USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=20 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 -140:sc= -0.297 (180deg=-0.54) USER MOD Set 1.2: A 106 THR OG1 : rot 91:sc= -0.249 USER MOD Set 2.1: A 82 LYS NZ :NH3+ 171:sc= 0.00649 (180deg=0) USER MOD Set 2.2: A 97 ASN : amide:sc= -0.456 K(o=-0.45,f=-1.9) USER MOD Single : A 3 SER OG : rot 36:sc= 0.191 USER MOD Single : A 4 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.26) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0201) USER MOD Single : A 23 TYR OH : rot 58:sc= -0.441 USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0516) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0721) USER MOD Single : A 30 LYS NZ :NH3+ -128:sc= -0.0538 (180deg=-1.68!) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0448) USER MOD Single : A 32 ASN : amide:sc= -1.3 K(o=-1.3,f=0.4) USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.229) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -139:sc= -3.11 (180deg=-7.85!) USER MOD Single : A 44 ASN : amide:sc= -2.07 K(o=-2.1,f=-3.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.021 USER MOD Single : A 61 GLN : amide:sc= -0.0933 K(o=-0.093,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.033) USER MOD Single : A 73 SER OG : rot -170:sc= -0.701 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.041) USER MOD Single : A 95 ASN : amide:sc= 0.188 K(o=0.19,f=-1.8!) USER MOD Single : A 96 THR OG1 : rot 160:sc= -0.132 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -157:sc= 1.15 (180deg=0.555) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.672 K(o=-0.67,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 3.144 0.230 1.023 1.00 72.34 N ATOM 2 CA SER A 3 3.308 0.609 -0.376 1.00 10.33 C ATOM 3 C SER A 3 2.299 -0.120 -1.258 1.00 44.44 C ATOM 4 O SER A 3 1.805 -1.188 -0.903 1.00 21.45 O ATOM 5 CB SER A 3 4.731 0.301 -0.846 1.00 52.31 C ATOM 6 OG SER A 3 5.691 0.843 0.044 1.00 32.15 O ATOM 0 HA SER A 3 3.130 1.681 -0.460 1.00 10.33 H new ATOM 0 HB2 SER A 3 4.867 -0.778 -0.920 1.00 52.31 H new ATOM 0 HB3 SER A 3 4.884 0.711 -1.844 1.00 52.31 H new ATOM 0 HG SER A 3 5.355 0.785 0.963 1.00 32.15 H new ATOM 12 N ASN A 4 1.999 0.468 -2.412 1.00 62.23 N ATOM 13 CA ASN A 4 1.049 -0.124 -3.347 1.00 21.40 C ATOM 14 C ASN A 4 1.752 -1.086 -4.301 1.00 34.04 C ATOM 15 O ASN A 4 1.181 -2.096 -4.712 1.00 52.53 O ATOM 16 CB ASN A 4 0.335 0.970 -4.143 1.00 2.12 C ATOM 17 CG ASN A 4 1.150 1.447 -5.330 1.00 21.14 C ATOM 18 OD1 ASN A 4 0.874 1.083 -6.473 1.00 13.32 O ATOM 19 ND2 ASN A 4 2.161 2.265 -5.062 1.00 41.43 N ATOM 0 H ASN A 4 2.400 1.353 -2.722 1.00 62.23 H new ATOM 0 HA ASN A 4 0.312 -0.684 -2.771 1.00 21.40 H new ATOM 0 HB2 ASN A 4 -0.626 0.592 -4.494 1.00 2.12 H new ATOM 0 HB3 ASN A 4 0.125 1.815 -3.487 1.00 2.12 H new ATOM 0 HD21 ASN A 4 2.746 2.618 -5.819 1.00 41.43 H new ATOM 0 HD22 ASN A 4 2.353 2.540 -4.099 1.00 41.43 H new ATOM 26 N ALA A 5 2.994 -0.765 -4.647 1.00 31.21 N ATOM 27 CA ALA A 5 3.776 -1.601 -5.549 1.00 75.44 C ATOM 28 C ALA A 5 4.746 -2.487 -4.775 1.00 41.21 C ATOM 29 O ALA A 5 5.665 -3.069 -5.350 1.00 53.24 O ATOM 30 CB ALA A 5 4.529 -0.737 -6.550 1.00 23.45 C ATOM 0 H ALA A 5 3.480 0.068 -4.316 1.00 31.21 H new ATOM 0 HA ALA A 5 3.088 -2.250 -6.091 1.00 75.44 H new ATOM 0 HB1 ALA A 5 5.109 -1.375 -7.217 1.00 23.45 H new ATOM 0 HB2 ALA A 5 3.818 -0.153 -7.134 1.00 23.45 H new ATOM 0 HB3 ALA A 5 5.201 -0.064 -6.017 1.00 23.45 H new ATOM 36 N GLY A 6 4.536 -2.583 -3.466 1.00 23.44 N ATOM 37 CA GLY A 6 5.402 -3.399 -2.634 1.00 34.11 C ATOM 38 C GLY A 6 5.456 -4.842 -3.094 1.00 71.33 C ATOM 39 O GLY A 6 6.404 -5.564 -2.786 1.00 33.02 O ATOM 0 H GLY A 6 3.782 -2.111 -2.967 1.00 23.44 H new ATOM 0 HA2 GLY A 6 6.408 -2.980 -2.642 1.00 34.11 H new ATOM 0 HA3 GLY A 6 5.050 -3.362 -1.603 1.00 34.11 H new ATOM 43 N ALA A 7 4.435 -5.265 -3.833 1.00 43.24 N ATOM 44 CA ALA A 7 4.371 -6.631 -4.337 1.00 71.11 C ATOM 45 C ALA A 7 5.506 -6.909 -5.317 1.00 54.12 C ATOM 46 O ALA A 7 6.239 -7.887 -5.171 1.00 72.41 O ATOM 47 CB ALA A 7 3.025 -6.887 -4.999 1.00 11.31 C ATOM 0 H ALA A 7 3.641 -4.681 -4.096 1.00 43.24 H new ATOM 0 HA ALA A 7 4.482 -7.309 -3.491 1.00 71.11 H new ATOM 0 HB1 ALA A 7 2.991 -7.911 -5.371 1.00 11.31 H new ATOM 0 HB2 ALA A 7 2.227 -6.739 -4.271 1.00 11.31 H new ATOM 0 HB3 ALA A 7 2.891 -6.195 -5.830 1.00 11.31 H new ATOM 53 N ILE A 8 5.644 -6.043 -6.316 1.00 20.24 N ATOM 54 CA ILE A 8 6.690 -6.196 -7.319 1.00 60.12 C ATOM 55 C ILE A 8 8.075 -6.123 -6.685 1.00 50.13 C ATOM 56 O ILE A 8 8.983 -6.861 -7.066 1.00 71.03 O ATOM 57 CB ILE A 8 6.581 -5.119 -8.414 1.00 44.43 C ATOM 58 CG1 ILE A 8 5.204 -5.172 -9.078 1.00 11.10 C ATOM 59 CG2 ILE A 8 7.681 -5.302 -9.449 1.00 65.40 C ATOM 60 CD1 ILE A 8 4.226 -4.161 -8.522 1.00 53.10 C ATOM 0 H ILE A 8 5.045 -5.229 -6.452 1.00 20.24 H new ATOM 0 HA ILE A 8 6.552 -7.178 -7.772 1.00 60.12 H new ATOM 0 HB ILE A 8 6.703 -4.139 -7.952 1.00 44.43 H new ATOM 0 HG12 ILE A 8 5.319 -5.003 -10.149 1.00 11.10 H new ATOM 0 HG13 ILE A 8 4.789 -6.172 -8.956 1.00 11.10 H new ATOM 0 HG21 ILE A 8 7.590 -4.533 -10.216 1.00 65.40 H new ATOM 0 HG22 ILE A 8 8.654 -5.218 -8.965 1.00 65.40 H new ATOM 0 HG23 ILE A 8 7.588 -6.286 -9.909 1.00 65.40 H new ATOM 0 HD11 ILE A 8 3.271 -4.256 -9.039 1.00 53.10 H new ATOM 0 HD12 ILE A 8 4.081 -4.342 -7.457 1.00 53.10 H new ATOM 0 HD13 ILE A 8 4.620 -3.155 -8.669 1.00 53.10 H new ATOM 72 N ALA A 9 8.229 -5.229 -5.714 1.00 52.32 N ATOM 73 CA ALA A 9 9.502 -5.062 -5.024 1.00 52.32 C ATOM 74 C ALA A 9 9.782 -6.239 -4.096 1.00 70.05 C ATOM 75 O ALA A 9 10.936 -6.598 -3.863 1.00 3.13 O ATOM 76 CB ALA A 9 9.511 -3.757 -4.242 1.00 14.24 C ATOM 0 H ALA A 9 7.488 -4.609 -5.387 1.00 52.32 H new ATOM 0 HA ALA A 9 10.292 -5.029 -5.774 1.00 52.32 H new ATOM 0 HB1 ALA A 9 10.468 -3.645 -3.732 1.00 14.24 H new ATOM 0 HB2 ALA A 9 9.365 -2.922 -4.927 1.00 14.24 H new ATOM 0 HB3 ALA A 9 8.707 -3.768 -3.507 1.00 14.24 H new ATOM 82 N LYS A 10 8.719 -6.837 -3.569 1.00 51.22 N ATOM 83 CA LYS A 10 8.849 -7.975 -2.667 1.00 4.42 C ATOM 84 C LYS A 10 9.436 -9.181 -3.393 1.00 45.42 C ATOM 85 O LYS A 10 9.862 -10.150 -2.764 1.00 65.22 O ATOM 86 CB LYS A 10 7.487 -8.338 -2.071 1.00 25.10 C ATOM 87 CG LYS A 10 7.560 -9.406 -0.993 1.00 45.13 C ATOM 88 CD LYS A 10 8.400 -8.949 0.188 1.00 21.41 C ATOM 89 CE LYS A 10 7.812 -7.709 0.844 1.00 70.42 C ATOM 90 NZ LYS A 10 8.392 -7.468 2.194 1.00 33.10 N ATOM 0 H LYS A 10 7.757 -6.552 -3.751 1.00 51.22 H new ATOM 0 HA LYS A 10 9.527 -7.693 -1.862 1.00 4.42 H new ATOM 0 HB2 LYS A 10 7.033 -7.441 -1.651 1.00 25.10 H new ATOM 0 HB3 LYS A 10 6.831 -8.684 -2.870 1.00 25.10 H new ATOM 0 HG2 LYS A 10 6.554 -9.650 -0.652 1.00 45.13 H new ATOM 0 HG3 LYS A 10 7.985 -10.318 -1.412 1.00 45.13 H new ATOM 0 HD2 LYS A 10 8.467 -9.753 0.921 1.00 21.41 H new ATOM 0 HD3 LYS A 10 9.416 -8.738 -0.147 1.00 21.41 H new ATOM 0 HE2 LYS A 10 7.995 -6.841 0.210 1.00 70.42 H new ATOM 0 HE3 LYS A 10 6.731 -7.820 0.928 1.00 70.42 H new ATOM 0 HZ1 LYS A 10 7.966 -6.614 2.608 1.00 33.10 H new ATOM 0 HZ2 LYS A 10 8.196 -8.285 2.807 1.00 33.10 H new ATOM 0 HZ3 LYS A 10 9.420 -7.336 2.112 1.00 33.10 H new ATOM 104 N LEU A 11 9.457 -9.114 -4.720 1.00 4.22 N ATOM 105 CA LEU A 11 9.994 -10.200 -5.532 1.00 62.12 C ATOM 106 C LEU A 11 11.519 -10.159 -5.558 1.00 12.30 C ATOM 107 O LEU A 11 12.170 -11.142 -5.911 1.00 22.45 O ATOM 108 CB LEU A 11 9.446 -10.116 -6.958 1.00 2.02 C ATOM 109 CG LEU A 11 7.976 -9.718 -7.089 1.00 52.52 C ATOM 110 CD1 LEU A 11 7.604 -9.521 -8.551 1.00 25.31 C ATOM 111 CD2 LEU A 11 7.080 -10.765 -6.445 1.00 74.44 C ATOM 0 H LEU A 11 9.108 -8.319 -5.256 1.00 4.22 H new ATOM 0 HA LEU A 11 9.682 -11.144 -5.084 1.00 62.12 H new ATOM 0 HB2 LEU A 11 10.047 -9.398 -7.515 1.00 2.02 H new ATOM 0 HB3 LEU A 11 9.583 -11.086 -7.436 1.00 2.02 H new ATOM 0 HG LEU A 11 7.828 -8.772 -6.567 1.00 52.52 H new ATOM 0 HD11 LEU A 11 6.554 -9.238 -8.624 1.00 25.31 H new ATOM 0 HD12 LEU A 11 8.223 -8.733 -8.981 1.00 25.31 H new ATOM 0 HD13 LEU A 11 7.768 -10.450 -9.097 1.00 25.31 H new ATOM 0 HD21 LEU A 11 6.037 -10.465 -6.548 1.00 74.44 H new ATOM 0 HD22 LEU A 11 7.231 -11.726 -6.937 1.00 74.44 H new ATOM 0 HD23 LEU A 11 7.329 -10.856 -5.388 1.00 74.44 H new ATOM 123 N ILE A 12 12.081 -9.015 -5.181 1.00 32.44 N ATOM 124 CA ILE A 12 13.529 -8.848 -5.157 1.00 54.54 C ATOM 125 C ILE A 12 14.190 -9.898 -4.272 1.00 33.23 C ATOM 126 O ILE A 12 15.044 -10.668 -4.711 1.00 73.34 O ATOM 127 CB ILE A 12 13.925 -7.446 -4.656 1.00 31.42 C ATOM 128 CG1 ILE A 12 13.999 -6.464 -5.826 1.00 42.14 C ATOM 129 CG2 ILE A 12 15.255 -7.504 -3.920 1.00 44.13 C ATOM 130 CD1 ILE A 12 12.763 -6.468 -6.698 1.00 70.01 C ATOM 0 H ILE A 12 11.556 -8.191 -4.888 1.00 32.44 H new ATOM 0 HA ILE A 12 13.878 -8.971 -6.182 1.00 54.54 H new ATOM 0 HB ILE A 12 13.162 -7.095 -3.961 1.00 31.42 H new ATOM 0 HG12 ILE A 12 14.155 -5.458 -5.436 1.00 42.14 H new ATOM 0 HG13 ILE A 12 14.867 -6.707 -6.439 1.00 42.14 H new ATOM 0 HG21 ILE A 12 15.522 -6.506 -3.572 1.00 44.13 H new ATOM 0 HG22 ILE A 12 15.169 -8.176 -3.066 1.00 44.13 H new ATOM 0 HG23 ILE A 12 16.028 -7.872 -4.594 1.00 44.13 H new ATOM 0 HD11 ILE A 12 12.886 -5.748 -7.507 1.00 70.01 H new ATOM 0 HD12 ILE A 12 12.617 -7.463 -7.117 1.00 70.01 H new ATOM 0 HD13 ILE A 12 11.894 -6.195 -6.099 1.00 70.01 H new ATOM 142 N PRO A 13 13.786 -9.933 -2.993 1.00 74.42 N ATOM 143 CA PRO A 13 14.324 -10.887 -2.019 1.00 21.02 C ATOM 144 C PRO A 13 13.879 -12.318 -2.301 1.00 42.12 C ATOM 145 O PRO A 13 14.436 -13.271 -1.757 1.00 22.41 O ATOM 146 CB PRO A 13 13.745 -10.400 -0.688 1.00 41.33 C ATOM 147 CG PRO A 13 12.500 -9.672 -1.061 1.00 12.10 C ATOM 148 CD PRO A 13 12.772 -9.045 -2.401 1.00 35.24 C ATOM 0 HA PRO A 13 15.413 -10.919 -2.040 1.00 21.02 H new ATOM 0 HB2 PRO A 13 13.531 -11.235 -0.020 1.00 41.33 H new ATOM 0 HB3 PRO A 13 14.445 -9.747 -0.167 1.00 41.33 H new ATOM 0 HG2 PRO A 13 11.651 -10.353 -1.114 1.00 12.10 H new ATOM 0 HG3 PRO A 13 12.254 -8.913 -0.318 1.00 12.10 H new ATOM 0 HD2 PRO A 13 11.871 -8.999 -3.013 1.00 35.24 H new ATOM 0 HD3 PRO A 13 13.141 -8.024 -2.300 1.00 35.24 H new ATOM 156 N LYS A 14 12.872 -12.462 -3.156 1.00 41.41 N ATOM 157 CA LYS A 14 12.353 -13.776 -3.513 1.00 74.40 C ATOM 158 C LYS A 14 13.403 -14.592 -4.260 1.00 50.01 C ATOM 159 O LYS A 14 13.693 -15.733 -3.896 1.00 55.42 O ATOM 160 CB LYS A 14 11.095 -13.634 -4.373 1.00 60.15 C ATOM 161 CG LYS A 14 9.838 -14.165 -3.706 1.00 1.42 C ATOM 162 CD LYS A 14 8.658 -14.171 -4.663 1.00 43.14 C ATOM 163 CE LYS A 14 8.230 -15.588 -5.010 1.00 74.42 C ATOM 164 NZ LYS A 14 6.822 -15.639 -5.495 1.00 25.40 N ATOM 0 H LYS A 14 12.399 -11.683 -3.615 1.00 41.41 H new ATOM 0 HA LYS A 14 12.099 -14.301 -2.592 1.00 74.40 H new ATOM 0 HB2 LYS A 14 10.949 -12.582 -4.618 1.00 60.15 H new ATOM 0 HB3 LYS A 14 11.247 -14.162 -5.314 1.00 60.15 H new ATOM 0 HG2 LYS A 14 10.018 -15.177 -3.343 1.00 1.42 H new ATOM 0 HG3 LYS A 14 9.600 -13.552 -2.837 1.00 1.42 H new ATOM 0 HD2 LYS A 14 7.821 -13.637 -4.214 1.00 43.14 H new ATOM 0 HD3 LYS A 14 8.925 -13.637 -5.575 1.00 43.14 H new ATOM 0 HE2 LYS A 14 8.893 -15.990 -5.776 1.00 74.42 H new ATOM 0 HE3 LYS A 14 8.335 -16.225 -4.131 1.00 74.42 H new ATOM 0 HZ1 LYS A 14 6.502 -16.628 -5.527 1.00 25.40 H new ATOM 0 HZ2 LYS A 14 6.212 -15.098 -4.849 1.00 25.40 H new ATOM 0 HZ3 LYS A 14 6.768 -15.226 -6.448 1.00 25.40 H new ATOM 178 N LEU A 15 13.971 -14.001 -5.305 1.00 5.50 N ATOM 179 CA LEU A 15 14.992 -14.672 -6.103 1.00 13.03 C ATOM 180 C LEU A 15 16.379 -14.452 -5.509 1.00 23.43 C ATOM 181 O LEU A 15 17.289 -15.253 -5.718 1.00 63.32 O ATOM 182 CB LEU A 15 14.956 -14.164 -7.545 1.00 54.21 C ATOM 183 CG LEU A 15 13.653 -14.404 -8.309 1.00 61.10 C ATOM 184 CD1 LEU A 15 13.385 -13.264 -9.279 1.00 11.10 C ATOM 185 CD2 LEU A 15 13.705 -15.734 -9.047 1.00 44.34 C ATOM 0 H LEU A 15 13.742 -13.058 -5.620 1.00 5.50 H new ATOM 0 HA LEU A 15 14.779 -15.741 -6.096 1.00 13.03 H new ATOM 0 HB2 LEU A 15 15.157 -13.093 -7.537 1.00 54.21 H new ATOM 0 HB3 LEU A 15 15.769 -14.637 -8.096 1.00 54.21 H new ATOM 0 HG LEU A 15 12.834 -14.442 -7.590 1.00 61.10 H new ATOM 0 HD11 LEU A 15 12.454 -13.452 -9.813 1.00 11.10 H new ATOM 0 HD12 LEU A 15 13.303 -12.328 -8.727 1.00 11.10 H new ATOM 0 HD13 LEU A 15 14.205 -13.193 -9.993 1.00 11.10 H new ATOM 0 HD21 LEU A 15 12.770 -15.888 -9.585 1.00 44.34 H new ATOM 0 HD22 LEU A 15 14.534 -15.725 -9.755 1.00 44.34 H new ATOM 0 HD23 LEU A 15 13.849 -16.542 -8.330 1.00 44.34 H new ATOM 197 N GLY A 16 16.533 -13.362 -4.764 1.00 41.51 N ATOM 198 CA GLY A 16 17.812 -13.057 -4.149 1.00 71.32 C ATOM 199 C GLY A 16 18.358 -14.218 -3.342 1.00 31.30 C ATOM 200 O GLY A 16 19.570 -14.353 -3.179 1.00 1.31 O ATOM 0 H GLY A 16 15.795 -12.684 -4.575 1.00 41.51 H new ATOM 0 HA2 GLY A 16 18.530 -12.788 -4.924 1.00 71.32 H new ATOM 0 HA3 GLY A 16 17.702 -12.188 -3.501 1.00 71.32 H new ATOM 204 N GLU A 17 17.461 -15.058 -2.834 1.00 51.04 N ATOM 205 CA GLU A 17 17.861 -16.212 -2.037 1.00 51.25 C ATOM 206 C GLU A 17 18.450 -17.306 -2.922 1.00 65.25 C ATOM 207 O GLU A 17 19.347 -18.041 -2.507 1.00 24.05 O ATOM 208 CB GLU A 17 16.664 -16.761 -1.258 1.00 2.42 C ATOM 209 CG GLU A 17 17.052 -17.499 0.012 1.00 0.45 C ATOM 210 CD GLU A 17 16.052 -18.574 0.391 1.00 11.30 C ATOM 211 OE1 GLU A 17 14.846 -18.382 0.129 1.00 62.01 O ATOM 212 OE2 GLU A 17 16.476 -19.607 0.950 1.00 72.35 O ATOM 0 H GLU A 17 16.453 -14.961 -2.960 1.00 51.04 H new ATOM 0 HA GLU A 17 18.626 -15.887 -1.332 1.00 51.25 H new ATOM 0 HB2 GLU A 17 15.999 -15.936 -1.000 1.00 2.42 H new ATOM 0 HB3 GLU A 17 16.100 -17.435 -1.902 1.00 2.42 H new ATOM 0 HG2 GLU A 17 18.034 -17.953 -0.122 1.00 0.45 H new ATOM 0 HG3 GLU A 17 17.139 -16.785 0.831 1.00 0.45 H new ATOM 219 N LEU A 18 17.940 -17.409 -4.145 1.00 22.34 N ATOM 220 CA LEU A 18 18.415 -18.414 -5.090 1.00 31.23 C ATOM 221 C LEU A 18 19.729 -17.981 -5.731 1.00 2.31 C ATOM 222 O LEU A 18 20.323 -18.721 -6.516 1.00 41.23 O ATOM 223 CB LEU A 18 17.363 -18.662 -6.172 1.00 41.45 C ATOM 224 CG LEU A 18 16.633 -20.003 -6.105 1.00 30.40 C ATOM 225 CD1 LEU A 18 17.628 -21.154 -6.124 1.00 55.21 C ATOM 226 CD2 LEU A 18 15.758 -20.073 -4.862 1.00 4.34 C ATOM 0 H LEU A 18 17.198 -16.809 -4.505 1.00 22.34 H new ATOM 0 HA LEU A 18 18.588 -19.340 -4.542 1.00 31.23 H new ATOM 0 HB2 LEU A 18 16.622 -17.865 -6.119 1.00 41.45 H new ATOM 0 HB3 LEU A 18 17.847 -18.583 -7.146 1.00 41.45 H new ATOM 0 HG LEU A 18 15.991 -20.089 -6.982 1.00 30.40 H new ATOM 0 HD11 LEU A 18 17.090 -22.101 -6.076 1.00 55.21 H new ATOM 0 HD12 LEU A 18 18.212 -21.115 -7.044 1.00 55.21 H new ATOM 0 HD13 LEU A 18 18.296 -21.072 -5.266 1.00 55.21 H new ATOM 0 HD21 LEU A 18 15.246 -21.035 -4.831 1.00 4.34 H new ATOM 0 HD22 LEU A 18 16.379 -19.964 -3.973 1.00 4.34 H new ATOM 0 HD23 LEU A 18 15.021 -19.270 -4.890 1.00 4.34 H new ATOM 238 N LEU A 19 20.180 -16.778 -5.390 1.00 35.41 N ATOM 239 CA LEU A 19 21.426 -16.246 -5.930 1.00 73.54 C ATOM 240 C LEU A 19 22.601 -16.578 -5.016 1.00 40.33 C ATOM 241 O LEU A 19 23.752 -16.277 -5.333 1.00 51.44 O ATOM 242 CB LEU A 19 21.319 -14.732 -6.115 1.00 3.34 C ATOM 243 CG LEU A 19 21.089 -14.244 -7.545 1.00 74.14 C ATOM 244 CD1 LEU A 19 22.216 -14.706 -8.455 1.00 64.11 C ATOM 245 CD2 LEU A 19 19.746 -14.735 -8.066 1.00 73.02 C ATOM 0 H LEU A 19 19.701 -16.153 -4.742 1.00 35.41 H new ATOM 0 HA LEU A 19 21.602 -16.712 -6.900 1.00 73.54 H new ATOM 0 HB2 LEU A 19 20.502 -14.367 -5.492 1.00 3.34 H new ATOM 0 HB3 LEU A 19 22.235 -14.275 -5.740 1.00 3.34 H new ATOM 0 HG LEU A 19 21.078 -13.154 -7.539 1.00 74.14 H new ATOM 0 HD11 LEU A 19 22.035 -14.349 -9.469 1.00 64.11 H new ATOM 0 HD12 LEU A 19 23.163 -14.306 -8.093 1.00 64.11 H new ATOM 0 HD13 LEU A 19 22.259 -15.795 -8.456 1.00 64.11 H new ATOM 0 HD21 LEU A 19 19.599 -14.378 -9.085 1.00 73.02 H new ATOM 0 HD22 LEU A 19 19.729 -15.825 -8.057 1.00 73.02 H new ATOM 0 HD23 LEU A 19 18.947 -14.354 -7.429 1.00 73.02 H new ATOM 257 N VAL A 20 22.304 -17.201 -3.881 1.00 35.52 N ATOM 258 CA VAL A 20 23.336 -17.577 -2.922 1.00 35.12 C ATOM 259 C VAL A 20 24.087 -18.821 -3.382 1.00 42.14 C ATOM 260 O VAL A 20 25.262 -19.003 -3.064 1.00 54.22 O ATOM 261 CB VAL A 20 22.737 -17.840 -1.527 1.00 51.51 C ATOM 262 CG1 VAL A 20 21.995 -16.611 -1.025 1.00 14.44 C ATOM 263 CG2 VAL A 20 21.817 -19.051 -1.562 1.00 4.12 C ATOM 0 H VAL A 20 21.357 -17.456 -3.602 1.00 35.52 H new ATOM 0 HA VAL A 20 24.030 -16.739 -2.860 1.00 35.12 H new ATOM 0 HB VAL A 20 23.552 -18.051 -0.834 1.00 51.51 H new ATOM 0 HG11 VAL A 20 21.579 -16.815 -0.039 1.00 14.44 H new ATOM 0 HG12 VAL A 20 22.686 -15.770 -0.961 1.00 14.44 H new ATOM 0 HG13 VAL A 20 21.188 -16.366 -1.716 1.00 14.44 H new ATOM 0 HG21 VAL A 20 21.403 -19.222 -0.568 1.00 4.12 H new ATOM 0 HG22 VAL A 20 21.006 -18.871 -2.267 1.00 4.12 H new ATOM 0 HG23 VAL A 20 22.382 -19.929 -1.875 1.00 4.12 H new ATOM 273 N GLY A 21 23.401 -19.676 -4.135 1.00 41.32 N ATOM 274 CA GLY A 21 24.020 -20.892 -4.628 1.00 61.23 C ATOM 275 C GLY A 21 23.898 -22.043 -3.649 1.00 54.04 C ATOM 276 O GLY A 21 24.010 -23.207 -4.033 1.00 40.43 O ATOM 0 H GLY A 21 22.428 -19.548 -4.412 1.00 41.32 H new ATOM 0 HA2 GLY A 21 23.558 -21.173 -5.574 1.00 61.23 H new ATOM 0 HA3 GLY A 21 25.074 -20.703 -4.832 1.00 61.23 H new ATOM 280 N GLU A 22 23.668 -21.717 -2.381 1.00 61.31 N ATOM 281 CA GLU A 22 23.533 -22.734 -1.345 1.00 1.15 C ATOM 282 C GLU A 22 22.257 -23.547 -1.543 1.00 64.52 C ATOM 283 O GLU A 22 21.218 -23.246 -0.956 1.00 2.02 O ATOM 284 CB GLU A 22 23.526 -22.084 0.041 1.00 40.14 C ATOM 285 CG GLU A 22 24.689 -21.135 0.273 1.00 3.54 C ATOM 286 CD GLU A 22 26.036 -21.816 0.131 1.00 22.41 C ATOM 287 OE1 GLU A 22 26.444 -22.088 -1.017 1.00 64.45 O ATOM 288 OE2 GLU A 22 26.682 -22.078 1.167 1.00 33.34 O ATOM 0 H GLU A 22 23.571 -20.758 -2.047 1.00 61.31 H new ATOM 0 HA GLU A 22 24.387 -23.407 -1.419 1.00 1.15 H new ATOM 0 HB2 GLU A 22 22.591 -21.539 0.173 1.00 40.14 H new ATOM 0 HB3 GLU A 22 23.549 -22.866 0.800 1.00 40.14 H new ATOM 0 HG2 GLU A 22 24.627 -20.310 -0.437 1.00 3.54 H new ATOM 0 HG3 GLU A 22 24.608 -20.704 1.271 1.00 3.54 H new ATOM 295 N TYR A 23 22.345 -24.579 -2.375 1.00 74.22 N ATOM 296 CA TYR A 23 21.198 -25.435 -2.654 1.00 55.14 C ATOM 297 C TYR A 23 21.649 -26.822 -3.101 1.00 74.21 C ATOM 298 O TYR A 23 22.844 -27.106 -3.173 1.00 64.44 O ATOM 299 CB TYR A 23 20.313 -24.803 -3.731 1.00 2.14 C ATOM 300 CG TYR A 23 19.483 -23.643 -3.228 1.00 62.22 C ATOM 301 CD1 TYR A 23 18.262 -23.857 -2.602 1.00 33.22 C ATOM 302 CD2 TYR A 23 19.921 -22.333 -3.379 1.00 63.22 C ATOM 303 CE1 TYR A 23 17.500 -22.801 -2.142 1.00 50.50 C ATOM 304 CE2 TYR A 23 19.167 -21.270 -2.921 1.00 72.42 C ATOM 305 CZ TYR A 23 17.957 -21.509 -2.304 1.00 32.22 C ATOM 306 OH TYR A 23 17.202 -20.454 -1.846 1.00 14.11 O ATOM 0 H TYR A 23 23.198 -24.843 -2.868 1.00 74.22 H new ATOM 0 HA TYR A 23 20.622 -25.539 -1.734 1.00 55.14 H new ATOM 0 HB2 TYR A 23 20.943 -24.459 -4.552 1.00 2.14 H new ATOM 0 HB3 TYR A 23 19.648 -25.566 -4.137 1.00 2.14 H new ATOM 0 HD1 TYR A 23 17.902 -24.867 -2.473 1.00 33.22 H new ATOM 0 HD2 TYR A 23 20.868 -22.143 -3.863 1.00 63.22 H new ATOM 0 HE1 TYR A 23 16.552 -22.985 -1.658 1.00 50.50 H new ATOM 0 HE2 TYR A 23 19.523 -20.258 -3.045 1.00 72.42 H new ATOM 0 HH TYR A 23 17.048 -20.556 -0.884 1.00 14.11 H new ATOM 316 N LYS A 24 20.682 -27.683 -3.401 1.00 22.33 N ATOM 317 CA LYS A 24 20.977 -29.041 -3.843 1.00 34.33 C ATOM 318 C LYS A 24 20.676 -29.207 -5.329 1.00 34.02 C ATOM 319 O LYS A 24 19.910 -30.088 -5.723 1.00 51.42 O ATOM 320 CB LYS A 24 20.163 -30.052 -3.031 1.00 13.41 C ATOM 321 CG LYS A 24 20.798 -31.429 -2.962 1.00 22.41 C ATOM 322 CD LYS A 24 19.882 -32.433 -2.282 1.00 12.20 C ATOM 323 CE LYS A 24 19.976 -32.336 -0.767 1.00 32.00 C ATOM 324 NZ LYS A 24 21.234 -32.942 -0.249 1.00 74.45 N ATOM 0 H LYS A 24 19.687 -27.464 -3.346 1.00 22.33 H new ATOM 0 HA LYS A 24 22.039 -29.226 -3.682 1.00 34.33 H new ATOM 0 HB2 LYS A 24 20.032 -29.671 -2.018 1.00 13.41 H new ATOM 0 HB3 LYS A 24 19.169 -30.141 -3.469 1.00 13.41 H new ATOM 0 HG2 LYS A 24 21.032 -31.773 -3.969 1.00 22.41 H new ATOM 0 HG3 LYS A 24 21.741 -31.369 -2.418 1.00 22.41 H new ATOM 0 HD2 LYS A 24 18.853 -32.259 -2.596 1.00 12.20 H new ATOM 0 HD3 LYS A 24 20.146 -33.442 -2.600 1.00 12.20 H new ATOM 0 HE2 LYS A 24 19.927 -31.289 -0.466 1.00 32.00 H new ATOM 0 HE3 LYS A 24 19.119 -32.838 -0.317 1.00 32.00 H new ATOM 0 HZ1 LYS A 24 21.186 -33.010 0.788 1.00 74.45 H new ATOM 0 HZ2 LYS A 24 21.353 -33.893 -0.653 1.00 74.45 H new ATOM 0 HZ3 LYS A 24 22.043 -32.347 -0.520 1.00 74.45 H new ATOM 338 N LEU A 25 21.283 -28.357 -6.149 1.00 62.01 N ATOM 339 CA LEU A 25 21.081 -28.410 -7.593 1.00 24.41 C ATOM 340 C LEU A 25 22.325 -27.932 -8.335 1.00 3.53 C ATOM 341 O LEU A 25 23.277 -27.446 -7.723 1.00 25.11 O ATOM 342 CB LEU A 25 19.876 -27.557 -7.991 1.00 60.01 C ATOM 343 CG LEU A 25 18.555 -27.896 -7.299 1.00 64.31 C ATOM 344 CD1 LEU A 25 17.523 -26.809 -7.556 1.00 62.55 C ATOM 345 CD2 LEU A 25 18.038 -29.248 -7.770 1.00 43.20 C ATOM 0 H LEU A 25 21.919 -27.623 -5.839 1.00 62.01 H new ATOM 0 HA LEU A 25 20.891 -29.447 -7.871 1.00 24.41 H new ATOM 0 HB2 LEU A 25 20.112 -26.513 -7.787 1.00 60.01 H new ATOM 0 HB3 LEU A 25 19.732 -27.647 -9.068 1.00 60.01 H new ATOM 0 HG LEU A 25 18.733 -27.952 -6.225 1.00 64.31 H new ATOM 0 HD11 LEU A 25 16.590 -27.068 -7.056 1.00 62.55 H new ATOM 0 HD12 LEU A 25 17.891 -25.859 -7.169 1.00 62.55 H new ATOM 0 HD13 LEU A 25 17.347 -26.720 -8.628 1.00 62.55 H new ATOM 0 HD21 LEU A 25 17.097 -29.473 -7.267 1.00 43.20 H new ATOM 0 HD22 LEU A 25 17.876 -29.220 -8.848 1.00 43.20 H new ATOM 0 HD23 LEU A 25 18.770 -30.020 -7.533 1.00 43.20 H new ATOM 357 N HIS A 26 22.309 -28.069 -9.657 1.00 25.43 N ATOM 358 CA HIS A 26 23.435 -27.648 -10.483 1.00 23.02 C ATOM 359 C HIS A 26 23.707 -26.157 -10.311 1.00 52.53 C ATOM 360 O HIS A 26 22.783 -25.364 -10.124 1.00 5.12 O ATOM 361 CB HIS A 26 23.162 -27.963 -11.954 1.00 14.42 C ATOM 362 CG HIS A 26 23.477 -29.377 -12.333 1.00 11.05 C ATOM 363 ND1 HIS A 26 24.733 -29.930 -12.199 1.00 41.44 N ATOM 364 CD2 HIS A 26 22.690 -30.354 -12.841 1.00 51.44 C ATOM 365 CE1 HIS A 26 24.706 -31.184 -12.612 1.00 33.44 C ATOM 366 NE2 HIS A 26 23.477 -31.467 -13.006 1.00 1.40 N ATOM 0 H HIS A 26 21.529 -28.468 -10.179 1.00 25.43 H new ATOM 0 HA HIS A 26 24.318 -28.200 -10.160 1.00 23.02 H new ATOM 0 HB2 HIS A 26 22.113 -27.763 -12.171 1.00 14.42 H new ATOM 0 HB3 HIS A 26 23.751 -27.289 -12.576 1.00 14.42 H new ATOM 0 HD2 HIS A 26 21.638 -30.273 -13.073 1.00 51.44 H new ATOM 0 HE1 HIS A 26 25.546 -31.863 -12.625 1.00 33.44 H new ATOM 0 HE2 HIS A 26 23.164 -32.366 -13.373 1.00 1.40 H new ATOM 374 N LYS A 27 24.980 -25.781 -10.376 1.00 14.51 N ATOM 375 CA LYS A 27 25.374 -24.385 -10.228 1.00 51.45 C ATOM 376 C LYS A 27 24.957 -23.570 -11.449 1.00 0.44 C ATOM 377 O LYS A 27 24.914 -22.341 -11.401 1.00 60.04 O ATOM 378 CB LYS A 27 26.887 -24.279 -10.024 1.00 70.44 C ATOM 379 CG LYS A 27 27.685 -24.419 -11.309 1.00 41.22 C ATOM 380 CD LYS A 27 27.953 -23.067 -11.949 1.00 3.35 C ATOM 381 CE LYS A 27 29.290 -23.048 -12.673 1.00 65.11 C ATOM 382 NZ LYS A 27 29.887 -21.684 -12.702 1.00 11.02 N ATOM 0 H LYS A 27 25.757 -26.424 -10.530 1.00 14.51 H new ATOM 0 HA LYS A 27 24.866 -23.981 -9.352 1.00 51.45 H new ATOM 0 HB2 LYS A 27 27.117 -23.317 -9.566 1.00 70.44 H new ATOM 0 HB3 LYS A 27 27.206 -25.050 -9.322 1.00 70.44 H new ATOM 0 HG2 LYS A 27 28.631 -24.917 -11.098 1.00 41.22 H new ATOM 0 HG3 LYS A 27 27.141 -25.053 -12.009 1.00 41.22 H new ATOM 0 HD2 LYS A 27 27.154 -22.831 -12.652 1.00 3.35 H new ATOM 0 HD3 LYS A 27 27.942 -22.292 -11.183 1.00 3.35 H new ATOM 0 HE2 LYS A 27 29.979 -23.735 -12.182 1.00 65.11 H new ATOM 0 HE3 LYS A 27 29.155 -23.407 -13.693 1.00 65.11 H new ATOM 0 HZ1 LYS A 27 30.335 -21.521 -13.626 1.00 11.02 H new ATOM 0 HZ2 LYS A 27 29.141 -20.975 -12.549 1.00 11.02 H new ATOM 0 HZ3 LYS A 27 30.602 -21.602 -11.951 1.00 11.02 H new ATOM 396 N GLY A 28 24.649 -24.263 -12.541 1.00 2.32 N ATOM 397 CA GLY A 28 24.238 -23.586 -13.757 1.00 63.33 C ATOM 398 C GLY A 28 22.831 -23.030 -13.665 1.00 22.43 C ATOM 399 O GLY A 28 22.478 -22.091 -14.378 1.00 65.45 O ATOM 0 H GLY A 28 24.677 -25.281 -12.605 1.00 2.32 H new ATOM 0 HA2 GLY A 28 24.933 -22.774 -13.969 1.00 63.33 H new ATOM 0 HA3 GLY A 28 24.296 -24.282 -14.594 1.00 63.33 H new ATOM 403 N VAL A 29 22.024 -23.612 -12.784 1.00 35.15 N ATOM 404 CA VAL A 29 20.646 -23.170 -12.600 1.00 44.54 C ATOM 405 C VAL A 29 20.593 -21.814 -11.905 1.00 33.02 C ATOM 406 O VAL A 29 19.931 -20.888 -12.375 1.00 31.15 O ATOM 407 CB VAL A 29 19.834 -24.188 -11.779 1.00 61.31 C ATOM 408 CG1 VAL A 29 18.386 -23.739 -11.652 1.00 5.13 C ATOM 409 CG2 VAL A 29 19.919 -25.570 -12.411 1.00 15.44 C ATOM 0 H VAL A 29 22.300 -24.391 -12.186 1.00 35.15 H new ATOM 0 HA VAL A 29 20.206 -23.084 -13.593 1.00 44.54 H new ATOM 0 HB VAL A 29 20.261 -24.244 -10.778 1.00 61.31 H new ATOM 0 HG11 VAL A 29 17.828 -24.471 -11.069 1.00 5.13 H new ATOM 0 HG12 VAL A 29 18.348 -22.771 -11.152 1.00 5.13 H new ATOM 0 HG13 VAL A 29 17.944 -23.652 -12.644 1.00 5.13 H new ATOM 0 HG21 VAL A 29 19.339 -26.278 -11.818 1.00 15.44 H new ATOM 0 HG22 VAL A 29 19.519 -25.532 -13.424 1.00 15.44 H new ATOM 0 HG23 VAL A 29 20.960 -25.892 -12.444 1.00 15.44 H new ATOM 419 N LYS A 30 21.294 -21.703 -10.782 1.00 22.32 N ATOM 420 CA LYS A 30 21.329 -20.460 -10.020 1.00 62.43 C ATOM 421 C LYS A 30 21.812 -19.303 -10.889 1.00 73.32 C ATOM 422 O LYS A 30 21.500 -18.142 -10.624 1.00 24.00 O ATOM 423 CB LYS A 30 22.241 -20.611 -8.801 1.00 1.04 C ATOM 424 CG LYS A 30 23.665 -21.009 -9.151 1.00 15.12 C ATOM 425 CD LYS A 30 24.672 -20.349 -8.224 1.00 70.13 C ATOM 426 CE LYS A 30 24.979 -18.924 -8.659 1.00 33.04 C ATOM 427 NZ LYS A 30 25.758 -18.886 -9.927 1.00 21.40 N ATOM 0 H LYS A 30 21.846 -22.460 -10.379 1.00 22.32 H new ATOM 0 HA LYS A 30 20.316 -20.240 -9.683 1.00 62.43 H new ATOM 0 HB2 LYS A 30 22.260 -19.669 -8.253 1.00 1.04 H new ATOM 0 HB3 LYS A 30 21.818 -21.360 -8.132 1.00 1.04 H new ATOM 0 HG2 LYS A 30 23.767 -22.092 -9.088 1.00 15.12 H new ATOM 0 HG3 LYS A 30 23.879 -20.728 -10.182 1.00 15.12 H new ATOM 0 HD2 LYS A 30 24.282 -20.344 -7.206 1.00 70.13 H new ATOM 0 HD3 LYS A 30 25.592 -20.933 -8.210 1.00 70.13 H new ATOM 0 HE2 LYS A 30 24.046 -18.375 -8.789 1.00 33.04 H new ATOM 0 HE3 LYS A 30 25.540 -18.417 -7.873 1.00 33.04 H new ATOM 0 HZ1 LYS A 30 26.602 -18.293 -9.798 1.00 21.40 H new ATOM 0 HZ2 LYS A 30 26.049 -19.851 -10.185 1.00 21.40 H new ATOM 0 HZ3 LYS A 30 25.168 -18.488 -10.685 1.00 21.40 H new ATOM 441 N LYS A 31 22.573 -19.628 -11.929 1.00 55.41 N ATOM 442 CA LYS A 31 23.096 -18.616 -12.840 1.00 22.34 C ATOM 443 C LYS A 31 21.970 -17.966 -13.636 1.00 53.31 C ATOM 444 O LYS A 31 22.049 -16.792 -13.995 1.00 15.54 O ATOM 445 CB LYS A 31 24.116 -19.240 -13.795 1.00 5.32 C ATOM 446 CG LYS A 31 25.453 -19.547 -13.141 1.00 52.15 C ATOM 447 CD LYS A 31 26.383 -20.281 -14.093 1.00 1.52 C ATOM 448 CE LYS A 31 26.904 -19.358 -15.184 1.00 64.43 C ATOM 449 NZ LYS A 31 27.929 -18.410 -14.667 1.00 12.35 N ATOM 0 H LYS A 31 22.841 -20.584 -12.162 1.00 55.41 H new ATOM 0 HA LYS A 31 23.587 -17.846 -12.245 1.00 22.34 H new ATOM 0 HB2 LYS A 31 23.701 -20.161 -14.205 1.00 5.32 H new ATOM 0 HB3 LYS A 31 24.278 -18.563 -14.633 1.00 5.32 H new ATOM 0 HG2 LYS A 31 25.922 -18.618 -12.816 1.00 52.15 H new ATOM 0 HG3 LYS A 31 25.292 -20.152 -12.249 1.00 52.15 H new ATOM 0 HD2 LYS A 31 27.222 -20.697 -13.535 1.00 1.52 H new ATOM 0 HD3 LYS A 31 25.854 -21.120 -14.546 1.00 1.52 H new ATOM 0 HE2 LYS A 31 27.334 -19.954 -15.989 1.00 64.43 H new ATOM 0 HE3 LYS A 31 26.073 -18.797 -15.612 1.00 64.43 H new ATOM 0 HZ1 LYS A 31 28.368 -17.905 -15.463 1.00 12.35 H new ATOM 0 HZ2 LYS A 31 27.477 -17.724 -14.029 1.00 12.35 H new ATOM 0 HZ3 LYS A 31 28.659 -18.938 -14.147 1.00 12.35 H new ATOM 463 N ASN A 32 20.922 -18.736 -13.908 1.00 73.52 N ATOM 464 CA ASN A 32 19.779 -18.234 -14.662 1.00 35.13 C ATOM 465 C ASN A 32 18.895 -17.351 -13.786 1.00 22.05 C ATOM 466 O ASN A 32 18.273 -16.404 -14.269 1.00 24.35 O ATOM 467 CB ASN A 32 18.959 -19.398 -15.222 1.00 20.41 C ATOM 468 CG ASN A 32 18.365 -19.086 -16.582 1.00 13.54 C ATOM 469 OD1 ASN A 32 17.159 -19.222 -16.791 1.00 1.34 O ATOM 470 ND2 ASN A 32 19.211 -18.664 -17.514 1.00 52.21 N ATOM 0 H ASN A 32 20.840 -19.710 -13.618 1.00 73.52 H new ATOM 0 HA ASN A 32 20.157 -17.633 -15.489 1.00 35.13 H new ATOM 0 HB2 ASN A 32 19.593 -20.281 -15.300 1.00 20.41 H new ATOM 0 HB3 ASN A 32 18.157 -19.642 -14.526 1.00 20.41 H new ATOM 0 HD21 ASN A 32 18.869 -18.438 -18.448 1.00 52.21 H new ATOM 0 HD22 ASN A 32 20.203 -18.566 -17.296 1.00 52.21 H new ATOM 477 N ILE A 33 18.846 -17.667 -12.496 1.00 32.30 N ATOM 478 CA ILE A 33 18.040 -16.902 -11.553 1.00 4.25 C ATOM 479 C ILE A 33 18.374 -15.415 -11.625 1.00 34.52 C ATOM 480 O ILE A 33 17.481 -14.574 -11.721 1.00 2.25 O ATOM 481 CB ILE A 33 18.247 -17.393 -10.108 1.00 22.14 C ATOM 482 CG1 ILE A 33 17.934 -18.887 -10.004 1.00 62.21 C ATOM 483 CG2 ILE A 33 17.377 -16.596 -9.148 1.00 34.35 C ATOM 484 CD1 ILE A 33 16.487 -19.223 -10.291 1.00 3.23 C ATOM 0 H ILE A 33 19.355 -18.447 -12.080 1.00 32.30 H new ATOM 0 HA ILE A 33 16.998 -17.053 -11.834 1.00 4.25 H new ATOM 0 HB ILE A 33 19.291 -17.240 -9.834 1.00 22.14 H new ATOM 0 HG12 ILE A 33 18.570 -19.433 -10.701 1.00 62.21 H new ATOM 0 HG13 ILE A 33 18.187 -19.234 -9.002 1.00 62.21 H new ATOM 0 HG21 ILE A 33 17.535 -16.955 -8.131 1.00 34.35 H new ATOM 0 HG22 ILE A 33 17.644 -15.541 -9.206 1.00 34.35 H new ATOM 0 HG23 ILE A 33 16.328 -16.721 -9.418 1.00 34.35 H new ATOM 0 HD11 ILE A 33 16.338 -20.299 -10.199 1.00 3.23 H new ATOM 0 HD12 ILE A 33 15.845 -18.705 -9.578 1.00 3.23 H new ATOM 0 HD13 ILE A 33 16.234 -18.907 -11.303 1.00 3.23 H new ATOM 496 N GLU A 34 19.664 -15.101 -11.580 1.00 25.01 N ATOM 497 CA GLU A 34 20.115 -13.716 -11.641 1.00 41.44 C ATOM 498 C GLU A 34 19.496 -12.994 -12.835 1.00 34.40 C ATOM 499 O GLU A 34 19.273 -11.784 -12.796 1.00 22.25 O ATOM 500 CB GLU A 34 21.641 -13.656 -11.732 1.00 4.15 C ATOM 501 CG GLU A 34 22.181 -13.956 -13.120 1.00 23.13 C ATOM 502 CD GLU A 34 23.546 -14.617 -13.085 1.00 12.42 C ATOM 503 OE1 GLU A 34 24.140 -14.694 -11.989 1.00 62.24 O ATOM 504 OE2 GLU A 34 24.019 -15.056 -14.154 1.00 30.22 O ATOM 0 H GLU A 34 20.415 -15.786 -11.502 1.00 25.01 H new ATOM 0 HA GLU A 34 19.792 -13.216 -10.728 1.00 41.44 H new ATOM 0 HB2 GLU A 34 21.976 -12.664 -11.428 1.00 4.15 H new ATOM 0 HB3 GLU A 34 22.067 -14.367 -11.024 1.00 4.15 H new ATOM 0 HG2 GLU A 34 21.481 -14.605 -13.646 1.00 23.13 H new ATOM 0 HG3 GLU A 34 22.245 -13.029 -13.689 1.00 23.13 H new ATOM 511 N ASP A 35 19.220 -13.746 -13.895 1.00 22.31 N ATOM 512 CA ASP A 35 18.626 -13.180 -15.100 1.00 70.24 C ATOM 513 C ASP A 35 17.144 -12.885 -14.889 1.00 4.23 C ATOM 514 O ASP A 35 16.622 -11.887 -15.388 1.00 33.40 O ATOM 515 CB ASP A 35 18.804 -14.137 -16.280 1.00 45.13 C ATOM 516 CG ASP A 35 20.235 -14.617 -16.425 1.00 21.43 C ATOM 517 OD1 ASP A 35 21.142 -13.952 -15.882 1.00 65.21 O ATOM 518 OD2 ASP A 35 20.447 -15.659 -17.080 1.00 24.14 O ATOM 0 H ASP A 35 19.398 -14.749 -13.944 1.00 22.31 H new ATOM 0 HA ASP A 35 19.137 -12.243 -15.321 1.00 70.24 H new ATOM 0 HB2 ASP A 35 18.147 -14.997 -16.149 1.00 45.13 H new ATOM 0 HB3 ASP A 35 18.496 -13.638 -17.199 1.00 45.13 H new ATOM 523 N LEU A 36 16.472 -13.758 -14.147 1.00 25.12 N ATOM 524 CA LEU A 36 15.050 -13.592 -13.870 1.00 11.25 C ATOM 525 C LEU A 36 14.815 -12.436 -12.903 1.00 1.51 C ATOM 526 O LEU A 36 13.903 -11.629 -13.092 1.00 60.51 O ATOM 527 CB LEU A 36 14.469 -14.883 -13.289 1.00 50.54 C ATOM 528 CG LEU A 36 13.189 -15.398 -13.948 1.00 14.42 C ATOM 529 CD1 LEU A 36 12.773 -16.728 -13.339 1.00 43.01 C ATOM 530 CD2 LEU A 36 12.070 -14.375 -13.812 1.00 43.40 C ATOM 0 H LEU A 36 16.889 -14.588 -13.726 1.00 25.12 H new ATOM 0 HA LEU A 36 14.546 -13.364 -14.810 1.00 11.25 H new ATOM 0 HB2 LEU A 36 15.228 -15.662 -13.357 1.00 50.54 H new ATOM 0 HB3 LEU A 36 14.270 -14.724 -12.229 1.00 50.54 H new ATOM 0 HG LEU A 36 13.387 -15.553 -15.009 1.00 14.42 H new ATOM 0 HD11 LEU A 36 11.860 -17.079 -13.820 1.00 43.01 H new ATOM 0 HD12 LEU A 36 13.566 -17.460 -13.488 1.00 43.01 H new ATOM 0 HD13 LEU A 36 12.594 -16.599 -12.272 1.00 43.01 H new ATOM 0 HD21 LEU A 36 11.167 -14.758 -14.287 1.00 43.40 H new ATOM 0 HD22 LEU A 36 11.874 -14.189 -12.756 1.00 43.40 H new ATOM 0 HD23 LEU A 36 12.367 -13.444 -14.296 1.00 43.40 H new ATOM 542 N LEU A 37 15.644 -12.359 -11.868 1.00 45.31 N ATOM 543 CA LEU A 37 15.529 -11.299 -10.872 1.00 61.11 C ATOM 544 C LEU A 37 15.868 -9.942 -11.479 1.00 51.45 C ATOM 545 O LEU A 37 15.231 -8.934 -11.170 1.00 72.35 O ATOM 546 CB LEU A 37 16.452 -11.584 -9.686 1.00 32.41 C ATOM 547 CG LEU A 37 16.603 -10.455 -8.666 1.00 72.11 C ATOM 548 CD1 LEU A 37 15.240 -9.999 -8.169 1.00 52.45 C ATOM 549 CD2 LEU A 37 17.475 -10.901 -7.501 1.00 72.25 C ATOM 0 H LEU A 37 16.403 -13.018 -11.696 1.00 45.31 H new ATOM 0 HA LEU A 37 14.497 -11.273 -10.523 1.00 61.11 H new ATOM 0 HB2 LEU A 37 16.081 -12.468 -9.167 1.00 32.41 H new ATOM 0 HB3 LEU A 37 17.441 -11.832 -10.072 1.00 32.41 H new ATOM 0 HG LEU A 37 17.090 -9.612 -9.156 1.00 72.11 H new ATOM 0 HD11 LEU A 37 15.367 -9.195 -7.444 1.00 52.45 H new ATOM 0 HD12 LEU A 37 14.648 -9.638 -9.010 1.00 52.45 H new ATOM 0 HD13 LEU A 37 14.726 -10.836 -7.696 1.00 52.45 H new ATOM 0 HD21 LEU A 37 17.571 -10.085 -6.785 1.00 72.25 H new ATOM 0 HD22 LEU A 37 17.017 -11.760 -7.012 1.00 72.25 H new ATOM 0 HD23 LEU A 37 18.462 -11.178 -7.871 1.00 72.25 H new ATOM 561 N LYS A 38 16.874 -9.922 -12.347 1.00 50.11 N ATOM 562 CA LYS A 38 17.296 -8.690 -13.002 1.00 4.51 C ATOM 563 C LYS A 38 16.137 -8.052 -13.761 1.00 42.11 C ATOM 564 O LYS A 38 16.068 -6.831 -13.894 1.00 1.52 O ATOM 565 CB LYS A 38 18.456 -8.969 -13.961 1.00 11.32 C ATOM 566 CG LYS A 38 19.820 -8.925 -13.295 1.00 2.44 C ATOM 567 CD LYS A 38 20.894 -9.534 -14.181 1.00 35.02 C ATOM 568 CE LYS A 38 22.287 -9.273 -13.629 1.00 14.11 C ATOM 569 NZ LYS A 38 22.451 -9.824 -12.255 1.00 42.22 N ATOM 0 H LYS A 38 17.413 -10.746 -12.613 1.00 50.11 H new ATOM 0 HA LYS A 38 17.629 -7.995 -12.232 1.00 4.51 H new ATOM 0 HB2 LYS A 38 18.314 -9.950 -14.414 1.00 11.32 H new ATOM 0 HB3 LYS A 38 18.432 -8.238 -14.769 1.00 11.32 H new ATOM 0 HG2 LYS A 38 20.080 -7.892 -13.065 1.00 2.44 H new ATOM 0 HG3 LYS A 38 19.781 -9.463 -12.348 1.00 2.44 H new ATOM 0 HD2 LYS A 38 20.731 -10.608 -14.266 1.00 35.02 H new ATOM 0 HD3 LYS A 38 20.816 -9.119 -15.186 1.00 35.02 H new ATOM 0 HE2 LYS A 38 23.029 -9.720 -14.290 1.00 14.11 H new ATOM 0 HE3 LYS A 38 22.477 -8.200 -13.615 1.00 14.11 H new ATOM 0 HZ1 LYS A 38 23.433 -10.141 -12.123 1.00 42.22 H new ATOM 0 HZ2 LYS A 38 22.229 -9.086 -11.556 1.00 42.22 H new ATOM 0 HZ3 LYS A 38 21.806 -10.630 -12.125 1.00 42.22 H new ATOM 583 N GLU A 39 15.229 -8.887 -14.256 1.00 31.11 N ATOM 584 CA GLU A 39 14.073 -8.403 -15.001 1.00 72.11 C ATOM 585 C GLU A 39 13.027 -7.813 -14.060 1.00 0.54 C ATOM 586 O GLU A 39 12.362 -6.830 -14.390 1.00 12.10 O ATOM 587 CB GLU A 39 13.455 -9.538 -15.820 1.00 55.13 C ATOM 588 CG GLU A 39 14.360 -10.053 -16.927 1.00 14.22 C ATOM 589 CD GLU A 39 14.633 -9.008 -17.991 1.00 12.52 C ATOM 590 OE1 GLU A 39 13.720 -8.209 -18.287 1.00 1.53 O ATOM 591 OE2 GLU A 39 15.761 -8.989 -18.527 1.00 55.24 O ATOM 0 H GLU A 39 15.272 -9.901 -14.155 1.00 31.11 H new ATOM 0 HA GLU A 39 14.412 -7.618 -15.678 1.00 72.11 H new ATOM 0 HB2 GLU A 39 13.206 -10.363 -15.152 1.00 55.13 H new ATOM 0 HB3 GLU A 39 12.520 -9.190 -16.259 1.00 55.13 H new ATOM 0 HG2 GLU A 39 15.305 -10.382 -16.495 1.00 14.22 H new ATOM 0 HG3 GLU A 39 13.900 -10.926 -17.390 1.00 14.22 H new ATOM 598 N LEU A 40 12.887 -8.419 -12.886 1.00 10.31 N ATOM 599 CA LEU A 40 11.922 -7.954 -11.895 1.00 70.32 C ATOM 600 C LEU A 40 12.408 -6.677 -11.219 1.00 2.34 C ATOM 601 O LEU A 40 11.666 -5.702 -11.102 1.00 15.34 O ATOM 602 CB LEU A 40 11.677 -9.039 -10.845 1.00 71.53 C ATOM 603 CG LEU A 40 10.542 -10.019 -11.145 1.00 34.02 C ATOM 604 CD1 LEU A 40 9.223 -9.277 -11.297 1.00 72.14 C ATOM 605 CD2 LEU A 40 10.850 -10.826 -12.398 1.00 12.22 C ATOM 0 H LEU A 40 13.429 -9.233 -12.597 1.00 10.31 H new ATOM 0 HA LEU A 40 10.986 -7.737 -12.410 1.00 70.32 H new ATOM 0 HB2 LEU A 40 12.598 -9.608 -10.718 1.00 71.53 H new ATOM 0 HB3 LEU A 40 11.469 -8.553 -9.892 1.00 71.53 H new ATOM 0 HG LEU A 40 10.453 -10.709 -10.306 1.00 34.02 H new ATOM 0 HD11 LEU A 40 8.427 -9.990 -11.510 1.00 72.14 H new ATOM 0 HD12 LEU A 40 8.996 -8.745 -10.373 1.00 72.14 H new ATOM 0 HD13 LEU A 40 9.300 -8.563 -12.117 1.00 72.14 H new ATOM 0 HD21 LEU A 40 10.031 -11.518 -12.596 1.00 12.22 H new ATOM 0 HD22 LEU A 40 10.967 -10.151 -13.246 1.00 12.22 H new ATOM 0 HD23 LEU A 40 11.772 -11.388 -12.251 1.00 12.22 H new ATOM 617 N LYS A 41 13.661 -6.688 -10.776 1.00 50.41 N ATOM 618 CA LYS A 41 14.249 -5.529 -10.114 1.00 63.32 C ATOM 619 C LYS A 41 14.107 -4.279 -10.977 1.00 20.33 C ATOM 620 O LYS A 41 13.568 -3.264 -10.534 1.00 22.32 O ATOM 621 CB LYS A 41 15.727 -5.786 -9.809 1.00 71.15 C ATOM 622 CG LYS A 41 15.960 -6.962 -8.876 1.00 41.25 C ATOM 623 CD LYS A 41 17.032 -6.651 -7.845 1.00 15.01 C ATOM 624 CE LYS A 41 18.389 -7.189 -8.272 1.00 12.44 C ATOM 625 NZ LYS A 41 19.500 -6.559 -7.507 1.00 4.42 N ATOM 0 H LYS A 41 14.289 -7.487 -10.863 1.00 50.41 H new ATOM 0 HA LYS A 41 13.714 -5.366 -9.179 1.00 63.32 H new ATOM 0 HB2 LYS A 41 16.257 -5.965 -10.745 1.00 71.15 H new ATOM 0 HB3 LYS A 41 16.159 -4.889 -9.365 1.00 71.15 H new ATOM 0 HG2 LYS A 41 15.029 -7.216 -8.369 1.00 41.25 H new ATOM 0 HG3 LYS A 41 16.255 -7.836 -9.457 1.00 41.25 H new ATOM 0 HD2 LYS A 41 17.096 -5.573 -7.699 1.00 15.01 H new ATOM 0 HD3 LYS A 41 16.753 -7.086 -6.885 1.00 15.01 H new ATOM 0 HE2 LYS A 41 18.414 -8.269 -8.126 1.00 12.44 H new ATOM 0 HE3 LYS A 41 18.533 -7.008 -9.337 1.00 12.44 H new ATOM 0 HZ1 LYS A 41 20.408 -6.952 -7.827 1.00 4.42 H new ATOM 0 HZ2 LYS A 41 19.492 -5.531 -7.666 1.00 4.42 H new ATOM 0 HZ3 LYS A 41 19.377 -6.753 -6.493 1.00 4.42 H new ATOM 639 N THR A 42 14.592 -4.359 -12.212 1.00 24.42 N ATOM 640 CA THR A 42 14.519 -3.235 -13.136 1.00 70.23 C ATOM 641 C THR A 42 13.075 -2.804 -13.364 1.00 13.12 C ATOM 642 O THR A 42 12.798 -1.627 -13.594 1.00 35.11 O ATOM 643 CB THR A 42 15.159 -3.581 -14.494 1.00 23.42 C ATOM 644 OG1 THR A 42 15.309 -2.395 -15.282 1.00 31.13 O ATOM 645 CG2 THR A 42 14.312 -4.594 -15.249 1.00 63.40 C ATOM 0 H THR A 42 15.040 -5.191 -12.595 1.00 24.42 H new ATOM 0 HA THR A 42 15.073 -2.415 -12.680 1.00 70.23 H new ATOM 0 HB THR A 42 16.140 -4.018 -14.307 1.00 23.42 H new ATOM 0 HG1 THR A 42 15.718 -2.624 -16.143 1.00 31.13 H new ATOM 0 HG21 THR A 42 14.784 -4.823 -16.205 1.00 63.40 H new ATOM 0 HG22 THR A 42 14.225 -5.507 -14.660 1.00 63.40 H new ATOM 0 HG23 THR A 42 13.319 -4.179 -15.425 1.00 63.40 H new ATOM 653 N MET A 43 12.158 -3.764 -13.297 1.00 51.34 N ATOM 654 CA MET A 43 10.741 -3.481 -13.495 1.00 32.45 C ATOM 655 C MET A 43 10.225 -2.518 -12.430 1.00 43.13 C ATOM 656 O MET A 43 9.488 -1.581 -12.733 1.00 75.22 O ATOM 657 CB MET A 43 9.931 -4.779 -13.460 1.00 12.21 C ATOM 658 CG MET A 43 9.079 -4.997 -14.700 1.00 11.41 C ATOM 659 SD MET A 43 8.622 -6.725 -14.934 1.00 62.10 S ATOM 660 CE MET A 43 8.900 -6.913 -16.693 1.00 63.44 C ATOM 0 H MET A 43 12.370 -4.743 -13.107 1.00 51.34 H new ATOM 0 HA MET A 43 10.622 -3.012 -14.472 1.00 32.45 H new ATOM 0 HB2 MET A 43 10.614 -5.621 -13.346 1.00 12.21 H new ATOM 0 HB3 MET A 43 9.285 -4.771 -12.582 1.00 12.21 H new ATOM 0 HG2 MET A 43 8.175 -4.393 -14.625 1.00 11.41 H new ATOM 0 HG3 MET A 43 9.624 -4.648 -15.577 1.00 11.41 H new ATOM 0 HE1 MET A 43 8.096 -7.508 -17.127 1.00 63.44 H new ATOM 0 HE2 MET A 43 8.920 -5.931 -17.165 1.00 63.44 H new ATOM 0 HE3 MET A 43 9.853 -7.415 -16.859 1.00 63.44 H new ATOM 670 N ASN A 44 10.619 -2.755 -11.183 1.00 53.01 N ATOM 671 CA ASN A 44 10.195 -1.908 -10.074 1.00 21.00 C ATOM 672 C ASN A 44 10.633 -0.463 -10.295 1.00 22.45 C ATOM 673 O ASN A 44 9.898 0.473 -9.983 1.00 3.20 O ATOM 674 CB ASN A 44 10.770 -2.432 -8.757 1.00 4.35 C ATOM 675 CG ASN A 44 9.902 -2.078 -7.565 1.00 12.40 C ATOM 676 OD1 ASN A 44 8.781 -2.569 -7.432 1.00 53.32 O ATOM 677 ND2 ASN A 44 10.417 -1.221 -6.691 1.00 41.42 N ATOM 0 H ASN A 44 11.231 -3.526 -10.915 1.00 53.01 H new ATOM 0 HA ASN A 44 9.107 -1.935 -10.024 1.00 21.00 H new ATOM 0 HB2 ASN A 44 10.877 -3.515 -8.816 1.00 4.35 H new ATOM 0 HB3 ASN A 44 11.769 -2.021 -8.611 1.00 4.35 H new ATOM 0 HD21 ASN A 44 9.879 -0.945 -5.870 1.00 41.42 H new ATOM 0 HD22 ASN A 44 11.351 -0.839 -6.841 1.00 41.42 H new ATOM 684 N ALA A 45 11.835 -0.291 -10.835 1.00 23.25 N ATOM 685 CA ALA A 45 12.370 1.038 -11.099 1.00 44.55 C ATOM 686 C ALA A 45 11.417 1.851 -11.969 1.00 72.31 C ATOM 687 O ALA A 45 11.405 3.080 -11.913 1.00 31.03 O ATOM 688 CB ALA A 45 13.735 0.935 -11.764 1.00 4.44 C ATOM 0 H ALA A 45 12.456 -1.056 -11.098 1.00 23.25 H new ATOM 0 HA ALA A 45 12.480 1.554 -10.145 1.00 44.55 H new ATOM 0 HB1 ALA A 45 14.123 1.935 -11.956 1.00 4.44 H new ATOM 0 HB2 ALA A 45 14.420 0.400 -11.107 1.00 4.44 H new ATOM 0 HB3 ALA A 45 13.641 0.396 -12.707 1.00 4.44 H new ATOM 694 N ALA A 46 10.619 1.156 -12.773 1.00 63.54 N ATOM 695 CA ALA A 46 9.662 1.813 -13.654 1.00 74.30 C ATOM 696 C ALA A 46 8.587 2.538 -12.852 1.00 13.50 C ATOM 697 O ALA A 46 8.256 3.690 -13.137 1.00 41.34 O ATOM 698 CB ALA A 46 9.027 0.799 -14.594 1.00 72.41 C ATOM 0 H ALA A 46 10.617 0.138 -12.832 1.00 63.54 H new ATOM 0 HA ALA A 46 10.200 2.554 -14.246 1.00 74.30 H new ATOM 0 HB1 ALA A 46 8.314 1.304 -15.246 1.00 72.41 H new ATOM 0 HB2 ALA A 46 9.802 0.328 -15.199 1.00 72.41 H new ATOM 0 HB3 ALA A 46 8.509 0.037 -14.011 1.00 72.41 H new ATOM 704 N LEU A 47 8.044 1.858 -11.848 1.00 52.43 N ATOM 705 CA LEU A 47 7.005 2.439 -11.005 1.00 32.45 C ATOM 706 C LEU A 47 7.481 3.744 -10.374 1.00 74.44 C ATOM 707 O LEU A 47 6.674 4.604 -10.021 1.00 53.12 O ATOM 708 CB LEU A 47 6.597 1.450 -9.911 1.00 22.21 C ATOM 709 CG LEU A 47 7.469 1.442 -8.655 1.00 32.34 C ATOM 710 CD1 LEU A 47 6.838 2.290 -7.562 1.00 11.44 C ATOM 711 CD2 LEU A 47 7.688 0.017 -8.167 1.00 12.14 C ATOM 0 H LEU A 47 8.306 0.904 -11.598 1.00 52.43 H new ATOM 0 HA LEU A 47 6.141 2.655 -11.633 1.00 32.45 H new ATOM 0 HB2 LEU A 47 5.571 1.669 -9.615 1.00 22.21 H new ATOM 0 HB3 LEU A 47 6.599 0.447 -10.337 1.00 22.21 H new ATOM 0 HG LEU A 47 8.439 1.872 -8.906 1.00 32.34 H new ATOM 0 HD11 LEU A 47 7.473 2.272 -6.676 1.00 11.44 H new ATOM 0 HD12 LEU A 47 6.733 3.317 -7.913 1.00 11.44 H new ATOM 0 HD13 LEU A 47 5.855 1.890 -7.313 1.00 11.44 H new ATOM 0 HD21 LEU A 47 8.311 0.030 -7.272 1.00 12.14 H new ATOM 0 HD22 LEU A 47 6.726 -0.439 -7.933 1.00 12.14 H new ATOM 0 HD23 LEU A 47 8.184 -0.562 -8.946 1.00 12.14 H new ATOM 723 N ILE A 48 8.795 3.884 -10.239 1.00 11.33 N ATOM 724 CA ILE A 48 9.378 5.086 -9.655 1.00 33.14 C ATOM 725 C ILE A 48 9.335 6.251 -10.637 1.00 51.22 C ATOM 726 O ILE A 48 8.997 7.376 -10.269 1.00 41.50 O ATOM 727 CB ILE A 48 10.836 4.850 -9.219 1.00 31.30 C ATOM 728 CG1 ILE A 48 10.910 3.704 -8.207 1.00 13.51 C ATOM 729 CG2 ILE A 48 11.426 6.123 -8.631 1.00 33.45 C ATOM 730 CD1 ILE A 48 12.302 3.137 -8.037 1.00 14.11 C ATOM 0 H ILE A 48 9.476 3.181 -10.526 1.00 11.33 H new ATOM 0 HA ILE A 48 8.780 5.332 -8.777 1.00 33.14 H new ATOM 0 HB ILE A 48 11.422 4.573 -10.096 1.00 31.30 H new ATOM 0 HG12 ILE A 48 10.551 4.059 -7.241 1.00 13.51 H new ATOM 0 HG13 ILE A 48 10.238 2.907 -8.524 1.00 13.51 H new ATOM 0 HG21 ILE A 48 12.457 5.940 -8.328 1.00 33.45 H new ATOM 0 HG22 ILE A 48 11.403 6.914 -9.380 1.00 33.45 H new ATOM 0 HG23 ILE A 48 10.841 6.428 -7.763 1.00 33.45 H new ATOM 0 HD11 ILE A 48 12.279 2.329 -7.305 1.00 14.11 H new ATOM 0 HD12 ILE A 48 12.657 2.751 -8.993 1.00 14.11 H new ATOM 0 HD13 ILE A 48 12.975 3.922 -7.690 1.00 14.11 H new ATOM 742 N LYS A 49 9.678 5.974 -11.891 1.00 30.04 N ATOM 743 CA LYS A 49 9.676 6.997 -12.929 1.00 43.40 C ATOM 744 C LYS A 49 8.254 7.312 -13.381 1.00 33.31 C ATOM 745 O LYS A 49 7.848 8.474 -13.422 1.00 22.32 O ATOM 746 CB LYS A 49 10.514 6.540 -14.126 1.00 14.43 C ATOM 747 CG LYS A 49 12.006 6.755 -13.941 1.00 71.43 C ATOM 748 CD LYS A 49 12.641 5.614 -13.163 1.00 51.41 C ATOM 749 CE LYS A 49 14.154 5.610 -13.316 1.00 2.20 C ATOM 750 NZ LYS A 49 14.779 6.805 -12.683 1.00 70.24 N ATOM 0 H LYS A 49 9.961 5.048 -12.213 1.00 30.04 H new ATOM 0 HA LYS A 49 10.114 7.903 -12.511 1.00 43.40 H new ATOM 0 HB2 LYS A 49 10.328 5.481 -14.306 1.00 14.43 H new ATOM 0 HB3 LYS A 49 10.185 7.078 -15.015 1.00 14.43 H new ATOM 0 HG2 LYS A 49 12.486 6.843 -14.916 1.00 71.43 H new ATOM 0 HG3 LYS A 49 12.177 7.695 -13.415 1.00 71.43 H new ATOM 0 HD2 LYS A 49 12.381 5.702 -12.108 1.00 51.41 H new ATOM 0 HD3 LYS A 49 12.236 4.664 -13.513 1.00 51.41 H new ATOM 0 HE2 LYS A 49 14.562 4.705 -12.866 1.00 2.20 H new ATOM 0 HE3 LYS A 49 14.412 5.583 -14.375 1.00 2.20 H new ATOM 0 HZ1 LYS A 49 15.811 6.765 -12.809 1.00 70.24 H new ATOM 0 HZ2 LYS A 49 14.409 7.668 -13.130 1.00 70.24 H new ATOM 0 HZ3 LYS A 49 14.555 6.817 -11.668 1.00 70.24 H new ATOM 764 N ILE A 50 7.501 6.270 -13.717 1.00 71.15 N ATOM 765 CA ILE A 50 6.123 6.436 -14.163 1.00 62.24 C ATOM 766 C ILE A 50 5.222 6.874 -13.014 1.00 4.41 C ATOM 767 O ILE A 50 4.170 7.474 -13.230 1.00 30.21 O ATOM 768 CB ILE A 50 5.567 5.134 -14.769 1.00 33.42 C ATOM 769 CG1 ILE A 50 5.433 4.059 -13.688 1.00 1.23 C ATOM 770 CG2 ILE A 50 6.464 4.648 -15.897 1.00 41.45 C ATOM 771 CD1 ILE A 50 4.008 3.830 -13.237 1.00 33.24 C ATOM 0 H ILE A 50 7.822 5.302 -13.689 1.00 71.15 H new ATOM 0 HA ILE A 50 6.131 7.210 -14.930 1.00 62.24 H new ATOM 0 HB ILE A 50 4.578 5.336 -15.179 1.00 33.42 H new ATOM 0 HG12 ILE A 50 5.841 3.122 -14.067 1.00 1.23 H new ATOM 0 HG13 ILE A 50 6.037 4.344 -12.827 1.00 1.23 H new ATOM 0 HG21 ILE A 50 6.057 3.727 -16.314 1.00 41.45 H new ATOM 0 HG22 ILE A 50 6.513 5.409 -16.676 1.00 41.45 H new ATOM 0 HG23 ILE A 50 7.465 4.459 -15.510 1.00 41.45 H new ATOM 0 HD11 ILE A 50 3.989 3.055 -12.470 1.00 33.24 H new ATOM 0 HD12 ILE A 50 3.603 4.755 -12.828 1.00 33.24 H new ATOM 0 HD13 ILE A 50 3.404 3.514 -14.087 1.00 33.24 H new ATOM 783 N GLY A 51 5.645 6.572 -11.790 1.00 14.43 N ATOM 784 CA GLY A 51 4.865 6.944 -10.623 1.00 43.44 C ATOM 785 C GLY A 51 5.054 8.399 -10.239 1.00 64.55 C ATOM 786 O GLY A 51 4.246 8.962 -9.503 1.00 54.32 O ATOM 0 H GLY A 51 6.513 6.077 -11.586 1.00 14.43 H new ATOM 0 HA2 GLY A 51 3.809 6.758 -10.821 1.00 43.44 H new ATOM 0 HA3 GLY A 51 5.149 6.310 -9.783 1.00 43.44 H new ATOM 790 N GLU A 52 6.126 9.006 -10.738 1.00 44.22 N ATOM 791 CA GLU A 52 6.420 10.403 -10.440 1.00 54.12 C ATOM 792 C GLU A 52 5.289 11.310 -10.918 1.00 1.24 C ATOM 793 O GLU A 52 5.043 12.370 -10.342 1.00 3.23 O ATOM 794 CB GLU A 52 7.736 10.822 -11.097 1.00 45.31 C ATOM 795 CG GLU A 52 8.489 11.892 -10.324 1.00 21.25 C ATOM 796 CD GLU A 52 9.332 11.316 -9.202 1.00 43.33 C ATOM 797 OE1 GLU A 52 8.754 10.717 -8.272 1.00 10.22 O ATOM 798 OE2 GLU A 52 10.571 11.465 -9.256 1.00 1.20 O ATOM 0 H GLU A 52 6.805 8.553 -11.350 1.00 44.22 H new ATOM 0 HA GLU A 52 6.514 10.506 -9.359 1.00 54.12 H new ATOM 0 HB2 GLU A 52 8.375 9.945 -11.203 1.00 45.31 H new ATOM 0 HB3 GLU A 52 7.530 11.189 -12.102 1.00 45.31 H new ATOM 0 HG2 GLU A 52 9.131 12.446 -11.009 1.00 21.25 H new ATOM 0 HG3 GLU A 52 7.776 12.605 -9.909 1.00 21.25 H new ATOM 805 N VAL A 53 4.604 10.886 -11.975 1.00 23.10 N ATOM 806 CA VAL A 53 3.500 11.658 -12.531 1.00 15.45 C ATOM 807 C VAL A 53 2.235 11.488 -11.696 1.00 23.12 C ATOM 808 O VAL A 53 2.030 10.469 -11.037 1.00 34.45 O ATOM 809 CB VAL A 53 3.201 11.246 -13.984 1.00 63.32 C ATOM 810 CG1 VAL A 53 4.446 11.391 -14.847 1.00 33.23 C ATOM 811 CG2 VAL A 53 2.670 9.821 -14.035 1.00 5.01 C ATOM 0 H VAL A 53 4.795 10.011 -12.464 1.00 23.10 H new ATOM 0 HA VAL A 53 3.806 12.704 -12.514 1.00 15.45 H new ATOM 0 HB VAL A 53 2.433 11.910 -14.381 1.00 63.32 H new ATOM 0 HG11 VAL A 53 4.216 11.095 -15.871 1.00 33.23 H new ATOM 0 HG12 VAL A 53 4.778 12.429 -14.835 1.00 33.23 H new ATOM 0 HG13 VAL A 53 5.237 10.752 -14.454 1.00 33.23 H new ATOM 0 HG21 VAL A 53 2.464 9.546 -15.069 1.00 5.01 H new ATOM 0 HG22 VAL A 53 3.414 9.141 -13.620 1.00 5.01 H new ATOM 0 HG23 VAL A 53 1.751 9.754 -13.452 1.00 5.01 H new ATOM 821 N PRO A 54 1.366 12.509 -11.723 1.00 70.03 N ATOM 822 CA PRO A 54 0.105 12.496 -10.975 1.00 64.32 C ATOM 823 C PRO A 54 -0.897 11.499 -11.546 1.00 71.31 C ATOM 824 O PRO A 54 -0.725 10.968 -12.643 1.00 64.54 O ATOM 825 CB PRO A 54 -0.415 13.927 -11.132 1.00 31.30 C ATOM 826 CG PRO A 54 0.199 14.417 -12.398 1.00 23.35 C ATOM 827 CD PRO A 54 1.546 13.755 -12.487 1.00 65.22 C ATOM 0 HA PRO A 54 0.249 12.192 -9.938 1.00 64.32 H new ATOM 0 HB2 PRO A 54 -1.503 13.949 -11.186 1.00 31.30 H new ATOM 0 HB3 PRO A 54 -0.125 14.549 -10.285 1.00 31.30 H new ATOM 0 HG2 PRO A 54 -0.420 14.160 -13.257 1.00 23.35 H new ATOM 0 HG3 PRO A 54 0.297 15.503 -12.390 1.00 23.35 H new ATOM 0 HD2 PRO A 54 1.828 13.555 -13.521 1.00 65.22 H new ATOM 0 HD3 PRO A 54 2.330 14.380 -12.058 1.00 65.22 H new ATOM 835 N PRO A 55 -1.971 11.237 -10.786 1.00 51.24 N ATOM 836 CA PRO A 55 -3.023 10.303 -11.198 1.00 31.24 C ATOM 837 C PRO A 55 -3.853 10.839 -12.359 1.00 13.12 C ATOM 838 O PRO A 55 -4.674 10.121 -12.931 1.00 44.43 O ATOM 839 CB PRO A 55 -3.887 10.166 -9.941 1.00 62.12 C ATOM 840 CG PRO A 55 -3.663 11.431 -9.188 1.00 0.51 C ATOM 841 CD PRO A 55 -2.241 11.834 -9.468 1.00 14.04 C ATOM 0 HA PRO A 55 -2.612 9.359 -11.555 1.00 31.24 H new ATOM 0 HB2 PRO A 55 -4.939 10.038 -10.196 1.00 62.12 H new ATOM 0 HB3 PRO A 55 -3.594 9.297 -9.352 1.00 62.12 H new ATOM 0 HG2 PRO A 55 -4.359 12.206 -9.511 1.00 0.51 H new ATOM 0 HG3 PRO A 55 -3.824 11.283 -8.120 1.00 0.51 H new ATOM 0 HD2 PRO A 55 -2.127 12.918 -9.487 1.00 14.04 H new ATOM 0 HD3 PRO A 55 -1.559 11.455 -8.707 1.00 14.04 H new ATOM 849 N ASP A 56 -3.635 12.104 -12.702 1.00 23.33 N ATOM 850 CA ASP A 56 -4.362 12.736 -13.796 1.00 60.24 C ATOM 851 C ASP A 56 -3.862 12.228 -15.145 1.00 41.54 C ATOM 852 O ASP A 56 -4.592 12.251 -16.136 1.00 63.21 O ATOM 853 CB ASP A 56 -4.216 14.256 -13.723 1.00 43.53 C ATOM 854 CG ASP A 56 -5.164 14.975 -14.663 1.00 12.25 C ATOM 855 OD1 ASP A 56 -6.391 14.901 -14.439 1.00 2.44 O ATOM 856 OD2 ASP A 56 -4.680 15.612 -15.621 1.00 41.11 O ATOM 0 H ASP A 56 -2.960 12.712 -12.238 1.00 23.33 H new ATOM 0 HA ASP A 56 -5.416 12.476 -13.698 1.00 60.24 H new ATOM 0 HB2 ASP A 56 -4.402 14.587 -12.701 1.00 43.53 H new ATOM 0 HB3 ASP A 56 -3.190 14.532 -13.966 1.00 43.53 H new ATOM 861 N GLN A 57 -2.614 11.773 -15.175 1.00 4.21 N ATOM 862 CA GLN A 57 -2.016 11.262 -16.403 1.00 12.30 C ATOM 863 C GLN A 57 -2.118 9.742 -16.466 1.00 64.12 C ATOM 864 O GLN A 57 -1.428 9.095 -17.256 1.00 52.42 O ATOM 865 CB GLN A 57 -0.551 11.692 -16.500 1.00 13.04 C ATOM 866 CG GLN A 57 -0.362 13.082 -17.085 1.00 14.45 C ATOM 867 CD GLN A 57 1.007 13.660 -16.785 1.00 52.35 C ATOM 868 OE1 GLN A 57 2.013 13.223 -17.344 1.00 43.43 O ATOM 869 NE2 GLN A 57 1.052 14.649 -15.900 1.00 31.32 N ATOM 0 H GLN A 57 -1.997 11.748 -14.363 1.00 4.21 H new ATOM 0 HA GLN A 57 -2.566 11.680 -17.246 1.00 12.30 H new ATOM 0 HB2 GLN A 57 -0.106 11.662 -15.506 1.00 13.04 H new ATOM 0 HB3 GLN A 57 -0.010 10.972 -17.114 1.00 13.04 H new ATOM 0 HG2 GLN A 57 -0.506 13.040 -18.165 1.00 14.45 H new ATOM 0 HG3 GLN A 57 -1.128 13.747 -16.687 1.00 14.45 H new ATOM 0 HE21 GLN A 57 0.193 14.980 -15.461 1.00 31.32 H new ATOM 0 HE22 GLN A 57 1.946 15.078 -15.659 1.00 31.32 H new ATOM 878 N LEU A 58 -2.981 9.176 -15.630 1.00 4.44 N ATOM 879 CA LEU A 58 -3.172 7.731 -15.590 1.00 35.32 C ATOM 880 C LEU A 58 -4.339 7.312 -16.479 1.00 64.52 C ATOM 881 O LEU A 58 -5.442 7.845 -16.365 1.00 35.52 O ATOM 882 CB LEU A 58 -3.420 7.269 -14.153 1.00 34.31 C ATOM 883 CG LEU A 58 -2.176 6.917 -13.337 1.00 10.02 C ATOM 884 CD1 LEU A 58 -1.540 5.637 -13.857 1.00 54.33 C ATOM 885 CD2 LEU A 58 -1.176 8.063 -13.369 1.00 45.12 C ATOM 0 H LEU A 58 -3.560 9.696 -14.970 1.00 4.44 H new ATOM 0 HA LEU A 58 -2.264 7.259 -15.965 1.00 35.32 H new ATOM 0 HB2 LEU A 58 -3.964 8.055 -13.629 1.00 34.31 H new ATOM 0 HB3 LEU A 58 -4.071 6.395 -14.181 1.00 34.31 H new ATOM 0 HG LEU A 58 -2.478 6.753 -12.303 1.00 10.02 H new ATOM 0 HD11 LEU A 58 -0.656 5.403 -13.264 1.00 54.33 H new ATOM 0 HD12 LEU A 58 -2.256 4.818 -13.781 1.00 54.33 H new ATOM 0 HD13 LEU A 58 -1.252 5.771 -14.900 1.00 54.33 H new ATOM 0 HD21 LEU A 58 -0.297 7.795 -12.783 1.00 45.12 H new ATOM 0 HD22 LEU A 58 -0.880 8.259 -14.400 1.00 45.12 H new ATOM 0 HD23 LEU A 58 -1.634 8.958 -12.947 1.00 45.12 H new ATOM 897 N ASP A 59 -4.087 6.353 -17.363 1.00 65.34 N ATOM 898 CA ASP A 59 -5.116 5.859 -18.270 1.00 52.04 C ATOM 899 C ASP A 59 -5.508 4.427 -17.920 1.00 12.03 C ATOM 900 O ASP A 59 -4.909 3.806 -17.042 1.00 2.11 O ATOM 901 CB ASP A 59 -4.626 5.927 -19.718 1.00 34.03 C ATOM 902 CG ASP A 59 -3.784 7.158 -19.987 1.00 1.45 C ATOM 903 OD1 ASP A 59 -2.602 7.167 -19.584 1.00 41.43 O ATOM 904 OD2 ASP A 59 -4.307 8.114 -20.598 1.00 61.54 O ATOM 0 H ASP A 59 -3.178 5.902 -17.471 1.00 65.34 H new ATOM 0 HA ASP A 59 -5.995 6.494 -18.162 1.00 52.04 H new ATOM 0 HB2 ASP A 59 -4.042 5.035 -19.943 1.00 34.03 H new ATOM 0 HB3 ASP A 59 -5.485 5.924 -20.390 1.00 34.03 H new ATOM 909 N SER A 60 -6.519 3.909 -18.611 1.00 4.32 N ATOM 910 CA SER A 60 -6.994 2.552 -18.369 1.00 51.11 C ATOM 911 C SER A 60 -5.968 1.525 -18.839 1.00 10.34 C ATOM 912 O SER A 60 -5.879 0.427 -18.291 1.00 1.03 O ATOM 913 CB SER A 60 -8.327 2.321 -19.084 1.00 11.34 C ATOM 914 OG SER A 60 -9.110 3.502 -19.097 1.00 1.51 O ATOM 0 H SER A 60 -7.025 4.409 -19.343 1.00 4.32 H new ATOM 0 HA SER A 60 -7.139 2.430 -17.296 1.00 51.11 H new ATOM 0 HB2 SER A 60 -8.142 1.992 -20.107 1.00 11.34 H new ATOM 0 HB3 SER A 60 -8.877 1.522 -18.586 1.00 11.34 H new ATOM 0 HG SER A 60 -9.956 3.329 -19.561 1.00 1.51 H new ATOM 920 N GLN A 61 -5.196 1.892 -19.856 1.00 51.25 N ATOM 921 CA GLN A 61 -4.177 1.003 -20.401 1.00 4.14 C ATOM 922 C GLN A 61 -3.085 0.732 -19.371 1.00 3.21 C ATOM 923 O GLN A 61 -2.597 -0.392 -19.250 1.00 42.31 O ATOM 924 CB GLN A 61 -3.563 1.609 -21.664 1.00 74.33 C ATOM 925 CG GLN A 61 -4.389 1.366 -22.918 1.00 24.43 C ATOM 926 CD GLN A 61 -3.566 1.467 -24.187 1.00 2.31 C ATOM 927 OE1 GLN A 61 -2.349 1.276 -24.169 1.00 15.30 O ATOM 928 NE2 GLN A 61 -4.227 1.769 -25.298 1.00 45.34 N ATOM 0 H GLN A 61 -5.257 2.799 -20.319 1.00 51.25 H new ATOM 0 HA GLN A 61 -4.655 0.057 -20.656 1.00 4.14 H new ATOM 0 HB2 GLN A 61 -3.443 2.683 -21.520 1.00 74.33 H new ATOM 0 HB3 GLN A 61 -2.566 1.193 -21.809 1.00 74.33 H new ATOM 0 HG2 GLN A 61 -4.845 0.377 -22.863 1.00 24.43 H new ATOM 0 HG3 GLN A 61 -5.203 2.090 -22.959 1.00 24.43 H new ATOM 0 HE21 GLN A 61 -5.235 1.919 -25.267 1.00 45.34 H new ATOM 0 HE22 GLN A 61 -3.726 1.851 -26.183 1.00 45.34 H new ATOM 937 N ASP A 62 -2.706 1.769 -18.631 1.00 63.44 N ATOM 938 CA ASP A 62 -1.671 1.642 -17.611 1.00 55.41 C ATOM 939 C ASP A 62 -2.007 0.521 -16.633 1.00 15.34 C ATOM 940 O ASP A 62 -1.129 -0.226 -16.202 1.00 2.22 O ATOM 941 CB ASP A 62 -1.506 2.962 -16.856 1.00 40.33 C ATOM 942 CG ASP A 62 -0.247 2.993 -16.013 1.00 22.25 C ATOM 943 OD1 ASP A 62 0.843 3.219 -16.580 1.00 13.22 O ATOM 944 OD2 ASP A 62 -0.351 2.791 -14.785 1.00 21.03 O ATOM 0 H ASP A 62 -3.100 2.706 -18.718 1.00 63.44 H new ATOM 0 HA ASP A 62 -0.733 1.397 -18.108 1.00 55.41 H new ATOM 0 HB2 ASP A 62 -1.482 3.785 -17.570 1.00 40.33 H new ATOM 0 HB3 ASP A 62 -2.373 3.121 -16.215 1.00 40.33 H new ATOM 949 N LYS A 63 -3.285 0.410 -16.284 1.00 61.14 N ATOM 950 CA LYS A 63 -3.739 -0.620 -15.357 1.00 3.51 C ATOM 951 C LYS A 63 -3.464 -2.013 -15.914 1.00 10.24 C ATOM 952 O LYS A 63 -3.166 -2.944 -15.165 1.00 32.25 O ATOM 953 CB LYS A 63 -5.234 -0.457 -15.074 1.00 60.34 C ATOM 954 CG LYS A 63 -5.545 0.606 -14.035 1.00 62.20 C ATOM 955 CD LYS A 63 -5.320 2.005 -14.584 1.00 31.21 C ATOM 956 CE LYS A 63 -5.724 3.070 -13.577 1.00 15.34 C ATOM 957 NZ LYS A 63 -7.204 3.163 -13.431 1.00 24.34 N ATOM 0 H LYS A 63 -4.025 1.021 -16.630 1.00 61.14 H new ATOM 0 HA LYS A 63 -3.185 -0.505 -14.425 1.00 3.51 H new ATOM 0 HB2 LYS A 63 -5.746 -0.205 -16.003 1.00 60.34 H new ATOM 0 HB3 LYS A 63 -5.637 -1.412 -14.736 1.00 60.34 H new ATOM 0 HG2 LYS A 63 -6.580 0.505 -13.708 1.00 62.20 H new ATOM 0 HG3 LYS A 63 -4.917 0.453 -13.157 1.00 62.20 H new ATOM 0 HD2 LYS A 63 -4.269 2.130 -14.845 1.00 31.21 H new ATOM 0 HD3 LYS A 63 -5.894 2.134 -15.502 1.00 31.21 H new ATOM 0 HE2 LYS A 63 -5.277 2.843 -12.609 1.00 15.34 H new ATOM 0 HE3 LYS A 63 -5.329 4.036 -13.892 1.00 15.34 H new ATOM 0 HZ1 LYS A 63 -7.444 3.986 -12.842 1.00 24.34 H new ATOM 0 HZ2 LYS A 63 -7.639 3.270 -14.369 1.00 24.34 H new ATOM 0 HZ3 LYS A 63 -7.563 2.298 -12.979 1.00 24.34 H new ATOM 971 N LEU A 64 -3.564 -2.149 -17.231 1.00 54.32 N ATOM 972 CA LEU A 64 -3.325 -3.429 -17.889 1.00 11.22 C ATOM 973 C LEU A 64 -1.835 -3.753 -17.924 1.00 40.40 C ATOM 974 O LEU A 64 -1.443 -4.920 -17.920 1.00 53.44 O ATOM 975 CB LEU A 64 -3.888 -3.407 -19.311 1.00 43.11 C ATOM 976 CG LEU A 64 -5.359 -3.795 -19.457 1.00 15.13 C ATOM 977 CD1 LEU A 64 -6.259 -2.672 -18.963 1.00 61.24 C ATOM 978 CD2 LEU A 64 -5.679 -4.140 -20.904 1.00 33.21 C ATOM 0 H LEU A 64 -3.809 -1.389 -17.865 1.00 54.32 H new ATOM 0 HA LEU A 64 -3.833 -4.205 -17.316 1.00 11.22 H new ATOM 0 HB2 LEU A 64 -3.756 -2.404 -19.717 1.00 43.11 H new ATOM 0 HB3 LEU A 64 -3.292 -4.081 -19.926 1.00 43.11 H new ATOM 0 HG LEU A 64 -5.544 -4.678 -18.845 1.00 15.13 H new ATOM 0 HD11 LEU A 64 -7.303 -2.966 -19.075 1.00 61.24 H new ATOM 0 HD12 LEU A 64 -6.049 -2.473 -17.912 1.00 61.24 H new ATOM 0 HD13 LEU A 64 -6.071 -1.771 -19.548 1.00 61.24 H new ATOM 0 HD21 LEU A 64 -6.731 -4.414 -20.989 1.00 33.21 H new ATOM 0 HD22 LEU A 64 -5.477 -3.276 -21.537 1.00 33.21 H new ATOM 0 HD23 LEU A 64 -5.059 -4.978 -21.224 1.00 33.21 H new ATOM 990 N TRP A 65 -1.010 -2.713 -17.956 1.00 43.31 N ATOM 991 CA TRP A 65 0.438 -2.887 -17.990 1.00 0.25 C ATOM 992 C TRP A 65 0.954 -3.416 -16.656 1.00 14.12 C ATOM 993 O TRP A 65 1.813 -4.296 -16.617 1.00 42.43 O ATOM 994 CB TRP A 65 1.124 -1.562 -18.326 1.00 40.22 C ATOM 995 CG TRP A 65 2.617 -1.617 -18.202 1.00 74.30 C ATOM 996 CD1 TRP A 65 3.463 -2.463 -18.860 1.00 71.41 C ATOM 997 CD2 TRP A 65 3.438 -0.794 -17.367 1.00 43.03 C ATOM 998 NE1 TRP A 65 4.761 -2.216 -18.485 1.00 2.43 N ATOM 999 CE2 TRP A 65 4.773 -1.196 -17.571 1.00 1.54 C ATOM 1000 CE3 TRP A 65 3.177 0.245 -16.470 1.00 32.43 C ATOM 1001 CZ2 TRP A 65 5.840 -0.595 -16.908 1.00 10.23 C ATOM 1002 CZ3 TRP A 65 4.237 0.840 -15.812 1.00 73.53 C ATOM 1003 CH2 TRP A 65 5.555 0.419 -16.034 1.00 51.44 C ATOM 0 H TRP A 65 -1.318 -1.741 -17.959 1.00 43.31 H new ATOM 0 HA TRP A 65 0.673 -3.617 -18.765 1.00 0.25 H new ATOM 0 HB2 TRP A 65 0.862 -1.273 -19.344 1.00 40.22 H new ATOM 0 HB3 TRP A 65 0.740 -0.785 -17.665 1.00 40.22 H new ATOM 0 HD1 TRP A 65 3.156 -3.216 -19.571 1.00 71.41 H new ATOM 0 HE1 TRP A 65 5.583 -2.712 -18.831 1.00 2.43 H new ATOM 0 HE3 TRP A 65 2.165 0.577 -16.294 1.00 32.43 H new ATOM 0 HZ2 TRP A 65 6.857 -0.918 -17.078 1.00 10.23 H new ATOM 0 HZ3 TRP A 65 4.046 1.643 -15.115 1.00 73.53 H new ATOM 0 HH2 TRP A 65 6.362 0.904 -15.505 1.00 51.44 H new ATOM 1014 N ALA A 66 0.423 -2.874 -15.564 1.00 60.42 N ATOM 1015 CA ALA A 66 0.829 -3.294 -14.229 1.00 33.33 C ATOM 1016 C ALA A 66 0.408 -4.734 -13.954 1.00 71.15 C ATOM 1017 O ALA A 66 1.068 -5.451 -13.202 1.00 71.22 O ATOM 1018 CB ALA A 66 0.240 -2.362 -13.181 1.00 11.44 C ATOM 0 H ALA A 66 -0.289 -2.144 -15.578 1.00 60.42 H new ATOM 0 HA ALA A 66 1.917 -3.244 -14.175 1.00 33.33 H new ATOM 0 HB1 ALA A 66 0.551 -2.688 -12.188 1.00 11.44 H new ATOM 0 HB2 ALA A 66 0.594 -1.346 -13.357 1.00 11.44 H new ATOM 0 HB3 ALA A 66 -0.848 -2.383 -13.245 1.00 11.44 H new ATOM 1024 N ASP A 67 -0.694 -5.151 -14.568 1.00 51.54 N ATOM 1025 CA ASP A 67 -1.203 -6.506 -14.390 1.00 41.45 C ATOM 1026 C ASP A 67 -0.207 -7.534 -14.919 1.00 55.43 C ATOM 1027 O ASP A 67 0.085 -8.527 -14.254 1.00 42.43 O ATOM 1028 CB ASP A 67 -2.547 -6.666 -15.102 1.00 72.01 C ATOM 1029 CG ASP A 67 -2.935 -8.120 -15.286 1.00 32.04 C ATOM 1030 OD1 ASP A 67 -3.384 -8.743 -14.301 1.00 3.23 O ATOM 1031 OD2 ASP A 67 -2.790 -8.636 -16.414 1.00 4.50 O ATOM 0 H ASP A 67 -1.252 -4.570 -15.194 1.00 51.54 H new ATOM 0 HA ASP A 67 -1.343 -6.678 -13.323 1.00 41.45 H new ATOM 0 HB2 ASP A 67 -3.321 -6.156 -14.529 1.00 72.01 H new ATOM 0 HB3 ASP A 67 -2.499 -6.180 -16.076 1.00 72.01 H new ATOM 1036 N GLU A 68 0.308 -7.288 -16.120 1.00 11.32 N ATOM 1037 CA GLU A 68 1.269 -8.194 -16.738 1.00 11.31 C ATOM 1038 C GLU A 68 2.549 -8.277 -15.911 1.00 15.54 C ATOM 1039 O GLU A 68 3.191 -9.325 -15.843 1.00 14.22 O ATOM 1040 CB GLU A 68 1.597 -7.733 -18.160 1.00 14.34 C ATOM 1041 CG GLU A 68 0.446 -7.907 -19.136 1.00 70.05 C ATOM 1042 CD GLU A 68 0.319 -9.332 -19.640 1.00 41.31 C ATOM 1043 OE1 GLU A 68 1.196 -9.768 -20.414 1.00 62.32 O ATOM 1044 OE2 GLU A 68 -0.658 -10.010 -19.259 1.00 51.04 O ATOM 0 H GLU A 68 0.076 -6.470 -16.683 1.00 11.32 H new ATOM 0 HA GLU A 68 0.819 -9.186 -16.780 1.00 11.31 H new ATOM 0 HB2 GLU A 68 1.885 -6.682 -18.135 1.00 14.34 H new ATOM 0 HB3 GLU A 68 2.459 -8.292 -18.524 1.00 14.34 H new ATOM 0 HG2 GLU A 68 -0.485 -7.613 -18.651 1.00 70.05 H new ATOM 0 HG3 GLU A 68 0.589 -7.237 -19.984 1.00 70.05 H new ATOM 1051 N VAL A 69 2.914 -7.163 -15.283 1.00 74.00 N ATOM 1052 CA VAL A 69 4.116 -7.109 -14.460 1.00 13.53 C ATOM 1053 C VAL A 69 3.902 -7.819 -13.128 1.00 1.33 C ATOM 1054 O VAL A 69 4.760 -8.574 -12.671 1.00 71.51 O ATOM 1055 CB VAL A 69 4.546 -5.654 -14.190 1.00 61.35 C ATOM 1056 CG1 VAL A 69 5.784 -5.618 -13.307 1.00 33.52 C ATOM 1057 CG2 VAL A 69 4.795 -4.922 -15.500 1.00 54.42 C ATOM 0 H VAL A 69 2.394 -6.286 -15.329 1.00 74.00 H new ATOM 0 HA VAL A 69 4.904 -7.616 -15.017 1.00 13.53 H new ATOM 0 HB VAL A 69 3.738 -5.146 -13.663 1.00 61.35 H new ATOM 0 HG11 VAL A 69 6.073 -4.582 -13.127 1.00 33.52 H new ATOM 0 HG12 VAL A 69 5.567 -6.104 -12.356 1.00 33.52 H new ATOM 0 HG13 VAL A 69 6.601 -6.141 -13.804 1.00 33.52 H new ATOM 0 HG21 VAL A 69 5.098 -3.896 -15.292 1.00 54.42 H new ATOM 0 HG22 VAL A 69 5.585 -5.428 -16.055 1.00 54.42 H new ATOM 0 HG23 VAL A 69 3.881 -4.917 -16.093 1.00 54.42 H new ATOM 1067 N ARG A 70 2.752 -7.571 -12.509 1.00 43.10 N ATOM 1068 CA ARG A 70 2.426 -8.186 -11.228 1.00 73.23 C ATOM 1069 C ARG A 70 2.213 -9.689 -11.386 1.00 22.04 C ATOM 1070 O ARG A 70 2.758 -10.485 -10.622 1.00 63.43 O ATOM 1071 CB ARG A 70 1.172 -7.542 -10.634 1.00 33.40 C ATOM 1072 CG ARG A 70 1.464 -6.574 -9.499 1.00 74.50 C ATOM 1073 CD ARG A 70 1.739 -7.310 -8.197 1.00 13.33 C ATOM 1074 NE ARG A 70 0.509 -7.618 -7.472 1.00 11.23 N ATOM 1075 CZ ARG A 70 0.421 -8.563 -6.543 1.00 34.22 C ATOM 1076 NH1 ARG A 70 1.485 -9.289 -6.227 1.00 54.42 N ATOM 1077 NH2 ARG A 70 -0.734 -8.784 -5.927 1.00 22.20 N ATOM 0 H ARG A 70 2.031 -6.949 -12.874 1.00 43.10 H new ATOM 0 HA ARG A 70 3.265 -8.024 -10.551 1.00 73.23 H new ATOM 0 HB2 ARG A 70 0.637 -7.013 -11.423 1.00 33.40 H new ATOM 0 HB3 ARG A 70 0.509 -8.326 -10.270 1.00 33.40 H new ATOM 0 HG2 ARG A 70 2.324 -5.957 -9.758 1.00 74.50 H new ATOM 0 HG3 ARG A 70 0.617 -5.901 -9.366 1.00 74.50 H new ATOM 0 HD2 ARG A 70 2.276 -8.235 -8.410 1.00 13.33 H new ATOM 0 HD3 ARG A 70 2.389 -6.702 -7.567 1.00 13.33 H new ATOM 0 HE ARG A 70 -0.328 -7.078 -7.691 1.00 11.23 H new ATOM 0 HH11 ARG A 70 2.374 -9.122 -6.698 1.00 54.42 H new ATOM 0 HH12 ARG A 70 1.414 -10.014 -5.513 1.00 54.42 H new ATOM 0 HH21 ARG A 70 -1.555 -8.228 -6.167 1.00 22.20 H new ATOM 0 HH22 ARG A 70 -0.801 -9.510 -5.214 1.00 22.20 H new ATOM 1091 N GLU A 71 1.417 -10.068 -12.380 1.00 72.03 N ATOM 1092 CA GLU A 71 1.132 -11.475 -12.636 1.00 14.00 C ATOM 1093 C GLU A 71 2.421 -12.257 -12.871 1.00 34.42 C ATOM 1094 O GLU A 71 2.519 -13.434 -12.520 1.00 11.14 O ATOM 1095 CB GLU A 71 0.207 -11.619 -13.846 1.00 71.15 C ATOM 1096 CG GLU A 71 0.891 -11.331 -15.172 1.00 74.15 C ATOM 1097 CD GLU A 71 -0.024 -11.554 -16.361 1.00 71.51 C ATOM 1098 OE1 GLU A 71 -1.255 -11.423 -16.196 1.00 62.24 O ATOM 1099 OE2 GLU A 71 0.492 -11.861 -17.457 1.00 12.54 O ATOM 0 H GLU A 71 0.958 -9.421 -13.021 1.00 72.03 H new ATOM 0 HA GLU A 71 0.634 -11.884 -11.757 1.00 14.00 H new ATOM 0 HB2 GLU A 71 -0.195 -12.632 -13.867 1.00 71.15 H new ATOM 0 HB3 GLU A 71 -0.639 -10.942 -13.729 1.00 71.15 H new ATOM 0 HG2 GLU A 71 1.244 -10.300 -15.178 1.00 74.15 H new ATOM 0 HG3 GLU A 71 1.769 -11.969 -15.270 1.00 74.15 H new ATOM 1106 N LEU A 72 3.406 -11.596 -13.467 1.00 63.44 N ATOM 1107 CA LEU A 72 4.690 -12.229 -13.750 1.00 41.25 C ATOM 1108 C LEU A 72 5.307 -12.802 -12.479 1.00 31.13 C ATOM 1109 O LEU A 72 6.066 -13.770 -12.527 1.00 10.03 O ATOM 1110 CB LEU A 72 5.649 -11.220 -14.386 1.00 73.30 C ATOM 1111 CG LEU A 72 6.623 -11.781 -15.422 1.00 62.42 C ATOM 1112 CD1 LEU A 72 5.866 -12.409 -16.582 1.00 50.12 C ATOM 1113 CD2 LEU A 72 7.558 -10.689 -15.922 1.00 31.35 C ATOM 0 H LEU A 72 3.341 -10.622 -13.764 1.00 63.44 H new ATOM 0 HA LEU A 72 4.517 -13.048 -14.449 1.00 41.25 H new ATOM 0 HB2 LEU A 72 5.058 -10.436 -14.859 1.00 73.30 H new ATOM 0 HB3 LEU A 72 6.227 -10.748 -13.592 1.00 73.30 H new ATOM 0 HG LEU A 72 7.224 -12.556 -14.945 1.00 62.42 H new ATOM 0 HD11 LEU A 72 6.576 -12.803 -17.309 1.00 50.12 H new ATOM 0 HD12 LEU A 72 5.239 -13.220 -16.211 1.00 50.12 H new ATOM 0 HD13 LEU A 72 5.239 -11.655 -17.058 1.00 50.12 H new ATOM 0 HD21 LEU A 72 8.244 -11.107 -16.659 1.00 31.35 H new ATOM 0 HD22 LEU A 72 6.974 -9.892 -16.381 1.00 31.35 H new ATOM 0 HD23 LEU A 72 8.127 -10.285 -15.084 1.00 31.35 H new ATOM 1125 N SER A 73 4.974 -12.199 -11.342 1.00 32.32 N ATOM 1126 CA SER A 73 5.496 -12.649 -10.057 1.00 2.23 C ATOM 1127 C SER A 73 5.270 -14.146 -9.872 1.00 70.31 C ATOM 1128 O SER A 73 6.049 -14.825 -9.202 1.00 74.22 O ATOM 1129 CB SER A 73 4.833 -11.877 -8.914 1.00 50.25 C ATOM 1130 OG SER A 73 5.095 -12.491 -7.664 1.00 55.15 O ATOM 0 H SER A 73 4.345 -11.398 -11.285 1.00 32.32 H new ATOM 0 HA SER A 73 6.569 -12.457 -10.042 1.00 2.23 H new ATOM 0 HB2 SER A 73 5.201 -10.851 -8.903 1.00 50.25 H new ATOM 0 HB3 SER A 73 3.757 -11.828 -9.080 1.00 50.25 H new ATOM 0 HG SER A 73 4.537 -12.077 -6.973 1.00 55.15 H new ATOM 1136 N TYR A 74 4.199 -14.654 -10.471 1.00 72.41 N ATOM 1137 CA TYR A 74 3.867 -16.071 -10.372 1.00 3.24 C ATOM 1138 C TYR A 74 4.974 -16.933 -10.972 1.00 54.22 C ATOM 1139 O TYR A 74 5.414 -17.910 -10.366 1.00 54.13 O ATOM 1140 CB TYR A 74 2.542 -16.357 -11.079 1.00 53.22 C ATOM 1141 CG TYR A 74 1.326 -16.016 -10.248 1.00 34.54 C ATOM 1142 CD1 TYR A 74 1.192 -16.493 -8.949 1.00 63.11 C ATOM 1143 CD2 TYR A 74 0.310 -15.219 -10.760 1.00 73.42 C ATOM 1144 CE1 TYR A 74 0.083 -16.185 -8.186 1.00 32.43 C ATOM 1145 CE2 TYR A 74 -0.803 -14.905 -10.004 1.00 25.44 C ATOM 1146 CZ TYR A 74 -0.912 -15.391 -8.717 1.00 44.11 C ATOM 1147 OH TYR A 74 -2.019 -15.082 -7.961 1.00 3.53 O ATOM 0 H TYR A 74 3.545 -14.106 -11.030 1.00 72.41 H new ATOM 0 HA TYR A 74 3.768 -16.322 -9.316 1.00 3.24 H new ATOM 0 HB2 TYR A 74 2.507 -15.790 -12.009 1.00 53.22 H new ATOM 0 HB3 TYR A 74 2.504 -17.413 -11.348 1.00 53.22 H new ATOM 0 HD1 TYR A 74 1.969 -17.115 -8.529 1.00 63.11 H new ATOM 0 HD2 TYR A 74 0.392 -14.838 -11.767 1.00 73.42 H new ATOM 0 HE1 TYR A 74 -0.005 -16.564 -7.178 1.00 32.43 H new ATOM 0 HE2 TYR A 74 -1.583 -14.283 -10.418 1.00 25.44 H new ATOM 0 HH TYR A 74 -2.623 -14.514 -8.483 1.00 3.53 H new ATOM 1157 N VAL A 75 5.420 -16.563 -12.169 1.00 15.45 N ATOM 1158 CA VAL A 75 6.476 -17.299 -12.852 1.00 73.42 C ATOM 1159 C VAL A 75 7.708 -17.443 -11.966 1.00 40.42 C ATOM 1160 O VAL A 75 8.476 -18.395 -12.104 1.00 23.14 O ATOM 1161 CB VAL A 75 6.880 -16.609 -14.168 1.00 45.31 C ATOM 1162 CG1 VAL A 75 7.902 -17.448 -14.920 1.00 23.23 C ATOM 1163 CG2 VAL A 75 5.655 -16.347 -15.031 1.00 2.13 C ATOM 0 H VAL A 75 5.066 -15.758 -12.685 1.00 15.45 H new ATOM 0 HA VAL A 75 6.078 -18.288 -13.077 1.00 73.42 H new ATOM 0 HB VAL A 75 7.339 -15.650 -13.928 1.00 45.31 H new ATOM 0 HG11 VAL A 75 8.175 -16.944 -15.847 1.00 23.23 H new ATOM 0 HG12 VAL A 75 8.791 -17.579 -14.303 1.00 23.23 H new ATOM 0 HG13 VAL A 75 7.474 -18.424 -15.150 1.00 23.23 H new ATOM 0 HG21 VAL A 75 5.960 -15.859 -15.957 1.00 2.13 H new ATOM 0 HG22 VAL A 75 5.165 -17.292 -15.264 1.00 2.13 H new ATOM 0 HG23 VAL A 75 4.961 -15.702 -14.492 1.00 2.13 H new ATOM 1173 N ILE A 76 7.890 -16.491 -11.057 1.00 41.21 N ATOM 1174 CA ILE A 76 9.029 -16.512 -10.147 1.00 75.01 C ATOM 1175 C ILE A 76 8.980 -17.733 -9.235 1.00 3.24 C ATOM 1176 O ILE A 76 10.017 -18.254 -8.824 1.00 54.20 O ATOM 1177 CB ILE A 76 9.081 -15.240 -9.281 1.00 53.41 C ATOM 1178 CG1 ILE A 76 9.010 -13.992 -10.164 1.00 73.11 C ATOM 1179 CG2 ILE A 76 10.346 -15.226 -8.436 1.00 52.40 C ATOM 1180 CD1 ILE A 76 9.056 -12.697 -9.385 1.00 4.53 C ATOM 0 H ILE A 76 7.264 -15.696 -10.931 1.00 41.21 H new ATOM 0 HA ILE A 76 9.926 -16.558 -10.764 1.00 75.01 H new ATOM 0 HB ILE A 76 8.220 -15.238 -8.612 1.00 53.41 H new ATOM 0 HG12 ILE A 76 9.839 -14.010 -10.872 1.00 73.11 H new ATOM 0 HG13 ILE A 76 8.091 -14.022 -10.749 1.00 73.11 H new ATOM 0 HG21 ILE A 76 10.368 -14.321 -7.829 1.00 52.40 H new ATOM 0 HG22 ILE A 76 10.358 -16.100 -7.784 1.00 52.40 H new ATOM 0 HG23 ILE A 76 11.219 -15.248 -9.088 1.00 52.40 H new ATOM 0 HD11 ILE A 76 9.001 -11.855 -10.075 1.00 4.53 H new ATOM 0 HD12 ILE A 76 8.212 -12.657 -8.696 1.00 4.53 H new ATOM 0 HD13 ILE A 76 9.987 -12.644 -8.821 1.00 4.53 H new ATOM 1192 N GLU A 77 7.769 -18.185 -8.923 1.00 44.40 N ATOM 1193 CA GLU A 77 7.587 -19.345 -8.060 1.00 33.43 C ATOM 1194 C GLU A 77 8.425 -20.524 -8.547 1.00 40.45 C ATOM 1195 O GLU A 77 8.933 -21.310 -7.749 1.00 25.34 O ATOM 1196 CB GLU A 77 6.110 -19.743 -8.008 1.00 0.12 C ATOM 1197 CG GLU A 77 5.234 -18.738 -7.279 1.00 4.33 C ATOM 1198 CD GLU A 77 3.843 -19.272 -6.997 1.00 5.20 C ATOM 1199 OE1 GLU A 77 3.132 -19.616 -7.964 1.00 2.41 O ATOM 1200 OE2 GLU A 77 3.467 -19.346 -5.809 1.00 33.15 O ATOM 0 H GLU A 77 6.901 -17.765 -9.255 1.00 44.40 H new ATOM 0 HA GLU A 77 7.920 -19.075 -7.058 1.00 33.43 H new ATOM 0 HB2 GLU A 77 5.739 -19.865 -9.026 1.00 0.12 H new ATOM 0 HB3 GLU A 77 6.021 -20.713 -7.518 1.00 0.12 H new ATOM 0 HG2 GLU A 77 5.710 -18.462 -6.338 1.00 4.33 H new ATOM 0 HG3 GLU A 77 5.156 -17.829 -7.876 1.00 4.33 H new ATOM 1207 N ASP A 78 8.564 -20.638 -9.864 1.00 32.34 N ATOM 1208 CA ASP A 78 9.340 -21.719 -10.459 1.00 64.52 C ATOM 1209 C ASP A 78 10.733 -21.793 -9.841 1.00 1.31 C ATOM 1210 O ASP A 78 11.329 -22.866 -9.756 1.00 5.21 O ATOM 1211 CB ASP A 78 9.450 -21.524 -11.972 1.00 42.21 C ATOM 1212 CG ASP A 78 8.231 -22.037 -12.712 1.00 54.22 C ATOM 1213 OD1 ASP A 78 7.138 -21.462 -12.525 1.00 21.24 O ATOM 1214 OD2 ASP A 78 8.368 -23.014 -13.478 1.00 44.55 O ATOM 0 H ASP A 78 8.149 -19.995 -10.539 1.00 32.34 H new ATOM 0 HA ASP A 78 8.823 -22.657 -10.258 1.00 64.52 H new ATOM 0 HB2 ASP A 78 9.584 -20.465 -12.190 1.00 42.21 H new ATOM 0 HB3 ASP A 78 10.338 -22.040 -12.338 1.00 42.21 H new ATOM 1219 N ALA A 79 11.245 -20.644 -9.412 1.00 25.14 N ATOM 1220 CA ALA A 79 12.567 -20.578 -8.800 1.00 62.35 C ATOM 1221 C ALA A 79 12.623 -21.409 -7.523 1.00 2.43 C ATOM 1222 O ALA A 79 13.522 -22.231 -7.344 1.00 34.14 O ATOM 1223 CB ALA A 79 12.943 -19.133 -8.510 1.00 12.22 C ATOM 0 H ALA A 79 10.765 -19.746 -9.477 1.00 25.14 H new ATOM 0 HA ALA A 79 13.287 -20.994 -9.504 1.00 62.35 H new ATOM 0 HB1 ALA A 79 13.932 -19.099 -8.053 1.00 12.22 H new ATOM 0 HB2 ALA A 79 12.953 -18.566 -9.441 1.00 12.22 H new ATOM 0 HB3 ALA A 79 12.213 -18.697 -7.828 1.00 12.22 H new ATOM 1229 N VAL A 80 11.658 -21.188 -6.636 1.00 12.40 N ATOM 1230 CA VAL A 80 11.597 -21.916 -5.374 1.00 42.04 C ATOM 1231 C VAL A 80 11.068 -23.331 -5.581 1.00 51.44 C ATOM 1232 O VAL A 80 11.366 -24.236 -4.802 1.00 72.13 O ATOM 1233 CB VAL A 80 10.705 -21.191 -4.350 1.00 12.52 C ATOM 1234 CG1 VAL A 80 11.290 -19.831 -4.000 1.00 2.04 C ATOM 1235 CG2 VAL A 80 9.288 -21.048 -4.884 1.00 73.44 C ATOM 0 H VAL A 80 10.907 -20.510 -6.768 1.00 12.40 H new ATOM 0 HA VAL A 80 12.615 -21.965 -4.987 1.00 42.04 H new ATOM 0 HB VAL A 80 10.668 -21.790 -3.440 1.00 12.52 H new ATOM 0 HG11 VAL A 80 10.646 -19.333 -3.275 1.00 2.04 H new ATOM 0 HG12 VAL A 80 12.284 -19.962 -3.573 1.00 2.04 H new ATOM 0 HG13 VAL A 80 11.360 -19.222 -4.901 1.00 2.04 H new ATOM 0 HG21 VAL A 80 8.672 -20.533 -4.147 1.00 73.44 H new ATOM 0 HG22 VAL A 80 9.304 -20.472 -5.809 1.00 73.44 H new ATOM 0 HG23 VAL A 80 8.871 -22.036 -5.079 1.00 73.44 H new ATOM 1245 N ASP A 81 10.282 -23.514 -6.636 1.00 52.55 N ATOM 1246 CA ASP A 81 9.711 -24.819 -6.948 1.00 24.12 C ATOM 1247 C ASP A 81 10.811 -25.853 -7.171 1.00 34.12 C ATOM 1248 O ASP A 81 10.613 -27.046 -6.938 1.00 12.22 O ATOM 1249 CB ASP A 81 8.821 -24.728 -8.188 1.00 12.31 C ATOM 1250 CG ASP A 81 8.109 -26.033 -8.487 1.00 45.42 C ATOM 1251 OD1 ASP A 81 7.167 -26.379 -7.744 1.00 51.14 O ATOM 1252 OD2 ASP A 81 8.495 -26.707 -9.465 1.00 33.12 O ATOM 0 H ASP A 81 10.026 -22.775 -7.290 1.00 52.55 H new ATOM 0 HA ASP A 81 9.105 -25.135 -6.099 1.00 24.12 H new ATOM 0 HB2 ASP A 81 8.083 -23.939 -8.044 1.00 12.31 H new ATOM 0 HB3 ASP A 81 9.428 -24.444 -9.047 1.00 12.31 H new ATOM 1257 N LYS A 82 11.970 -25.388 -7.625 1.00 33.43 N ATOM 1258 CA LYS A 82 13.102 -26.271 -7.880 1.00 34.43 C ATOM 1259 C LYS A 82 13.445 -27.088 -6.638 1.00 3.22 C ATOM 1260 O LYS A 82 13.899 -28.228 -6.738 1.00 74.12 O ATOM 1261 CB LYS A 82 14.320 -25.458 -8.322 1.00 1.14 C ATOM 1262 CG LYS A 82 14.126 -24.744 -9.648 1.00 64.23 C ATOM 1263 CD LYS A 82 13.975 -25.730 -10.795 1.00 11.12 C ATOM 1264 CE LYS A 82 15.247 -26.535 -11.010 1.00 4.14 C ATOM 1265 NZ LYS A 82 15.161 -27.396 -12.222 1.00 2.33 N ATOM 0 H LYS A 82 12.150 -24.404 -7.824 1.00 33.43 H new ATOM 0 HA LYS A 82 12.823 -26.958 -8.679 1.00 34.43 H new ATOM 0 HB2 LYS A 82 14.553 -24.721 -7.553 1.00 1.14 H new ATOM 0 HB3 LYS A 82 15.181 -26.122 -8.399 1.00 1.14 H new ATOM 0 HG2 LYS A 82 13.242 -24.109 -9.594 1.00 64.23 H new ATOM 0 HG3 LYS A 82 14.977 -24.090 -9.838 1.00 64.23 H new ATOM 0 HD2 LYS A 82 13.146 -26.407 -10.588 1.00 11.12 H new ATOM 0 HD3 LYS A 82 13.726 -25.191 -11.709 1.00 11.12 H new ATOM 0 HE2 LYS A 82 16.094 -25.856 -11.106 1.00 4.14 H new ATOM 0 HE3 LYS A 82 15.435 -27.157 -10.135 1.00 4.14 H new ATOM 0 HZ1 LYS A 82 16.094 -27.810 -12.420 1.00 2.33 H new ATOM 0 HZ2 LYS A 82 14.472 -28.157 -12.059 1.00 2.33 H new ATOM 0 HZ3 LYS A 82 14.857 -26.822 -13.035 1.00 2.33 H new ATOM 1279 N PHE A 83 13.226 -26.497 -5.468 1.00 34.43 N ATOM 1280 CA PHE A 83 13.512 -27.171 -4.206 1.00 52.52 C ATOM 1281 C PHE A 83 12.464 -28.239 -3.910 1.00 14.02 C ATOM 1282 O PHE A 83 12.761 -29.262 -3.291 1.00 54.20 O ATOM 1283 CB PHE A 83 13.560 -26.156 -3.062 1.00 10.12 C ATOM 1284 CG PHE A 83 14.343 -26.632 -1.871 1.00 54.24 C ATOM 1285 CD1 PHE A 83 13.853 -27.646 -1.065 1.00 21.35 C ATOM 1286 CD2 PHE A 83 15.568 -26.065 -1.559 1.00 52.05 C ATOM 1287 CE1 PHE A 83 14.571 -28.085 0.032 1.00 71.41 C ATOM 1288 CE2 PHE A 83 16.290 -26.500 -0.464 1.00 63.25 C ATOM 1289 CZ PHE A 83 15.792 -27.513 0.332 1.00 55.54 C ATOM 0 H PHE A 83 12.852 -25.554 -5.367 1.00 34.43 H new ATOM 0 HA PHE A 83 14.484 -27.656 -4.294 1.00 52.52 H new ATOM 0 HB2 PHE A 83 13.999 -25.228 -3.428 1.00 10.12 H new ATOM 0 HB3 PHE A 83 12.542 -25.925 -2.749 1.00 10.12 H new ATOM 0 HD1 PHE A 83 12.900 -28.099 -1.296 1.00 21.35 H new ATOM 0 HD2 PHE A 83 15.963 -25.274 -2.179 1.00 52.05 H new ATOM 0 HE1 PHE A 83 14.177 -28.875 0.654 1.00 71.41 H new ATOM 0 HE2 PHE A 83 17.243 -26.048 -0.231 1.00 63.25 H new ATOM 0 HZ PHE A 83 16.356 -27.857 1.187 1.00 55.54 H new ATOM 1299 N LEU A 84 11.236 -27.994 -4.355 1.00 21.31 N ATOM 1300 CA LEU A 84 10.142 -28.934 -4.138 1.00 31.43 C ATOM 1301 C LEU A 84 10.302 -30.170 -5.018 1.00 45.30 C ATOM 1302 O LEU A 84 9.574 -31.151 -4.868 1.00 3.11 O ATOM 1303 CB LEU A 84 8.799 -28.260 -4.425 1.00 64.14 C ATOM 1304 CG LEU A 84 8.558 -26.921 -3.728 1.00 13.01 C ATOM 1305 CD1 LEU A 84 7.423 -26.165 -4.402 1.00 45.13 C ATOM 1306 CD2 LEU A 84 8.255 -27.135 -2.252 1.00 71.41 C ATOM 0 H LEU A 84 10.973 -27.153 -4.868 1.00 21.31 H new ATOM 0 HA LEU A 84 10.168 -29.248 -3.095 1.00 31.43 H new ATOM 0 HB2 LEU A 84 8.714 -28.107 -5.501 1.00 64.14 H new ATOM 0 HB3 LEU A 84 8.002 -28.946 -4.137 1.00 64.14 H new ATOM 0 HG LEU A 84 9.465 -26.322 -3.810 1.00 13.01 H new ATOM 0 HD11 LEU A 84 7.266 -25.214 -3.892 1.00 45.13 H new ATOM 0 HD12 LEU A 84 7.678 -25.979 -5.445 1.00 45.13 H new ATOM 0 HD13 LEU A 84 6.510 -26.759 -4.352 1.00 45.13 H new ATOM 0 HD21 LEU A 84 8.086 -26.171 -1.772 1.00 71.41 H new ATOM 0 HD22 LEU A 84 7.363 -27.753 -2.150 1.00 71.41 H new ATOM 0 HD23 LEU A 84 9.099 -27.635 -1.776 1.00 71.41 H new ATOM 1318 N VAL A 85 11.262 -30.115 -5.936 1.00 25.21 N ATOM 1319 CA VAL A 85 11.521 -31.231 -6.838 1.00 44.34 C ATOM 1320 C VAL A 85 11.680 -32.536 -6.067 1.00 62.11 C ATOM 1321 O VAL A 85 11.373 -33.613 -6.579 1.00 42.22 O ATOM 1322 CB VAL A 85 12.787 -30.988 -7.682 1.00 23.24 C ATOM 1323 CG1 VAL A 85 14.034 -31.097 -6.817 1.00 0.10 C ATOM 1324 CG2 VAL A 85 12.848 -31.967 -8.844 1.00 71.15 C ATOM 0 H VAL A 85 11.873 -29.310 -6.075 1.00 25.21 H new ATOM 0 HA VAL A 85 10.660 -31.308 -7.502 1.00 44.34 H new ATOM 0 HB VAL A 85 12.743 -29.978 -8.089 1.00 23.24 H new ATOM 0 HG11 VAL A 85 14.918 -30.922 -7.430 1.00 0.10 H new ATOM 0 HG12 VAL A 85 13.991 -30.353 -6.022 1.00 0.10 H new ATOM 0 HG13 VAL A 85 14.087 -32.094 -6.379 1.00 0.10 H new ATOM 0 HG21 VAL A 85 13.748 -31.781 -9.430 1.00 71.15 H new ATOM 0 HG22 VAL A 85 12.869 -32.987 -8.460 1.00 71.15 H new ATOM 0 HG23 VAL A 85 11.970 -31.836 -9.477 1.00 71.15 H new ATOM 1334 N ARG A 86 12.161 -32.433 -4.833 1.00 3.25 N ATOM 1335 CA ARG A 86 12.362 -33.606 -3.990 1.00 53.31 C ATOM 1336 C ARG A 86 11.027 -34.153 -3.494 1.00 75.43 C ATOM 1337 O ARG A 86 10.681 -35.306 -3.755 1.00 1.02 O ATOM 1338 CB ARG A 86 13.256 -33.258 -2.799 1.00 2.51 C ATOM 1339 CG ARG A 86 14.596 -32.660 -3.197 1.00 53.13 C ATOM 1340 CD ARG A 86 15.594 -33.739 -3.584 1.00 64.53 C ATOM 1341 NE ARG A 86 15.493 -34.098 -4.996 1.00 72.33 N ATOM 1342 CZ ARG A 86 16.179 -35.090 -5.554 1.00 12.21 C ATOM 1343 NH1 ARG A 86 17.012 -35.817 -4.822 1.00 75.54 N ATOM 1344 NH2 ARG A 86 16.032 -35.355 -6.846 1.00 22.34 N ATOM 0 H ARG A 86 12.419 -31.549 -4.394 1.00 3.25 H new ATOM 0 HA ARG A 86 12.851 -34.374 -4.590 1.00 53.31 H new ATOM 0 HB2 ARG A 86 12.730 -32.553 -2.155 1.00 2.51 H new ATOM 0 HB3 ARG A 86 13.430 -34.159 -2.211 1.00 2.51 H new ATOM 0 HG2 ARG A 86 14.456 -31.975 -4.033 1.00 53.13 H new ATOM 0 HG3 ARG A 86 14.995 -32.074 -2.369 1.00 53.13 H new ATOM 0 HD2 ARG A 86 16.605 -33.391 -3.370 1.00 64.53 H new ATOM 0 HD3 ARG A 86 15.425 -34.625 -2.972 1.00 64.53 H new ATOM 0 HE ARG A 86 14.861 -33.557 -5.587 1.00 72.33 H new ATOM 0 HH11 ARG A 86 17.127 -35.615 -3.829 1.00 75.54 H new ATOM 0 HH12 ARG A 86 17.538 -36.578 -5.252 1.00 75.54 H new ATOM 0 HH21 ARG A 86 15.392 -34.797 -7.411 1.00 22.34 H new ATOM 0 HH22 ARG A 86 16.559 -36.117 -7.274 1.00 22.34 H new ATOM 1358 N VAL A 87 10.280 -33.319 -2.778 1.00 31.24 N ATOM 1359 CA VAL A 87 8.983 -33.719 -2.246 1.00 33.24 C ATOM 1360 C VAL A 87 8.044 -34.163 -3.362 1.00 21.32 C ATOM 1361 O VAL A 87 7.150 -34.982 -3.147 1.00 33.03 O ATOM 1362 CB VAL A 87 8.321 -32.572 -1.459 1.00 73.03 C ATOM 1363 CG1 VAL A 87 9.126 -32.246 -0.211 1.00 1.21 C ATOM 1364 CG2 VAL A 87 8.166 -31.342 -2.341 1.00 4.02 C ATOM 0 H VAL A 87 10.551 -32.362 -2.553 1.00 31.24 H new ATOM 0 HA VAL A 87 9.162 -34.556 -1.572 1.00 33.24 H new ATOM 0 HB VAL A 87 7.328 -32.894 -1.146 1.00 73.03 H new ATOM 0 HG11 VAL A 87 8.643 -31.434 0.332 1.00 1.21 H new ATOM 0 HG12 VAL A 87 9.180 -33.128 0.428 1.00 1.21 H new ATOM 0 HG13 VAL A 87 10.133 -31.943 -0.497 1.00 1.21 H new ATOM 0 HG21 VAL A 87 7.697 -30.541 -1.769 1.00 4.02 H new ATOM 0 HG22 VAL A 87 9.147 -31.015 -2.685 1.00 4.02 H new ATOM 0 HG23 VAL A 87 7.543 -31.587 -3.201 1.00 4.02 H new ATOM 1374 N HIS A 88 8.254 -33.618 -4.556 1.00 20.30 N ATOM 1375 CA HIS A 88 7.427 -33.959 -5.708 1.00 70.40 C ATOM 1376 C HIS A 88 7.810 -35.326 -6.266 1.00 64.54 C ATOM 1377 O HIS A 88 7.069 -35.918 -7.050 1.00 63.02 O ATOM 1378 CB HIS A 88 7.566 -32.894 -6.796 1.00 3.13 C ATOM 1379 CG HIS A 88 6.686 -31.701 -6.582 1.00 72.31 C ATOM 1380 ND1 HIS A 88 6.896 -30.489 -7.205 1.00 61.34 N ATOM 1381 CD2 HIS A 88 5.586 -31.540 -5.810 1.00 0.32 C ATOM 1382 CE1 HIS A 88 5.965 -29.633 -6.824 1.00 72.43 C ATOM 1383 NE2 HIS A 88 5.157 -30.246 -5.978 1.00 30.12 N ATOM 0 H HIS A 88 8.989 -32.939 -4.751 1.00 20.30 H new ATOM 0 HA HIS A 88 6.388 -33.998 -5.379 1.00 70.40 H new ATOM 0 HB2 HIS A 88 8.604 -32.566 -6.841 1.00 3.13 H new ATOM 0 HB3 HIS A 88 7.330 -33.340 -7.762 1.00 3.13 H new ATOM 0 HD2 HIS A 88 5.131 -32.289 -5.179 1.00 0.32 H new ATOM 0 HE1 HIS A 88 5.879 -28.607 -7.149 1.00 72.43 H new ATOM 0 HE2 HIS A 88 4.346 -29.827 -5.523 1.00 30.12 H new ATOM 1391 N GLY A 89 8.974 -35.822 -5.857 1.00 64.44 N ATOM 1392 CA GLY A 89 9.436 -37.115 -6.328 1.00 21.43 C ATOM 1393 C GLY A 89 9.738 -37.118 -7.813 1.00 72.12 C ATOM 1394 O GLY A 89 9.811 -38.177 -8.437 1.00 52.34 O ATOM 0 H GLY A 89 9.605 -35.352 -5.208 1.00 64.44 H new ATOM 0 HA2 GLY A 89 10.333 -37.399 -5.778 1.00 21.43 H new ATOM 0 HA3 GLY A 89 8.678 -37.868 -6.113 1.00 21.43 H new ATOM 1398 N VAL A 90 9.912 -35.930 -8.382 1.00 42.53 N ATOM 1399 CA VAL A 90 10.207 -35.799 -9.804 1.00 51.42 C ATOM 1400 C VAL A 90 11.696 -35.572 -10.038 1.00 42.41 C ATOM 1401 O VAL A 90 12.383 -34.984 -9.203 1.00 54.31 O ATOM 1402 CB VAL A 90 9.416 -34.638 -10.437 1.00 3.13 C ATOM 1403 CG1 VAL A 90 9.858 -33.307 -9.848 1.00 24.03 C ATOM 1404 CG2 VAL A 90 9.582 -34.642 -11.949 1.00 23.52 C ATOM 0 H VAL A 90 9.854 -35.044 -7.880 1.00 42.53 H new ATOM 0 HA VAL A 90 9.906 -36.734 -10.277 1.00 51.42 H new ATOM 0 HB VAL A 90 8.359 -34.776 -10.210 1.00 3.13 H new ATOM 0 HG11 VAL A 90 9.289 -32.499 -10.307 1.00 24.03 H new ATOM 0 HG12 VAL A 90 9.683 -33.309 -8.772 1.00 24.03 H new ATOM 0 HG13 VAL A 90 10.920 -33.158 -10.042 1.00 24.03 H new ATOM 0 HG21 VAL A 90 9.017 -33.815 -12.379 1.00 23.52 H new ATOM 0 HG22 VAL A 90 10.637 -34.529 -12.200 1.00 23.52 H new ATOM 0 HG23 VAL A 90 9.212 -35.584 -12.353 1.00 23.52 H new ATOM 1414 N GLU A 91 12.189 -36.042 -11.180 1.00 12.41 N ATOM 1415 CA GLU A 91 13.598 -35.890 -11.523 1.00 51.31 C ATOM 1416 C GLU A 91 13.903 -34.456 -11.948 1.00 73.13 C ATOM 1417 O GLU A 91 13.036 -33.728 -12.433 1.00 63.11 O ATOM 1418 CB GLU A 91 13.980 -36.858 -12.645 1.00 32.04 C ATOM 1419 CG GLU A 91 13.475 -36.433 -14.013 1.00 63.45 C ATOM 1420 CD GLU A 91 13.673 -37.506 -15.067 1.00 21.33 C ATOM 1421 OE1 GLU A 91 14.525 -38.395 -14.857 1.00 12.14 O ATOM 1422 OE2 GLU A 91 12.975 -37.457 -16.101 1.00 43.24 O ATOM 0 H GLU A 91 11.634 -36.531 -11.882 1.00 12.41 H new ATOM 0 HA GLU A 91 14.188 -36.121 -10.636 1.00 51.31 H new ATOM 0 HB2 GLU A 91 15.066 -36.950 -12.680 1.00 32.04 H new ATOM 0 HB3 GLU A 91 13.584 -37.846 -12.412 1.00 32.04 H new ATOM 0 HG2 GLU A 91 12.415 -36.187 -13.945 1.00 63.45 H new ATOM 0 HG3 GLU A 91 13.994 -35.525 -14.322 1.00 63.45 H new ATOM 1429 N PRO A 92 15.164 -34.040 -11.762 1.00 41.12 N ATOM 1430 CA PRO A 92 15.613 -32.691 -12.119 1.00 44.03 C ATOM 1431 C PRO A 92 15.661 -32.476 -13.628 1.00 64.52 C ATOM 1432 O PRO A 92 15.908 -33.412 -14.390 1.00 41.51 O ATOM 1433 CB PRO A 92 17.021 -32.617 -11.524 1.00 5.34 C ATOM 1434 CG PRO A 92 17.480 -34.033 -11.457 1.00 52.31 C ATOM 1435 CD PRO A 92 16.249 -34.854 -11.189 1.00 61.23 C ATOM 0 HA PRO A 92 14.936 -31.924 -11.744 1.00 44.03 H new ATOM 0 HB2 PRO A 92 17.683 -32.016 -12.147 1.00 5.34 H new ATOM 0 HB3 PRO A 92 17.009 -32.158 -10.536 1.00 5.34 H new ATOM 0 HG2 PRO A 92 17.954 -34.334 -12.391 1.00 52.31 H new ATOM 0 HG3 PRO A 92 18.218 -34.167 -10.667 1.00 52.31 H new ATOM 0 HD2 PRO A 92 16.309 -35.834 -11.662 1.00 61.23 H new ATOM 0 HD3 PRO A 92 16.104 -35.024 -10.122 1.00 61.23 H new ATOM 1443 N ASP A 93 15.425 -31.240 -14.053 1.00 72.31 N ATOM 1444 CA ASP A 93 15.443 -30.903 -15.472 1.00 13.23 C ATOM 1445 C ASP A 93 15.665 -29.407 -15.672 1.00 13.13 C ATOM 1446 O ASP A 93 15.137 -28.585 -14.922 1.00 24.35 O ATOM 1447 CB ASP A 93 14.133 -31.330 -16.136 1.00 51.00 C ATOM 1448 CG ASP A 93 14.103 -32.811 -16.457 1.00 33.41 C ATOM 1449 OD1 ASP A 93 14.833 -33.234 -17.377 1.00 63.53 O ATOM 1450 OD2 ASP A 93 13.349 -33.548 -15.787 1.00 1.20 O ATOM 0 H ASP A 93 15.219 -30.455 -13.436 1.00 72.31 H new ATOM 0 HA ASP A 93 16.269 -31.440 -15.938 1.00 13.23 H new ATOM 0 HB2 ASP A 93 13.299 -31.087 -15.477 1.00 51.00 H new ATOM 0 HB3 ASP A 93 13.991 -30.759 -17.054 1.00 51.00 H new ATOM 1455 N ASP A 94 16.449 -29.061 -16.687 1.00 13.14 N ATOM 1456 CA ASP A 94 16.741 -27.664 -16.985 1.00 52.34 C ATOM 1457 C ASP A 94 15.782 -27.122 -18.040 1.00 55.44 C ATOM 1458 O ASP A 94 15.251 -26.020 -17.903 1.00 75.42 O ATOM 1459 CB ASP A 94 18.185 -27.514 -17.466 1.00 50.13 C ATOM 1460 CG ASP A 94 19.172 -28.234 -16.568 1.00 52.04 C ATOM 1461 OD1 ASP A 94 18.913 -28.318 -15.349 1.00 61.54 O ATOM 1462 OD2 ASP A 94 20.202 -28.714 -17.085 1.00 3.21 O ATOM 0 H ASP A 94 16.894 -29.729 -17.317 1.00 13.14 H new ATOM 0 HA ASP A 94 16.609 -27.088 -16.069 1.00 52.34 H new ATOM 0 HB2 ASP A 94 18.269 -27.904 -18.480 1.00 50.13 H new ATOM 0 HB3 ASP A 94 18.442 -26.456 -17.509 1.00 50.13 H new ATOM 1467 N ASN A 95 15.565 -27.903 -19.094 1.00 4.23 N ATOM 1468 CA ASN A 95 14.671 -27.500 -20.173 1.00 63.33 C ATOM 1469 C ASN A 95 13.273 -27.204 -19.640 1.00 1.13 C ATOM 1470 O ASN A 95 12.532 -26.407 -20.216 1.00 51.10 O ATOM 1471 CB ASN A 95 14.601 -28.595 -21.240 1.00 51.21 C ATOM 1472 CG ASN A 95 15.972 -28.997 -21.747 1.00 23.52 C ATOM 1473 OD1 ASN A 95 16.727 -29.680 -21.053 1.00 53.05 O ATOM 1474 ND2 ASN A 95 16.301 -28.575 -22.962 1.00 24.00 N ATOM 0 H ASN A 95 15.996 -28.818 -19.223 1.00 4.23 H new ATOM 0 HA ASN A 95 15.070 -26.590 -20.621 1.00 63.33 H new ATOM 0 HB2 ASN A 95 14.099 -29.470 -20.827 1.00 51.21 H new ATOM 0 HB3 ASN A 95 13.996 -28.245 -22.076 1.00 51.21 H new ATOM 0 HD21 ASN A 95 17.211 -28.815 -23.356 1.00 24.00 H new ATOM 0 HD22 ASN A 95 15.644 -28.011 -23.501 1.00 24.00 H new ATOM 1481 N THR A 96 12.918 -27.851 -18.534 1.00 2.33 N ATOM 1482 CA THR A 96 11.610 -27.658 -17.922 1.00 14.41 C ATOM 1483 C THR A 96 11.439 -26.225 -17.429 1.00 22.44 C ATOM 1484 O THR A 96 10.320 -25.726 -17.317 1.00 63.41 O ATOM 1485 CB THR A 96 11.393 -28.624 -16.742 1.00 72.12 C ATOM 1486 OG1 THR A 96 12.597 -28.739 -15.975 1.00 55.42 O ATOM 1487 CG2 THR A 96 10.969 -29.998 -17.239 1.00 65.12 C ATOM 0 H THR A 96 13.519 -28.514 -18.044 1.00 2.33 H new ATOM 0 HA THR A 96 10.868 -27.865 -18.693 1.00 14.41 H new ATOM 0 HB THR A 96 10.599 -28.222 -16.113 1.00 72.12 H new ATOM 0 HG1 THR A 96 12.384 -29.076 -15.080 1.00 55.42 H new ATOM 0 HG21 THR A 96 10.822 -30.663 -16.388 1.00 65.12 H new ATOM 0 HG22 THR A 96 10.037 -29.911 -17.797 1.00 65.12 H new ATOM 0 HG23 THR A 96 11.744 -30.405 -17.888 1.00 65.12 H new ATOM 1495 N ASN A 97 12.557 -25.569 -17.135 1.00 12.31 N ATOM 1496 CA ASN A 97 12.530 -24.192 -16.653 1.00 65.32 C ATOM 1497 C ASN A 97 11.793 -23.287 -17.634 1.00 55.34 C ATOM 1498 O ASN A 97 11.241 -22.256 -17.250 1.00 65.02 O ATOM 1499 CB ASN A 97 13.955 -23.678 -16.439 1.00 43.53 C ATOM 1500 CG ASN A 97 14.737 -24.529 -15.457 1.00 75.34 C ATOM 1501 OD1 ASN A 97 14.176 -25.398 -14.789 1.00 12.32 O ATOM 1502 ND2 ASN A 97 16.038 -24.283 -15.366 1.00 63.44 N ATOM 0 H ASN A 97 13.492 -25.968 -17.222 1.00 12.31 H new ATOM 0 HA ASN A 97 11.998 -24.176 -15.702 1.00 65.32 H new ATOM 0 HB2 ASN A 97 14.478 -23.658 -17.395 1.00 43.53 H new ATOM 0 HB3 ASN A 97 13.917 -22.651 -16.075 1.00 43.53 H new ATOM 0 HD21 ASN A 97 16.616 -24.824 -14.723 1.00 63.44 H new ATOM 0 HD22 ASN A 97 16.460 -23.553 -15.939 1.00 63.44 H new ATOM 1509 N GLY A 98 11.786 -23.680 -18.905 1.00 30.04 N ATOM 1510 CA GLY A 98 11.113 -22.893 -19.921 1.00 73.34 C ATOM 1511 C GLY A 98 11.613 -21.463 -19.974 1.00 30.42 C ATOM 1512 O GLY A 98 10.856 -20.544 -20.286 1.00 33.13 O ATOM 0 H GLY A 98 12.235 -24.529 -19.248 1.00 30.04 H new ATOM 0 HA2 GLY A 98 11.258 -23.362 -20.894 1.00 73.34 H new ATOM 0 HA3 GLY A 98 10.041 -22.892 -19.725 1.00 73.34 H new ATOM 1516 N PHE A 99 12.892 -21.274 -19.666 1.00 52.03 N ATOM 1517 CA PHE A 99 13.492 -19.945 -19.677 1.00 40.01 C ATOM 1518 C PHE A 99 13.408 -19.322 -21.067 1.00 42.34 C ATOM 1519 O PHE A 99 13.395 -18.099 -21.213 1.00 24.21 O ATOM 1520 CB PHE A 99 14.952 -20.018 -19.226 1.00 2.13 C ATOM 1521 CG PHE A 99 15.648 -18.687 -19.231 1.00 65.10 C ATOM 1522 CD1 PHE A 99 15.260 -17.684 -18.358 1.00 5.15 C ATOM 1523 CD2 PHE A 99 16.691 -18.439 -20.109 1.00 62.41 C ATOM 1524 CE1 PHE A 99 15.899 -16.458 -18.361 1.00 61.21 C ATOM 1525 CE2 PHE A 99 17.334 -17.216 -20.117 1.00 11.31 C ATOM 1526 CZ PHE A 99 16.938 -16.224 -19.241 1.00 32.21 C ATOM 0 H PHE A 99 13.533 -22.024 -19.406 1.00 52.03 H new ATOM 0 HA PHE A 99 12.935 -19.316 -18.982 1.00 40.01 H new ATOM 0 HB2 PHE A 99 14.993 -20.437 -18.220 1.00 2.13 H new ATOM 0 HB3 PHE A 99 15.492 -20.704 -19.879 1.00 2.13 H new ATOM 0 HD1 PHE A 99 14.449 -17.862 -17.667 1.00 5.15 H new ATOM 0 HD2 PHE A 99 17.005 -19.211 -20.796 1.00 62.41 H new ATOM 0 HE1 PHE A 99 15.586 -15.684 -17.676 1.00 61.21 H new ATOM 0 HE2 PHE A 99 18.145 -17.036 -20.807 1.00 11.31 H new ATOM 0 HZ PHE A 99 17.440 -15.268 -19.244 1.00 32.21 H new ATOM 1536 N LYS A 100 13.352 -20.171 -22.088 1.00 30.15 N ATOM 1537 CA LYS A 100 13.269 -19.706 -23.467 1.00 72.40 C ATOM 1538 C LYS A 100 12.125 -18.712 -23.638 1.00 41.21 C ATOM 1539 O LYS A 100 12.300 -17.644 -24.224 1.00 24.23 O ATOM 1540 CB LYS A 100 13.074 -20.892 -24.415 1.00 41.33 C ATOM 1541 CG LYS A 100 12.936 -20.488 -25.873 1.00 60.10 C ATOM 1542 CD LYS A 100 13.252 -21.646 -26.805 1.00 31.34 C ATOM 1543 CE LYS A 100 12.034 -22.529 -27.029 1.00 53.03 C ATOM 1544 NZ LYS A 100 12.112 -23.264 -28.322 1.00 24.11 N ATOM 0 H LYS A 100 13.363 -21.186 -21.986 1.00 30.15 H new ATOM 0 HA LYS A 100 14.204 -19.202 -23.712 1.00 72.40 H new ATOM 0 HB2 LYS A 100 13.921 -21.571 -24.313 1.00 41.33 H new ATOM 0 HB3 LYS A 100 12.184 -21.445 -24.114 1.00 41.33 H new ATOM 0 HG2 LYS A 100 11.921 -20.136 -26.059 1.00 60.10 H new ATOM 0 HG3 LYS A 100 13.606 -19.655 -26.086 1.00 60.10 H new ATOM 0 HD2 LYS A 100 13.603 -21.259 -27.762 1.00 31.34 H new ATOM 0 HD3 LYS A 100 14.062 -22.242 -26.385 1.00 31.34 H new ATOM 0 HE2 LYS A 100 11.948 -23.243 -26.210 1.00 53.03 H new ATOM 0 HE3 LYS A 100 11.133 -21.916 -27.014 1.00 53.03 H new ATOM 0 HZ1 LYS A 100 11.264 -23.854 -28.437 1.00 24.11 H new ATOM 0 HZ2 LYS A 100 12.169 -22.583 -29.106 1.00 24.11 H new ATOM 0 HZ3 LYS A 100 12.958 -23.869 -28.327 1.00 24.11 H new ATOM 1558 N GLY A 101 10.953 -19.069 -23.121 1.00 62.43 N ATOM 1559 CA GLY A 101 9.799 -18.196 -23.226 1.00 73.45 C ATOM 1560 C GLY A 101 9.801 -17.103 -22.176 1.00 72.43 C ATOM 1561 O GLY A 101 9.333 -15.992 -22.425 1.00 54.45 O ATOM 0 H GLY A 101 10.783 -19.947 -22.631 1.00 62.43 H new ATOM 0 HA2 GLY A 101 9.779 -17.743 -24.217 1.00 73.45 H new ATOM 0 HA3 GLY A 101 8.889 -18.788 -23.128 1.00 73.45 H new ATOM 1565 N LEU A 102 10.327 -17.418 -20.998 1.00 20.40 N ATOM 1566 CA LEU A 102 10.387 -16.455 -19.904 1.00 53.34 C ATOM 1567 C LEU A 102 11.216 -15.236 -20.297 1.00 54.02 C ATOM 1568 O LEU A 102 10.795 -14.097 -20.098 1.00 11.20 O ATOM 1569 CB LEU A 102 10.980 -17.108 -18.655 1.00 13.23 C ATOM 1570 CG LEU A 102 10.448 -16.598 -17.315 1.00 21.34 C ATOM 1571 CD1 LEU A 102 11.175 -17.272 -16.161 1.00 74.40 C ATOM 1572 CD2 LEU A 102 10.589 -15.086 -17.225 1.00 43.31 C ATOM 0 H LEU A 102 10.718 -18.333 -20.776 1.00 20.40 H new ATOM 0 HA LEU A 102 9.371 -16.126 -19.686 1.00 53.34 H new ATOM 0 HB2 LEU A 102 10.800 -18.182 -18.710 1.00 13.23 H new ATOM 0 HB3 LEU A 102 12.060 -16.965 -18.673 1.00 13.23 H new ATOM 0 HG LEU A 102 9.389 -16.849 -17.248 1.00 21.34 H new ATOM 0 HD11 LEU A 102 10.783 -16.897 -15.215 1.00 74.40 H new ATOM 0 HD12 LEU A 102 11.022 -18.350 -16.215 1.00 74.40 H new ATOM 0 HD13 LEU A 102 12.241 -17.053 -16.225 1.00 74.40 H new ATOM 0 HD21 LEU A 102 10.205 -14.741 -16.265 1.00 43.31 H new ATOM 0 HD22 LEU A 102 11.640 -14.813 -17.315 1.00 43.31 H new ATOM 0 HD23 LEU A 102 10.023 -14.619 -18.031 1.00 43.31 H new ATOM 1584 N MET A 103 12.395 -15.484 -20.858 1.00 75.40 N ATOM 1585 CA MET A 103 13.281 -14.407 -21.282 1.00 51.22 C ATOM 1586 C MET A 103 12.571 -13.470 -22.255 1.00 23.40 C ATOM 1587 O MET A 103 12.774 -12.256 -22.224 1.00 30.40 O ATOM 1588 CB MET A 103 14.540 -14.980 -21.935 1.00 20.41 C ATOM 1589 CG MET A 103 15.529 -13.918 -22.385 1.00 3.43 C ATOM 1590 SD MET A 103 16.511 -13.262 -21.022 1.00 42.51 S ATOM 1591 CE MET A 103 15.605 -11.764 -20.642 1.00 33.32 C ATOM 0 H MET A 103 12.759 -16.421 -21.029 1.00 75.40 H new ATOM 0 HA MET A 103 13.567 -13.836 -20.398 1.00 51.22 H new ATOM 0 HB2 MET A 103 15.033 -15.648 -21.229 1.00 20.41 H new ATOM 0 HB3 MET A 103 14.251 -15.583 -22.796 1.00 20.41 H new ATOM 0 HG2 MET A 103 16.195 -14.342 -23.136 1.00 3.43 H new ATOM 0 HG3 MET A 103 14.987 -13.102 -22.863 1.00 3.43 H new ATOM 0 HE1 MET A 103 16.307 -10.960 -20.421 1.00 33.32 H new ATOM 0 HE2 MET A 103 14.990 -11.484 -21.497 1.00 33.32 H new ATOM 0 HE3 MET A 103 14.966 -11.935 -19.776 1.00 33.32 H new ATOM 1601 N LYS A 104 11.739 -14.042 -23.118 1.00 53.15 N ATOM 1602 CA LYS A 104 10.998 -13.259 -24.100 1.00 52.13 C ATOM 1603 C LYS A 104 9.805 -12.563 -23.453 1.00 73.00 C ATOM 1604 O LYS A 104 9.366 -11.508 -23.911 1.00 4.41 O ATOM 1605 CB LYS A 104 10.519 -14.157 -25.243 1.00 44.04 C ATOM 1606 CG LYS A 104 11.502 -14.248 -26.398 1.00 4.23 C ATOM 1607 CD LYS A 104 12.867 -14.726 -25.932 1.00 22.34 C ATOM 1608 CE LYS A 104 13.861 -14.782 -27.082 1.00 0.23 C ATOM 1609 NZ LYS A 104 14.552 -13.478 -27.281 1.00 51.30 N ATOM 0 H LYS A 104 11.561 -15.046 -23.158 1.00 53.15 H new ATOM 0 HA LYS A 104 11.668 -12.498 -24.500 1.00 52.13 H new ATOM 0 HB2 LYS A 104 10.334 -15.158 -24.854 1.00 44.04 H new ATOM 0 HB3 LYS A 104 9.567 -13.779 -25.616 1.00 44.04 H new ATOM 0 HG2 LYS A 104 11.115 -14.931 -27.154 1.00 4.23 H new ATOM 0 HG3 LYS A 104 11.600 -13.271 -26.872 1.00 4.23 H new ATOM 0 HD2 LYS A 104 13.243 -14.058 -25.157 1.00 22.34 H new ATOM 0 HD3 LYS A 104 12.773 -15.714 -25.482 1.00 22.34 H new ATOM 0 HE2 LYS A 104 14.600 -15.559 -26.886 1.00 0.23 H new ATOM 0 HE3 LYS A 104 13.341 -15.061 -27.998 1.00 0.23 H new ATOM 0 HZ1 LYS A 104 15.221 -13.557 -28.073 1.00 51.30 H new ATOM 0 HZ2 LYS A 104 13.849 -12.741 -27.493 1.00 51.30 H new ATOM 0 HZ3 LYS A 104 15.069 -13.224 -26.415 1.00 51.30 H new ATOM 1623 N ARG A 105 9.285 -13.160 -22.386 1.00 33.24 N ATOM 1624 CA ARG A 105 8.143 -12.597 -21.676 1.00 34.13 C ATOM 1625 C ARG A 105 8.559 -11.380 -20.855 1.00 52.44 C ATOM 1626 O ARG A 105 7.751 -10.488 -20.592 1.00 72.24 O ATOM 1627 CB ARG A 105 7.513 -13.650 -20.762 1.00 24.32 C ATOM 1628 CG ARG A 105 6.208 -14.218 -21.295 1.00 65.35 C ATOM 1629 CD ARG A 105 5.659 -15.303 -20.383 1.00 32.51 C ATOM 1630 NE ARG A 105 4.787 -16.231 -21.099 1.00 23.20 N ATOM 1631 CZ ARG A 105 4.377 -17.391 -20.597 1.00 2.53 C ATOM 1632 NH1 ARG A 105 4.757 -17.762 -19.382 1.00 22.00 N ATOM 1633 NH2 ARG A 105 3.585 -18.181 -21.310 1.00 12.33 N ATOM 0 H ARG A 105 9.636 -14.034 -21.994 1.00 33.24 H new ATOM 0 HA ARG A 105 7.408 -12.281 -22.416 1.00 34.13 H new ATOM 0 HB2 ARG A 105 8.222 -14.465 -20.618 1.00 24.32 H new ATOM 0 HB3 ARG A 105 7.333 -13.208 -19.782 1.00 24.32 H new ATOM 0 HG2 ARG A 105 5.475 -13.418 -21.392 1.00 65.35 H new ATOM 0 HG3 ARG A 105 6.368 -14.627 -22.293 1.00 65.35 H new ATOM 0 HD2 ARG A 105 6.487 -15.854 -19.937 1.00 32.51 H new ATOM 0 HD3 ARG A 105 5.105 -14.843 -19.565 1.00 32.51 H new ATOM 0 HE ARG A 105 4.476 -15.974 -22.036 1.00 23.20 H new ATOM 0 HH11 ARG A 105 5.365 -17.157 -18.831 1.00 22.00 H new ATOM 0 HH12 ARG A 105 4.441 -18.653 -18.999 1.00 22.00 H new ATOM 0 HH21 ARG A 105 3.290 -17.898 -22.245 1.00 12.33 H new ATOM 0 HH22 ARG A 105 3.271 -19.071 -20.924 1.00 12.33 H new ATOM 1647 N THR A 106 9.825 -11.349 -20.453 1.00 4.54 N ATOM 1648 CA THR A 106 10.349 -10.242 -19.661 1.00 72.40 C ATOM 1649 C THR A 106 10.722 -9.060 -20.548 1.00 15.23 C ATOM 1650 O THR A 106 10.280 -7.934 -20.318 1.00 15.44 O ATOM 1651 CB THR A 106 11.585 -10.669 -18.848 1.00 23.34 C ATOM 1652 OG1 THR A 106 12.581 -11.216 -19.720 1.00 14.01 O ATOM 1653 CG2 THR A 106 11.209 -11.697 -17.791 1.00 65.53 C ATOM 0 H THR A 106 10.507 -12.078 -20.663 1.00 4.54 H new ATOM 0 HA THR A 106 9.557 -9.942 -18.974 1.00 72.40 H new ATOM 0 HB THR A 106 11.986 -9.787 -18.348 1.00 23.34 H new ATOM 0 HG1 THR A 106 13.181 -10.502 -20.020 1.00 14.01 H new ATOM 0 HG21 THR A 106 12.098 -11.983 -17.229 1.00 65.53 H new ATOM 0 HG22 THR A 106 10.473 -11.267 -17.111 1.00 65.53 H new ATOM 0 HG23 THR A 106 10.786 -12.578 -18.274 1.00 65.53 H new ATOM 1661 N THR A 107 11.538 -9.322 -21.564 1.00 54.01 N ATOM 1662 CA THR A 107 11.970 -8.279 -22.486 1.00 22.05 C ATOM 1663 C THR A 107 10.776 -7.589 -23.135 1.00 20.11 C ATOM 1664 O THR A 107 10.791 -6.378 -23.358 1.00 33.41 O ATOM 1665 CB THR A 107 12.883 -8.847 -23.589 1.00 33.32 C ATOM 1666 OG1 THR A 107 13.269 -7.804 -24.491 1.00 20.25 O ATOM 1667 CG2 THR A 107 12.177 -9.954 -24.358 1.00 0.10 C ATOM 0 H THR A 107 11.913 -10.248 -21.769 1.00 54.01 H new ATOM 0 HA THR A 107 12.531 -7.552 -21.899 1.00 22.05 H new ATOM 0 HB THR A 107 13.772 -9.264 -23.116 1.00 33.32 H new ATOM 0 HG1 THR A 107 13.850 -8.173 -25.188 1.00 20.25 H new ATOM 0 HG21 THR A 107 12.841 -10.340 -25.132 1.00 0.10 H new ATOM 0 HG22 THR A 107 11.910 -10.759 -23.674 1.00 0.10 H new ATOM 0 HG23 THR A 107 11.273 -9.557 -24.820 1.00 0.10 H new ATOM 1675 N LYS A 108 9.741 -8.367 -23.436 1.00 45.52 N ATOM 1676 CA LYS A 108 8.537 -7.831 -24.059 1.00 13.44 C ATOM 1677 C LYS A 108 7.907 -6.751 -23.185 1.00 1.34 C ATOM 1678 O LYS A 108 7.499 -5.698 -23.678 1.00 32.33 O ATOM 1679 CB LYS A 108 7.526 -8.952 -24.310 1.00 51.32 C ATOM 1680 CG LYS A 108 7.459 -9.396 -25.761 1.00 23.51 C ATOM 1681 CD LYS A 108 6.829 -8.331 -26.642 1.00 65.05 C ATOM 1682 CE LYS A 108 7.061 -8.620 -28.118 1.00 33.13 C ATOM 1683 NZ LYS A 108 6.265 -7.714 -28.992 1.00 23.12 N ATOM 0 H LYS A 108 9.712 -9.371 -23.258 1.00 45.52 H new ATOM 0 HA LYS A 108 8.819 -7.384 -25.012 1.00 13.44 H new ATOM 0 HB2 LYS A 108 7.784 -9.809 -23.688 1.00 51.32 H new ATOM 0 HB3 LYS A 108 6.538 -8.616 -23.995 1.00 51.32 H new ATOM 0 HG2 LYS A 108 8.463 -9.619 -26.121 1.00 23.51 H new ATOM 0 HG3 LYS A 108 6.882 -10.318 -25.834 1.00 23.51 H new ATOM 0 HD2 LYS A 108 5.758 -8.280 -26.444 1.00 65.05 H new ATOM 0 HD3 LYS A 108 7.246 -7.356 -26.391 1.00 65.05 H new ATOM 0 HE2 LYS A 108 8.121 -8.508 -28.348 1.00 33.13 H new ATOM 0 HE3 LYS A 108 6.796 -9.656 -28.331 1.00 33.13 H new ATOM 0 HZ1 LYS A 108 6.451 -7.943 -29.989 1.00 23.12 H new ATOM 0 HZ2 LYS A 108 5.252 -7.839 -28.791 1.00 23.12 H new ATOM 0 HZ3 LYS A 108 6.536 -6.727 -28.807 1.00 23.12 H new ATOM 1697 N LEU A 109 7.833 -7.017 -21.885 1.00 55.32 N ATOM 1698 CA LEU A 109 7.254 -6.067 -20.942 1.00 12.54 C ATOM 1699 C LEU A 109 8.201 -4.896 -20.698 1.00 53.31 C ATOM 1700 O LEU A 109 7.764 -3.777 -20.426 1.00 3.43 O ATOM 1701 CB LEU A 109 6.934 -6.763 -19.618 1.00 4.24 C ATOM 1702 CG LEU A 109 5.468 -6.740 -19.184 1.00 3.42 C ATOM 1703 CD1 LEU A 109 4.580 -7.318 -20.274 1.00 52.01 C ATOM 1704 CD2 LEU A 109 5.285 -7.506 -17.882 1.00 2.22 C ATOM 0 H LEU A 109 8.167 -7.882 -21.461 1.00 55.32 H new ATOM 0 HA LEU A 109 6.331 -5.680 -21.374 1.00 12.54 H new ATOM 0 HB2 LEU A 109 7.254 -7.802 -19.690 1.00 4.24 H new ATOM 0 HB3 LEU A 109 7.532 -6.299 -18.833 1.00 4.24 H new ATOM 0 HG LEU A 109 5.175 -5.704 -19.017 1.00 3.42 H new ATOM 0 HD11 LEU A 109 3.540 -7.293 -19.947 1.00 52.01 H new ATOM 0 HD12 LEU A 109 4.689 -6.727 -21.183 1.00 52.01 H new ATOM 0 HD13 LEU A 109 4.873 -8.349 -20.474 1.00 52.01 H new ATOM 0 HD21 LEU A 109 4.236 -7.479 -17.588 1.00 2.22 H new ATOM 0 HD22 LEU A 109 5.596 -8.541 -18.022 1.00 2.22 H new ATOM 0 HD23 LEU A 109 5.892 -7.047 -17.102 1.00 2.22 H new ATOM 1716 N LEU A 110 9.499 -5.160 -20.800 1.00 35.31 N ATOM 1717 CA LEU A 110 10.508 -4.128 -20.593 1.00 64.01 C ATOM 1718 C LEU A 110 10.512 -3.131 -21.747 1.00 53.41 C ATOM 1719 O LEU A 110 10.879 -1.968 -21.576 1.00 51.12 O ATOM 1720 CB LEU A 110 11.893 -4.763 -20.448 1.00 54.35 C ATOM 1721 CG LEU A 110 12.367 -5.020 -19.018 1.00 11.13 C ATOM 1722 CD1 LEU A 110 11.530 -6.109 -18.366 1.00 33.24 C ATOM 1723 CD2 LEU A 110 13.841 -5.398 -19.004 1.00 51.33 C ATOM 0 H LEU A 110 9.877 -6.080 -21.025 1.00 35.31 H new ATOM 0 HA LEU A 110 10.262 -3.593 -19.676 1.00 64.01 H new ATOM 0 HB2 LEU A 110 11.894 -5.711 -20.986 1.00 54.35 H new ATOM 0 HB3 LEU A 110 12.620 -4.117 -20.940 1.00 54.35 H new ATOM 0 HG LEU A 110 12.243 -4.102 -18.444 1.00 11.13 H new ATOM 0 HD11 LEU A 110 11.882 -6.278 -17.348 1.00 33.24 H new ATOM 0 HD12 LEU A 110 10.485 -5.799 -18.342 1.00 33.24 H new ATOM 0 HD13 LEU A 110 11.622 -7.031 -18.940 1.00 33.24 H new ATOM 0 HD21 LEU A 110 14.161 -5.577 -17.978 1.00 51.33 H new ATOM 0 HD22 LEU A 110 13.990 -6.302 -19.594 1.00 51.33 H new ATOM 0 HD23 LEU A 110 14.429 -4.585 -19.431 1.00 51.33 H new ATOM 1735 N LYS A 111 10.098 -3.592 -22.922 1.00 64.24 N ATOM 1736 CA LYS A 111 10.050 -2.741 -24.105 1.00 52.12 C ATOM 1737 C LYS A 111 9.148 -1.533 -23.870 1.00 23.24 C ATOM 1738 O LYS A 111 9.275 -0.510 -24.542 1.00 44.22 O ATOM 1739 CB LYS A 111 9.548 -3.537 -25.312 1.00 23.31 C ATOM 1740 CG LYS A 111 10.571 -4.517 -25.862 1.00 12.42 C ATOM 1741 CD LYS A 111 11.387 -3.899 -26.985 1.00 10.33 C ATOM 1742 CE LYS A 111 10.591 -3.828 -28.279 1.00 20.41 C ATOM 1743 NZ LYS A 111 11.478 -3.712 -29.470 1.00 34.13 N ATOM 0 H LYS A 111 9.790 -4.551 -23.081 1.00 64.24 H new ATOM 0 HA LYS A 111 11.060 -2.385 -24.306 1.00 52.12 H new ATOM 0 HB2 LYS A 111 8.649 -4.084 -25.028 1.00 23.31 H new ATOM 0 HB3 LYS A 111 9.262 -2.842 -26.101 1.00 23.31 H new ATOM 0 HG2 LYS A 111 11.237 -4.837 -25.061 1.00 12.42 H new ATOM 0 HG3 LYS A 111 10.062 -5.408 -26.229 1.00 12.42 H new ATOM 0 HD2 LYS A 111 11.704 -2.897 -26.697 1.00 10.33 H new ATOM 0 HD3 LYS A 111 12.291 -4.486 -27.145 1.00 10.33 H new ATOM 0 HE2 LYS A 111 9.971 -4.719 -28.373 1.00 20.41 H new ATOM 0 HE3 LYS A 111 9.916 -2.973 -28.244 1.00 20.41 H new ATOM 0 HZ1 LYS A 111 10.898 -3.666 -30.332 1.00 34.13 H new ATOM 0 HZ2 LYS A 111 12.052 -2.848 -29.393 1.00 34.13 H new ATOM 0 HZ3 LYS A 111 12.105 -4.541 -29.518 1.00 34.13 H new ATOM 1757 N LYS A 112 8.238 -1.658 -22.910 1.00 22.24 N ATOM 1758 CA LYS A 112 7.317 -0.577 -22.583 1.00 11.45 C ATOM 1759 C LYS A 112 8.072 0.644 -22.066 1.00 41.15 C ATOM 1760 O LYS A 112 7.774 1.777 -22.446 1.00 23.14 O ATOM 1761 CB LYS A 112 6.302 -1.042 -21.536 1.00 25.15 C ATOM 1762 CG LYS A 112 5.094 -1.744 -22.130 1.00 31.43 C ATOM 1763 CD LYS A 112 5.388 -3.205 -22.427 1.00 62.15 C ATOM 1764 CE LYS A 112 4.464 -3.752 -23.505 1.00 12.35 C ATOM 1765 NZ LYS A 112 4.701 -5.200 -23.756 1.00 71.13 N ATOM 0 H LYS A 112 8.119 -2.498 -22.344 1.00 22.24 H new ATOM 0 HA LYS A 112 6.788 -0.297 -23.494 1.00 11.45 H new ATOM 0 HB2 LYS A 112 6.797 -1.717 -20.837 1.00 25.15 H new ATOM 0 HB3 LYS A 112 5.964 -0.180 -20.961 1.00 25.15 H new ATOM 0 HG2 LYS A 112 4.255 -1.674 -21.438 1.00 31.43 H new ATOM 0 HG3 LYS A 112 4.793 -1.239 -23.048 1.00 31.43 H new ATOM 0 HD2 LYS A 112 6.425 -3.311 -22.747 1.00 62.15 H new ATOM 0 HD3 LYS A 112 5.274 -3.793 -21.516 1.00 62.15 H new ATOM 0 HE2 LYS A 112 3.427 -3.600 -23.206 1.00 12.35 H new ATOM 0 HE3 LYS A 112 4.614 -3.194 -24.429 1.00 12.35 H new ATOM 0 HZ1 LYS A 112 4.368 -5.446 -24.710 1.00 71.13 H new ATOM 0 HZ2 LYS A 112 5.718 -5.403 -23.682 1.00 71.13 H new ATOM 0 HZ3 LYS A 112 4.183 -5.764 -23.052 1.00 71.13 H new ATOM 1779 N VAL A 113 9.052 0.406 -21.200 1.00 70.34 N ATOM 1780 CA VAL A 113 9.852 1.486 -20.635 1.00 33.54 C ATOM 1781 C VAL A 113 11.023 1.837 -21.545 1.00 23.34 C ATOM 1782 O VAL A 113 11.522 2.962 -21.526 1.00 25.11 O ATOM 1783 CB VAL A 113 10.392 1.113 -19.241 1.00 52.01 C ATOM 1784 CG1 VAL A 113 9.256 1.026 -18.234 1.00 34.15 C ATOM 1785 CG2 VAL A 113 11.163 -0.197 -19.302 1.00 2.32 C ATOM 0 H VAL A 113 9.311 -0.525 -20.874 1.00 70.34 H new ATOM 0 HA VAL A 113 9.196 2.352 -20.543 1.00 33.54 H new ATOM 0 HB VAL A 113 11.076 1.896 -18.914 1.00 52.01 H new ATOM 0 HG11 VAL A 113 9.657 0.762 -17.255 1.00 34.15 H new ATOM 0 HG12 VAL A 113 8.751 1.990 -18.171 1.00 34.15 H new ATOM 0 HG13 VAL A 113 8.545 0.264 -18.553 1.00 34.15 H new ATOM 0 HG21 VAL A 113 11.537 -0.445 -18.309 1.00 2.32 H new ATOM 0 HG22 VAL A 113 10.503 -0.992 -19.650 1.00 2.32 H new ATOM 0 HG23 VAL A 113 12.002 -0.094 -19.991 1.00 2.32 H new ATOM 1795 N VAL A 114 11.458 0.866 -22.342 1.00 22.24 N ATOM 1796 CA VAL A 114 12.571 1.072 -23.261 1.00 52.20 C ATOM 1797 C VAL A 114 12.259 2.179 -24.261 1.00 52.45 C ATOM 1798 O VAL A 114 13.109 3.019 -24.559 1.00 14.24 O ATOM 1799 CB VAL A 114 12.910 -0.219 -24.030 1.00 5.51 C ATOM 1800 CG1 VAL A 114 14.033 0.032 -25.025 1.00 53.44 C ATOM 1801 CG2 VAL A 114 13.284 -1.332 -23.063 1.00 13.34 C ATOM 0 H VAL A 114 11.056 -0.071 -22.370 1.00 22.24 H new ATOM 0 HA VAL A 114 13.431 1.363 -22.657 1.00 52.20 H new ATOM 0 HB VAL A 114 12.027 -0.533 -24.586 1.00 5.51 H new ATOM 0 HG11 VAL A 114 14.259 -0.891 -25.559 1.00 53.44 H new ATOM 0 HG12 VAL A 114 13.724 0.797 -25.737 1.00 53.44 H new ATOM 0 HG13 VAL A 114 14.922 0.370 -24.493 1.00 53.44 H new ATOM 0 HG21 VAL A 114 13.520 -2.237 -23.623 1.00 13.34 H new ATOM 0 HG22 VAL A 114 14.153 -1.030 -22.479 1.00 13.34 H new ATOM 0 HG23 VAL A 114 12.447 -1.529 -22.393 1.00 13.34 H new ATOM 1811 N ASP A 115 11.035 2.175 -24.777 1.00 53.15 N ATOM 1812 CA ASP A 115 10.609 3.180 -25.744 1.00 52.51 C ATOM 1813 C ASP A 115 10.445 4.542 -25.076 1.00 22.02 C ATOM 1814 O ASP A 115 10.276 5.560 -25.748 1.00 21.41 O ATOM 1815 CB ASP A 115 9.294 2.761 -26.403 1.00 31.40 C ATOM 1816 CG ASP A 115 8.780 3.797 -27.382 1.00 42.54 C ATOM 1817 OD1 ASP A 115 8.065 4.723 -26.945 1.00 74.33 O ATOM 1818 OD2 ASP A 115 9.093 3.683 -28.586 1.00 51.33 O ATOM 0 H ASP A 115 10.320 1.487 -24.542 1.00 53.15 H new ATOM 0 HA ASP A 115 11.381 3.261 -26.510 1.00 52.51 H new ATOM 0 HB2 ASP A 115 9.438 1.814 -26.923 1.00 31.40 H new ATOM 0 HB3 ASP A 115 8.543 2.590 -25.632 1.00 31.40 H new ATOM 1823 N LYS A 116 10.496 4.553 -23.748 1.00 55.41 N ATOM 1824 CA LYS A 116 10.353 5.789 -22.987 1.00 43.02 C ATOM 1825 C LYS A 116 11.718 6.389 -22.663 1.00 71.41 C ATOM 1826 O LYS A 116 11.999 7.538 -23.004 1.00 13.33 O ATOM 1827 CB LYS A 116 9.578 5.529 -21.693 1.00 44.13 C ATOM 1828 CG LYS A 116 8.130 5.983 -21.750 1.00 41.11 C ATOM 1829 CD LYS A 116 7.216 4.871 -22.236 1.00 53.10 C ATOM 1830 CE LYS A 116 5.775 5.344 -22.349 1.00 75.00 C ATOM 1831 NZ LYS A 116 5.499 5.973 -23.671 1.00 21.35 N ATOM 0 H LYS A 116 10.635 3.720 -23.176 1.00 55.41 H new ATOM 0 HA LYS A 116 9.798 6.501 -23.598 1.00 43.02 H new ATOM 0 HB2 LYS A 116 9.607 4.462 -21.470 1.00 44.13 H new ATOM 0 HB3 LYS A 116 10.078 6.040 -20.871 1.00 44.13 H new ATOM 0 HG2 LYS A 116 7.811 6.311 -20.761 1.00 41.11 H new ATOM 0 HG3 LYS A 116 8.043 6.843 -22.414 1.00 41.11 H new ATOM 0 HD2 LYS A 116 7.560 4.514 -23.207 1.00 53.10 H new ATOM 0 HD3 LYS A 116 7.270 4.027 -21.548 1.00 53.10 H new ATOM 0 HE2 LYS A 116 5.103 4.499 -22.202 1.00 75.00 H new ATOM 0 HE3 LYS A 116 5.565 6.061 -21.555 1.00 75.00 H new ATOM 0 HZ1 LYS A 116 4.507 6.282 -23.708 1.00 21.35 H new ATOM 0 HZ2 LYS A 116 6.123 6.795 -23.801 1.00 21.35 H new ATOM 0 HZ3 LYS A 116 5.675 5.282 -24.428 1.00 21.35 H new ATOM 1845 N HIS A 117 12.564 5.602 -22.005 1.00 15.45 N ATOM 1846 CA HIS A 117 13.900 6.056 -21.637 1.00 22.43 C ATOM 1847 C HIS A 117 14.965 5.113 -22.189 1.00 71.32 C ATOM 1848 O HIS A 117 16.109 5.511 -22.406 1.00 75.31 O ATOM 1849 CB HIS A 117 14.028 6.153 -20.116 1.00 42.12 C ATOM 1850 CG HIS A 117 12.912 6.913 -19.469 1.00 34.13 C ATOM 1851 ND1 HIS A 117 12.916 8.285 -19.330 1.00 21.21 N ATOM 1852 CD2 HIS A 117 11.750 6.485 -18.922 1.00 73.21 C ATOM 1853 CE1 HIS A 117 11.806 8.668 -18.724 1.00 61.54 C ATOM 1854 NE2 HIS A 117 11.081 7.594 -18.467 1.00 12.24 N ATOM 0 H HIS A 117 12.348 4.648 -21.716 1.00 15.45 H new ATOM 0 HA HIS A 117 14.053 7.044 -22.071 1.00 22.43 H new ATOM 0 HB2 HIS A 117 14.062 5.147 -19.698 1.00 42.12 H new ATOM 0 HB3 HIS A 117 14.975 6.633 -19.869 1.00 42.12 H new ATOM 0 HD2 HIS A 117 11.412 5.461 -18.856 1.00 73.21 H new ATOM 0 HE1 HIS A 117 11.537 9.685 -18.480 1.00 61.54 H new ATOM 0 HE2 HIS A 117 10.171 7.589 -18.005 1.00 12.24 H new ATOM 1862 N GLY A 118 14.580 3.860 -22.414 1.00 22.10 N ATOM 1863 CA GLY A 118 15.514 2.880 -22.938 1.00 55.01 C ATOM 1864 C GLY A 118 16.073 1.976 -21.857 1.00 42.44 C ATOM 1865 O GLY A 118 17.247 1.606 -21.895 1.00 50.12 O ATOM 0 H GLY A 118 13.639 3.506 -22.243 1.00 22.10 H new ATOM 0 HA2 GLY A 118 15.014 2.273 -23.692 1.00 55.01 H new ATOM 0 HA3 GLY A 118 16.335 3.395 -23.437 1.00 55.01 H new ATOM 1869 N ILE A 119 15.233 1.622 -20.891 1.00 71.11 N ATOM 1870 CA ILE A 119 15.651 0.757 -19.795 1.00 61.31 C ATOM 1871 C ILE A 119 16.329 -0.505 -20.319 1.00 32.14 C ATOM 1872 O ILE A 119 15.720 -1.295 -21.039 1.00 71.50 O ATOM 1873 CB ILE A 119 14.458 0.355 -18.908 1.00 72.23 C ATOM 1874 CG1 ILE A 119 13.782 1.600 -18.330 1.00 23.23 C ATOM 1875 CG2 ILE A 119 14.916 -0.573 -17.793 1.00 13.22 C ATOM 1876 CD1 ILE A 119 14.691 2.425 -17.446 1.00 22.22 C ATOM 0 H ILE A 119 14.259 1.921 -20.845 1.00 71.11 H new ATOM 0 HA ILE A 119 16.362 1.327 -19.197 1.00 61.31 H new ATOM 0 HB ILE A 119 13.731 -0.178 -19.521 1.00 72.23 H new ATOM 0 HG12 ILE A 119 13.423 2.222 -19.150 1.00 23.23 H new ATOM 0 HG13 ILE A 119 12.908 1.295 -17.755 1.00 23.23 H new ATOM 0 HG21 ILE A 119 14.062 -0.848 -17.175 1.00 13.22 H new ATOM 0 HG22 ILE A 119 15.356 -1.472 -18.225 1.00 13.22 H new ATOM 0 HG23 ILE A 119 15.659 -0.065 -17.179 1.00 13.22 H new ATOM 0 HD11 ILE A 119 14.146 3.291 -17.071 1.00 22.22 H new ATOM 0 HD12 ILE A 119 15.030 1.819 -16.606 1.00 22.22 H new ATOM 0 HD13 ILE A 119 15.553 2.760 -18.023 1.00 22.22 H new ATOM 1888 N ALA A 120 17.592 -0.688 -19.950 1.00 23.03 N ATOM 1889 CA ALA A 120 18.352 -1.856 -20.379 1.00 11.23 C ATOM 1890 C ALA A 120 17.756 -3.138 -19.808 1.00 24.22 C ATOM 1891 O ALA A 120 18.290 -4.229 -20.017 1.00 54.53 O ATOM 1892 CB ALA A 120 19.810 -1.718 -19.965 1.00 34.53 C ATOM 0 H ALA A 120 18.111 -0.042 -19.355 1.00 23.03 H new ATOM 0 HA ALA A 120 18.299 -1.915 -21.466 1.00 11.23 H new ATOM 0 HB1 ALA A 120 20.366 -2.597 -20.292 1.00 34.53 H new ATOM 0 HB2 ALA A 120 20.236 -0.827 -20.426 1.00 34.53 H new ATOM 0 HB3 ALA A 120 19.874 -1.631 -18.880 1.00 34.53 H new