASN A 44 10.896 -4.019 -10.975 1.00 32.03 H new ATOM 0 HA ASN A 44 9.017 -2.433 -9.670 1.00 22.15 H new ATOM 0 HB2 ASN A 44 10.725 -4.365 -8.919 1.00 23.01 H new ATOM 0 HB3 ASN A 44 11.695 -2.993 -8.421 1.00 23.01 H new ATOM 0 HD21 ASN A 44 9.856 -2.332 -5.509 1.00 4.41 H new ATOM 0 HD22 ASN A 44 11.273 -2.003 -6.512 1.00 4.41 H new ATOM 684 N ALA A 45 11.883 -0.918 -10.251 1.00 2.45 N ATOM 685 CA ALA A 45 12.538 0.385 -10.276 1.00 35.41 C ATOM 686 C ALA A 45 11.873 1.314 -11.286 1.00 74.51 C ATOM 687 O ALA A 45 11.912 2.535 -11.140 1.00 63.23 O ATOM 688 CB ALA A 45 14.017 0.226 -10.596 1.00 34.13 C ATOM 0 H ALA A 45 12.434 -1.675 -10.656 1.00 2.45 H new ATOM 0 HA ALA A 45 12.438 0.834 -9.288 1.00 35.41 H new ATOM 0 HB1 ALA A 45 14.493 1.206 -10.611 1.00 34.13 H new ATOM 0 HB2 ALA A 45 14.489 -0.395 -9.835 1.00 34.13 H new ATOM 0 HB3 ALA A 45 14.129 -0.247 -11.571 1.00 34.13 H new ATOM 694 N ALA A 46 11.263 0.727 -12.311 1.00 33.54 N ATOM 695 CA ALA A 46 10.588 1.502 -13.344 1.00 61.02 C ATOM 696 C ALA A 46 9.455 2.335 -12.754 1.00 44.12 C ATOM 697 O ALA A 46 9.347 3.533 -13.021 1.00 64.34 O ATOM 698 CB ALA A 46 10.057 0.581 -14.433 1.00 10.13 C ATOM 0 H ALA A 46 11.223 -0.283 -12.448 1.00 33.54 H new ATOM 0 HA ALA A 46 11.315 2.185 -13.784 1.00 61.02 H new ATOM 0 HB1 ALA A 46 9.555 1.174 -15.198 1.00 10.13 H new ATOM 0 HB2 ALA A 46 10.886 0.034 -14.883 1.00 10.13 H new ATOM 0 HB3 ALA A 46 9.349 -0.125 -13.999 1.00 10.13 H new ATOM 704 N LEU A 47 8.613 1.695 -11.952 1.00 35.35 N ATOM 705 CA LEU A 47 7.486 2.377 -11.324 1.00 3.04 C ATOM 706 C LEU A 47 7.960 3.585 -10.521 1.00 70.24 C ATOM 707 O LEU A 47 7.209 4.538 -10.315 1.00 53.40 O ATOM 708 CB LEU A 47 6.724 1.413 -10.413 1.00 71.11 C ATOM 709 CG LEU A 47 7.320 1.189 -9.023 1.00 44.00 C ATOM 710 CD1 LEU A 47 6.644 2.089 -8.001 1.00 2.33 C ATOM 711 CD2 LEU A 47 7.193 -0.272 -8.617 1.00 12.01 C ATOM 0 H LEU A 47 8.688 0.704 -11.720 1.00 35.35 H new ATOM 0 HA LEU A 47 6.819 2.726 -12.112 1.00 3.04 H new ATOM 0 HB2 LEU A 47 5.706 1.785 -10.294 1.00 71.11 H new ATOM 0 HB3 LEU A 47 6.654 0.448 -10.916 1.00 71.11 H new ATOM 0 HG LEU A 47 8.379 1.445 -9.057 1.00 44.00 H new ATOM 0 HD11 LEU A 47 7.081 1.916 -7.018 1.00 2.33 H new ATOM 0 HD12 LEU A 47 6.788 3.132 -8.283 1.00 2.33 H new ATOM 0 HD13 LEU A 47 5.578 1.866 -7.968 1.00 2.33 H new ATOM 0 HD21 LEU A 47 7.622 -0.413 -7.625 1.00 12.01 H new ATOM 0 HD22 LEU A 47 6.140 -0.555 -8.600 1.00 12.01 H new ATOM 0 HD23 LEU A 47 7.725 -0.897 -9.335 1.00 12.01 H new ATOM 723 N ILE A 48 9.210 3.538 -10.074 1.00 21.12 N ATOM 724 CA ILE A 48 9.784 4.630 -9.298 1.00 25.25 C ATOM 725 C ILE A 48 10.117 5.822 -10.188 1.00 54.12 C ATOM 726 O ILE A 48 9.813 6.967 -9.851 1.00 71.23 O ATOM 727 CB ILE A 48 11.060 4.185 -8.558 1.00 60.41 C ATOM 728 CG1 ILE A 48 10.764 2.977 -7.667 1.00 33.15 C ATOM 729 CG2 ILE A 48 11.623 5.333 -7.734 1.00 35.01 C ATOM 730 CD1 ILE A 48 12.007 2.287 -7.151 1.00 2.13 C ATOM 0 H ILE A 48 9.844 2.756 -10.236 1.00 21.12 H new ATOM 0 HA ILE A 48 9.032 4.925 -8.566 1.00 25.25 H new ATOM 0 HB ILE A 48 11.807 3.894 -9.296 1.00 60.41 H new ATOM 0 HG12 ILE A 48 10.160 3.300 -6.820 1.00 33.15 H new ATOM 0 HG13 ILE A 48 10.167 2.259 -8.229 1.00 33.15 H new ATOM 0 HG21 ILE A 48 12.524 5.002 -7.217 1.00 35.01 H new ATOM 0 HG22 ILE A 48 11.867 6.167 -8.392 1.00 35.01 H new ATOM 0 HG23 ILE A 48 10.882 5.653 -7.002 1.00 35.01 H new ATOM 0 HD11 ILE A 48 11.721 1.440 -6.527 1.00 2.13 H new ATOM 0 HD12 ILE A 48 12.602 1.933 -7.992 1.00 2.13 H new ATOM 0 HD13 ILE A 48 12.595 2.990 -6.561 1.00 2.13 H new ATOM 742 N LYS A 49 10.741 5.546 -11.328 1.00 51.32 N ATOM 743 CA LYS A 49 11.112 6.595 -12.271 1.00 23.22 C ATOM 744 C LYS A 49 9.885 7.126 -13.005 1.00 64.11 C ATOM 745 O LYS A 49 9.657 8.335 -13.058 1.00 21.24 O ATOM 746 CB LYS A 49 12.133 6.064 -13.280 1.00 24.05 C ATOM 747 CG LYS A 49 13.574 6.214 -12.823 1.00 22.34 C ATOM 748 CD LYS A 49 13.994 5.067 -11.918 1.00 2.52 C ATOM 749 CE LYS A 49 15.483 5.118 -11.609 1.00 72.44 C ATOM 750 NZ LYS A 49 15.906 3.989 -10.736 1.00 25.44 N ATOM 0 H LYS A 49 11.001 4.604 -11.622 1.00 51.32 H new ATOM 0 HA LYS A 49 11.559 7.414 -11.708 1.00 23.22 H new ATOM 0 HB2 LYS A 49 11.929 5.010 -13.471 1.00 24.05 H new ATOM 0 HB3 LYS A 49 12.004 6.590 -14.226 1.00 24.05 H new ATOM 0 HG2 LYS A 49 14.230 6.252 -13.692 1.00 22.34 H new ATOM 0 HG3 LYS A 49 13.692 7.159 -12.293 1.00 22.34 H new ATOM 0 HD2 LYS A 49 13.427 5.109 -10.988 1.00 2.52 H new ATOM 0 HD3 LYS A 49 13.753 4.118 -12.396 1.00 2.52 H new ATOM 0 HE2 LYS A 49 16.049 5.089 -12.540 1.00 72.44 H new ATOM 0 HE3 LYS A 49 15.721 6.063 -11.121 1.00 72.44 H new ATOM 0 HZ1 LYS A 49 16.927 4.059 -10.548 1.00 25.44 H new ATOM 0 HZ2 LYS A 49 15.385 4.031 -9.837 1.00 25.44 H new ATOM 0 HZ3 LYS A 49 15.703 3.087 -11.212 1.00 25.44 H new ATOM 764 N ILE A 50 9.099 6.215 -13.569 1.00 51.51 N ATOM 765 CA ILE A 50 7.894 6.593 -14.298 1.00 3.24 C ATOM 766 C ILE A 50 6.819 7.114 -13.350 1.00 4.42 C ATOM 767 O ILE A 50 5.958 7.900 -13.743 1.00 71.31 O ATOM 768 CB ILE A 50 7.325 5.407 -15.098 1.00 64.04 C ATOM 769 CG1 ILE A 50 6.797 4.329 -14.149 1.00 44.24 C ATOM 770 CG2 ILE A 50 8.389 4.832 -16.022 1.00 4.43 C ATOM 771 CD1 ILE A 50 5.292 4.337 -14.003 1.00 51.44 C ATOM 0 H ILE A 50 9.275 5.211 -13.535 1.00 51.51 H new ATOM 0 HA ILE A 50 8.180 7.385 -14.991 1.00 3.24 H new ATOM 0 HB ILE A 50 6.496 5.764 -15.708 1.00 64.04 H new ATOM 0 HG12 ILE A 50 7.114 3.351 -14.511 1.00 44.24 H new ATOM 0 HG13 ILE A 50 7.250 4.467 -13.167 1.00 44.24 H new ATOM 0 HG21 ILE A 50 7.972 3.994 -16.581 1.00 4.43 H new ATOM 0 HG22 ILE A 50 8.722 5.602 -16.718 1.00 4.43 H new ATOM 0 HG23 ILE A 50 9.237 4.487 -15.430 1.00 4.43 H new ATOM 0 HD11 ILE A 50 4.989 3.547 -13.316 1.00 51.44 H new ATOM 0 HD12 ILE A 50 4.970 5.302 -13.611 1.00 51.44 H new ATOM 0 HD13 ILE A 50 4.831 4.168 -14.976 1.00 51.44 H new ATOM 783 N GLY A 51 6.878 6.672 -12.097 1.00 54.50 N ATOM 784 CA GLY A 51 5.905 7.106 -11.112 1.00 14.15 C ATOM 785 C GLY A 51 6.063 8.568 -10.744 1.00 43.13 C ATOM 786 O GLY A 51 5.162 9.169 -10.162 1.00 14.15 O ATOM 0 H GLY A 51 7.582 6.022 -11.747 1.00 54.50 H new ATOM 0 HA2 GLY A 51 4.900 6.939 -11.501 1.00 14.15 H new ATOM 0 HA3 GLY A 51 6.005 6.496 -10.214 1.00 14.15 H new ATOM 790 N GLU A 52 7.214 9.141 -11.085 1.00 32.34 N ATOM 791 CA GLU A 52 7.488 10.541 -10.784 1.00 54.10 C ATOM 792 C GLU A 52 6.463 11.452 -11.454 1.00 33.20 C ATOM 793 O GLU A 52 6.168 12.541 -10.962 1.00 43.31 O ATOM 794 CB GLU A 52 8.898 10.918 -11.243 1.00 31.13 C ATOM 795 CG GLU A 52 9.301 12.334 -10.869 1.00 4.31 C ATOM 796 CD GLU A 52 9.803 12.441 -9.442 1.00 31.42 C ATOM 797 OE1 GLU A 52 10.621 11.590 -9.035 1.00 23.20 O ATOM 798 OE2 GLU A 52 9.377 13.376 -8.732 1.00 34.40 O ATOM 0 H GLU A 52 7.970 8.657 -11.569 1.00 32.34 H new ATOM 0 HA GLU A 52 7.417 10.675 -9.705 1.00 54.10 H new ATOM 0 HB2 GLU A 52 9.612 10.219 -10.807 1.00 31.13 H new ATOM 0 HB3 GLU A 52 8.961 10.805 -12.325 1.00 31.13 H new ATOM 0 HG2 GLU A 52 10.079 12.678 -11.550 1.00 4.31 H new ATOM 0 HG3 GLU A 52 8.446 12.997 -11.000 1.00 4.31 H new ATOM 805 N VAL A 53 5.923 10.997 -12.580 1.00 53.34 N ATOM 806 CA VAL A 53 4.930 11.770 -13.319 1.00 25.55 C ATOM 807 C VAL A 53 3.651 11.939 -12.507 1.00 71.41 C ATOM 808 O VAL A 53 3.311 11.114 -11.659 1.00 33.22 O ATOM 809 CB VAL A 53 4.588 11.103 -14.664 1.00 73.20 C ATOM 810 CG1 VAL A 53 5.846 10.894 -15.493 1.00 1.43 C ATOM 811 CG2 VAL A 53 3.865 9.784 -14.436 1.00 22.33 C ATOM 0 H VAL A 53 6.156 10.098 -13.001 1.00 53.34 H new ATOM 0 HA VAL A 53 5.368 12.750 -13.509 1.00 25.55 H new ATOM 0 HB VAL A 53 3.923 11.765 -15.218 1.00 73.20 H new ATOM 0 HG11 VAL A 53 5.584 10.422 -16.440 1.00 1.43 H new ATOM 0 HG12 VAL A 53 6.318 11.857 -15.687 1.00 1.43 H new ATOM 0 HG13 VAL A 53 6.539 10.253 -14.948 1.00 1.43 H new ATOM 0 HG21 VAL A 53 3.631 9.326 -15.397 1.00 22.33 H new ATOM 0 HG22 VAL A 53 4.504 9.114 -13.861 1.00 22.33 H new ATOM 0 HG23 VAL A 53 2.941 9.966 -13.886 1.00 22.33 H new ATOM 821 N PRO A 54 2.923 13.033 -12.772 1.00 53.41 N ATOM 822 CA PRO A 54 1.668 13.337 -12.078 1.00 33.53 C ATOM 823 C PRO A 54 0.546 12.378 -12.462 1.00 61.34 C ATOM 824 O PRO A 54 0.653 11.612 -13.421 1.00 12.04 O ATOM 825 CB PRO A 54 1.339 14.758 -12.543 1.00 24.55 C ATOM 826 CG PRO A 54 2.018 14.891 -13.862 1.00 25.12 C ATOM 827 CD PRO A 54 3.268 14.059 -13.770 1.00 50.43 C ATOM 0 HA PRO A 54 1.767 13.240 -10.997 1.00 33.53 H new ATOM 0 HB2 PRO A 54 0.263 14.905 -12.635 1.00 24.55 H new ATOM 0 HB3 PRO A 54 1.703 15.501 -11.833 1.00 24.55 H new ATOM 0 HG2 PRO A 54 1.375 14.541 -14.669 1.00 25.12 H new ATOM 0 HG3 PRO A 54 2.257 15.933 -14.074 1.00 25.12 H new ATOM 0 HD2 PRO A 54 3.526 13.614 -14.731 1.00 50.43 H new ATOM 0 HD3 PRO A 54 4.125 14.655 -13.454 1.00 50.43 H new ATOM 835 N PRO A 55 -0.556 12.419 -11.699 1.00 73.25 N ATOM 836 CA PRO A 55 -1.720 11.560 -11.942 1.00 45.44 C ATOM 837 C PRO A 55 -2.467 11.944 -13.215 1.00 31.30 C ATOM 838 O PRO A 55 -3.371 11.232 -13.653 1.00 50.14 O ATOM 839 CB PRO A 55 -2.599 11.799 -10.713 1.00 14.11 C ATOM 840 CG PRO A 55 -2.216 13.155 -10.230 1.00 4.12 C ATOM 841 CD PRO A 55 -0.752 13.307 -10.541 1.00 73.23 C ATOM 0 HA PRO A 55 -1.436 10.517 -12.083 1.00 45.44 H new ATOM 0 HB2 PRO A 55 -3.658 11.755 -10.969 1.00 14.11 H new ATOM 0 HB3 PRO A 55 -2.424 11.042 -9.948 1.00 14.11 H new ATOM 0 HG2 PRO A 55 -2.803 13.927 -10.728 1.00 4.12 H new ATOM 0 HG3 PRO A 55 -2.400 13.255 -9.160 1.00 4.12 H new ATOM 0 HD2 PRO A 55 -0.497 14.340 -10.779 1.00 73.23 H new ATOM 0 HD3 PRO A 55 -0.129 13.011 -9.697 1.00 73.23 H new ATOM 849 N ASP A 56 -2.084 13.071 -13.804 1.00 12.45 N ATOM 850 CA ASP A 56 -2.718 13.548 -15.027 1.00 44.44 C ATOM 851 C ASP A 56 -2.401 12.624 -16.199 1.00 43.31 C ATOM 852 O ASP A 56 -3.183 12.512 -17.142 1.00 55.51 O ATOM 853 CB ASP A 56 -2.256 14.972 -15.345 1.00 22.52 C ATOM 854 CG ASP A 56 -3.361 15.818 -15.945 1.00 43.41 C ATOM 855 OD1 ASP A 56 -4.280 15.243 -16.564 1.00 34.22 O ATOM 856 OD2 ASP A 56 -3.306 17.057 -15.795 1.00 72.24 O ATOM 0 H ASP A 56 -1.337 13.671 -13.454 1.00 12.45 H new ATOM 0 HA ASP A 56 -3.797 13.551 -14.871 1.00 44.44 H new ATOM 0 HB2 ASP A 56 -1.894 15.446 -14.432 1.00 22.52 H new ATOM 0 HB3 ASP A 56 -1.416 14.932 -16.038 1.00 22.52 H new ATOM 861 N GLN A 57 -1.248 11.966 -16.132 1.00 32.10 N ATOM 862 CA GLN A 57 -0.828 11.053 -17.189 1.00 3.25 C ATOM 863 C GLN A 57 -1.446 9.673 -16.994 1.00 33.14 C ATOM 864 O GLN A 57 -1.627 8.921 -17.952 1.00 71.13 O ATOM 865 CB GLN A 57 0.698 10.942 -17.218 1.00 54.03 C ATOM 866 CG GLN A 57 1.407 12.284 -17.136 1.00 22.15 C ATOM 867 CD GLN A 57 1.142 13.160 -18.344 1.00 71.20 C ATOM 868 OE1 GLN A 57 0.677 12.684 -19.380 1.00 70.11 O ATOM 869 NE2 GLN A 57 1.437 14.448 -18.218 1.00 14.43 N ATOM 0 H GLN A 57 -0.589 12.048 -15.358 1.00 32.10 H new ATOM 0 HA GLN A 57 -1.175 11.455 -18.141 1.00 3.25 H new ATOM 0 HB2 GLN A 57 1.024 10.317 -16.387 1.00 54.03 H new ATOM 0 HB3 GLN A 57 1.000 10.436 -18.135 1.00 54.03 H new ATOM 0 HG2 GLN A 57 1.084 12.806 -16.236 1.00 22.15 H new ATOM 0 HG3 GLN A 57 2.480 12.118 -17.041 1.00 22.15 H new ATOM 0 HE21 GLN A 57 1.821 14.800 -17.341 1.00 14.43 H new ATOM 0 HE22 GLN A 57 1.280 15.086 -18.998 1.00 14.43 H new ATOM 878 N LEU A 58 -1.769 9.345 -15.747 1.00 44.32 N ATOM 879 CA LEU A 58 -2.367 8.054 -15.426 1.00 12.31 C ATOM 880 C LEU A 58 -3.585 7.785 -16.303 1.00 55.44 C ATOM 881 O LEU A 58 -4.618 8.443 -16.168 1.00 65.04 O ATOM 882 CB LEU A 58 -2.767 8.009 -13.950 1.00 73.32 C ATOM 883 CG LEU A 58 -2.634 6.651 -13.260 1.00 60.43 C ATOM 884 CD1 LEU A 58 -3.563 5.632 -13.902 1.00 55.31 C ATOM 885 CD2 LEU A 58 -1.192 6.166 -13.311 1.00 34.10 C ATOM 0 H LEU A 58 -1.627 9.955 -14.942 1.00 44.32 H new ATOM 0 HA LEU A 58 -1.625 7.279 -15.619 1.00 12.31 H new ATOM 0 HB2 LEU A 58 -2.158 8.731 -13.407 1.00 73.32 H new ATOM 0 HB3 LEU A 58 -3.803 8.338 -13.865 1.00 73.32 H new ATOM 0 HG LEU A 58 -2.922 6.767 -12.215 1.00 60.43 H new ATOM 0 HD11 LEU A 58 -3.454 4.672 -13.398 1.00 55.31 H new ATOM 0 HD12 LEU A 58 -4.594 5.974 -13.814 1.00 55.31 H new ATOM 0 HD13 LEU A 58 -3.307 5.519 -14.956 1.00 55.31 H new ATOM 0 HD21 LEU A 58 -1.116 5.198 -12.815 1.00 34.10 H new ATOM 0 HD22 LEU A 58 -0.878 6.067 -14.350 1.00 34.10 H new ATOM 0 HD23 LEU A 58 -0.548 6.885 -12.804 1.00 34.10 H new ATOM 897 N ASP A 59 -3.459 6.814 -17.201 1.00 1.03 N ATOM 898 CA ASP A 59 -4.551 6.455 -18.098 1.00 43.44 C ATOM 899 C ASP A 59 -5.064 5.051 -17.796 1.00 64.22 C ATOM 900 O ASP A 59 -4.579 4.386 -16.881 1.00 64.30 O ATOM 901 CB ASP A 59 -4.091 6.542 -19.555 1.00 32.43 C ATOM 902 CG ASP A 59 -4.123 7.960 -20.089 1.00 2.12 C ATOM 903 OD1 ASP A 59 -5.117 8.670 -19.829 1.00 51.12 O ATOM 904 OD2 ASP A 59 -3.153 8.360 -20.766 1.00 0.54 O ATOM 0 H ASP A 59 -2.611 6.261 -17.327 1.00 1.03 H new ATOM 0 HA ASP A 59 -5.366 7.161 -17.939 1.00 43.44 H new ATOM 0 HB2 ASP A 59 -3.078 6.149 -19.637 1.00 32.43 H new ATOM 0 HB3 ASP A 59 -4.729 5.910 -20.173 1.00 32.43 H new ATOM 909 N SER A 60 -6.048 4.606 -18.571 1.00 11.42 N ATOM 910 CA SER A 60 -6.631 3.283 -18.383 1.00 25.21 C ATOM 911 C SER A 60 -5.632 2.192 -18.757 1.00 23.24 C ATOM 912 O SER A 60 -5.704 1.071 -18.253 1.00 53.14 O ATOM 913 CB SER A 60 -7.900 3.137 -19.224 1.00 14.24 C ATOM 914 OG SER A 60 -8.580 4.375 -19.340 1.00 44.42 O ATOM 0 H SER A 60 -6.458 5.143 -19.335 1.00 11.42 H new ATOM 0 HA SER A 60 -6.887 3.172 -17.329 1.00 25.21 H new ATOM 0 HB2 SER A 60 -7.642 2.766 -20.216 1.00 14.24 H new ATOM 0 HB3 SER A 60 -8.559 2.398 -18.768 1.00 14.24 H new ATOM 0 HG SER A 60 -9.387 4.255 -19.884 1.00 44.42 H new ATOM 920 N GLN A 61 -4.700 2.529 -19.643 1.00 13.33 N ATOM 921 CA GLN A 61 -3.687 1.579 -20.085 1.00 20.42 C ATOM 922 C GLN A 61 -2.584 1.435 -19.042 1.00 23.42 C ATOM 923 O GLN A 61 -1.966 0.377 -18.919 1.00 72.41 O ATOM 924 CB GLN A 61 -3.088 2.024 -21.420 1.00 61.41 C ATOM 925 CG GLN A 61 -1.862 1.226 -21.833 1.00 24.32 C ATOM 926 CD GLN A 61 -2.167 -0.243 -22.049 1.00 22.52 C ATOM 927 OE1 GLN A 61 -3.199 -0.598 -22.620 1.00 1.44 O ATOM 928 NE2 GLN A 61 -1.268 -1.108 -21.593 1.00 34.33 N ATOM 0 H GLN A 61 -4.626 3.453 -20.069 1.00 13.33 H new ATOM 0 HA GLN A 61 -4.167 0.609 -20.216 1.00 20.42 H new ATOM 0 HB2 GLN A 61 -3.847 1.936 -22.197 1.00 61.41 H new ATOM 0 HB3 GLN A 61 -2.820 3.078 -21.355 1.00 61.41 H new ATOM 0 HG2 GLN A 61 -1.452 1.647 -22.751 1.00 24.32 H new ATOM 0 HG3 GLN A 61 -1.094 1.325 -21.066 1.00 24.32 H new ATOM 0 HE21 GLN A 61 -0.427 -0.770 -21.126 1.00 34.33 H new ATOM 0 HE22 GLN A 61 -1.419 -2.110 -21.710 1.00 34.33 H new ATOM 937 N ASP A 62 -2.341 2.505 -18.293 1.00 61.22 N ATOM 938 CA ASP A 62 -1.312 2.498 -17.260 1.00 31.43 C ATOM 939 C ASP A 62 -1.496 1.312 -16.318 1.00 35.13 C ATOM 940 O ASP A 62 -0.526 0.679 -15.901 1.00 0.20 O ATOM 941 CB ASP A 62 -1.346 3.805 -16.467 1.00 34.02 C ATOM 942 CG ASP A 62 0.025 4.216 -15.969 1.00 2.23 C ATOM 943 OD1 ASP A 62 0.735 4.930 -16.707 1.00 54.45 O ATOM 944 OD2 ASP A 62 0.390 3.823 -14.841 1.00 14.25 O ATOM 0 H ASP A 62 -2.843 3.389 -18.382 1.00 61.22 H new ATOM 0 HA ASP A 62 -0.342 2.404 -17.749 1.00 31.43 H new ATOM 0 HB2 ASP A 62 -1.754 4.597 -17.095 1.00 34.02 H new ATOM 0 HB3 ASP A 62 -2.020 3.694 -15.617 1.00 34.02 H new ATOM 949 N LYS A 63 -2.748 1.017 -15.985 1.00 34.43 N ATOM 950 CA LYS A 63 -3.062 -0.093 -15.092 1.00 3.10 C ATOM 951 C LYS A 63 -2.854 -1.431 -15.794 1.00 20.23 C ATOM 952 O LYS A 63 -2.470 -2.420 -15.167 1.00 1.53 O ATOM 953 CB LYS A 63 -4.505 0.016 -14.596 1.00 55.53 C ATOM 954 CG LYS A 63 -4.650 0.822 -13.317 1.00 21.45 C ATOM 955 CD LYS A 63 -4.868 2.297 -13.607 1.00 63.14 C ATOM 956 CE LYS A 63 -5.699 2.962 -12.521 1.00 52.34 C ATOM 957 NZ LYS A 63 -7.155 2.707 -12.703 1.00 51.41 N ATOM 0 H LYS A 63 -3.563 1.531 -16.320 1.00 34.43 H new ATOM 0 HA LYS A 63 -2.387 -0.042 -14.238 1.00 3.10 H new ATOM 0 HB2 LYS A 63 -5.114 0.474 -15.375 1.00 55.53 H new ATOM 0 HB3 LYS A 63 -4.900 -0.986 -14.430 1.00 55.53 H new ATOM 0 HG2 LYS A 63 -5.489 0.437 -12.737 1.00 21.45 H new ATOM 0 HG3 LYS A 63 -3.756 0.699 -12.706 1.00 21.45 H new ATOM 0 HD2 LYS A 63 -3.904 2.799 -13.688 1.00 63.14 H new ATOM 0 HD3 LYS A 63 -5.368 2.410 -14.569 1.00 63.14 H new ATOM 0 HE2 LYS A 63 -5.385 2.592 -11.545 1.00 52.34 H new ATOM 0 HE3 LYS A 63 -5.515 4.036 -12.529 1.00 52.34 H new ATOM 0 HZ1 LYS A 63 -7.687 3.177 -11.943 1.00 51.41 H new ATOM 0 HZ2 LYS A 63 -7.461 3.083 -13.623 1.00 51.41 H new ATOM 0 HZ3 LYS A 63 -7.335 1.683 -12.670 1.00 51.41 H new ATOM 971 N LEU A 64 -3.109 -1.456 -17.097 1.00 65.32 N ATOM 972 CA LEU A 64 -2.948 -2.674 -17.885 1.00 3.41 C ATOM 973 C LEU A 64 -1.489 -3.119 -17.907 1.00 71.03 C ATOM 974 O LEU A 64 -1.195 -4.314 -17.900 1.00 22.30 O ATOM 975 CB LEU A 64 -3.446 -2.450 -19.314 1.00 14.34 C ATOM 976 CG LEU A 64 -4.887 -1.956 -19.452 1.00 2.50 C ATOM 977 CD1 LEU A 64 -5.290 -1.890 -20.917 1.00 11.42 C ATOM 978 CD2 LEU A 64 -5.837 -2.856 -18.675 1.00 65.05 C ATOM 0 H LEU A 64 -3.428 -0.647 -17.631 1.00 65.32 H new ATOM 0 HA LEU A 64 -3.542 -3.460 -17.419 1.00 3.41 H new ATOM 0 HB2 LEU A 64 -2.788 -1.729 -19.798 1.00 14.34 H new ATOM 0 HB3 LEU A 64 -3.350 -3.387 -19.862 1.00 14.34 H new ATOM 0 HG LEU A 64 -4.948 -0.951 -19.034 1.00 2.50 H new ATOM 0 HD11 LEU A 64 -6.318 -1.537 -20.996 1.00 11.42 H new ATOM 0 HD12 LEU A 64 -4.629 -1.204 -21.446 1.00 11.42 H new ATOM 0 HD13 LEU A 64 -5.212 -2.883 -21.361 1.00 11.42 H new ATOM 0 HD21 LEU A 64 -6.857 -2.489 -18.785 1.00 65.05 H new ATOM 0 HD22 LEU A 64 -5.773 -3.873 -19.062 1.00 65.05 H new ATOM 0 HD23 LEU A 64 -5.561 -2.852 -17.620 1.00 65.05 H new ATOM 990 N TRP A 65 -0.581 -2.151 -17.932 1.00 42.54 N ATOM 991 CA TRP A 65 0.848 -2.443 -17.953 1.00 70.33 C ATOM 992 C TRP A 65 1.299 -3.049 -16.629 1.00 31.50 C ATOM 993 O TRP A 65 2.102 -3.981 -16.604 1.00 61.41 O ATOM 994 CB TRP A 65 1.646 -1.171 -18.244 1.00 71.21 C ATOM 995 CG TRP A 65 3.128 -1.358 -18.121 1.00 32.33 C ATOM 996 CD1 TRP A 65 3.840 -2.484 -18.423 1.00 13.20 C ATOM 997 CD2 TRP A 65 4.078 -0.392 -17.660 1.00 42.40 C ATOM 998 NE1 TRP A 65 5.176 -2.275 -18.178 1.00 34.11 N ATOM 999 CE2 TRP A 65 5.348 -0.999 -17.710 1.00 61.32 C ATOM 1000 CE3 TRP A 65 3.981 0.928 -17.212 1.00 55.42 C ATOM 1001 CZ2 TRP A 65 6.508 -0.331 -17.328 1.00 22.10 C ATOM 1002 CZ3 TRP A 65 5.133 1.590 -16.833 1.00 11.11 C ATOM 1003 CH2 TRP A 65 6.383 0.960 -16.893 1.00 42.54 C ATOM 0 H TRP A 65 -0.808 -1.157 -17.938 1.00 42.54 H new ATOM 0 HA TRP A 65 1.033 -3.168 -18.745 1.00 70.33 H new ATOM 0 HB2 TRP A 65 1.413 -0.827 -19.252 1.00 71.21 H new ATOM 0 HB3 TRP A 65 1.328 -0.386 -17.558 1.00 71.21 H new ATOM 0 HD1 TRP A 65 3.415 -3.403 -18.799 1.00 13.20 H new ATOM 0 HE1 TRP A 65 5.919 -2.959 -18.321 1.00 34.11 H new ATOM 0 HE3 TRP A 65 3.022 1.422 -17.163 1.00 55.42 H new ATOM 0 HZ2 TRP A 65 7.473 -0.815 -17.373 1.00 22.10 H new ATOM 0 HZ3 TRP A 65 5.069 2.610 -16.485 1.00 11.11 H new ATOM 0 HH2 TRP A 65 7.265 1.504 -16.590 1.00 42.54 H new ATOM 1014 N ALA A 66 0.777 -2.515 -15.530 1.00 52.30 N ATOM 1015 CA ALA A 66 1.125 -3.005 -14.202 1.00 74.23 C ATOM 1016 C ALA A 66 0.618 -4.428 -13.993 1.00 23.33 C ATOM 1017 O ALA A 66 1.264 -5.235 -13.323 1.00 42.15 O ATOM 1018 CB ALA A 66 0.562 -2.080 -13.134 1.00 13.04 C ATOM 0 H ALA A 66 0.111 -1.742 -15.533 1.00 52.30 H new ATOM 0 HA ALA A 66 2.212 -3.018 -14.119 1.00 74.23 H new ATOM 0 HB1 ALA A 66 0.830 -2.458 -12.147 1.00 13.04 H new ATOM 0 HB2 ALA A 66 0.976 -1.080 -13.264 1.00 13.04 H new ATOM 0 HB3 ALA A 66 -0.523 -2.038 -13.224 1.00 13.04 H new ATOM 1024 N ASP A 67 -0.541 -4.730 -14.568 1.00 44.51 N ATOM 1025 CA ASP A 67 -1.134 -6.056 -14.444 1.00 64.15 C ATOM 1026 C ASP A 67 -0.182 -7.128 -14.967 1.00 4.43 C ATOM 1027 O ASP A 67 0.026 -8.154 -14.321 1.00 22.12 O ATOM 1028 CB ASP A 67 -2.459 -6.119 -15.206 1.00 3.33 C ATOM 1029 CG ASP A 67 -2.961 -7.539 -15.378 1.00 44.35 C ATOM 1030 OD1 ASP A 67 -3.636 -8.045 -14.458 1.00 63.01 O ATOM 1031 OD2 ASP A 67 -2.678 -8.144 -16.434 1.00 23.23 O ATOM 0 H ASP A 67 -1.089 -4.074 -15.125 1.00 44.51 H new ATOM 0 HA ASP A 67 -1.322 -6.245 -13.387 1.00 64.15 H new ATOM 0 HB2 ASP A 67 -3.209 -5.534 -14.674 1.00 3.33 H new ATOM 0 HB3 ASP A 67 -2.333 -5.660 -16.187 1.00 3.33 H new ATOM 1036 N GLU A 68 0.393 -6.881 -16.140 1.00 74.11 N ATOM 1037 CA GLU A 68 1.321 -7.827 -16.749 1.00 52.51 C ATOM 1038 C GLU A 68 2.487 -8.125 -15.811 1.00 42.55 C ATOM 1039 O GLU A 68 3.029 -9.230 -15.809 1.00 3.15 O ATOM 1040 CB GLU A 68 1.847 -7.276 -18.076 1.00 52.23 C ATOM 1041 CG GLU A 68 0.915 -7.524 -19.250 1.00 52.24 C ATOM 1042 CD GLU A 68 1.364 -6.812 -20.512 1.00 34.11 C ATOM 1043 OE1 GLU A 68 1.264 -5.568 -20.558 1.00 4.14 O ATOM 1044 OE2 GLU A 68 1.813 -7.498 -21.453 1.00 24.50 O ATOM 0 H GLU A 68 0.233 -6.035 -16.687 1.00 74.11 H new ATOM 0 HA GLU A 68 0.783 -8.756 -16.937 1.00 52.51 H new ATOM 0 HB2 GLU A 68 2.012 -6.203 -17.974 1.00 52.23 H new ATOM 0 HB3 GLU A 68 2.815 -7.729 -18.290 1.00 52.23 H new ATOM 0 HG2 GLU A 68 0.857 -8.595 -19.443 1.00 52.24 H new ATOM 0 HG3 GLU A 68 -0.090 -7.192 -18.988 1.00 52.24 H new ATOM 1051 N VAL A 69 2.869 -7.130 -15.017 1.00 11.24 N ATOM 1052 CA VAL A 69 3.970 -7.284 -14.074 1.00 23.23 C ATOM 1053 C VAL A 69 3.552 -8.126 -12.873 1.00 41.32 C ATOM 1054 O VAL A 69 4.323 -8.951 -12.382 1.00 13.42 O ATOM 1055 CB VAL A 69 4.479 -5.918 -13.577 1.00 25.11 C ATOM 1056 CG1 VAL A 69 5.650 -6.099 -12.622 1.00 74.31 C ATOM 1057 CG2 VAL A 69 4.872 -5.036 -14.753 1.00 32.52 C ATOM 0 H VAL A 69 2.432 -6.208 -15.008 1.00 11.24 H new ATOM 0 HA VAL A 69 4.774 -7.791 -14.607 1.00 23.23 H new ATOM 0 HB VAL A 69 3.672 -5.425 -13.035 1.00 25.11 H new ATOM 0 HG11 VAL A 69 5.996 -5.123 -12.281 1.00 74.31 H new ATOM 0 HG12 VAL A 69 5.332 -6.691 -11.764 1.00 74.31 H new ATOM 0 HG13 VAL A 69 6.462 -6.613 -13.136 1.00 74.31 H new ATOM 0 HG21 VAL A 69 5.229 -4.075 -14.383 1.00 32.52 H new ATOM 0 HG22 VAL A 69 5.663 -5.522 -15.324 1.00 32.52 H new ATOM 0 HG23 VAL A 69 4.005 -4.878 -15.395 1.00 32.52 H new ATOM 1067 N ARG A 70 2.327 -7.912 -12.406 1.00 15.12 N ATOM 1068 CA ARG A 70 1.806 -8.650 -11.262 1.00 35.32 C ATOM 1069 C ARG A 70 1.647 -10.131 -11.597 1.00 12.53 C ATOM 1070 O ARG A 70 2.124 -10.996 -10.864 1.00 73.51 O ATOM 1071 CB ARG A 70 0.461 -8.069 -10.822 1.00 54.10 C ATOM 1072 CG ARG A 70 0.587 -6.807 -9.984 1.00 22.31 C ATOM 1073 CD ARG A 70 0.647 -7.129 -8.499 1.00 3.22 C ATOM 1074 NE ARG A 70 -0.586 -7.751 -8.023 1.00 45.41 N ATOM 1075 CZ ARG A 70 -1.684 -7.067 -7.720 1.00 23.52 C ATOM 1076 NH1 ARG A 70 -1.702 -5.747 -7.843 1.00 32.44 N ATOM 1077 NH2 ARG A 70 -2.766 -7.705 -7.293 1.00 54.12 N ATOM 0 H ARG A 70 1.676 -7.234 -12.802 1.00 15.12 H new ATOM 0 HA ARG A 70 2.520 -8.554 -10.444 1.00 35.32 H new ATOM 0 HB2 ARG A 70 -0.137 -7.849 -11.706 1.00 54.10 H new ATOM 0 HB3 ARG A 70 -0.081 -8.822 -10.250 1.00 54.10 H new ATOM 0 HG2 ARG A 70 1.485 -6.263 -10.276 1.00 22.31 H new ATOM 0 HG3 ARG A 70 -0.261 -6.151 -10.181 1.00 22.31 H new ATOM 0 HD2 ARG A 70 1.487 -7.796 -8.307 1.00 3.22 H new ATOM 0 HD3 ARG A 70 0.832 -6.214 -7.937 1.00 3.22 H new ATOM 0 HE ARG A 70 -0.605 -8.765 -7.918 1.00 45.41 H new ATOM 0 HH11 ARG A 70 -0.871 -5.254 -8.171 1.00 32.44 H new ATOM 0 HH12 ARG A 70 -2.546 -5.225 -7.610 1.00 32.44 H new ATOM 0 HH21 ARG A 70 -2.755 -8.720 -7.197 1.00 54.12 H new ATOM 0 HH22 ARG A 70 -3.609 -7.180 -7.060 1.00 54.12 H new ATOM 1091 N GLU A 71 0.973 -10.412 -12.708 1.00 2.22 N ATOM 1092 CA GLU A 71 0.751 -11.787 -13.138 1.00 30.20 C ATOM 1093 C GLU A 71 2.069 -12.552 -13.216 1.00 71.54 C ATOM 1094 O GLU A 71 2.119 -13.755 -12.953 1.00 15.31 O ATOM 1095 CB GLU A 71 0.052 -11.813 -14.499 1.00 1.31 C ATOM 1096 CG GLU A 71 0.835 -11.115 -15.598 1.00 52.33 C ATOM 1097 CD GLU A 71 0.179 -11.253 -16.959 1.00 4.42 C ATOM 1098 OE1 GLU A 71 -1.021 -10.928 -17.075 1.00 63.44 O ATOM 1099 OE2 GLU A 71 0.868 -11.685 -17.907 1.00 52.31 O ATOM 0 H GLU A 71 0.572 -9.706 -13.326 1.00 2.22 H new ATOM 0 HA GLU A 71 0.112 -12.273 -12.400 1.00 30.20 H new ATOM 0 HB2 GLU A 71 -0.121 -12.849 -14.790 1.00 1.31 H new ATOM 0 HB3 GLU A 71 -0.926 -11.341 -14.405 1.00 1.31 H new ATOM 0 HG2 GLU A 71 0.935 -10.058 -15.352 1.00 52.33 H new ATOM 0 HG3 GLU A 71 1.842 -11.529 -15.641 1.00 52.33 H new ATOM 1106 N LEU A 72 3.134 -11.848 -13.581 1.00 4.22 N ATOM 1107 CA LEU A 72 4.454 -12.460 -13.695 1.00 12.41 C ATOM 1108 C LEU A 72 4.858 -13.130 -12.386 1.00 22.01 C ATOM 1109 O LEU A 72 5.624 -14.094 -12.381 1.00 73.02 O ATOM 1110 CB LEU A 72 5.494 -11.407 -14.085 1.00 35.43 C ATOM 1111 CG LEU A 72 6.612 -11.881 -15.013 1.00 63.11 C ATOM 1112 CD1 LEU A 72 6.037 -12.396 -16.323 1.00 53.02 C ATOM 1113 CD2 LEU A 72 7.604 -10.756 -15.270 1.00 25.22 C ATOM 0 H LEU A 72 3.110 -10.853 -13.803 1.00 4.22 H new ATOM 0 HA LEU A 72 4.408 -13.222 -14.473 1.00 12.41 H new ATOM 0 HB2 LEU A 72 4.978 -10.576 -14.566 1.00 35.43 H new ATOM 0 HB3 LEU A 72 5.946 -11.017 -13.173 1.00 35.43 H new ATOM 0 HG LEU A 72 7.140 -12.700 -14.525 1.00 63.11 H new ATOM 0 HD11 LEU A 72 6.848 -12.729 -16.970 1.00 53.02 H new ATOM 0 HD12 LEU A 72 5.366 -13.232 -16.122 1.00 53.02 H new ATOM 0 HD13 LEU A 72 5.484 -11.597 -16.816 1.00 53.02 H new ATOM 0 HD21 LEU A 72 8.393 -11.111 -15.933 1.00 25.22 H new ATOM 0 HD22 LEU A 72 7.089 -9.916 -15.737 1.00 25.22 H new ATOM 0 HD23 LEU A 72 8.041 -10.434 -14.325 1.00 25.22 H new ATOM 1125 N SER A 73 4.337 -12.614 -11.277 1.00 61.42 N ATOM 1126 CA SER A 73 4.645 -13.162 -9.961 1.00 60.13 C ATOM 1127 C SER A 73 4.403 -14.668 -9.929 1.00 75.14 C ATOM 1128 O SER A 73 5.065 -15.399 -9.193 1.00 35.35 O ATOM 1129 CB SER A 73 3.798 -12.475 -8.888 1.00 40.15 C ATOM 1130 OG SER A 73 3.986 -13.084 -7.623 1.00 0.33 O ATOM 0 H SER A 73 3.700 -11.818 -11.264 1.00 61.42 H new ATOM 0 HA SER A 73 5.699 -12.977 -9.755 1.00 60.13 H new ATOM 0 HB2 SER A 73 4.065 -11.420 -8.830 1.00 40.15 H new ATOM 0 HB3 SER A 73 2.745 -12.523 -9.165 1.00 40.15 H new ATOM 0 HG SER A 73 3.435 -12.626 -6.954 1.00 0.33 H new ATOM 1136 N TYR A 74 3.449 -15.124 -10.734 1.00 30.32 N ATOM 1137 CA TYR A 74 3.116 -16.542 -10.797 1.00 21.51 C ATOM 1138 C TYR A 74 4.306 -17.360 -11.289 1.00 63.04 C ATOM 1139 O TYR A 74 4.635 -18.403 -10.724 1.00 1.24 O ATOM 1140 CB TYR A 74 1.914 -16.765 -11.717 1.00 24.33 C ATOM 1141 CG TYR A 74 0.606 -16.288 -11.129 1.00 75.03 C ATOM 1142 CD1 TYR A 74 0.264 -16.579 -9.814 1.00 43.33 C ATOM 1143 CD2 TYR A 74 -0.290 -15.545 -11.889 1.00 63.34 C ATOM 1144 CE1 TYR A 74 -0.931 -16.145 -9.274 1.00 21.31 C ATOM 1145 CE2 TYR A 74 -1.487 -15.106 -11.357 1.00 25.41 C ATOM 1146 CZ TYR A 74 -1.803 -15.409 -10.049 1.00 22.40 C ATOM 1147 OH TYR A 74 -2.994 -14.975 -9.514 1.00 3.41 O ATOM 0 H TYR A 74 2.893 -14.532 -11.351 1.00 30.32 H new ATOM 0 HA TYR A 74 2.861 -16.874 -9.791 1.00 21.51 H new ATOM 0 HB2 TYR A 74 2.088 -16.248 -12.661 1.00 24.33 H new ATOM 0 HB3 TYR A 74 1.834 -17.828 -11.946 1.00 24.33 H new ATOM 0 HD1 TYR A 74 0.944 -17.154 -9.204 1.00 43.33 H new ATOM 0 HD2 TYR A 74 -0.046 -15.307 -12.914 1.00 63.34 H new ATOM 0 HE1 TYR A 74 -1.181 -16.381 -8.250 1.00 21.31 H new ATOM 0 HE2 TYR A 74 -2.171 -14.529 -11.962 1.00 25.41 H new ATOM 0 HH TYR A 74 -3.492 -14.470 -10.190 1.00 3.41 H new ATOM 1157 N VAL A 75 4.949 -16.878 -12.348 1.00 64.13 N ATOM 1158 CA VAL A 75 6.105 -17.562 -12.918 1.00 15.43 C ATOM 1159 C VAL A 75 7.234 -17.672 -11.900 1.00 22.30 C ATOM 1160 O VAL A 75 7.964 -18.664 -11.873 1.00 51.11 O ATOM 1161 CB VAL A 75 6.626 -16.833 -14.170 1.00 64.35 C ATOM 1162 CG1 VAL A 75 7.732 -17.640 -14.835 1.00 53.54 C ATOM 1163 CG2 VAL A 75 5.489 -16.568 -15.145 1.00 33.12 C ATOM 0 H VAL A 75 4.689 -16.017 -12.829 1.00 64.13 H new ATOM 0 HA VAL A 75 5.775 -18.562 -13.200 1.00 15.43 H new ATOM 0 HB VAL A 75 7.042 -15.873 -13.864 1.00 64.35 H new ATOM 0 HG11 VAL A 75 8.088 -17.110 -15.718 1.00 53.54 H new ATOM 0 HG12 VAL A 75 8.556 -17.774 -14.135 1.00 53.54 H new ATOM 0 HG13 VAL A 75 7.344 -18.615 -15.129 1.00 53.54 H new ATOM 0 HG21 VAL A 75 5.876 -16.052 -16.024 1.00 33.12 H new ATOM 0 HG22 VAL A 75 5.041 -17.515 -15.448 1.00 33.12 H new ATOM 0 HG23 VAL A 75 4.734 -15.947 -14.663 1.00 33.12 H new ATOM 1173 N ILE A 76 7.372 -16.649 -11.064 1.00 44.21 N ATOM 1174 CA ILE A 76 8.413 -16.632 -10.043 1.00 75.11 C ATOM 1175 C ILE A 76 8.324 -17.864 -9.148 1.00 45.24 C ATOM 1176 O ILE A 76 9.339 -18.363 -8.663 1.00 33.52 O ATOM 1177 CB ILE A 76 8.322 -15.368 -9.168 1.00 31.12 C ATOM 1178 CG1 ILE A 76 8.390 -14.112 -10.039 1.00 25.12 C ATOM 1179 CG2 ILE A 76 9.435 -15.361 -8.130 1.00 71.35 C ATOM 1180 CD1 ILE A 76 8.244 -12.826 -9.257 1.00 13.32 C ATOM 0 H ILE A 76 6.776 -15.821 -11.073 1.00 44.21 H new ATOM 0 HA ILE A 76 9.369 -16.634 -10.566 1.00 75.11 H new ATOM 0 HB ILE A 76 7.365 -15.373 -8.646 1.00 31.12 H new ATOM 0 HG12 ILE A 76 9.342 -14.099 -10.570 1.00 25.12 H new ATOM 0 HG13 ILE A 76 7.605 -14.160 -10.794 1.00 25.12 H new ATOM 0 HG21 ILE A 76 9.357 -14.461 -7.519 1.00 71.35 H new ATOM 0 HG22 ILE A 76 9.344 -16.241 -7.493 1.00 71.35 H new ATOM 0 HG23 ILE A 76 10.402 -15.376 -8.633 1.00 71.35 H new ATOM 0 HD11 ILE A 76 8.302 -11.977 -9.938 1.00 13.32 H new ATOM 0 HD12 ILE A 76 7.280 -12.817 -8.748 1.00 13.32 H new ATOM 0 HD13 ILE A 76 9.044 -12.755 -8.520 1.00 13.32 H new ATOM 1192 N GLU A 77 7.105 -18.349 -8.937 1.00 10.13 N ATOM 1193 CA GLU A 77 6.885 -19.523 -8.101 1.00 22.40 C ATOM 1194 C GLU A 77 7.776 -20.681 -8.544 1.00 54.22 C ATOM 1195 O GLU A 77 8.242 -21.469 -7.722 1.00 24.03 O ATOM 1196 CB GLU A 77 5.416 -19.947 -8.154 1.00 12.32 C ATOM 1197 CG GLU A 77 5.115 -21.203 -7.354 1.00 1.14 C ATOM 1198 CD GLU A 77 3.632 -21.394 -7.103 1.00 72.12 C ATOM 1199 OE1 GLU A 77 2.903 -21.705 -8.069 1.00 21.02 O ATOM 1200 OE2 GLU A 77 3.200 -21.233 -5.943 1.00 13.40 O ATOM 0 H GLU A 77 6.255 -17.948 -9.333 1.00 10.13 H new ATOM 0 HA GLU A 77 7.143 -19.260 -7.075 1.00 22.40 H new ATOM 0 HB2 GLU A 77 4.798 -19.131 -7.780 1.00 12.32 H new ATOM 0 HB3 GLU A 77 5.132 -20.112 -9.193 1.00 12.32 H new ATOM 0 HG2 GLU A 77 5.504 -22.071 -7.887 1.00 1.14 H new ATOM 0 HG3 GLU A 77 5.638 -21.155 -6.399 1.00 1.14 H new ATOM 1207 N ASP A 78 8.006 -20.776 -9.849 1.00 74.20 N ATOM 1208 CA ASP A 78 8.840 -21.836 -10.403 1.00 30.32 C ATOM 1209 C ASP A 78 10.183 -21.903 -9.682 1.00 72.50 C ATOM 1210 O ASP A 78 10.771 -22.975 -9.544 1.00 22.41 O ATOM 1211 CB ASP A 78 9.061 -21.611 -11.899 1.00 61.24 C ATOM 1212 CG ASP A 78 9.798 -22.762 -12.555 1.00 71.53 C ATOM 1213 OD1 ASP A 78 9.890 -23.841 -11.932 1.00 14.12 O ATOM 1214 OD2 ASP A 78 10.282 -22.585 -13.692 1.00 61.45 O ATOM 0 H ASP A 78 7.627 -20.132 -10.543 1.00 74.20 H new ATOM 0 HA ASP A 78 8.323 -22.785 -10.259 1.00 30.32 H new ATOM 0 HB2 ASP A 78 8.097 -21.474 -12.389 1.00 61.24 H new ATOM 0 HB3 ASP A 78 9.627 -20.691 -12.045 1.00 61.24 H new ATOM 1219 N ALA A 79 10.662 -20.751 -9.226 1.00 11.05 N ATOM 1220 CA ALA A 79 11.934 -20.679 -8.518 1.00 65.24 C ATOM 1221 C ALA A 79 11.904 -21.519 -7.246 1.00 15.11 C ATOM 1222 O ALA A 79 12.770 -22.366 -7.028 1.00 34.21 O ATOM 1223 CB ALA A 79 12.275 -19.233 -8.191 1.00 22.04 C ATOM 0 H ALA A 79 10.188 -19.854 -9.334 1.00 11.05 H new ATOM 0 HA ALA A 79 12.707 -21.084 -9.170 1.00 65.24 H new ATOM 0 HB1 ALA A 79 13.227 -19.194 -7.662 1.00 22.04 H new ATOM 0 HB2 ALA A 79 12.349 -18.659 -9.115 1.00 22.04 H new ATOM 0 HB3 ALA A 79 11.493 -18.808 -7.561 1.00 22.04 H new ATOM 1229 N VAL A 80 10.901 -21.278 -6.407 1.00 54.24 N ATOM 1230 CA VAL A 80 10.757 -22.012 -5.156 1.00 73.32 C ATOM 1231 C VAL A 80 10.646 -23.512 -5.409 1.00 12.32 C ATOM 1232 O VAL A 80 11.061 -24.323 -4.582 1.00 23.34 O ATOM 1233 CB VAL A 80 9.519 -21.543 -4.369 1.00 1.43 C ATOM 1234 CG1 VAL A 80 9.334 -22.382 -3.114 1.00 22.11 C ATOM 1235 CG2 VAL A 80 9.639 -20.067 -4.020 1.00 12.31 C ATOM 0 H VAL A 80 10.176 -20.580 -6.572 1.00 54.24 H new ATOM 0 HA VAL A 80 11.651 -21.810 -4.566 1.00 73.32 H new ATOM 0 HB VAL A 80 8.639 -21.675 -4.998 1.00 1.43 H new ATOM 0 HG11 VAL A 80 8.454 -22.036 -2.571 1.00 22.11 H new ATOM 0 HG12 VAL A 80 9.201 -23.428 -3.392 1.00 22.11 H new ATOM 0 HG13 VAL A 80 10.214 -22.285 -2.478 1.00 22.11 H new ATOM 0 HG21 VAL A 80 8.756 -19.752 -3.464 1.00 12.31 H new ATOM 0 HG22 VAL A 80 10.528 -19.909 -3.409 1.00 12.31 H new ATOM 0 HG23 VAL A 80 9.719 -19.482 -4.936 1.00 12.31 H new ATOM 1245 N ASP A 81 10.083 -23.872 -6.557 1.00 23.52 N ATOM 1246 CA ASP A 81 9.919 -25.275 -6.920 1.00 72.21 C ATOM 1247 C ASP A 81 11.272 -25.937 -7.160 1.00 43.44 C ATOM 1248 O ASP A 81 11.426 -27.145 -6.979 1.00 5.54 O ATOM 1249 CB ASP A 81 9.046 -25.402 -8.170 1.00 45.50 C ATOM 1250 CG ASP A 81 9.183 -26.756 -8.837 1.00 62.10 C ATOM 1251 OD1 ASP A 81 10.111 -26.923 -9.656 1.00 60.53 O ATOM 1252 OD2 ASP A 81 8.363 -27.649 -8.539 1.00 71.11 O ATOM 0 H ASP A 81 9.733 -23.212 -7.252 1.00 23.52 H new ATOM 0 HA ASP A 81 9.428 -25.784 -6.090 1.00 72.21 H new ATOM 0 HB2 ASP A 81 8.003 -25.238 -7.899 1.00 45.50 H new ATOM 0 HB3 ASP A 81 9.318 -24.621 -8.880 1.00 45.50 H new ATOM 1257 N LYS A 82 12.251 -25.137 -7.571 1.00 60.43 N ATOM 1258 CA LYS A 82 13.592 -25.644 -7.837 1.00 3.41 C ATOM 1259 C LYS A 82 14.165 -26.340 -6.606 1.00 74.15 C ATOM 1260 O LYS A 82 15.037 -27.202 -6.718 1.00 75.11 O ATOM 1261 CB LYS A 82 14.516 -24.501 -8.265 1.00 13.43 C ATOM 1262 CG LYS A 82 13.972 -23.680 -9.421 1.00 41.04 C ATOM 1263 CD LYS A 82 13.803 -24.525 -10.673 1.00 55.41 C ATOM 1264 CE LYS A 82 15.144 -24.857 -11.307 1.00 65.30 C ATOM 1265 NZ LYS A 82 15.637 -23.752 -12.176 1.00 31.45 N ATOM 0 H LYS A 82 12.140 -24.135 -7.727 1.00 60.43 H new ATOM 0 HA LYS A 82 13.524 -26.371 -8.646 1.00 3.41 H new ATOM 0 HB2 LYS A 82 14.686 -23.844 -7.412 1.00 13.43 H new ATOM 0 HB3 LYS A 82 15.484 -24.914 -8.548 1.00 13.43 H new ATOM 0 HG2 LYS A 82 13.012 -23.247 -9.141 1.00 41.04 H new ATOM 0 HG3 LYS A 82 14.648 -22.850 -9.629 1.00 41.04 H new ATOM 0 HD2 LYS A 82 13.280 -25.448 -10.422 1.00 55.41 H new ATOM 0 HD3 LYS A 82 13.182 -23.991 -11.392 1.00 55.41 H new ATOM 0 HE2 LYS A 82 15.876 -25.057 -10.524 1.00 65.30 H new ATOM 0 HE3 LYS A 82 15.051 -25.769 -11.897 1.00 65.30 H new ATOM 0 HZ1 LYS A 82 16.440 -24.089 -12.744 1.00 31.45 H new ATOM 0 HZ2 LYS A 82 14.872 -23.440 -12.808 1.00 31.45 H new ATOM 0 HZ3 LYS A 82 15.943 -22.954 -11.583 1.00 31.45 H new ATOM 1279 N PHE A 83 13.668 -25.962 -5.433 1.00 74.04 N ATOM 1280 CA PHE A 83 14.129 -26.551 -4.182 1.00 3.01 C ATOM 1281 C PHE A 83 13.550 -27.950 -3.993 1.00 23.01 C ATOM 1282 O PHE A 83 14.282 -28.909 -3.745 1.00 63.21 O ATOM 1283 CB PHE A 83 13.739 -25.661 -3.000 1.00 75.11 C ATOM 1284 CG PHE A 83 14.070 -26.260 -1.663 1.00 64.12 C ATOM 1285 CD1 PHE A 83 13.180 -27.114 -1.031 1.00 45.45 C ATOM 1286 CD2 PHE A 83 15.272 -25.969 -1.038 1.00 63.01 C ATOM 1287 CE1 PHE A 83 13.483 -27.667 0.199 1.00 51.24 C ATOM 1288 CE2 PHE A 83 15.580 -26.519 0.192 1.00 63.54 C ATOM 1289 CZ PHE A 83 14.684 -27.368 0.811 1.00 21.43 C ATOM 0 H PHE A 83 12.946 -25.250 -5.323 1.00 74.04 H new ATOM 0 HA PHE A 83 15.215 -26.630 -4.225 1.00 3.01 H new ATOM 0 HB2 PHE A 83 14.247 -24.701 -3.095 1.00 75.11 H new ATOM 0 HB3 PHE A 83 12.669 -25.461 -3.044 1.00 75.11 H new ATOM 0 HD1 PHE A 83 12.239 -27.350 -1.505 1.00 45.45 H new ATOM 0 HD2 PHE A 83 15.976 -25.305 -1.517 1.00 63.01 H new ATOM 0 HE1 PHE A 83 12.781 -28.332 0.681 1.00 51.24 H new ATOM 0 HE2 PHE A 83 16.521 -26.285 0.669 1.00 63.54 H new ATOM 0 HZ PHE A 83 14.922 -27.798 1.773 1.00 21.43 H new ATOM 1299 N LEU A 84 12.232 -28.059 -4.111 1.00 53.20 N ATOM 1300 CA LEU A 84 11.552 -29.340 -3.953 1.00 64.10 C ATOM 1301 C LEU A 84 11.737 -30.211 -5.192 1.00 13.50 C ATOM 1302 O LEU A 84 11.366 -31.384 -5.200 1.00 34.43 O ATOM 1303 CB LEU A 84 10.062 -29.120 -3.687 1.00 61.32 C ATOM 1304 CG LEU A 84 9.238 -28.608 -4.869 1.00 30.00 C ATOM 1305 CD1 LEU A 84 8.573 -29.765 -5.598 1.00 31.44 C ATOM 1306 CD2 LEU A 84 8.197 -27.603 -4.397 1.00 72.45 C ATOM 0 H LEU A 84 11.612 -27.275 -4.316 1.00 53.20 H new ATOM 0 HA LEU A 84 11.994 -29.855 -3.100 1.00 64.10 H new ATOM 0 HB2 LEU A 84 9.630 -30.063 -3.350 1.00 61.32 H new ATOM 0 HB3 LEU A 84 9.961 -28.411 -2.865 1.00 61.32 H new ATOM 0 HG LEU A 84 9.910 -28.106 -5.565 1.00 30.00 H new ATOM 0 HD11 LEU A 84 7.991 -29.381 -6.436 1.00 31.44 H new ATOM 0 HD12 LEU A 84 9.337 -30.448 -5.970 1.00 31.44 H new ATOM 0 HD13 LEU A 84 7.914 -30.297 -4.912 1.00 31.44 H new ATOM 0 HD21 LEU A 84 7.620 -27.249 -5.251 1.00 72.45 H new ATOM 0 HD22 LEU A 84 7.529 -28.081 -3.680 1.00 72.45 H new ATOM 0 HD23 LEU A 84 8.696 -26.759 -3.921 1.00 72.45 H new ATOM 1318 N VAL A 85 12.314 -29.628 -6.238 1.00 3.22 N ATOM 1319 CA VAL A 85 12.551 -30.351 -7.481 1.00 43.15 C ATOM 1320 C VAL A 85 13.264 -31.673 -7.221 1.00 74.41 C ATOM 1321 O VAL A 85 13.123 -32.627 -7.987 1.00 21.12 O ATOM 1322 CB VAL A 85 13.390 -29.514 -8.466 1.00 74.22 C ATOM 1323 CG1 VAL A 85 14.872 -29.651 -8.156 1.00 23.03 C ATOM 1324 CG2 VAL A 85 13.096 -29.928 -9.900 1.00 63.13 C ATOM 0 H VAL A 85 12.626 -28.657 -6.249 1.00 3.22 H new ATOM 0 HA VAL A 85 11.574 -30.549 -7.923 1.00 43.15 H new ATOM 0 HB VAL A 85 13.115 -28.465 -8.351 1.00 74.22 H new ATOM 0 HG11 VAL A 85 15.448 -29.053 -8.862 1.00 23.03 H new ATOM 0 HG12 VAL A 85 15.065 -29.302 -7.142 1.00 23.03 H new ATOM 0 HG13 VAL A 85 15.166 -30.697 -8.242 1.00 23.03 H new ATOM 0 HG21 VAL A 85 13.697 -29.327 -10.583 1.00 63.13 H new ATOM 0 HG22 VAL A 85 13.342 -30.982 -10.032 1.00 63.13 H new ATOM 0 HG23 VAL A 85 12.039 -29.772 -10.114 1.00 63.13 H new ATOM 1334 N ARG A 86 14.028 -31.724 -6.135 1.00 41.41 N ATOM 1335 CA ARG A 86 14.763 -32.929 -5.774 1.00 24.45 C ATOM 1336 C ARG A 86 13.810 -34.096 -5.534 1.00 31.41 C ATOM 1337 O ARG A 86 14.004 -35.190 -6.065 1.00 5.12 O ATOM 1338 CB ARG A 86 15.608 -32.682 -4.522 1.00 52.42 C ATOM 1339 CG ARG A 86 17.104 -32.674 -4.789 1.00 1.32 C ATOM 1340 CD ARG A 86 17.859 -33.492 -3.753 1.00 72.31 C ATOM 1341 NE ARG A 86 17.484 -34.903 -3.792 1.00 31.34 N ATOM 1342 CZ ARG A 86 17.857 -35.788 -2.874 1.00 65.20 C ATOM 1343 NH1 ARG A 86 18.612 -35.410 -1.852 1.00 11.35 N ATOM 1344 NH2 ARG A 86 17.476 -37.055 -2.978 1.00 11.20 N ATOM 0 H ARG A 86 14.154 -30.944 -5.490 1.00 41.41 H new ATOM 0 HA ARG A 86 15.422 -33.184 -6.604 1.00 24.45 H new ATOM 0 HB2 ARG A 86 15.321 -31.727 -4.083 1.00 52.42 H new ATOM 0 HB3 ARG A 86 15.383 -33.452 -3.784 1.00 52.42 H new ATOM 0 HG2 ARG A 86 17.299 -33.075 -5.784 1.00 1.32 H new ATOM 0 HG3 ARG A 86 17.471 -31.648 -4.781 1.00 1.32 H new ATOM 0 HD2 ARG A 86 18.931 -33.397 -3.926 1.00 72.31 H new ATOM 0 HD3 ARG A 86 17.660 -33.091 -2.759 1.00 72.31 H new ATOM 0 HE ARG A 86 16.904 -35.227 -4.566 1.00 31.34 H new ATOM 0 HH11 ARG A 86 18.908 -34.437 -1.769 1.00 11.35 H new ATOM 0 HH12 ARG A 86 18.897 -36.092 -1.149 1.00 11.35 H new ATOM 0 HH21 ARG A 86 16.896 -37.350 -3.763 1.00 11.20 H new ATOM 0 HH22 ARG A 86 17.763 -37.733 -2.273 1.00 11.20 H new ATOM 1358 N VAL A 87 12.779 -33.856 -4.730 1.00 52.12 N ATOM 1359 CA VAL A 87 11.795 -34.886 -4.420 1.00 75.03 C ATOM 1360 C VAL A 87 10.784 -35.038 -5.551 1.00 73.23 C ATOM 1361 O VAL A 87 10.125 -36.071 -5.675 1.00 60.40 O ATOM 1362 CB VAL A 87 11.043 -34.569 -3.114 1.00 32.22 C ATOM 1363 CG1 VAL A 87 12.000 -34.575 -1.932 1.00 22.12 C ATOM 1364 CG2 VAL A 87 10.326 -33.232 -3.223 1.00 52.01 C ATOM 0 H VAL A 87 12.604 -32.957 -4.281 1.00 52.12 H new ATOM 0 HA VAL A 87 12.343 -35.820 -4.298 1.00 75.03 H new ATOM 0 HB VAL A 87 10.295 -35.344 -2.949 1.00 32.22 H new ATOM 0 HG11 VAL A 87 11.451 -34.349 -1.018 1.00 22.12 H new ATOM 0 HG12 VAL A 87 12.463 -35.558 -1.844 1.00 22.12 H new ATOM 0 HG13 VAL A 87 12.773 -33.822 -2.086 1.00 22.12 H new ATOM 0 HG21 VAL A 87 9.800 -33.024 -2.291 1.00 52.01 H new ATOM 0 HG22 VAL A 87 11.054 -32.443 -3.412 1.00 52.01 H new ATOM 0 HG23 VAL A 87 9.610 -33.269 -4.044 1.00 52.01 H new ATOM 1374 N HIS A 88 10.666 -34.002 -6.376 1.00 31.22 N ATOM 1375 CA HIS A 88 9.735 -34.021 -7.499 1.00 3.11 C ATOM 1376 C HIS A 88 10.130 -35.090 -8.514 1.00 11.34 C ATOM 1377 O HIS A 88 9.338 -35.461 -9.379 1.00 40.41 O ATOM 1378 CB HIS A 88 9.692 -32.650 -8.175 1.00 73.42 C ATOM 1379 CG HIS A 88 8.435 -32.406 -8.952 1.00 51.33 C ATOM 1380 ND1 HIS A 88 8.370 -31.542 -10.026 1.00 32.53 N ATOM 1381 CD2 HIS A 88 7.191 -32.918 -8.808 1.00 34.34 C ATOM 1382 CE1 HIS A 88 7.139 -31.533 -10.506 1.00 63.44 C ATOM 1383 NE2 HIS A 88 6.404 -32.360 -9.785 1.00 61.32 N ATOM 0 H HIS A 88 11.203 -33.139 -6.288 1.00 31.22 H new ATOM 0 HA HIS A 88 8.744 -34.260 -7.114 1.00 3.11 H new ATOM 0 HB2 HIS A 88 9.796 -31.876 -7.415 1.00 73.42 H new ATOM 0 HB3 HIS A 88 10.547 -32.557 -8.844 1.00 73.42 H new ATOM 0 HD2 HIS A 88 6.875 -33.633 -8.063 1.00 34.34 H new ATOM 0 HE1 HIS A 88 6.793 -30.948 -11.346 1.00 63.44 H new ATOM 0 HE2 HIS A 88 5.413 -32.553 -9.930 1.00 61.32 H new ATOM 1391 N GLY A 89 11.360 -35.581 -8.401 1.00 5.30 N ATOM 1392 CA GLY A 89 11.839 -36.601 -9.315 1.00 74.14 C ATOM 1393 C GLY A 89 12.577 -36.016 -10.503 1.00 14.30 C ATOM 1394 O GLY A 89 13.453 -36.661 -11.078 1.00 5.31 O ATOM 0 H GLY A 89 12.034 -35.290 -7.692 1.00 5.30 H new ATOM 0 HA2 GLY A 89 12.501 -37.282 -8.780 1.00 74.14 H new ATOM 0 HA3 GLY A 89 10.994 -37.191 -9.671 1.00 74.14 H new ATOM 1398 N VAL A 90 12.220 -34.790 -10.873 1.00 44.34 N ATOM 1399 CA VAL A 90 12.855 -34.117 -12.001 1.00 34.21 C ATOM 1400 C VAL A 90 14.030 -33.263 -11.541 1.00 3.34 C ATOM 1401 O VAL A 90 14.059 -32.790 -10.405 1.00 21.22 O ATOM 1402 CB VAL A 90 11.853 -33.226 -12.759 1.00 75.40 C ATOM 1403 CG1 VAL A 90 11.431 -32.045 -11.899 1.00 10.12 C ATOM 1404 CG2 VAL A 90 12.451 -32.752 -14.075 1.00 3.05 C ATOM 0 H VAL A 90 11.495 -34.243 -10.409 1.00 44.34 H new ATOM 0 HA VAL A 90 13.217 -34.896 -12.672 1.00 34.21 H new ATOM 0 HB VAL A 90 10.965 -33.817 -12.982 1.00 75.40 H new ATOM 0 HG11 VAL A 90 10.723 -31.427 -12.451 1.00 10.12 H new ATOM 0 HG12 VAL A 90 10.959 -32.410 -10.986 1.00 10.12 H new ATOM 0 HG13 VAL A 90 12.308 -31.451 -11.642 1.00 10.12 H new ATOM 0 HG21 VAL A 90 11.729 -32.124 -14.597 1.00 3.05 H new ATOM 0 HG22 VAL A 90 13.356 -32.178 -13.877 1.00 3.05 H new ATOM 0 HG23 VAL A 90 12.697 -33.614 -14.695 1.00 3.05 H new ATOM 1414 N GLU A 91 14.998 -33.068 -12.431 1.00 21.50 N ATOM 1415 CA GLU A 91 16.177 -32.271 -12.115 1.00 50.50 C ATOM 1416 C GLU A 91 16.183 -30.969 -12.912 1.00 60.55 C ATOM 1417 O GLU A 91 15.554 -30.854 -13.965 1.00 3.13 O ATOM 1418 CB GLU A 91 17.451 -33.066 -12.406 1.00 5.31 C ATOM 1419 CG GLU A 91 17.400 -33.841 -13.711 1.00 63.35 C ATOM 1420 CD GLU A 91 18.667 -34.633 -13.969 1.00 63.54 C ATOM 1421 OE1 GLU A 91 19.751 -34.016 -14.036 1.00 34.13 O ATOM 1422 OE2 GLU A 91 18.575 -35.872 -14.105 1.00 12.42 O ATOM 0 H GLU A 91 14.989 -33.451 -13.376 1.00 21.50 H new ATOM 0 HA GLU A 91 16.145 -32.027 -11.053 1.00 50.50 H new ATOM 0 HB2 GLU A 91 18.298 -32.381 -12.433 1.00 5.31 H new ATOM 0 HB3 GLU A 91 17.630 -33.762 -11.587 1.00 5.31 H new ATOM 0 HG2 GLU A 91 16.548 -34.521 -13.692 1.00 63.35 H new ATOM 0 HG3 GLU A 91 17.236 -33.147 -14.535 1.00 63.35 H new ATOM 1429 N PRO A 92 16.910 -29.965 -12.400 1.00 60.42 N ATOM 1430 CA PRO A 92 17.016 -28.654 -13.048 1.00 21.45 C ATOM 1431 C PRO A 92 17.823 -28.710 -14.340 1.00 42.21 C ATOM 1432 O PRO A 92 18.915 -29.278 -14.377 1.00 51.35 O ATOM 1433 CB PRO A 92 17.738 -27.800 -12.002 1.00 71.15 C ATOM 1434 CG PRO A 92 18.510 -28.776 -11.183 1.00 52.01 C ATOM 1435 CD PRO A 92 17.685 -30.033 -11.150 1.00 11.32 C ATOM 0 HA PRO A 92 16.041 -28.262 -13.339 1.00 21.45 H new ATOM 0 HB2 PRO A 92 18.397 -27.070 -12.473 1.00 71.15 H new ATOM 0 HB3 PRO A 92 17.030 -27.242 -11.389 1.00 71.15 H new ATOM 0 HG2 PRO A 92 19.490 -28.964 -11.621 1.00 52.01 H new ATOM 0 HG3 PRO A 92 18.679 -28.393 -10.176 1.00 52.01 H new ATOM 0 HD2 PRO A 92 18.312 -30.924 -11.114 1.00 11.32 H new ATOM 0 HD3 PRO A 92 17.035 -30.064 -10.275 1.00 11.32 H new ATOM 1443 N ASP A 93 17.280 -28.117 -15.397 1.00 51.52 N ATOM 1444 CA ASP A 93 17.951 -28.097 -16.692 1.00 33.01 C ATOM 1445 C ASP A 93 17.680 -26.787 -17.424 1.00 40.45 C ATOM 1446 O ASP A 93 16.850 -25.984 -16.996 1.00 23.30 O ATOM 1447 CB ASP A 93 17.490 -29.278 -17.547 1.00 33.41 C ATOM 1448 CG ASP A 93 18.192 -30.570 -17.177 1.00 2.12 C ATOM 1449 OD1 ASP A 93 19.334 -30.778 -17.639 1.00 33.31 O ATOM 1450 OD2 ASP A 93 17.601 -31.372 -16.424 1.00 52.14 O ATOM 0 H ASP A 93 16.377 -27.643 -15.383 1.00 51.52 H new ATOM 0 HA ASP A 93 19.024 -28.180 -16.519 1.00 33.01 H new ATOM 0 HB2 ASP A 93 16.414 -29.407 -17.433 1.00 33.41 H new ATOM 0 HB3 ASP A 93 17.675 -29.056 -18.598 1.00 33.41 H new ATOM 1455 N ASP A 94 18.386 -26.576 -18.530 1.00 31.11 N ATOM 1456 CA ASP A 94 18.222 -25.363 -19.322 1.00 41.04 C ATOM 1457 C ASP A 94 16.949 -25.429 -20.160 1.00 13.22 C ATOM 1458 O ASP A 94 16.280 -24.418 -20.371 1.00 31.04 O ATOM 1459 CB ASP A 94 19.435 -25.154 -20.231 1.00 34.10 C ATOM 1460 CG ASP A 94 19.583 -23.713 -20.677 1.00 14.45 C ATOM 1461 OD1 ASP A 94 18.663 -23.203 -21.349 1.00 52.44 O ATOM 1462 OD2 ASP A 94 20.619 -23.095 -20.353 1.00 52.31 O ATOM 0 H ASP A 94 19.077 -27.230 -18.898 1.00 31.11 H new ATOM 0 HA ASP A 94 18.141 -24.519 -18.637 1.00 41.04 H new ATOM 0 HB2 ASP A 94 20.338 -25.463 -19.704 1.00 34.10 H new ATOM 0 HB3 ASP A 94 19.343 -25.795 -21.108 1.00 34.10 H new ATOM 1467 N ASN A 95 16.620 -26.626 -20.635 1.00 45.34 N ATOM 1468 CA ASN A 95 15.428 -26.823 -21.452 1.00 21.24 C ATOM 1469 C ASN A 95 14.177 -26.884 -20.581 1.00 12.52 C ATOM 1470 O ASN A 95 13.219 -26.141 -20.798 1.00 14.21 O ATOM 1471 CB ASN A 95 15.554 -28.108 -22.273 1.00 11.10 C ATOM 1472 CG ASN A 95 16.579 -27.986 -23.384 1.00 3.05 C ATOM 1473 OD1 ASN A 95 17.739 -28.364 -23.217 1.00 1.32 O ATOM 1474 ND2 ASN A 95 16.155 -27.456 -24.525 1.00 0.02 N ATOM 0 H ASN A 95 17.162 -27.474 -20.468 1.00 45.34 H new ATOM 0 HA ASN A 95 15.337 -25.974 -22.130 1.00 21.24 H new ATOM 0 HB2 ASN A 95 15.832 -28.931 -21.614 1.00 11.10 H new ATOM 0 HB3 ASN A 95 14.584 -28.358 -22.703 1.00 11.10 H new ATOM 0 HD21 ASN A 95 16.800 -27.348 -25.308 1.00 0.02 H new ATOM 0 HD22 ASN A 95 15.184 -27.156 -24.619 1.00 0.02 H new ATOM 1481 N THR A 96 14.192 -27.773 -19.593 1.00 20.20 N ATOM 1482 CA THR A 96 13.060 -27.932 -18.689 1.00 54.44 C ATOM 1483 C THR A 96 12.695 -26.608 -18.027 1.00 5.11 C ATOM 1484 O THR A 96 11.550 -26.396 -17.630 1.00 65.01 O ATOM 1485 CB THR A 96 13.355 -28.976 -17.596 1.00 51.32 C ATOM 1486 OG1 THR A 96 13.831 -30.188 -18.192 1.00 13.20 O ATOM 1487 CG2 THR A 96 12.109 -29.265 -16.773 1.00 13.41 C ATOM 0 H THR A 96 14.977 -28.395 -19.398 1.00 20.20 H new ATOM 0 HA THR A 96 12.220 -28.277 -19.292 1.00 54.44 H new ATOM 0 HB THR A 96 14.121 -28.571 -16.935 1.00 51.32 H new ATOM 0 HG1 THR A 96 14.018 -30.846 -17.490 1.00 13.20 H new ATOM 0 HG21 THR A 96 12.342 -30.005 -16.008 1.00 13.41 H new ATOM 0 HG22 THR A 96 11.766 -28.346 -16.297 1.00 13.41 H new ATOM 0 HG23 THR A 96 11.324 -29.651 -17.424 1.00 13.41 H new ATOM 1495 N ASN A 97 13.677 -25.720 -17.911 1.00 44.41 N ATOM 1496 CA ASN A 97 13.459 -24.415 -17.296 1.00 64.32 C ATOM 1497 C ASN A 97 12.316 -23.674 -17.983 1.00 62.30 C ATOM 1498 O ASN A 97 11.655 -22.833 -17.376 1.00 51.25 O ATOM 1499 CB ASN A 97 14.738 -23.577 -17.362 1.00 72.21 C ATOM 1500 CG ASN A 97 14.532 -22.166 -16.845 1.00 74.44 C ATOM 1501 OD1 ASN A 97 13.888 -21.343 -17.496 1.00 44.13 O ATOM 1502 ND2 ASN A 97 15.078 -21.882 -15.669 1.00 44.53 N ATOM 0 H ASN A 97 14.631 -25.880 -18.234 1.00 44.41 H new ATOM 0 HA ASN A 97 13.190 -24.573 -16.252 1.00 64.32 H new ATOM 0 HB2 ASN A 97 15.519 -24.064 -16.778 1.00 72.21 H new ATOM 0 HB3 ASN A 97 15.089 -23.536 -18.393 1.00 72.21 H new ATOM 0 HD21 ASN A 97 14.972 -20.950 -15.269 1.00 44.53 H new ATOM 0 HD22 ASN A 97 15.603 -22.596 -15.165 1.00 44.53 H new ATOM 1509 N GLY A 98 12.089 -23.994 -19.254 1.00 23.35 N ATOM 1510 CA GLY A 98 11.026 -23.351 -20.002 1.00 54.30 C ATOM 1511 C GLY A 98 11.253 -21.861 -20.169 1.00 64.42 C ATOM 1512 O GLY A 98 10.301 -21.090 -20.286 1.00 44.42 O ATOM 0 H GLY A 98 12.623 -24.687 -19.778 1.00 23.35 H new ATOM 0 HA2 GLY A 98 10.945 -23.815 -20.985 1.00 54.30 H new ATOM 0 HA3 GLY A 98 10.077 -23.516 -19.493 1.00 54.30 H new ATOM 1516 N PHE A 99 12.519 -21.455 -20.179 1.00 72.51 N ATOM 1517 CA PHE A 99 12.869 -20.048 -20.330 1.00 50.04 C ATOM 1518 C PHE A 99 12.324 -19.490 -21.642 1.00 13.23 C ATOM 1519 O PHE A 99 12.086 -18.288 -21.768 1.00 22.33 O ATOM 1520 CB PHE A 99 14.388 -19.870 -20.280 1.00 32.13 C ATOM 1521 CG PHE A 99 14.825 -18.434 -20.328 1.00 21.05 C ATOM 1522 CD1 PHE A 99 14.276 -17.500 -19.465 1.00 14.43 C ATOM 1523 CD2 PHE A 99 15.785 -18.018 -21.236 1.00 24.42 C ATOM 1524 CE1 PHE A 99 14.676 -16.177 -19.506 1.00 20.22 C ATOM 1525 CE2 PHE A 99 16.190 -16.698 -21.281 1.00 41.32 C ATOM 1526 CZ PHE A 99 15.634 -15.776 -20.416 1.00 51.21 C ATOM 0 H PHE A 99 13.319 -22.081 -20.084 1.00 72.51 H new ATOM 0 HA PHE A 99 12.418 -19.497 -19.505 1.00 50.04 H new ATOM 0 HB2 PHE A 99 14.770 -20.327 -19.367 1.00 32.13 H new ATOM 0 HB3 PHE A 99 14.836 -20.406 -21.116 1.00 32.13 H new ATOM 0 HD1 PHE A 99 13.526 -17.809 -18.751 1.00 14.43 H new ATOM 0 HD2 PHE A 99 16.222 -18.734 -21.917 1.00 24.42 H new ATOM 0 HE1 PHE A 99 14.240 -15.459 -18.828 1.00 20.22 H new ATOM 0 HE2 PHE A 99 16.941 -16.387 -21.992 1.00 41.32 H new ATOM 0 HZ PHE A 99 15.948 -14.743 -20.451 1.00 51.21 H new ATOM 1536 N LYS A 100 12.128 -20.371 -22.617 1.00 10.12 N ATOM 1537 CA LYS A 100 11.610 -19.969 -23.919 1.00 43.02 C ATOM 1538 C LYS A 100 10.311 -19.184 -23.770 1.00 20.03 C ATOM 1539 O LYS A 100 10.077 -18.210 -24.484 1.00 70.44 O ATOM 1540 CB LYS A 100 11.377 -21.199 -24.800 1.00 2.31 C ATOM 1541 CG LYS A 100 10.498 -22.253 -24.151 1.00 75.43 C ATOM 1542 CD LYS A 100 10.285 -23.444 -25.071 1.00 34.22 C ATOM 1543 CE LYS A 100 9.098 -24.286 -24.627 1.00 51.20 C ATOM 1544 NZ LYS A 100 9.313 -24.881 -23.279 1.00 10.31 N ATOM 0 H LYS A 100 12.320 -21.369 -22.530 1.00 10.12 H new ATOM 0 HA LYS A 100 12.350 -19.325 -24.393 1.00 43.02 H new ATOM 0 HB2 LYS A 100 10.919 -20.883 -25.737 1.00 2.31 H new ATOM 0 HB3 LYS A 100 12.340 -21.644 -25.050 1.00 2.31 H new ATOM 0 HG2 LYS A 100 10.956 -22.588 -23.221 1.00 75.43 H new ATOM 0 HG3 LYS A 100 9.534 -21.815 -23.892 1.00 75.43 H new ATOM 0 HD2 LYS A 100 10.123 -23.093 -26.090 1.00 34.22 H new ATOM 0 HD3 LYS A 100 11.184 -24.060 -25.085 1.00 34.22 H new ATOM 0 HE2 LYS A 100 8.200 -23.668 -24.612 1.00 51.20 H new ATOM 0 HE3 LYS A 100 8.926 -25.082 -25.352 1.00 51.20 H new ATOM 0 HZ1 LYS A 100 8.505 -25.488 -23.034 1.00 10.31 H new ATOM 0 HZ2 LYS A 100 10.184 -25.450 -23.285 1.00 10.31 H new ATOM 0 HZ3 LYS A 100 9.401 -24.121 -22.574 1.00 10.31 H new ATOM 1558 N GLY A 101 9.469 -19.614 -22.835 1.00 2.14 N ATOM 1559 CA GLY A 101 8.205 -18.939 -22.608 1.00 12.23 C ATOM 1560 C GLY A 101 8.352 -17.713 -21.728 1.00 34.21 C ATOM 1561 O GLY A 101 7.866 -16.633 -22.068 1.00 63.54 O ATOM 0 H GLY A 101 9.640 -20.418 -22.231 1.00 2.14 H new ATOM 0 HA2 GLY A 101 7.776 -18.645 -23.566 1.00 12.23 H new ATOM 0 HA3 GLY A 101 7.504 -19.633 -22.144 1.00 12.23 H new ATOM 1565 N LEU A 102 9.021 -17.879 -20.592 1.00 52.04 N ATOM 1566 CA LEU A 102 9.229 -16.777 -19.659 1.00 70.12 C ATOM 1567 C LEU A 102 9.911 -15.600 -20.350 1.00 20.35 C ATOM 1568 O LEU A 102 9.633 -14.442 -20.042 1.00 0.31 O ATOM 1569 CB LEU A 102 10.070 -17.243 -18.469 1.00 43.44 C ATOM 1570 CG LEU A 102 10.546 -16.147 -17.514 1.00 71.33 C ATOM 1571 CD1 LEU A 102 9.370 -15.555 -16.753 1.00 71.04 C ATOM 1572 CD2 LEU A 102 11.586 -16.696 -16.549 1.00 21.31 C ATOM 0 H LEU A 102 9.428 -18.766 -20.295 1.00 52.04 H new ATOM 0 HA LEU A 102 8.254 -16.448 -19.300 1.00 70.12 H new ATOM 0 HB2 LEU A 102 9.487 -17.966 -17.899 1.00 43.44 H new ATOM 0 HB3 LEU A 102 10.945 -17.769 -18.851 1.00 43.44 H new ATOM 0 HG LEU A 102 11.008 -15.354 -18.102 1.00 71.33 H new ATOM 0 HD11 LEU A 102 9.728 -14.777 -16.078 1.00 71.04 H new ATOM 0 HD12 LEU A 102 8.659 -15.125 -17.459 1.00 71.04 H new ATOM 0 HD13 LEU A 102 8.879 -16.338 -16.176 1.00 71.04 H new ATOM 0 HD21 LEU A 102 11.913 -15.903 -15.877 1.00 21.31 H new ATOM 0 HD22 LEU A 102 11.150 -17.508 -15.967 1.00 21.31 H new ATOM 0 HD23 LEU A 102 12.441 -17.072 -17.111 1.00 21.31 H new ATOM 1584 N MET A 103 10.804 -15.906 -21.286 1.00 35.45 N ATOM 1585 CA MET A 103 11.523 -14.873 -22.022 1.00 74.41 C ATOM 1586 C MET A 103 10.555 -13.985 -22.797 1.00 52.21 C ATOM 1587 O MET A 103 10.638 -12.758 -22.737 1.00 11.14 O ATOM 1588 CB MET A 103 12.530 -15.509 -22.982 1.00 71.22 C ATOM 1589 CG MET A 103 13.298 -14.496 -23.815 1.00 61.14 C ATOM 1590 SD MET A 103 14.525 -13.592 -22.852 1.00 13.40 S ATOM 1591 CE MET A 103 13.673 -12.037 -22.593 1.00 60.41 C ATOM 0 H MET A 103 11.047 -16.860 -21.552 1.00 35.45 H new ATOM 0 HA MET A 103 12.059 -14.254 -21.302 1.00 74.41 H new ATOM 0 HB2 MET A 103 13.238 -16.107 -22.409 1.00 71.22 H new ATOM 0 HB3 MET A 103 12.003 -16.191 -23.649 1.00 71.22 H new ATOM 0 HG2 MET A 103 13.795 -15.010 -24.638 1.00 61.14 H new ATOM 0 HG3 MET A 103 12.596 -13.789 -24.258 1.00 61.14 H new ATOM 0 HE1 MET A 103 14.282 -11.220 -22.979 1.00 60.41 H new ATOM 0 HE2 MET A 103 12.716 -12.055 -23.115 1.00 60.41 H new ATOM 0 HE3 MET A 103 13.501 -11.889 -21.527 1.00 60.41 H new ATOM 1601 N LYS A 104 9.637 -14.612 -23.526 1.00 3.43 N ATOM 1602 CA LYS A 104 8.652 -13.879 -24.312 1.00 45.53 C ATOM 1603 C LYS A 104 7.703 -13.100 -23.407 1.00 44.10 C ATOM 1604 O LYS A 104 7.265 -12.002 -23.750 1.00 3.55 O ATOM 1605 CB LYS A 104 7.856 -14.841 -25.196 1.00 62.40 C ATOM 1606 CG LYS A 104 8.593 -15.261 -26.456 1.00 50.44 C ATOM 1607 CD LYS A 104 8.843 -14.077 -27.376 1.00 21.02 C ATOM 1608 CE LYS A 104 9.344 -14.527 -28.740 1.00 3.14 C ATOM 1609 NZ LYS A 104 9.858 -13.385 -29.546 1.00 73.21 N ATOM 0 H LYS A 104 9.555 -15.627 -23.588 1.00 3.43 H new ATOM 0 HA LYS A 104 9.185 -13.170 -24.945 1.00 45.53 H new ATOM 0 HB2 LYS A 104 7.607 -15.731 -24.618 1.00 62.40 H new ATOM 0 HB3 LYS A 104 6.914 -14.369 -25.476 1.00 62.40 H new ATOM 0 HG2 LYS A 104 9.544 -15.721 -26.186 1.00 50.44 H new ATOM 0 HG3 LYS A 104 8.012 -16.017 -26.984 1.00 50.44 H new ATOM 0 HD2 LYS A 104 7.922 -13.507 -27.496 1.00 21.02 H new ATOM 0 HD3 LYS A 104 9.574 -13.409 -26.921 1.00 21.02 H new ATOM 0 HE2 LYS A 104 10.135 -15.266 -28.611 1.00 3.14 H new ATOM 0 HE3 LYS A 104 8.535 -15.018 -29.280 1.00 3.14 H new ATOM 0 HZ1 LYS A 104 10.190 -13.733 -30.468 1.00 73.21 H new ATOM 0 HZ2 LYS A 104 9.096 -12.692 -29.691 1.00 73.21 H new ATOM 0 HZ3 LYS A 104 10.647 -12.932 -29.042 1.00 73.21 H new ATOM 1623 N ARG A 105 7.391 -13.675 -22.250 1.00 61.03 N ATOM 1624 CA ARG A 105 6.494 -13.034 -21.296 1.00 62.21 C ATOM 1625 C ARG A 105 7.191 -11.876 -20.588 1.00 24.43 C ATOM 1626 O ARG A 105 6.546 -10.925 -20.147 1.00 4.45 O ATOM 1627 CB ARG A 105 5.999 -14.052 -20.267 1.00 12.22 C ATOM 1628 CG ARG A 105 4.657 -14.671 -20.620 1.00 74.31 C ATOM 1629 CD ARG A 105 4.532 -16.082 -20.067 1.00 75.43 C ATOM 1630 NE ARG A 105 3.240 -16.684 -20.389 1.00 1.20 N ATOM 1631 CZ ARG A 105 2.792 -17.804 -19.832 1.00 52.54 C ATOM 1632 NH1 ARG A 105 3.527 -18.440 -18.931 1.00 13.12 N ATOM 1633 NH2 ARG A 105 1.606 -18.289 -20.177 1.00 52.51 N ATOM 0 H ARG A 105 7.746 -14.583 -21.951 1.00 61.03 H new ATOM 0 HA ARG A 105 5.640 -12.639 -21.846 1.00 62.21 H new ATOM 0 HB2 ARG A 105 6.740 -14.845 -20.167 1.00 12.22 H new ATOM 0 HB3 ARG A 105 5.920 -13.565 -19.295 1.00 12.22 H new ATOM 0 HG2 ARG A 105 3.853 -14.051 -20.223 1.00 74.31 H new ATOM 0 HG3 ARG A 105 4.538 -14.692 -21.703 1.00 74.31 H new ATOM 0 HD2 ARG A 105 5.332 -16.702 -20.472 1.00 75.43 H new ATOM 0 HD3 ARG A 105 4.662 -16.060 -18.985 1.00 75.43 H new ATOM 0 HE ARG A 105 2.650 -16.219 -21.079 1.00 1.20 H new ATOM 0 HH11 ARG A 105 4.439 -18.070 -18.664 1.00 13.12 H new ATOM 0 HH12 ARG A 105 3.181 -19.300 -18.505 1.00 13.12 H new ATOM 0 HH21 ARG A 105 1.038 -17.802 -20.870 1.00 52.51 H new ATOM 0 HH22 ARG A 105 1.263 -19.149 -19.749 1.00 52.51 H new ATOM 1647 N THR A 106 8.514 -11.964 -20.481 1.00 72.44 N ATOM 1648 CA THR A 106 9.299 -10.926 -19.826 1.00 34.14 C ATOM 1649 C THR A 106 9.615 -9.786 -20.787 1.00 21.30 C ATOM 1650 O THR A 106 9.400 -8.615 -20.471 1.00 70.44 O ATOM 1651 CB THR A 106 10.617 -11.490 -19.263 1.00 43.54 C ATOM 1652 OG1 THR A 106 11.313 -12.217 -20.282 1.00 32.22 O ATOM 1653 CG2 THR A 106 10.353 -12.400 -18.073 1.00 43.43 C ATOM 0 H THR A 106 9.064 -12.745 -20.840 1.00 72.44 H new ATOM 0 HA THR A 106 8.695 -10.545 -19.003 1.00 34.14 H new ATOM 0 HB THR A 106 11.231 -10.654 -18.930 1.00 43.54 H new ATOM 0 HG1 THR A 106 12.208 -12.454 -19.961 1.00 32.22 H new ATOM 0 HG21 THR A 106 11.299 -12.786 -17.693 1.00 43.43 H new ATOM 0 HG22 THR A 106 9.850 -11.836 -17.288 1.00 43.43 H new ATOM 0 HG23 THR A 106 9.721 -13.232 -18.384 1.00 43.43 H new ATOM 1661 N THR A 107 10.127 -10.135 -21.963 1.00 60.13 N ATOM 1662 CA THR A 107 10.474 -9.141 -22.971 1.00 74.11 C ATOM 1663 C THR A 107 9.307 -8.196 -23.235 1.00 60.13 C ATOM 1664 O THR A 107 9.503 -7.008 -23.493 1.00 34.11 O ATOM 1665 CB THR A 107 10.891 -9.806 -24.296 1.00 72.43 C ATOM 1666 OG1 THR A 107 11.274 -8.807 -25.247 1.00 40.50 O ATOM 1667 CG2 THR A 107 9.754 -10.643 -24.863 1.00 71.21 C ATOM 0 H THR A 107 10.311 -11.099 -22.241 1.00 60.13 H new ATOM 0 HA THR A 107 11.317 -8.573 -22.578 1.00 74.11 H new ATOM 0 HB THR A 107 11.739 -10.461 -24.096 1.00 72.43 H new ATOM 0 HG1 THR A 107 11.539 -9.239 -26.086 1.00 40.50 H new ATOM 0 HG21 THR A 107 10.072 -11.103 -25.799 1.00 71.21 H new ATOM 0 HG22 THR A 107 9.484 -11.422 -24.149 1.00 71.21 H new ATOM 0 HG23 THR A 107 8.890 -10.005 -25.048 1.00 71.21 H new ATOM 1675 N LYS A 108 8.092 -8.730 -23.169 1.00 63.42 N ATOM 1676 CA LYS A 108 6.892 -7.935 -23.399 1.00 44.43 C ATOM 1677 C LYS A 108 6.891 -6.686 -22.523 1.00 21.22 C ATOM 1678 O LYS A 108 6.651 -5.578 -23.004 1.00 5.23 O ATOM 1679 CB LYS A 108 5.641 -8.769 -23.119 1.00 14.05 C ATOM 1680 CG LYS A 108 4.345 -8.060 -23.474 1.00 31.24 C ATOM 1681 CD LYS A 108 4.023 -8.194 -24.953 1.00 21.45 C ATOM 1682 CE LYS A 108 2.706 -7.518 -25.300 1.00 10.21 C ATOM 1683 NZ LYS A 108 2.577 -7.273 -26.763 1.00 42.12 N ATOM 0 H LYS A 108 7.913 -9.712 -22.958 1.00 63.42 H new ATOM 0 HA LYS A 108 6.887 -7.624 -24.444 1.00 44.43 H new ATOM 0 HB2 LYS A 108 5.702 -9.700 -23.682 1.00 14.05 H new ATOM 0 HB3 LYS A 108 5.622 -9.036 -22.062 1.00 14.05 H new ATOM 0 HG2 LYS A 108 3.528 -8.476 -22.884 1.00 31.24 H new ATOM 0 HG3 LYS A 108 4.423 -7.005 -23.212 1.00 31.24 H new ATOM 0 HD2 LYS A 108 4.826 -7.752 -25.543 1.00 21.45 H new ATOM 0 HD3 LYS A 108 3.973 -9.249 -25.222 1.00 21.45 H new ATOM 0 HE2 LYS A 108 1.878 -8.141 -24.962 1.00 10.21 H new ATOM 0 HE3 LYS A 108 2.632 -6.571 -24.765 1.00 10.21 H new ATOM 0 HZ1 LYS A 108 1.666 -6.811 -26.959 1.00 42.12 H new ATOM 0 HZ2 LYS A 108 3.353 -6.658 -27.082 1.00 42.12 H new ATOM 0 HZ3 LYS A 108 2.622 -8.179 -27.272 1.00 42.12 H new ATOM 1697 N LEU A 109 7.161 -6.872 -21.236 1.00 24.54 N ATOM 1698 CA LEU A 109 7.193 -5.761 -20.292 1.00 1.43 C ATOM 1699 C LEU A 109 8.484 -4.961 -20.435 1.00 24.41 C ATOM 1700 O LEU A 109 8.477 -3.732 -20.367 1.00 52.51 O ATOM 1701 CB LEU A 109 7.056 -6.278 -18.859 1.00 24.22 C ATOM 1702 CG LEU A 109 5.688 -6.844 -18.477 1.00 41.11 C ATOM 1703 CD1 LEU A 109 5.741 -7.483 -17.098 1.00 75.43 C ATOM 1704 CD2 LEU A 109 4.629 -5.752 -18.521 1.00 33.32 C ATOM 0 H LEU A 109 7.361 -7.782 -20.822 1.00 24.54 H new ATOM 0 HA LEU A 109 6.353 -5.103 -20.516 1.00 1.43 H new ATOM 0 HB2 LEU A 109 7.805 -7.054 -18.701 1.00 24.22 H new ATOM 0 HB3 LEU A 109 7.293 -5.463 -18.176 1.00 24.22 H new ATOM 0 HG LEU A 109 5.419 -7.613 -19.201 1.00 41.11 H new ATOM 0 HD11 LEU A 109 4.759 -7.880 -16.843 1.00 75.43 H new ATOM 0 HD12 LEU A 109 6.471 -8.293 -17.100 1.00 75.43 H new ATOM 0 HD13 LEU A 109 6.032 -6.734 -16.361 1.00 75.43 H new ATOM 0 HD21 LEU A 109 3.661 -6.172 -18.246 1.00 33.32 H new ATOM 0 HD22 LEU A 109 4.893 -4.961 -17.820 1.00 33.32 H new ATOM 0 HD23 LEU A 109 4.573 -5.340 -19.529 1.00 33.32 H new ATOM 1716 N LEU A 110 9.592 -5.667 -20.635 1.00 73.42 N ATOM 1717 CA LEU A 110 10.892 -5.024 -20.791 1.00 13.02 C ATOM 1718 C LEU A 110 10.880 -4.050 -21.964 1.00 41.42 C ATOM 1719 O LEU A 110 11.610 -3.058 -21.970 1.00 21.24 O ATOM 1720 CB LEU A 110 11.982 -6.077 -20.998 1.00 2.51 C ATOM 1721 CG LEU A 110 12.697 -6.559 -19.736 1.00 23.45 C ATOM 1722 CD1 LEU A 110 13.590 -5.463 -19.175 1.00 60.13 C ATOM 1723 CD2 LEU A 110 11.688 -7.013 -18.691 1.00 72.53 C ATOM 0 H LEU A 110 9.616 -6.685 -20.693 1.00 73.42 H new ATOM 0 HA LEU A 110 11.105 -4.464 -19.880 1.00 13.02 H new ATOM 0 HB2 LEU A 110 11.536 -6.941 -21.491 1.00 2.51 H new ATOM 0 HB3 LEU A 110 12.728 -5.670 -21.681 1.00 2.51 H new ATOM 0 HG LEU A 110 13.324 -7.410 -20.001 1.00 23.45 H new ATOM 0 HD11 LEU A 110 14.090 -5.825 -18.277 1.00 60.13 H new ATOM 0 HD12 LEU A 110 14.336 -5.185 -19.919 1.00 60.13 H new ATOM 0 HD13 LEU A 110 12.984 -4.592 -18.926 1.00 60.13 H new ATOM 0 HD21 LEU A 110 12.215 -7.353 -17.800 1.00 72.53 H new ATOM 0 HD22 LEU A 110 11.034 -6.181 -18.431 1.00 72.53 H new ATOM 0 HD23 LEU A 110 11.091 -7.831 -19.093 1.00 72.53 H new ATOM 1735 N LYS A 111 10.045 -4.337 -22.957 1.00 11.01 N ATOM 1736 CA LYS A 111 9.934 -3.485 -24.135 1.00 62.21 C ATOM 1737 C LYS A 111 9.228 -2.177 -23.796 1.00 53.41 C ATOM 1738 O LYS A 111 9.446 -1.154 -24.447 1.00 30.34 O ATOM 1739 CB LYS A 111 9.176 -4.214 -25.247 1.00 14.51 C ATOM 1740 CG LYS A 111 10.033 -5.195 -26.026 1.00 63.32 C ATOM 1741 CD LYS A 111 10.891 -4.487 -27.061 1.00 41.03 C ATOM 1742 CE LYS A 111 10.165 -4.357 -28.392 1.00 5.43 C ATOM 1743 NZ LYS A 111 9.331 -3.125 -28.450 1.00 0.40 N ATOM 0 H LYS A 111 9.435 -5.154 -22.969 1.00 11.01 H new ATOM 0 HA LYS A 111 10.941 -3.254 -24.482 1.00 62.21 H new ATOM 0 HB2 LYS A 111 8.333 -4.749 -24.810 1.00 14.51 H new ATOM 0 HB3 LYS A 111 8.763 -3.478 -25.937 1.00 14.51 H new ATOM 0 HG2 LYS A 111 10.673 -5.747 -25.338 1.00 63.32 H new ATOM 0 HG3 LYS A 111 9.393 -5.925 -26.521 1.00 63.32 H new ATOM 0 HD2 LYS A 111 11.162 -3.497 -26.695 1.00 41.03 H new ATOM 0 HD3 LYS A 111 11.820 -5.039 -27.204 1.00 41.03 H new ATOM 0 HE2 LYS A 111 10.893 -4.341 -29.203 1.00 5.43 H new ATOM 0 HE3 LYS A 111 9.533 -5.231 -28.548 1.00 5.43 H new ATOM 0 HZ1 LYS A 111 9.229 -2.821 -29.439 1.00 0.40 H new ATOM 0 HZ2 LYS A 111 8.392 -3.323 -28.050 1.00 0.40 H new ATOM 0 HZ3 LYS A 111 9.789 -2.370 -27.901 1.00 0.40 H new ATOM 1757 N LYS A 112 8.381 -2.215 -22.773 1.00 11.41 N ATOM 1758 CA LYS A 112 7.644 -1.032 -22.345 1.00 11.43 C ATOM 1759 C LYS A 112 8.594 0.046 -21.833 1.00 24.13 C ATOM 1760 O LYS A 112 8.321 1.240 -21.958 1.00 33.33 O ATOM 1761 CB LYS A 112 6.638 -1.400 -21.252 1.00 73.11 C ATOM 1762 CG LYS A 112 5.745 -2.574 -21.618 1.00 4.44 C ATOM 1763 CD LYS A 112 4.845 -2.243 -22.796 1.00 72.41 C ATOM 1764 CE LYS A 112 3.675 -1.367 -22.375 1.00 42.24 C ATOM 1765 NZ LYS A 112 2.566 -2.167 -21.787 1.00 74.22 N ATOM 0 H LYS A 112 8.188 -3.053 -22.225 1.00 11.41 H new ATOM 0 HA LYS A 112 7.107 -0.638 -23.208 1.00 11.43 H new ATOM 0 HB2 LYS A 112 7.180 -1.638 -20.336 1.00 73.11 H new ATOM 0 HB3 LYS A 112 6.014 -0.533 -21.037 1.00 73.11 H new ATOM 0 HG2 LYS A 112 6.361 -3.439 -21.862 1.00 4.44 H new ATOM 0 HG3 LYS A 112 5.134 -2.850 -20.758 1.00 4.44 H new ATOM 0 HD2 LYS A 112 5.424 -1.733 -23.566 1.00 72.41 H new ATOM 0 HD3 LYS A 112 4.469 -3.166 -23.239 1.00 72.41 H new ATOM 0 HE2 LYS A 112 4.016 -0.630 -21.648 1.00 42.24 H new ATOM 0 HE3 LYS A 112 3.306 -0.815 -23.239 1.00 42.24 H new ATOM 0 HZ1 LYS A 112 1.677 -1.632 -21.857 1.00 74.22 H new ATOM 0 HZ2 LYS A 112 2.472 -3.064 -22.306 1.00 74.22 H new ATOM 0 HZ3 LYS A 112 2.773 -2.365 -20.787 1.00 74.22 H new ATOM 1779 N VAL A 113 9.713 -0.383 -21.257 1.00 62.12 N ATOM 1780 CA VAL A 113 10.706 0.545 -20.729 1.00 13.22 C ATOM 1781 C VAL A 113 11.536 1.159 -21.850 1.00 50.14 C ATOM 1782 O VAL A 113 12.073 2.258 -21.710 1.00 52.01 O ATOM 1783 CB VAL A 113 11.648 -0.150 -19.729 1.00 23.33 C ATOM 1784 CG1 VAL A 113 12.539 0.870 -19.036 1.00 35.03 C ATOM 1785 CG2 VAL A 113 10.849 -0.951 -18.712 1.00 13.53 C ATOM 0 H VAL A 113 9.954 -1.368 -21.144 1.00 62.12 H new ATOM 0 HA VAL A 113 10.159 1.334 -20.213 1.00 13.22 H new ATOM 0 HB VAL A 113 12.287 -0.840 -20.279 1.00 23.33 H new ATOM 0 HG11 VAL A 113 13.198 0.360 -18.333 1.00 35.03 H new ATOM 0 HG12 VAL A 113 13.139 1.394 -19.780 1.00 35.03 H new ATOM 0 HG13 VAL A 113 11.920 1.588 -18.498 1.00 35.03 H new ATOM 0 HG21 VAL A 113 11.531 -1.435 -18.013 1.00 13.53 H new ATOM 0 HG22 VAL A 113 10.183 -0.283 -18.165 1.00 13.53 H new ATOM 0 HG23 VAL A 113 10.259 -1.709 -19.228 1.00 13.53 H new ATOM 1795 N VAL A 114 11.637 0.442 -22.965 1.00 62.20 N ATOM 1796 CA VAL A 114 12.401 0.916 -24.113 1.00 10.43 C ATOM 1797 C VAL A 114 11.933 2.300 -24.550 1.00 61.23 C ATOM 1798 O VAL A 114 12.745 3.190 -24.804 1.00 62.52 O ATOM 1799 CB VAL A 114 12.285 -0.053 -25.304 1.00 31.32 C ATOM 1800 CG1 VAL A 114 13.043 0.486 -26.507 1.00 72.04 C ATOM 1801 CG2 VAL A 114 12.794 -1.434 -24.918 1.00 13.11 C ATOM 0 H VAL A 114 11.199 -0.470 -23.098 1.00 62.20 H new ATOM 0 HA VAL A 114 13.443 0.970 -23.799 1.00 10.43 H new ATOM 0 HB VAL A 114 11.233 -0.141 -25.577 1.00 31.32 H new ATOM 0 HG11 VAL A 114 12.950 -0.212 -27.339 1.00 72.04 H new ATOM 0 HG12 VAL A 114 12.628 1.452 -26.796 1.00 72.04 H new ATOM 0 HG13 VAL A 114 14.096 0.606 -26.250 1.00 72.04 H new ATOM 0 HG21 VAL A 114 12.705 -2.106 -25.771 1.00 13.11 H new ATOM 0 HG22 VAL A 114 13.840 -1.366 -24.618 1.00 13.11 H new ATOM 0 HG23 VAL A 114 12.203 -1.821 -24.088 1.00 13.11 H new ATOM 1811 N ASP A 115 10.619 2.474 -24.636 1.00 31.02 N ATOM 1812 CA ASP A 115 10.042 3.750 -25.041 1.00 54.32 C ATOM 1813 C ASP A 115 10.225 4.801 -23.950 1.00 71.32 C ATOM 1814 O ASP A 115 9.978 5.987 -24.167 1.00 55.14 O ATOM 1815 CB ASP A 115 8.555 3.583 -25.361 1.00 44.43 C ATOM 1816 CG ASP A 115 7.907 4.884 -25.793 1.00 74.35 C ATOM 1817 OD1 ASP A 115 8.530 5.624 -26.582 1.00 61.24 O ATOM 1818 OD2 ASP A 115 6.776 5.162 -25.342 1.00 74.40 O ATOM 0 H ASP A 115 9.933 1.747 -24.431 1.00 31.02 H new ATOM 0 HA ASP A 115 10.563 4.088 -25.937 1.00 54.32 H new ATOM 0 HB2 ASP A 115 8.437 2.842 -26.151 1.00 44.43 H new ATOM 0 HB3 ASP A 115 8.038 3.197 -24.482 1.00 44.43 H new ATOM 1823 N LYS A 116 10.659 4.357 -22.776 1.00 20.44 N ATOM 1824 CA LYS A 116 10.876 5.257 -21.649 1.00 60.04 C ATOM 1825 C LYS A 116 12.331 5.711 -21.588 1.00 71.03 C ATOM 1826 O LYS A 116 12.620 6.908 -21.607 1.00 75.02 O ATOM 1827 CB LYS A 116 10.490 4.569 -20.338 1.00 52.01 C ATOM 1828 CG LYS A 116 9.115 4.963 -19.827 1.00 31.34 C ATOM 1829 CD LYS A 116 8.059 3.944 -20.224 1.00 5.21 C ATOM 1830 CE LYS A 116 7.337 4.358 -21.496 1.00 55.25 C ATOM 1831 NZ LYS A 116 6.040 5.030 -21.204 1.00 71.34 N ATOM 0 H LYS A 116 10.868 3.378 -22.579 1.00 20.44 H new ATOM 0 HA LYS A 116 10.245 6.135 -21.791 1.00 60.04 H new ATOM 0 HB2 LYS A 116 10.519 3.489 -20.482 1.00 52.01 H new ATOM 0 HB3 LYS A 116 11.234 4.810 -19.578 1.00 52.01 H new ATOM 0 HG2 LYS A 116 9.142 5.056 -18.741 1.00 31.34 H new ATOM 0 HG3 LYS A 116 8.845 5.942 -20.224 1.00 31.34 H new ATOM 0 HD2 LYS A 116 8.528 2.971 -20.370 1.00 5.21 H new ATOM 0 HD3 LYS A 116 7.337 3.832 -19.415 1.00 5.21 H new ATOM 0 HE2 LYS A 116 7.973 5.030 -22.072 1.00 55.25 H new ATOM 0 HE3 LYS A 116 7.159 3.479 -22.115 1.00 55.25 H new ATOM 0 HZ1 LYS A 116 5.579 5.297 -22.097 1.00 71.34 H new ATOM 0 HZ2 LYS A 116 5.423 4.380 -20.676 1.00 71.34 H new ATOM 0 HZ3 LYS A 116 6.212 5.883 -20.635 1.00 71.34 H new ATOM 1845 N HIS A 117 13.244 4.748 -21.516 1.00 62.23 N ATOM 1846 CA HIS A 117 14.670 5.049 -21.455 1.00 0.23 C ATOM 1847 C HIS A 117 15.422 4.351 -22.583 1.00 62.25 C ATOM 1848 O HIS A 117 16.488 4.799 -23.003 1.00 4.13 O ATOM 1849 CB HIS A 117 15.245 4.624 -20.103 1.00 72.43 C ATOM 1850 CG HIS A 117 14.715 5.419 -18.950 1.00 22.21 C ATOM 1851 ND1 HIS A 117 15.110 6.713 -18.683 1.00 62.24 N ATOM 1852 CD2 HIS A 117 13.815 5.097 -17.992 1.00 30.12 C ATOM 1853 CE1 HIS A 117 14.477 7.152 -17.610 1.00 61.22 C ATOM 1854 NE2 HIS A 117 13.685 6.190 -17.171 1.00 53.45 N ATOM 0 H HIS A 117 13.022 3.753 -21.498 1.00 62.23 H new ATOM 0 HA HIS A 117 14.794 6.126 -21.572 1.00 0.23 H new ATOM 0 HB2 HIS A 117 15.024 3.569 -19.939 1.00 72.43 H new ATOM 0 HB3 HIS A 117 16.330 4.721 -20.132 1.00 72.43 H new ATOM 0 HD2 HIS A 117 13.296 4.155 -17.892 1.00 30.12 H new ATOM 0 HE1 HIS A 117 14.588 8.131 -17.167 1.00 61.22 H new ATOM 0 HE2 HIS A 117 13.076 6.249 -16.355 1.00 53.45 H new ATOM 1862 N GLY A 118 14.859 3.249 -23.071 1.00 1.21 N ATOM 1863 CA GLY A 118 15.491 2.506 -24.146 1.00 11.43 C ATOM 1864 C GLY A 118 16.257 1.298 -23.644 1.00 13.55 C ATOM 1865 O GLY A 118 17.321 0.968 -24.168 1.00 10.34 O ATOM 0 H GLY A 118 13.977 2.858 -22.741 1.00 1.21 H new ATOM 0 HA2 GLY A 118 14.730 2.181 -24.855 1.00 11.43 H new ATOM 0 HA3 GLY A 118 16.171 3.164 -24.688 1.00 11.43 H new ATOM 1869 N ILE A 119 15.716 0.639 -22.625 1.00 20.23 N ATOM 1870 CA ILE A 119 16.356 -0.539 -22.052 1.00 3.32 C ATOM 1871 C ILE A 119 16.443 -1.669 -23.072 1.00 53.30 C ATOM 1872 O ILE A 119 15.424 -2.185 -23.529 1.00 75.12 O ATOM 1873 CB ILE A 119 15.600 -1.042 -20.808 1.00 51.31 C ATOM 1874 CG1 ILE A 119 15.548 0.051 -19.739 1.00 4.42 C ATOM 1875 CG2 ILE A 119 16.260 -2.297 -20.258 1.00 63.34 C ATOM 1876 CD1 ILE A 119 16.914 0.540 -19.308 1.00 54.21 C ATOM 0 H ILE A 119 14.837 0.900 -22.179 1.00 20.23 H new ATOM 0 HA ILE A 119 17.362 -0.240 -21.759 1.00 3.32 H new ATOM 0 HB ILE A 119 14.579 -1.290 -21.098 1.00 51.31 H new ATOM 0 HG12 ILE A 119 14.973 0.894 -20.121 1.00 4.42 H new ATOM 0 HG13 ILE A 119 15.015 -0.329 -18.867 1.00 4.42 H new ATOM 0 HG21 ILE A 119 15.714 -2.640 -19.379 1.00 63.34 H new ATOM 0 HG22 ILE A 119 16.249 -3.077 -21.019 1.00 63.34 H new ATOM 0 HG23 ILE A 119 17.290 -2.075 -19.981 1.00 63.34 H new ATOM 0 HD11 ILE A 119 16.801 1.314 -18.549 1.00 54.21 H new ATOM 0 HD12 ILE A 119 17.485 -0.292 -18.896 1.00 54.21 H new ATOM 0 HD13 ILE A 119 17.442 0.951 -20.169 1.00 54.21 H new ATOM 1888 N ALA A 120 17.667 -2.049 -23.423 1.00 73.13 N ATOM 1889 CA ALA A 120 17.887 -3.121 -24.386 1.00 54.25 C ATOM 1890 C ALA A 120 18.220 -4.432 -23.682 1.00 42.35 C ATOM 1891 O ALA A 120 18.956 -4.447 -22.694 1.00 75.15 O ATOM 1892 CB ALA A 120 18.998 -2.741 -25.354 1.00 21.23 C ATOM 0 H ALA A 120 18.521 -1.631 -23.055 1.00 73.13 H new ATOM 0 HA ALA A 120 16.965 -3.266 -24.948 1.00 54.25 H new ATOM 0 HB1 ALA A 120 19.152 -3.551 -26.067 1.00 21.23 H new ATOM 0 HB2 ALA A 120 18.719 -1.833 -25.889 1.00 21.23 H new ATOM 0 HB3 ALA A 120 19.920 -2.566 -24.799 1.00 21.23 H new