USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 989 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 98 THR OG1 : rot 180:sc= 0.191 USER MOD Set 1.2: A 101 GLN : amide:sc= 0 X(o=0.19,f=-0.083) USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.148 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0992 USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.0515 K(o=-0.052,f=-0.57) USER MOD Single : A 7 ASN : amide:sc= -0.0693 X(o=-0.069,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.0143 (180deg=-0.212) USER MOD Single : A 15 GLN : amide:sc= 0.515 K(o=0.52,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.492 K(o=0.49,f=-0.37) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0138) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.0367 K(o=0.037,f=-1.1) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0.869 (180deg=0.848) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 64:sc= 0.284 USER MOD Single : A 59 SER OG : rot 180:sc= 0.157 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.039 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 82:sc= 0.208 USER MOD Single : A 71 SER OG : rot 29:sc= 0.0263 USER MOD Single : A 73 SER OG : rot 43:sc= 1.19 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc=-0.00591 K(o=-0.0059,f=-0.77) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -14:sc= 0.267 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0823 X(o=-0.082,f=-0.11) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 150:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.288 X(o=0.29,f=-0.0096) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc=-0.00792 K(o=-0.0079,f=-1) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0.178 USER MOD Single : A 119 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.18) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.360 -8.851 3.668 1.00 73.52 N ATOM 2 CA GLY A 1 32.240 -8.264 4.416 1.00 2.25 C ATOM 3 C GLY A 1 31.059 -9.206 4.331 1.00 31.53 C ATOM 4 O GLY A 1 30.978 -9.955 3.362 1.00 54.11 O ATOM 0 H1 GLY A 1 33.845 -8.106 3.128 1.00 73.52 H new ATOM 0 H2 GLY A 1 34.030 -9.289 4.332 1.00 73.52 H new ATOM 0 H3 GLY A 1 32.999 -9.574 3.013 1.00 73.52 H new ATOM 0 HA2 GLY A 1 32.522 -8.104 5.457 1.00 2.25 H new ATOM 0 HA3 GLY A 1 31.978 -7.290 4.003 1.00 2.25 H new ATOM 8 N SER A 2 30.204 -9.214 5.349 1.00 53.13 N ATOM 9 CA SER A 2 29.013 -10.053 5.424 1.00 15.02 C ATOM 10 C SER A 2 27.808 -9.374 4.754 1.00 70.52 C ATOM 11 O SER A 2 26.893 -10.053 4.304 1.00 60.11 O ATOM 12 CB SER A 2 28.752 -10.367 6.903 1.00 52.20 C ATOM 13 OG SER A 2 29.119 -9.285 7.753 1.00 42.32 O ATOM 0 H SER A 2 30.324 -8.619 6.169 1.00 53.13 H new ATOM 0 HA SER A 2 29.171 -10.983 4.878 1.00 15.02 H new ATOM 0 HB2 SER A 2 27.696 -10.596 7.044 1.00 52.20 H new ATOM 0 HB3 SER A 2 29.312 -11.258 7.188 1.00 52.20 H new ATOM 0 HG SER A 2 28.935 -9.525 8.685 1.00 42.32 H new ATOM 19 N ASN A 3 27.833 -8.039 4.653 1.00 34.33 N ATOM 20 CA ASN A 3 26.821 -7.166 4.048 1.00 53.22 C ATOM 21 C ASN A 3 25.380 -7.456 4.509 1.00 43.31 C ATOM 22 O ASN A 3 24.427 -7.301 3.742 1.00 55.32 O ATOM 23 CB ASN A 3 26.991 -7.124 2.516 1.00 25.34 C ATOM 24 CG ASN A 3 28.371 -6.639 2.075 1.00 74.02 C ATOM 25 OD1 ASN A 3 29.104 -5.994 2.828 1.00 21.43 O ATOM 26 ND2 ASN A 3 28.794 -6.973 0.870 1.00 50.21 N ATOM 0 H ASN A 3 28.619 -7.502 5.019 1.00 34.33 H new ATOM 0 HA ASN A 3 27.001 -6.159 4.424 1.00 53.22 H new ATOM 0 HB2 ASN A 3 26.817 -8.121 2.110 1.00 25.34 H new ATOM 0 HB3 ASN A 3 26.230 -6.469 2.091 1.00 25.34 H new ATOM 0 HD21 ASN A 3 29.727 -6.698 0.562 1.00 50.21 H new ATOM 0 HD22 ASN A 3 28.188 -7.507 0.247 1.00 50.21 H new ATOM 33 N GLN A 4 25.212 -7.886 5.763 1.00 21.43 N ATOM 34 CA GLN A 4 23.921 -8.206 6.360 1.00 34.21 C ATOM 35 C GLN A 4 23.131 -6.913 6.605 1.00 3.23 C ATOM 36 O GLN A 4 23.699 -5.931 7.100 1.00 21.42 O ATOM 37 CB GLN A 4 24.169 -8.961 7.685 1.00 10.33 C ATOM 38 CG GLN A 4 22.900 -9.516 8.359 1.00 31.15 C ATOM 39 CD GLN A 4 23.195 -10.118 9.738 1.00 25.22 C ATOM 40 OE1 GLN A 4 23.990 -11.046 9.884 1.00 11.24 O ATOM 41 NE2 GLN A 4 22.560 -9.638 10.798 1.00 32.34 N ATOM 0 H GLN A 4 25.993 -8.023 6.404 1.00 21.43 H new ATOM 0 HA GLN A 4 23.336 -8.837 5.691 1.00 34.21 H new ATOM 0 HB2 GLN A 4 24.853 -9.788 7.493 1.00 10.33 H new ATOM 0 HB3 GLN A 4 24.669 -8.289 8.382 1.00 10.33 H new ATOM 0 HG2 GLN A 4 22.166 -8.717 8.462 1.00 31.15 H new ATOM 0 HG3 GLN A 4 22.454 -10.278 7.719 1.00 31.15 H new ATOM 0 HE21 GLN A 4 21.898 -8.869 10.691 1.00 32.34 H new ATOM 0 HE22 GLN A 4 22.733 -10.038 11.720 1.00 32.34 H new ATOM 50 N GLN A 5 21.843 -6.899 6.254 1.00 34.34 N ATOM 51 CA GLN A 5 20.928 -5.762 6.455 1.00 73.53 C ATOM 52 C GLN A 5 19.976 -6.132 7.605 1.00 14.24 C ATOM 53 O GLN A 5 20.160 -7.189 8.215 1.00 10.31 O ATOM 54 CB GLN A 5 20.182 -5.410 5.148 1.00 52.11 C ATOM 55 CG GLN A 5 20.319 -3.928 4.767 1.00 41.21 C ATOM 56 CD GLN A 5 21.728 -3.582 4.292 1.00 21.21 C ATOM 57 OE1 GLN A 5 22.620 -3.305 5.093 1.00 44.32 O ATOM 58 NE2 GLN A 5 21.986 -3.650 2.992 1.00 44.30 N ATOM 0 H GLN A 5 21.391 -7.698 5.810 1.00 34.34 H new ATOM 0 HA GLN A 5 21.480 -4.861 6.724 1.00 73.53 H new ATOM 0 HB2 GLN A 5 20.569 -6.027 4.337 1.00 52.11 H new ATOM 0 HB3 GLN A 5 19.126 -5.656 5.260 1.00 52.11 H new ATOM 0 HG2 GLN A 5 19.603 -3.689 3.980 1.00 41.21 H new ATOM 0 HG3 GLN A 5 20.065 -3.309 5.627 1.00 41.21 H new ATOM 0 HE21 GLN A 5 21.240 -3.880 2.335 1.00 44.30 H new ATOM 0 HE22 GLN A 5 22.930 -3.472 2.649 1.00 44.30 H new ATOM 67 N LEU A 6 19.005 -5.285 7.971 1.00 32.10 N ATOM 68 CA LEU A 6 18.079 -5.629 9.054 1.00 73.53 C ATOM 69 C LEU A 6 17.059 -6.643 8.555 1.00 21.21 C ATOM 70 O LEU A 6 16.908 -7.692 9.188 1.00 13.33 O ATOM 71 CB LEU A 6 17.327 -4.412 9.622 1.00 74.45 C ATOM 72 CG LEU A 6 18.174 -3.470 10.487 1.00 61.21 C ATOM 73 CD1 LEU A 6 17.286 -2.339 11.010 1.00 41.13 C ATOM 74 CD2 LEU A 6 18.795 -4.210 11.679 1.00 45.11 C ATOM 0 H LEU A 6 18.843 -4.374 7.542 1.00 32.10 H new ATOM 0 HA LEU A 6 18.687 -6.043 9.859 1.00 73.53 H new ATOM 0 HB2 LEU A 6 16.911 -3.842 8.792 1.00 74.45 H new ATOM 0 HB3 LEU A 6 16.486 -4.769 10.217 1.00 74.45 H new ATOM 0 HG LEU A 6 18.982 -3.074 9.871 1.00 61.21 H new ATOM 0 HD11 LEU A 6 17.881 -1.665 11.626 1.00 41.13 H new ATOM 0 HD12 LEU A 6 16.867 -1.787 10.169 1.00 41.13 H new ATOM 0 HD13 LEU A 6 16.477 -2.758 11.608 1.00 41.13 H new ATOM 0 HD21 LEU A 6 19.389 -3.513 12.271 1.00 45.11 H new ATOM 0 HD22 LEU A 6 18.003 -4.630 12.299 1.00 45.11 H new ATOM 0 HD23 LEU A 6 19.435 -5.014 11.315 1.00 45.11 H new ATOM 86 N ASN A 7 16.405 -6.319 7.429 1.00 24.23 N ATOM 87 CA ASN A 7 15.369 -7.067 6.720 1.00 32.55 C ATOM 88 C ASN A 7 14.207 -7.490 7.632 1.00 5.43 C ATOM 89 O ASN A 7 14.220 -7.278 8.847 1.00 44.12 O ATOM 90 CB ASN A 7 16.000 -8.282 6.022 1.00 5.22 C ATOM 91 CG ASN A 7 16.789 -7.917 4.775 1.00 32.41 C ATOM 92 OD1 ASN A 7 16.201 -7.548 3.762 1.00 50.44 O ATOM 93 ND2 ASN A 7 18.104 -8.043 4.807 1.00 2.12 N ATOM 0 H ASN A 7 16.612 -5.442 6.951 1.00 24.23 H new ATOM 0 HA ASN A 7 14.934 -6.404 5.972 1.00 32.55 H new ATOM 0 HB2 ASN A 7 16.659 -8.793 6.724 1.00 5.22 H new ATOM 0 HB3 ASN A 7 15.213 -8.986 5.752 1.00 5.22 H new ATOM 0 HD21 ASN A 7 18.657 -7.832 3.976 1.00 2.12 H new ATOM 0 HD22 ASN A 7 18.566 -8.352 5.662 1.00 2.12 H new ATOM 100 N ALA A 8 13.188 -8.126 7.047 1.00 62.33 N ATOM 101 CA ALA A 8 12.021 -8.612 7.787 1.00 52.44 C ATOM 102 C ALA A 8 11.885 -10.142 7.719 1.00 73.03 C ATOM 103 O ALA A 8 11.124 -10.714 8.498 1.00 74.51 O ATOM 104 CB ALA A 8 10.768 -7.909 7.270 1.00 1.02 C ATOM 0 H ALA A 8 13.149 -8.318 6.046 1.00 62.33 H new ATOM 0 HA ALA A 8 12.154 -8.371 8.842 1.00 52.44 H new ATOM 0 HB1 ALA A 8 9.897 -8.268 7.818 1.00 1.02 H new ATOM 0 HB2 ALA A 8 10.869 -6.833 7.413 1.00 1.02 H new ATOM 0 HB3 ALA A 8 10.642 -8.123 6.209 1.00 1.02 H new ATOM 110 N THR A 9 12.623 -10.786 6.806 1.00 61.53 N ATOM 111 CA THR A 9 12.716 -12.217 6.509 1.00 2.14 C ATOM 112 C THR A 9 11.354 -12.894 6.300 1.00 42.43 C ATOM 113 O THR A 9 11.000 -13.258 5.176 1.00 55.54 O ATOM 114 CB THR A 9 13.566 -12.922 7.586 1.00 1.52 C ATOM 115 OG1 THR A 9 14.671 -12.123 7.967 1.00 4.54 O ATOM 116 CG2 THR A 9 14.045 -14.308 7.147 1.00 2.14 C ATOM 0 H THR A 9 13.238 -10.255 6.189 1.00 61.53 H new ATOM 0 HA THR A 9 13.219 -12.317 5.547 1.00 2.14 H new ATOM 0 HB THR A 9 12.913 -13.062 8.448 1.00 1.52 H new ATOM 0 HG1 THR A 9 15.193 -12.591 8.652 1.00 4.54 H new ATOM 0 HG21 THR A 9 14.638 -14.757 7.944 1.00 2.14 H new ATOM 0 HG22 THR A 9 13.183 -14.941 6.935 1.00 2.14 H new ATOM 0 HG23 THR A 9 14.655 -14.214 6.249 1.00 2.14 H new ATOM 124 N LYS A 10 10.643 -13.147 7.395 1.00 22.25 N ATOM 125 CA LYS A 10 9.341 -13.779 7.469 1.00 70.34 C ATOM 126 C LYS A 10 8.339 -13.034 6.595 1.00 2.43 C ATOM 127 O LYS A 10 8.477 -11.827 6.403 1.00 53.54 O ATOM 128 CB LYS A 10 8.923 -13.789 8.943 1.00 32.51 C ATOM 129 CG LYS A 10 8.062 -15.016 9.285 1.00 72.13 C ATOM 130 CD LYS A 10 8.289 -15.528 10.710 1.00 11.14 C ATOM 131 CE LYS A 10 9.728 -16.036 10.876 1.00 4.30 C ATOM 132 NZ LYS A 10 9.931 -16.737 12.151 1.00 33.11 N ATOM 0 H LYS A 10 10.993 -12.895 8.319 1.00 22.25 H new ATOM 0 HA LYS A 10 9.376 -14.802 7.093 1.00 70.34 H new ATOM 0 HB2 LYS A 10 9.813 -13.782 9.573 1.00 32.51 H new ATOM 0 HB3 LYS A 10 8.366 -12.880 9.169 1.00 32.51 H new ATOM 0 HG2 LYS A 10 7.010 -14.761 9.160 1.00 72.13 H new ATOM 0 HG3 LYS A 10 8.282 -15.816 8.578 1.00 72.13 H new ATOM 0 HD2 LYS A 10 8.094 -14.729 11.425 1.00 11.14 H new ATOM 0 HD3 LYS A 10 7.586 -16.331 10.930 1.00 11.14 H new ATOM 0 HE2 LYS A 10 9.970 -16.708 10.053 1.00 4.30 H new ATOM 0 HE3 LYS A 10 10.417 -15.194 10.814 1.00 4.30 H new ATOM 0 HZ1 LYS A 10 10.917 -17.061 12.216 1.00 33.11 H new ATOM 0 HZ2 LYS A 10 9.726 -16.090 12.939 1.00 33.11 H new ATOM 0 HZ3 LYS A 10 9.293 -17.557 12.202 1.00 33.11 H new ATOM 146 N LYS A 11 7.309 -13.762 6.150 1.00 73.02 N ATOM 147 CA LYS A 11 6.221 -13.322 5.282 1.00 0.42 C ATOM 148 C LYS A 11 6.817 -12.621 4.071 1.00 61.31 C ATOM 149 O LYS A 11 7.066 -11.423 4.093 1.00 73.13 O ATOM 150 CB LYS A 11 5.164 -12.523 6.064 1.00 24.23 C ATOM 151 CG LYS A 11 4.046 -13.458 6.565 1.00 31.04 C ATOM 152 CD LYS A 11 3.420 -13.039 7.898 1.00 60.51 C ATOM 153 CE LYS A 11 4.357 -13.383 9.061 1.00 1.24 C ATOM 154 NZ LYS A 11 3.671 -13.263 10.362 1.00 31.23 N ATOM 0 H LYS A 11 7.211 -14.744 6.408 1.00 73.02 H new ATOM 0 HA LYS A 11 5.657 -14.172 4.898 1.00 0.42 H new ATOM 0 HB2 LYS A 11 5.632 -12.019 6.910 1.00 24.23 H new ATOM 0 HB3 LYS A 11 4.740 -11.748 5.426 1.00 24.23 H new ATOM 0 HG2 LYS A 11 3.263 -13.505 5.809 1.00 31.04 H new ATOM 0 HG3 LYS A 11 4.450 -14.465 6.668 1.00 31.04 H new ATOM 0 HD2 LYS A 11 3.217 -11.968 7.891 1.00 60.51 H new ATOM 0 HD3 LYS A 11 2.463 -13.544 8.032 1.00 60.51 H new ATOM 0 HE2 LYS A 11 4.732 -14.399 8.939 1.00 1.24 H new ATOM 0 HE3 LYS A 11 5.221 -12.719 9.042 1.00 1.24 H new ATOM 0 HZ1 LYS A 11 4.333 -13.503 11.127 1.00 31.23 H new ATOM 0 HZ2 LYS A 11 3.335 -12.287 10.488 1.00 31.23 H new ATOM 0 HZ3 LYS A 11 2.861 -13.915 10.389 1.00 31.23 H new ATOM 168 N ASP A 12 7.022 -13.369 2.986 1.00 12.33 N ATOM 169 CA ASP A 12 7.624 -12.859 1.754 1.00 5.23 C ATOM 170 C ASP A 12 6.834 -11.674 1.210 1.00 22.00 C ATOM 171 O ASP A 12 7.406 -10.776 0.602 1.00 71.32 O ATOM 172 CB ASP A 12 7.705 -13.986 0.719 1.00 32.03 C ATOM 173 CG ASP A 12 8.907 -13.858 -0.211 1.00 22.14 C ATOM 174 OD1 ASP A 12 8.707 -13.911 -1.447 1.00 22.43 O ATOM 175 OD2 ASP A 12 10.058 -13.904 0.285 1.00 51.50 O ATOM 0 H ASP A 12 6.772 -14.357 2.938 1.00 12.33 H new ATOM 0 HA ASP A 12 8.632 -12.506 1.973 1.00 5.23 H new ATOM 0 HB2 ASP A 12 7.754 -14.944 1.237 1.00 32.03 H new ATOM 0 HB3 ASP A 12 6.792 -13.991 0.124 1.00 32.03 H new ATOM 180 N LYS A 13 5.516 -11.658 1.448 1.00 72.03 N ATOM 181 CA LYS A 13 4.645 -10.577 1.022 1.00 5.32 C ATOM 182 C LYS A 13 5.038 -9.322 1.794 1.00 75.45 C ATOM 183 O LYS A 13 5.246 -8.273 1.199 1.00 12.41 O ATOM 184 CB LYS A 13 3.180 -10.931 1.338 1.00 53.14 C ATOM 185 CG LYS A 13 2.639 -12.221 0.703 1.00 63.22 C ATOM 186 CD LYS A 13 2.324 -12.077 -0.793 1.00 2.31 C ATOM 187 CE LYS A 13 3.534 -12.404 -1.670 1.00 35.23 C ATOM 188 NZ LYS A 13 3.854 -13.844 -1.647 1.00 22.21 N ATOM 0 H LYS A 13 5.030 -12.404 1.946 1.00 72.03 H new ATOM 0 HA LYS A 13 4.745 -10.415 -0.051 1.00 5.32 H new ATOM 0 HB2 LYS A 13 3.073 -11.011 2.420 1.00 53.14 H new ATOM 0 HB3 LYS A 13 2.551 -10.101 1.016 1.00 53.14 H new ATOM 0 HG2 LYS A 13 3.370 -13.018 0.838 1.00 63.22 H new ATOM 0 HG3 LYS A 13 1.735 -12.525 1.230 1.00 63.22 H new ATOM 0 HD2 LYS A 13 1.498 -12.738 -1.054 1.00 2.31 H new ATOM 0 HD3 LYS A 13 1.994 -11.059 -0.997 1.00 2.31 H new ATOM 0 HE2 LYS A 13 3.335 -12.092 -2.695 1.00 35.23 H new ATOM 0 HE3 LYS A 13 4.397 -11.834 -1.326 1.00 35.23 H new ATOM 0 HZ1 LYS A 13 4.445 -14.081 -2.469 1.00 22.21 H new ATOM 0 HZ2 LYS A 13 4.370 -14.071 -0.773 1.00 22.21 H new ATOM 0 HZ3 LYS A 13 2.973 -14.396 -1.683 1.00 22.21 H new ATOM 202 N LEU A 14 5.128 -9.420 3.116 1.00 31.51 N ATOM 203 CA LEU A 14 5.482 -8.287 3.946 1.00 44.23 C ATOM 204 C LEU A 14 6.942 -7.902 3.756 1.00 62.31 C ATOM 205 O LEU A 14 7.237 -6.720 3.834 1.00 34.12 O ATOM 206 CB LEU A 14 5.206 -8.599 5.425 1.00 73.24 C ATOM 207 CG LEU A 14 3.747 -8.981 5.737 1.00 21.42 C ATOM 208 CD1 LEU A 14 3.593 -9.310 7.222 1.00 64.23 C ATOM 209 CD2 LEU A 14 2.762 -7.866 5.404 1.00 52.33 C ATOM 0 H LEU A 14 4.958 -10.282 3.634 1.00 31.51 H new ATOM 0 HA LEU A 14 4.864 -7.442 3.641 1.00 44.23 H new ATOM 0 HB2 LEU A 14 5.857 -9.415 5.738 1.00 73.24 H new ATOM 0 HB3 LEU A 14 5.476 -7.729 6.023 1.00 73.24 H new ATOM 0 HG LEU A 14 3.520 -9.846 5.114 1.00 21.42 H new ATOM 0 HD11 LEU A 14 2.557 -9.578 7.430 1.00 64.23 H new ATOM 0 HD12 LEU A 14 4.243 -10.146 7.479 1.00 64.23 H new ATOM 0 HD13 LEU A 14 3.869 -8.440 7.818 1.00 64.23 H new ATOM 0 HD21 LEU A 14 1.750 -8.191 5.644 1.00 52.33 H new ATOM 0 HD22 LEU A 14 3.006 -6.978 5.988 1.00 52.33 H new ATOM 0 HD23 LEU A 14 2.825 -7.630 4.342 1.00 52.33 H new ATOM 221 N GLN A 15 7.837 -8.834 3.417 1.00 24.33 N ATOM 222 CA GLN A 15 9.255 -8.541 3.259 1.00 53.23 C ATOM 223 C GLN A 15 9.519 -7.445 2.220 1.00 61.22 C ATOM 224 O GLN A 15 10.329 -6.556 2.489 1.00 35.12 O ATOM 225 CB GLN A 15 10.066 -9.823 2.963 1.00 20.33 C ATOM 226 CG GLN A 15 11.532 -9.603 3.371 1.00 34.24 C ATOM 227 CD GLN A 15 12.544 -10.615 2.838 1.00 53.40 C ATOM 228 OE1 GLN A 15 13.533 -10.222 2.230 1.00 40.25 O ATOM 229 NE2 GLN A 15 12.393 -11.903 3.089 1.00 22.45 N ATOM 0 H GLN A 15 7.595 -9.810 3.246 1.00 24.33 H new ATOM 0 HA GLN A 15 9.602 -8.145 4.213 1.00 53.23 H new ATOM 0 HB2 GLN A 15 9.647 -10.667 3.511 1.00 20.33 H new ATOM 0 HB3 GLN A 15 10.005 -10.069 1.903 1.00 20.33 H new ATOM 0 HG2 GLN A 15 11.834 -8.610 3.038 1.00 34.24 H new ATOM 0 HG3 GLN A 15 11.588 -9.605 4.460 1.00 34.24 H new ATOM 0 HE21 GLN A 15 11.570 -12.231 3.595 1.00 22.45 H new ATOM 0 HE22 GLN A 15 13.099 -12.570 2.777 1.00 22.45 H new ATOM 238 N VAL A 16 8.852 -7.471 1.061 1.00 41.14 N ATOM 239 CA VAL A 16 9.084 -6.452 0.036 1.00 3.35 C ATOM 240 C VAL A 16 8.547 -5.081 0.468 1.00 62.04 C ATOM 241 O VAL A 16 9.152 -4.059 0.143 1.00 14.54 O ATOM 242 CB VAL A 16 8.544 -6.895 -1.343 1.00 20.41 C ATOM 243 CG1 VAL A 16 8.926 -8.345 -1.665 1.00 5.01 C ATOM 244 CG2 VAL A 16 7.026 -6.789 -1.499 1.00 22.42 C ATOM 0 H VAL A 16 8.158 -8.176 0.813 1.00 41.14 H new ATOM 0 HA VAL A 16 10.162 -6.340 -0.077 1.00 3.35 H new ATOM 0 HB VAL A 16 9.013 -6.194 -2.033 1.00 20.41 H new ATOM 0 HG11 VAL A 16 8.528 -8.618 -2.642 1.00 5.01 H new ATOM 0 HG12 VAL A 16 10.012 -8.441 -1.676 1.00 5.01 H new ATOM 0 HG13 VAL A 16 8.510 -9.008 -0.906 1.00 5.01 H new ATOM 0 HG21 VAL A 16 6.739 -7.121 -2.497 1.00 22.42 H new ATOM 0 HG22 VAL A 16 6.539 -7.417 -0.753 1.00 22.42 H new ATOM 0 HG23 VAL A 16 6.717 -5.753 -1.358 1.00 22.42 H new ATOM 254 N ILE A 17 7.419 -5.049 1.183 1.00 44.01 N ATOM 255 CA ILE A 17 6.798 -3.813 1.645 1.00 31.24 C ATOM 256 C ILE A 17 7.644 -3.229 2.773 1.00 35.02 C ATOM 257 O ILE A 17 7.930 -2.037 2.798 1.00 62.10 O ATOM 258 CB ILE A 17 5.327 -4.029 2.065 1.00 51.02 C ATOM 259 CG1 ILE A 17 4.540 -4.878 1.037 1.00 64.43 C ATOM 260 CG2 ILE A 17 4.652 -2.653 2.225 1.00 11.52 C ATOM 261 CD1 ILE A 17 3.176 -5.325 1.561 1.00 61.42 C ATOM 0 H ILE A 17 6.910 -5.889 1.458 1.00 44.01 H new ATOM 0 HA ILE A 17 6.765 -3.097 0.823 1.00 31.24 H new ATOM 0 HB ILE A 17 5.320 -4.577 3.007 1.00 51.02 H new ATOM 0 HG12 ILE A 17 4.402 -4.299 0.124 1.00 64.43 H new ATOM 0 HG13 ILE A 17 5.128 -5.756 0.771 1.00 64.43 H new ATOM 0 HG21 ILE A 17 3.612 -2.790 2.522 1.00 11.52 H new ATOM 0 HG22 ILE A 17 5.175 -2.078 2.990 1.00 11.52 H new ATOM 0 HG23 ILE A 17 4.691 -2.116 1.277 1.00 11.52 H new ATOM 0 HD11 ILE A 17 2.669 -5.916 0.798 1.00 61.42 H new ATOM 0 HD12 ILE A 17 3.311 -5.929 2.458 1.00 61.42 H new ATOM 0 HD13 ILE A 17 2.573 -4.449 1.801 1.00 61.42 H new ATOM 273 N ASP A 18 8.075 -4.083 3.691 1.00 52.05 N ATOM 274 CA ASP A 18 8.895 -3.718 4.831 1.00 34.53 C ATOM 275 C ASP A 18 10.226 -3.141 4.303 1.00 54.10 C ATOM 276 O ASP A 18 10.836 -2.307 4.971 1.00 54.34 O ATOM 277 CB ASP A 18 9.079 -4.939 5.756 1.00 73.11 C ATOM 278 CG ASP A 18 7.843 -5.378 6.579 1.00 1.34 C ATOM 279 OD1 ASP A 18 8.003 -6.332 7.381 1.00 10.14 O ATOM 280 OD2 ASP A 18 6.717 -4.827 6.467 1.00 64.15 O ATOM 0 H ASP A 18 7.855 -5.079 3.659 1.00 52.05 H new ATOM 0 HA ASP A 18 8.417 -2.949 5.438 1.00 34.53 H new ATOM 0 HB2 ASP A 18 9.399 -5.783 5.146 1.00 73.11 H new ATOM 0 HB3 ASP A 18 9.891 -4.721 6.450 1.00 73.11 H new ATOM 285 N TRP A 19 10.704 -3.581 3.127 1.00 43.10 N ATOM 286 CA TRP A 19 11.927 -3.103 2.478 1.00 73.01 C ATOM 287 C TRP A 19 11.704 -1.718 1.849 1.00 32.44 C ATOM 288 O TRP A 19 12.449 -0.782 2.155 1.00 22.22 O ATOM 289 CB TRP A 19 12.407 -4.120 1.431 1.00 45.12 C ATOM 290 CG TRP A 19 13.452 -3.621 0.480 1.00 51.04 C ATOM 291 CD1 TRP A 19 13.262 -3.433 -0.845 1.00 15.41 C ATOM 292 CD2 TRP A 19 14.814 -3.167 0.756 1.00 12.10 C ATOM 293 NE1 TRP A 19 14.407 -2.913 -1.407 1.00 73.01 N ATOM 294 CE2 TRP A 19 15.391 -2.710 -0.466 1.00 24.42 C ATOM 295 CE3 TRP A 19 15.609 -3.055 1.918 1.00 53.24 C ATOM 296 CZ2 TRP A 19 16.682 -2.163 -0.529 1.00 53.32 C ATOM 297 CZ3 TRP A 19 16.897 -2.489 1.869 1.00 64.32 C ATOM 298 CH2 TRP A 19 17.433 -2.037 0.650 1.00 10.42 C ATOM 0 H TRP A 19 10.230 -4.305 2.587 1.00 43.10 H new ATOM 0 HA TRP A 19 12.706 -3.001 3.234 1.00 73.01 H new ATOM 0 HB2 TRP A 19 12.801 -4.993 1.952 1.00 45.12 H new ATOM 0 HB3 TRP A 19 11.545 -4.455 0.854 1.00 45.12 H new ATOM 0 HD1 TRP A 19 12.351 -3.656 -1.381 1.00 15.41 H new ATOM 0 HE1 TRP A 19 14.513 -2.704 -2.400 1.00 73.01 H new ATOM 0 HE3 TRP A 19 15.222 -3.410 2.862 1.00 53.24 H new ATOM 0 HZ2 TRP A 19 17.093 -1.842 -1.475 1.00 53.32 H new ATOM 0 HZ3 TRP A 19 17.478 -2.401 2.775 1.00 64.32 H new ATOM 0 HH2 TRP A 19 18.418 -1.595 0.621 1.00 10.42 H new ATOM 309 N LEU A 20 10.688 -1.565 0.982 1.00 1.00 N ATOM 310 CA LEU A 20 10.382 -0.289 0.324 1.00 42.40 C ATOM 311 C LEU A 20 10.030 0.798 1.338 1.00 75.32 C ATOM 312 O LEU A 20 10.364 1.955 1.092 1.00 72.10 O ATOM 313 CB LEU A 20 9.364 -0.476 -0.821 1.00 3.41 C ATOM 314 CG LEU A 20 7.926 -0.810 -0.381 1.00 4.51 C ATOM 315 CD1 LEU A 20 7.044 0.423 -0.179 1.00 24.51 C ATOM 316 CD2 LEU A 20 7.214 -1.738 -1.368 1.00 54.22 C ATOM 0 H LEU A 20 10.058 -2.323 0.720 1.00 1.00 H new ATOM 0 HA LEU A 20 11.283 0.080 -0.166 1.00 42.40 H new ATOM 0 HB2 LEU A 20 9.341 0.437 -1.416 1.00 3.41 H new ATOM 0 HB3 LEU A 20 9.720 -1.273 -1.474 1.00 3.41 H new ATOM 0 HG LEU A 20 8.056 -1.311 0.578 1.00 4.51 H new ATOM 0 HD11 LEU A 20 6.047 0.110 0.130 1.00 24.51 H new ATOM 0 HD12 LEU A 20 7.479 1.060 0.591 1.00 24.51 H new ATOM 0 HD13 LEU A 20 6.976 0.979 -1.114 1.00 24.51 H new ATOM 0 HD21 LEU A 20 6.204 -1.942 -1.012 1.00 54.22 H new ATOM 0 HD22 LEU A 20 7.164 -1.259 -2.346 1.00 54.22 H new ATOM 0 HD23 LEU A 20 7.766 -2.674 -1.450 1.00 54.22 H new ATOM 328 N ILE A 21 9.404 0.459 2.468 1.00 4.31 N ATOM 329 CA ILE A 21 9.062 1.427 3.510 1.00 73.44 C ATOM 330 C ILE A 21 10.348 2.113 3.986 1.00 11.43 C ATOM 331 O ILE A 21 10.366 3.324 4.198 1.00 60.20 O ATOM 332 CB ILE A 21 8.335 0.688 4.665 1.00 55.40 C ATOM 333 CG1 ILE A 21 6.843 0.527 4.305 1.00 23.45 C ATOM 334 CG2 ILE A 21 8.486 1.376 6.038 1.00 52.24 C ATOM 335 CD1 ILE A 21 6.111 -0.514 5.156 1.00 11.41 C ATOM 0 H ILE A 21 9.120 -0.496 2.685 1.00 4.31 H new ATOM 0 HA ILE A 21 8.390 2.196 3.129 1.00 73.44 H new ATOM 0 HB ILE A 21 8.812 -0.286 4.770 1.00 55.40 H new ATOM 0 HG12 ILE A 21 6.346 1.490 4.418 1.00 23.45 H new ATOM 0 HG13 ILE A 21 6.760 0.247 3.255 1.00 23.45 H new ATOM 0 HG21 ILE A 21 7.951 0.801 6.794 1.00 52.24 H new ATOM 0 HG22 ILE A 21 9.542 1.431 6.303 1.00 52.24 H new ATOM 0 HG23 ILE A 21 8.072 2.383 5.988 1.00 52.24 H new ATOM 0 HD11 ILE A 21 5.068 -0.570 4.844 1.00 11.41 H new ATOM 0 HD12 ILE A 21 6.582 -1.488 5.024 1.00 11.41 H new ATOM 0 HD13 ILE A 21 6.161 -0.226 6.206 1.00 11.41 H new ATOM 347 N GLU A 22 11.424 1.347 4.167 1.00 62.10 N ATOM 348 CA GLU A 22 12.704 1.847 4.630 1.00 32.42 C ATOM 349 C GLU A 22 13.451 2.660 3.569 1.00 50.32 C ATOM 350 O GLU A 22 14.272 3.510 3.922 1.00 71.15 O ATOM 351 CB GLU A 22 13.574 0.676 5.110 1.00 61.42 C ATOM 352 CG GLU A 22 14.527 1.134 6.225 1.00 52.54 C ATOM 353 CD GLU A 22 13.833 1.104 7.584 1.00 63.41 C ATOM 354 OE1 GLU A 22 13.881 0.059 8.275 1.00 62.50 O ATOM 355 OE2 GLU A 22 13.118 2.077 7.932 1.00 11.34 O ATOM 0 H GLU A 22 11.423 0.342 3.990 1.00 62.10 H new ATOM 0 HA GLU A 22 12.501 2.528 5.457 1.00 32.42 H new ATOM 0 HB2 GLU A 22 12.939 -0.131 5.475 1.00 61.42 H new ATOM 0 HB3 GLU A 22 14.148 0.276 4.274 1.00 61.42 H new ATOM 0 HG2 GLU A 22 15.405 0.488 6.246 1.00 52.54 H new ATOM 0 HG3 GLU A 22 14.880 2.144 6.015 1.00 52.54 H new ATOM 362 N ASN A 23 13.175 2.423 2.283 1.00 21.41 N ATOM 363 CA ASN A 23 13.860 3.106 1.186 1.00 10.23 C ATOM 364 C ASN A 23 13.609 4.610 1.163 1.00 34.03 C ATOM 365 O ASN A 23 14.579 5.371 1.147 1.00 60.23 O ATOM 366 CB ASN A 23 13.499 2.445 -0.158 1.00 64.11 C ATOM 367 CG ASN A 23 12.729 3.312 -1.144 1.00 53.52 C ATOM 368 OD1 ASN A 23 13.315 3.996 -1.963 1.00 43.45 O ATOM 369 ND2 ASN A 23 11.413 3.290 -1.117 1.00 14.25 N ATOM 0 H ASN A 23 12.471 1.752 1.975 1.00 21.41 H new ATOM 0 HA ASN A 23 14.931 2.995 1.356 1.00 10.23 H new ATOM 0 HB2 ASN A 23 14.421 2.116 -0.637 1.00 64.11 H new ATOM 0 HB3 ASN A 23 12.910 1.551 0.046 1.00 64.11 H new ATOM 0 HD21 ASN A 23 10.880 3.848 -1.784 1.00 14.25 H new ATOM 0 HD22 ASN A 23 10.927 2.715 -0.429 1.00 14.25 H new ATOM 376 N PHE A 24 12.344 5.014 1.285 1.00 3.13 N ATOM 377 CA PHE A 24 11.955 6.430 1.272 1.00 65.33 C ATOM 378 C PHE A 24 11.289 6.884 2.572 1.00 75.24 C ATOM 379 O PHE A 24 10.082 6.712 2.739 1.00 55.21 O ATOM 380 CB PHE A 24 11.133 6.842 0.044 1.00 44.34 C ATOM 381 CG PHE A 24 11.946 7.362 -1.131 1.00 5.51 C ATOM 382 CD1 PHE A 24 12.934 8.362 -0.985 1.00 21.14 C ATOM 383 CD2 PHE A 24 11.645 6.889 -2.411 1.00 71.13 C ATOM 384 CE1 PHE A 24 13.613 8.854 -2.113 1.00 65.40 C ATOM 385 CE2 PHE A 24 12.341 7.352 -3.537 1.00 55.33 C ATOM 386 CZ PHE A 24 13.323 8.344 -3.389 1.00 61.40 C ATOM 0 H PHE A 24 11.559 4.372 1.396 1.00 3.13 H new ATOM 0 HA PHE A 24 12.902 6.965 1.194 1.00 65.33 H new ATOM 0 HB2 PHE A 24 10.550 5.983 -0.289 1.00 44.34 H new ATOM 0 HB3 PHE A 24 10.422 7.612 0.343 1.00 44.34 H new ATOM 0 HD1 PHE A 24 13.168 8.749 -0.004 1.00 21.14 H new ATOM 0 HD2 PHE A 24 10.863 6.154 -2.535 1.00 71.13 H new ATOM 0 HE1 PHE A 24 14.359 9.626 -1.998 1.00 65.40 H new ATOM 0 HE2 PHE A 24 12.122 6.947 -4.514 1.00 55.33 H new ATOM 0 HZ PHE A 24 13.854 8.714 -4.254 1.00 61.40 H new ATOM 396 N PRO A 25 12.036 7.508 3.497 1.00 52.23 N ATOM 397 CA PRO A 25 11.506 7.998 4.766 1.00 12.41 C ATOM 398 C PRO A 25 10.680 9.291 4.605 1.00 31.10 C ATOM 399 O PRO A 25 10.551 10.039 5.579 1.00 24.42 O ATOM 400 CB PRO A 25 12.759 8.210 5.631 1.00 63.00 C ATOM 401 CG PRO A 25 13.787 8.670 4.605 1.00 52.13 C ATOM 402 CD PRO A 25 13.468 7.777 3.416 1.00 60.41 C ATOM 0 HA PRO A 25 10.803 7.297 5.216 1.00 12.41 H new ATOM 0 HB2 PRO A 25 12.596 8.958 6.407 1.00 63.00 H new ATOM 0 HB3 PRO A 25 13.067 7.293 6.132 1.00 63.00 H new ATOM 0 HG2 PRO A 25 13.677 9.727 4.363 1.00 52.13 H new ATOM 0 HG3 PRO A 25 14.808 8.529 4.959 1.00 52.13 H new ATOM 0 HD2 PRO A 25 13.721 8.270 2.477 1.00 60.41 H new ATOM 0 HD3 PRO A 25 14.043 6.852 3.456 1.00 60.41 H new ATOM 410 N ASN A 26 10.180 9.630 3.402 1.00 14.23 N ATOM 411 CA ASN A 26 9.410 10.863 3.245 1.00 32.13 C ATOM 412 C ASN A 26 7.970 10.685 3.695 1.00 44.40 C ATOM 413 O ASN A 26 7.331 11.672 4.058 1.00 42.45 O ATOM 414 CB ASN A 26 9.342 11.281 1.778 1.00 14.13 C ATOM 415 CG ASN A 26 10.540 12.137 1.436 1.00 11.21 C ATOM 416 OD1 ASN A 26 10.561 13.324 1.727 1.00 23.03 O ATOM 417 ND2 ASN A 26 11.552 11.528 0.864 1.00 70.13 N ATOM 0 H ASN A 26 10.294 9.080 2.550 1.00 14.23 H new ATOM 0 HA ASN A 26 9.918 11.612 3.853 1.00 32.13 H new ATOM 0 HB2 ASN A 26 9.319 10.398 1.139 1.00 14.13 H new ATOM 0 HB3 ASN A 26 8.422 11.834 1.590 1.00 14.13 H new ATOM 0 HD21 ASN A 26 12.402 12.048 0.644 1.00 70.13 H new ATOM 0 HD22 ASN A 26 11.489 10.535 0.639 1.00 70.13 H new ATOM 424 N ALA A 27 7.488 9.439 3.725 1.00 33.12 N ATOM 425 CA ALA A 27 6.142 9.062 4.118 1.00 12.23 C ATOM 426 C ALA A 27 5.947 7.569 3.880 1.00 44.43 C ATOM 427 O ALA A 27 6.023 7.135 2.732 1.00 71.04 O ATOM 428 CB ALA A 27 5.161 9.756 3.156 1.00 15.32 C ATOM 0 H ALA A 27 8.058 8.635 3.463 1.00 33.12 H new ATOM 0 HA ALA A 27 5.981 9.329 5.162 1.00 12.23 H new ATOM 0 HB1 ALA A 27 4.139 9.492 3.426 1.00 15.32 H new ATOM 0 HB2 ALA A 27 5.287 10.837 3.225 1.00 15.32 H new ATOM 0 HB3 ALA A 27 5.362 9.432 2.135 1.00 15.32 H new ATOM 434 N PHE A 28 5.630 6.807 4.924 1.00 11.02 N ATOM 435 CA PHE A 28 5.356 5.370 4.888 1.00 42.12 C ATOM 436 C PHE A 28 4.955 4.920 6.296 1.00 61.21 C ATOM 437 O PHE A 28 5.279 5.590 7.279 1.00 43.00 O ATOM 438 CB PHE A 28 6.531 4.541 4.324 1.00 3.21 C ATOM 439 CG PHE A 28 6.314 4.083 2.887 1.00 21.43 C ATOM 440 CD1 PHE A 28 5.236 3.228 2.577 1.00 60.52 C ATOM 441 CD2 PHE A 28 7.164 4.524 1.853 1.00 35.23 C ATOM 442 CE1 PHE A 28 4.988 2.853 1.244 1.00 20.14 C ATOM 443 CE2 PHE A 28 6.903 4.165 0.519 1.00 73.52 C ATOM 444 CZ PHE A 28 5.803 3.344 0.212 1.00 43.22 C ATOM 0 H PHE A 28 5.553 7.193 5.865 1.00 11.02 H new ATOM 0 HA PHE A 28 4.534 5.189 4.195 1.00 42.12 H new ATOM 0 HB2 PHE A 28 7.443 5.136 4.374 1.00 3.21 H new ATOM 0 HB3 PHE A 28 6.686 3.667 4.957 1.00 3.21 H new ATOM 0 HD1 PHE A 28 4.598 2.859 3.367 1.00 60.52 H new ATOM 0 HD2 PHE A 28 8.020 5.140 2.086 1.00 35.23 H new ATOM 0 HE1 PHE A 28 4.170 2.187 1.014 1.00 20.14 H new ATOM 0 HE2 PHE A 28 7.548 4.520 -0.271 1.00 73.52 H new ATOM 0 HZ PHE A 28 5.586 3.092 -0.815 1.00 43.22 H new ATOM 454 N PHE A 29 4.245 3.798 6.422 1.00 61.33 N ATOM 455 CA PHE A 29 3.815 3.251 7.706 1.00 51.11 C ATOM 456 C PHE A 29 3.898 1.742 7.623 1.00 40.32 C ATOM 457 O PHE A 29 3.738 1.173 6.541 1.00 43.51 O ATOM 458 CB PHE A 29 2.391 3.678 8.068 1.00 33.22 C ATOM 459 CG PHE A 29 2.279 5.160 8.373 1.00 24.50 C ATOM 460 CD1 PHE A 29 1.870 6.065 7.375 1.00 73.12 C ATOM 461 CD2 PHE A 29 2.654 5.643 9.640 1.00 34.24 C ATOM 462 CE1 PHE A 29 1.847 7.446 7.639 1.00 41.32 C ATOM 463 CE2 PHE A 29 2.619 7.022 9.906 1.00 31.32 C ATOM 464 CZ PHE A 29 2.225 7.924 8.905 1.00 65.14 C ATOM 0 H PHE A 29 3.949 3.237 5.623 1.00 61.33 H new ATOM 0 HA PHE A 29 4.468 3.637 8.489 1.00 51.11 H new ATOM 0 HB2 PHE A 29 1.722 3.430 7.244 1.00 33.22 H new ATOM 0 HB3 PHE A 29 2.055 3.107 8.934 1.00 33.22 H new ATOM 0 HD1 PHE A 29 1.573 5.697 6.404 1.00 73.12 H new ATOM 0 HD2 PHE A 29 2.969 4.953 10.409 1.00 34.24 H new ATOM 0 HE1 PHE A 29 1.539 8.138 6.869 1.00 41.32 H new ATOM 0 HE2 PHE A 29 2.896 7.389 10.883 1.00 31.32 H new ATOM 0 HZ PHE A 29 2.212 8.985 9.108 1.00 65.14 H new ATOM 474 N LYS A 30 4.144 1.111 8.771 1.00 55.24 N ATOM 475 CA LYS A 30 4.265 -0.333 8.872 1.00 4.10 C ATOM 476 C LYS A 30 2.904 -0.938 9.198 1.00 23.43 C ATOM 477 O LYS A 30 2.353 -1.692 8.400 1.00 12.40 O ATOM 478 CB LYS A 30 5.324 -0.723 9.924 1.00 13.22 C ATOM 479 CG LYS A 30 6.793 -0.433 9.550 1.00 53.33 C ATOM 480 CD LYS A 30 7.223 1.037 9.683 1.00 0.21 C ATOM 481 CE LYS A 30 8.747 1.219 9.567 1.00 11.44 C ATOM 482 NZ LYS A 30 9.527 0.684 10.710 1.00 4.52 N ATOM 0 H LYS A 30 4.265 1.596 9.660 1.00 55.24 H new ATOM 0 HA LYS A 30 4.600 -0.732 7.915 1.00 4.10 H new ATOM 0 HB2 LYS A 30 5.096 -0.197 10.851 1.00 13.22 H new ATOM 0 HB3 LYS A 30 5.227 -1.789 10.130 1.00 13.22 H new ATOM 0 HG2 LYS A 30 7.439 -1.043 10.181 1.00 53.33 H new ATOM 0 HG3 LYS A 30 6.959 -0.752 8.521 1.00 53.33 H new ATOM 0 HD2 LYS A 30 6.730 1.627 8.911 1.00 0.21 H new ATOM 0 HD3 LYS A 30 6.886 1.425 10.644 1.00 0.21 H new ATOM 0 HE2 LYS A 30 9.088 0.732 8.653 1.00 11.44 H new ATOM 0 HE3 LYS A 30 8.965 2.282 9.463 1.00 11.44 H new ATOM 0 HZ1 LYS A 30 10.534 0.910 10.579 1.00 4.52 H new ATOM 0 HZ2 LYS A 30 9.187 1.114 11.594 1.00 4.52 H new ATOM 0 HZ3 LYS A 30 9.407 -0.348 10.759 1.00 4.52 H new ATOM 496 N LYS A 31 2.351 -0.640 10.375 1.00 2.40 N ATOM 497 CA LYS A 31 1.063 -1.197 10.788 1.00 74.14 C ATOM 498 C LYS A 31 -0.113 -0.546 10.067 1.00 51.54 C ATOM 499 O LYS A 31 -0.040 0.612 9.662 1.00 70.35 O ATOM 500 CB LYS A 31 0.915 -1.085 12.309 1.00 44.23 C ATOM 501 CG LYS A 31 1.674 -2.209 13.030 1.00 14.11 C ATOM 502 CD LYS A 31 1.500 -2.066 14.545 1.00 3.24 C ATOM 503 CE LYS A 31 2.016 -3.268 15.341 1.00 11.34 C ATOM 504 NZ LYS A 31 3.462 -3.510 15.171 1.00 31.25 N ATOM 0 H LYS A 31 2.776 -0.015 11.060 1.00 2.40 H new ATOM 0 HA LYS A 31 1.048 -2.249 10.504 1.00 74.14 H new ATOM 0 HB2 LYS A 31 1.291 -0.118 12.642 1.00 44.23 H new ATOM 0 HB3 LYS A 31 -0.141 -1.126 12.577 1.00 44.23 H new ATOM 0 HG2 LYS A 31 1.302 -3.180 12.702 1.00 14.11 H new ATOM 0 HG3 LYS A 31 2.732 -2.170 12.771 1.00 14.11 H new ATOM 0 HD2 LYS A 31 2.022 -1.169 14.879 1.00 3.24 H new ATOM 0 HD3 LYS A 31 0.443 -1.921 14.768 1.00 3.24 H new ATOM 0 HE2 LYS A 31 1.804 -3.111 16.399 1.00 11.34 H new ATOM 0 HE3 LYS A 31 1.468 -4.159 15.034 1.00 11.34 H new ATOM 0 HZ1 LYS A 31 3.744 -4.336 15.736 1.00 31.25 H new ATOM 0 HZ2 LYS A 31 3.668 -3.690 14.168 1.00 31.25 H new ATOM 0 HZ3 LYS A 31 3.994 -2.675 15.490 1.00 31.25 H new ATOM 518 N GLY A 32 -1.234 -1.261 10.006 1.00 55.01 N ATOM 519 CA GLY A 32 -2.460 -0.819 9.360 1.00 60.12 C ATOM 520 C GLY A 32 -3.114 0.347 10.097 1.00 34.12 C ATOM 521 O GLY A 32 -3.407 1.353 9.478 1.00 73.32 O ATOM 0 H GLY A 32 -1.313 -2.191 10.418 1.00 55.01 H new ATOM 0 HA2 GLY A 32 -2.241 -0.521 8.335 1.00 60.12 H new ATOM 0 HA3 GLY A 32 -3.161 -1.652 9.307 1.00 60.12 H new ATOM 525 N ASN A 33 -3.256 0.284 11.422 1.00 3.00 N ATOM 526 CA ASN A 33 -3.893 1.327 12.250 1.00 32.10 C ATOM 527 C ASN A 33 -3.268 2.728 12.162 1.00 11.14 C ATOM 528 O ASN A 33 -3.849 3.687 12.671 1.00 23.01 O ATOM 529 CB ASN A 33 -3.945 0.909 13.730 1.00 62.34 C ATOM 530 CG ASN A 33 -2.679 1.269 14.498 1.00 1.33 C ATOM 531 OD1 ASN A 33 -2.731 1.961 15.506 1.00 10.41 O ATOM 532 ND2 ASN A 33 -1.517 0.849 14.020 1.00 70.40 N ATOM 0 H ASN A 33 -2.925 -0.511 11.969 1.00 3.00 H new ATOM 0 HA ASN A 33 -4.892 1.410 11.823 1.00 32.10 H new ATOM 0 HB2 ASN A 33 -4.800 1.388 14.207 1.00 62.34 H new ATOM 0 HB3 ASN A 33 -4.107 -0.167 13.792 1.00 62.34 H new ATOM 0 HD21 ASN A 33 -0.650 1.102 14.493 1.00 70.40 H new ATOM 0 HD22 ASN A 33 -1.490 0.273 13.179 1.00 70.40 H new ATOM 539 N GLN A 34 -2.061 2.837 11.609 1.00 41.01 N ATOM 540 CA GLN A 34 -1.312 4.075 11.426 1.00 71.32 C ATOM 541 C GLN A 34 -1.133 4.383 9.931 1.00 3.51 C ATOM 542 O GLN A 34 -0.586 5.432 9.593 1.00 13.42 O ATOM 543 CB GLN A 34 0.037 3.986 12.175 1.00 4.31 C ATOM 544 CG GLN A 34 0.833 2.718 11.815 1.00 54.33 C ATOM 545 CD GLN A 34 2.278 2.683 12.305 1.00 30.13 C ATOM 546 OE1 GLN A 34 3.191 2.344 11.546 1.00 30.55 O ATOM 547 NE2 GLN A 34 2.525 2.986 13.570 1.00 52.43 N ATOM 0 H GLN A 34 -1.556 2.023 11.260 1.00 41.01 H new ATOM 0 HA GLN A 34 -1.872 4.907 11.853 1.00 71.32 H new ATOM 0 HB2 GLN A 34 0.637 4.865 11.941 1.00 4.31 H new ATOM 0 HB3 GLN A 34 -0.147 4.002 13.249 1.00 4.31 H new ATOM 0 HG2 GLN A 34 0.309 1.854 12.224 1.00 54.33 H new ATOM 0 HG3 GLN A 34 0.833 2.607 10.731 1.00 54.33 H new ATOM 0 HE21 GLN A 34 1.761 3.265 14.186 1.00 52.43 H new ATOM 0 HE22 GLN A 34 3.479 2.941 13.928 1.00 52.43 H new ATOM 556 N VAL A 35 -1.554 3.485 9.035 1.00 2.22 N ATOM 557 CA VAL A 35 -1.409 3.687 7.590 1.00 5.45 C ATOM 558 C VAL A 35 -2.225 4.895 7.093 1.00 40.23 C ATOM 559 O VAL A 35 -3.181 5.325 7.739 1.00 1.45 O ATOM 560 CB VAL A 35 -1.738 2.354 6.872 1.00 1.41 C ATOM 561 CG1 VAL A 35 -3.234 2.127 6.599 1.00 34.13 C ATOM 562 CG2 VAL A 35 -0.962 2.196 5.559 1.00 5.33 C ATOM 0 H VAL A 35 -2.002 2.604 9.288 1.00 2.22 H new ATOM 0 HA VAL A 35 -0.379 3.949 7.346 1.00 5.45 H new ATOM 0 HB VAL A 35 -1.420 1.593 7.584 1.00 1.41 H new ATOM 0 HG11 VAL A 35 -3.371 1.171 6.094 1.00 34.13 H new ATOM 0 HG12 VAL A 35 -3.779 2.120 7.543 1.00 34.13 H new ATOM 0 HG13 VAL A 35 -3.614 2.929 5.966 1.00 34.13 H new ATOM 0 HG21 VAL A 35 -1.226 1.247 5.092 1.00 5.33 H new ATOM 0 HG22 VAL A 35 -1.216 3.014 4.885 1.00 5.33 H new ATOM 0 HG23 VAL A 35 0.108 2.214 5.764 1.00 5.33 H new ATOM 572 N LYS A 36 -1.858 5.466 5.941 1.00 54.51 N ATOM 573 CA LYS A 36 -2.544 6.602 5.314 1.00 10.53 C ATOM 574 C LYS A 36 -2.541 6.365 3.799 1.00 24.42 C ATOM 575 O LYS A 36 -1.688 5.609 3.315 1.00 52.42 O ATOM 576 CB LYS A 36 -1.872 7.953 5.672 1.00 2.12 C ATOM 577 CG LYS A 36 -2.700 8.787 6.672 1.00 3.41 C ATOM 578 CD LYS A 36 -2.372 10.293 6.643 1.00 50.40 C ATOM 579 CE LYS A 36 -0.945 10.662 7.079 1.00 41.24 C ATOM 580 NZ LYS A 36 -0.778 10.733 8.541 1.00 40.30 N ATOM 0 H LYS A 36 -1.054 5.142 5.404 1.00 54.51 H new ATOM 0 HA LYS A 36 -3.566 6.667 5.688 1.00 10.53 H new ATOM 0 HB2 LYS A 36 -0.886 7.762 6.095 1.00 2.12 H new ATOM 0 HB3 LYS A 36 -1.722 8.532 4.760 1.00 2.12 H new ATOM 0 HG2 LYS A 36 -3.760 8.651 6.456 1.00 3.41 H new ATOM 0 HG3 LYS A 36 -2.529 8.406 7.679 1.00 3.41 H new ATOM 0 HD2 LYS A 36 -2.532 10.664 5.631 1.00 50.40 H new ATOM 0 HD3 LYS A 36 -3.078 10.815 7.289 1.00 50.40 H new ATOM 0 HE2 LYS A 36 -0.249 9.926 6.677 1.00 41.24 H new ATOM 0 HE3 LYS A 36 -0.678 11.625 6.643 1.00 41.24 H new ATOM 0 HZ1 LYS A 36 0.205 10.986 8.766 1.00 40.30 H new ATOM 0 HZ2 LYS A 36 -1.419 11.455 8.929 1.00 40.30 H new ATOM 0 HZ3 LYS A 36 -1.003 9.809 8.961 1.00 40.30 H new ATOM 594 N PRO A 37 -3.459 6.976 3.034 1.00 75.44 N ATOM 595 CA PRO A 37 -3.509 6.800 1.593 1.00 44.42 C ATOM 596 C PRO A 37 -2.331 7.525 0.937 1.00 11.15 C ATOM 597 O PRO A 37 -2.121 8.722 1.148 1.00 62.13 O ATOM 598 CB PRO A 37 -4.863 7.361 1.154 1.00 10.22 C ATOM 599 CG PRO A 37 -5.164 8.426 2.206 1.00 25.55 C ATOM 600 CD PRO A 37 -4.516 7.875 3.476 1.00 23.45 C ATOM 0 HA PRO A 37 -3.421 5.756 1.293 1.00 44.42 H new ATOM 0 HB2 PRO A 37 -4.815 7.788 0.152 1.00 10.22 H new ATOM 0 HB3 PRO A 37 -5.631 6.588 1.134 1.00 10.22 H new ATOM 0 HG2 PRO A 37 -4.743 9.393 1.929 1.00 25.55 H new ATOM 0 HG3 PRO A 37 -6.237 8.570 2.334 1.00 25.55 H new ATOM 0 HD2 PRO A 37 -4.111 8.681 4.088 1.00 23.45 H new ATOM 0 HD3 PRO A 37 -5.247 7.346 4.088 1.00 23.45 H new ATOM 608 N LEU A 38 -1.525 6.788 0.178 1.00 34.24 N ATOM 609 CA LEU A 38 -0.366 7.314 -0.544 1.00 25.33 C ATOM 610 C LEU A 38 -0.828 7.827 -1.909 1.00 33.33 C ATOM 611 O LEU A 38 -1.960 7.538 -2.318 1.00 54.22 O ATOM 612 CB LEU A 38 0.686 6.210 -0.714 1.00 31.05 C ATOM 613 CG LEU A 38 1.427 5.844 0.586 1.00 11.34 C ATOM 614 CD1 LEU A 38 2.097 4.478 0.424 1.00 34.23 C ATOM 615 CD2 LEU A 38 2.502 6.868 0.962 1.00 3.44 C ATOM 0 H LEU A 38 -1.661 5.786 0.044 1.00 34.24 H new ATOM 0 HA LEU A 38 0.084 8.133 0.017 1.00 25.33 H new ATOM 0 HB2 LEU A 38 0.200 5.317 -1.107 1.00 31.05 H new ATOM 0 HB3 LEU A 38 1.416 6.529 -1.458 1.00 31.05 H new ATOM 0 HG LEU A 38 0.682 5.829 1.382 1.00 11.34 H new ATOM 0 HD11 LEU A 38 2.621 4.219 1.344 1.00 34.23 H new ATOM 0 HD12 LEU A 38 1.339 3.724 0.213 1.00 34.23 H new ATOM 0 HD13 LEU A 38 2.809 4.517 -0.401 1.00 34.23 H new ATOM 0 HD21 LEU A 38 2.991 6.559 1.886 1.00 3.44 H new ATOM 0 HD22 LEU A 38 3.241 6.930 0.163 1.00 3.44 H new ATOM 0 HD23 LEU A 38 2.040 7.845 1.105 1.00 3.44 H new ATOM 627 N LYS A 39 0.033 8.584 -2.600 1.00 41.52 N ATOM 628 CA LYS A 39 -0.234 9.152 -3.925 1.00 13.42 C ATOM 629 C LYS A 39 -0.780 8.072 -4.872 1.00 24.02 C ATOM 630 O LYS A 39 -0.480 6.884 -4.729 1.00 13.00 O ATOM 631 CB LYS A 39 1.054 9.845 -4.433 1.00 72.13 C ATOM 632 CG LYS A 39 0.933 10.554 -5.799 1.00 21.45 C ATOM 633 CD LYS A 39 1.313 9.671 -6.993 1.00 14.30 C ATOM 634 CE LYS A 39 2.808 9.656 -7.298 1.00 51.42 C ATOM 635 NZ LYS A 39 3.240 10.582 -8.368 1.00 54.32 N ATOM 0 H LYS A 39 0.958 8.824 -2.243 1.00 41.52 H new ATOM 0 HA LYS A 39 -1.013 9.912 -3.877 1.00 13.42 H new ATOM 0 HB2 LYS A 39 1.369 10.578 -3.690 1.00 72.13 H new ATOM 0 HB3 LYS A 39 1.845 9.098 -4.500 1.00 72.13 H new ATOM 0 HG2 LYS A 39 -0.092 10.901 -5.928 1.00 21.45 H new ATOM 0 HG3 LYS A 39 1.570 11.438 -5.796 1.00 21.45 H new ATOM 0 HD2 LYS A 39 0.981 8.651 -6.799 1.00 14.30 H new ATOM 0 HD3 LYS A 39 0.775 10.018 -7.875 1.00 14.30 H new ATOM 0 HE2 LYS A 39 3.352 9.901 -6.386 1.00 51.42 H new ATOM 0 HE3 LYS A 39 3.096 8.643 -7.578 1.00 51.42 H new ATOM 0 HZ1 LYS A 39 4.248 10.429 -8.574 1.00 54.32 H new ATOM 0 HZ2 LYS A 39 2.681 10.405 -9.227 1.00 54.32 H new ATOM 0 HZ3 LYS A 39 3.095 11.564 -8.057 1.00 54.32 H new ATOM 649 N ILE A 40 -1.621 8.481 -5.818 1.00 12.31 N ATOM 650 CA ILE A 40 -2.244 7.594 -6.792 1.00 5.54 C ATOM 651 C ILE A 40 -1.179 6.802 -7.559 1.00 53.20 C ATOM 652 O ILE A 40 -0.270 7.364 -8.153 1.00 74.15 O ATOM 653 CB ILE A 40 -3.173 8.409 -7.715 1.00 45.21 C ATOM 654 CG1 ILE A 40 -3.899 7.521 -8.749 1.00 53.22 C ATOM 655 CG2 ILE A 40 -2.391 9.507 -8.451 1.00 3.11 C ATOM 656 CD1 ILE A 40 -4.836 6.482 -8.120 1.00 65.24 C ATOM 0 H ILE A 40 -1.893 9.458 -5.930 1.00 12.31 H new ATOM 0 HA ILE A 40 -2.862 6.856 -6.280 1.00 5.54 H new ATOM 0 HB ILE A 40 -3.925 8.864 -7.070 1.00 45.21 H new ATOM 0 HG12 ILE A 40 -4.475 8.158 -9.420 1.00 53.22 H new ATOM 0 HG13 ILE A 40 -3.156 7.006 -9.358 1.00 53.22 H new ATOM 0 HG21 ILE A 40 -3.069 10.067 -9.095 1.00 3.11 H new ATOM 0 HG22 ILE A 40 -1.940 10.183 -7.724 1.00 3.11 H new ATOM 0 HG23 ILE A 40 -1.608 9.052 -9.057 1.00 3.11 H new ATOM 0 HD11 ILE A 40 -5.310 5.896 -8.907 1.00 65.24 H new ATOM 0 HD12 ILE A 40 -4.262 5.821 -7.471 1.00 65.24 H new ATOM 0 HD13 ILE A 40 -5.602 6.990 -7.535 1.00 65.24 H new ATOM 668 N GLY A 41 -1.274 5.480 -7.522 1.00 14.23 N ATOM 669 CA GLY A 41 -0.332 4.609 -8.210 1.00 52.11 C ATOM 670 C GLY A 41 1.125 4.853 -7.821 1.00 60.51 C ATOM 671 O GLY A 41 1.988 4.572 -8.640 1.00 44.11 O ATOM 0 H GLY A 41 -2.005 4.982 -7.015 1.00 14.23 H new ATOM 0 HA2 GLY A 41 -0.587 3.571 -7.996 1.00 52.11 H new ATOM 0 HA3 GLY A 41 -0.440 4.749 -9.286 1.00 52.11 H new ATOM 675 N ILE A 42 1.412 5.251 -6.573 1.00 51.05 N ATOM 676 CA ILE A 42 2.745 5.540 -6.041 1.00 40.14 C ATOM 677 C ILE A 42 3.745 4.421 -6.323 1.00 23.43 C ATOM 678 O ILE A 42 4.941 4.690 -6.346 1.00 60.12 O ATOM 679 CB ILE A 42 2.654 5.841 -4.528 1.00 51.11 C ATOM 680 CG1 ILE A 42 3.995 6.395 -4.005 1.00 45.34 C ATOM 681 CG2 ILE A 42 2.170 4.608 -3.729 1.00 55.51 C ATOM 682 CD1 ILE A 42 3.890 6.999 -2.606 1.00 3.20 C ATOM 0 H ILE A 42 0.681 5.386 -5.875 1.00 51.05 H new ATOM 0 HA ILE A 42 3.122 6.422 -6.558 1.00 40.14 H new ATOM 0 HB ILE A 42 1.901 6.615 -4.377 1.00 51.11 H new ATOM 0 HG12 ILE A 42 4.733 5.593 -3.993 1.00 45.34 H new ATOM 0 HG13 ILE A 42 4.361 7.155 -4.696 1.00 45.34 H new ATOM 0 HG21 ILE A 42 2.119 4.858 -2.669 1.00 55.51 H new ATOM 0 HG22 ILE A 42 1.182 4.312 -4.080 1.00 55.51 H new ATOM 0 HG23 ILE A 42 2.868 3.784 -3.874 1.00 55.51 H new ATOM 0 HD11 ILE A 42 4.867 7.371 -2.296 1.00 3.20 H new ATOM 0 HD12 ILE A 42 3.176 7.822 -2.618 1.00 3.20 H new ATOM 0 HD13 ILE A 42 3.553 6.236 -1.905 1.00 3.20 H new ATOM 694 N PHE A 43 3.287 3.171 -6.495 1.00 1.33 N ATOM 695 CA PHE A 43 4.177 2.067 -6.802 1.00 3.22 C ATOM 696 C PHE A 43 4.994 2.434 -8.039 1.00 12.51 C ATOM 697 O PHE A 43 6.147 2.050 -8.102 1.00 75.51 O ATOM 698 CB PHE A 43 3.389 0.768 -7.073 1.00 22.12 C ATOM 699 CG PHE A 43 3.986 -0.106 -8.174 1.00 51.24 C ATOM 700 CD1 PHE A 43 3.654 0.155 -9.517 1.00 42.32 C ATOM 701 CD2 PHE A 43 4.932 -1.108 -7.885 1.00 55.14 C ATOM 702 CE1 PHE A 43 4.308 -0.522 -10.557 1.00 32.05 C ATOM 703 CE2 PHE A 43 5.583 -1.794 -8.923 1.00 3.01 C ATOM 704 CZ PHE A 43 5.294 -1.479 -10.259 1.00 62.03 C ATOM 0 H PHE A 43 2.303 2.911 -6.424 1.00 1.33 H new ATOM 0 HA PHE A 43 4.828 1.891 -5.946 1.00 3.22 H new ATOM 0 HB2 PHE A 43 3.338 0.188 -6.151 1.00 22.12 H new ATOM 0 HB3 PHE A 43 2.365 1.027 -7.344 1.00 22.12 H new ATOM 0 HD1 PHE A 43 2.890 0.882 -9.748 1.00 42.32 H new ATOM 0 HD2 PHE A 43 5.159 -1.351 -6.857 1.00 55.14 H new ATOM 0 HE1 PHE A 43 4.055 -0.308 -11.585 1.00 32.05 H new ATOM 0 HE2 PHE A 43 6.305 -2.563 -8.693 1.00 3.01 H new ATOM 0 HZ PHE A 43 5.828 -1.971 -11.058 1.00 62.03 H new ATOM 714 N ASP A 44 4.420 3.154 -9.006 1.00 55.51 N ATOM 715 CA ASP A 44 5.119 3.514 -10.238 1.00 31.20 C ATOM 716 C ASP A 44 6.286 4.472 -10.008 1.00 2.41 C ATOM 717 O ASP A 44 7.259 4.486 -10.760 1.00 22.13 O ATOM 718 CB ASP A 44 4.124 4.108 -11.238 1.00 23.25 C ATOM 719 CG ASP A 44 4.403 3.589 -12.638 1.00 11.23 C ATOM 720 OD1 ASP A 44 3.878 2.501 -12.971 1.00 43.24 O ATOM 721 OD2 ASP A 44 5.126 4.255 -13.417 1.00 74.01 O ATOM 0 H ASP A 44 3.462 3.501 -8.956 1.00 55.51 H new ATOM 0 HA ASP A 44 5.552 2.599 -10.643 1.00 31.20 H new ATOM 0 HB2 ASP A 44 3.106 3.850 -10.944 1.00 23.25 H new ATOM 0 HB3 ASP A 44 4.193 5.196 -11.226 1.00 23.25 H new ATOM 726 N ASP A 45 6.172 5.316 -8.991 1.00 64.03 N ATOM 727 CA ASP A 45 7.180 6.296 -8.600 1.00 14.23 C ATOM 728 C ASP A 45 8.302 5.597 -7.828 1.00 21.14 C ATOM 729 O ASP A 45 9.494 5.797 -8.067 1.00 11.24 O ATOM 730 CB ASP A 45 6.542 7.363 -7.690 1.00 45.52 C ATOM 731 CG ASP A 45 5.643 8.352 -8.414 1.00 3.13 C ATOM 732 OD1 ASP A 45 5.899 9.577 -8.404 1.00 30.32 O ATOM 733 OD2 ASP A 45 4.606 7.919 -8.949 1.00 71.11 O ATOM 0 H ASP A 45 5.346 5.339 -8.393 1.00 64.03 H new ATOM 0 HA ASP A 45 7.583 6.768 -9.496 1.00 14.23 H new ATOM 0 HB2 ASP A 45 5.961 6.862 -6.916 1.00 45.52 H new ATOM 0 HB3 ASP A 45 7.336 7.914 -7.186 1.00 45.52 H new ATOM 738 N LEU A 46 7.865 4.798 -6.857 1.00 12.14 N ATOM 739 CA LEU A 46 8.587 3.987 -5.887 1.00 40.34 C ATOM 740 C LEU A 46 9.399 2.864 -6.527 1.00 35.54 C ATOM 741 O LEU A 46 10.547 2.639 -6.136 1.00 33.13 O ATOM 742 CB LEU A 46 7.474 3.476 -4.951 1.00 74.15 C ATOM 743 CG LEU A 46 7.718 2.460 -3.825 1.00 33.23 C ATOM 744 CD1 LEU A 46 8.020 1.047 -4.329 1.00 31.55 C ATOM 745 CD2 LEU A 46 8.763 2.898 -2.810 1.00 73.24 C ATOM 0 H LEU A 46 6.860 4.693 -6.717 1.00 12.14 H new ATOM 0 HA LEU A 46 9.350 4.555 -5.355 1.00 40.34 H new ATOM 0 HB2 LEU A 46 7.039 4.358 -4.481 1.00 74.15 H new ATOM 0 HB3 LEU A 46 6.706 3.045 -5.593 1.00 74.15 H new ATOM 0 HG LEU A 46 6.761 2.426 -3.304 1.00 33.23 H new ATOM 0 HD11 LEU A 46 8.181 0.384 -3.479 1.00 31.55 H new ATOM 0 HD12 LEU A 46 7.178 0.683 -4.918 1.00 31.55 H new ATOM 0 HD13 LEU A 46 8.916 1.066 -4.949 1.00 31.55 H new ATOM 0 HD21 LEU A 46 8.876 2.126 -2.049 1.00 73.24 H new ATOM 0 HD22 LEU A 46 9.717 3.054 -3.314 1.00 73.24 H new ATOM 0 HD23 LEU A 46 8.445 3.828 -2.339 1.00 73.24 H new ATOM 757 N ILE A 47 8.825 2.149 -7.495 1.00 71.42 N ATOM 758 CA ILE A 47 9.476 1.031 -8.181 1.00 15.40 C ATOM 759 C ILE A 47 10.750 1.498 -8.860 1.00 13.10 C ATOM 760 O ILE A 47 11.734 0.766 -8.879 1.00 33.11 O ATOM 761 CB ILE A 47 8.520 0.358 -9.197 1.00 50.13 C ATOM 762 CG1 ILE A 47 9.054 -1.012 -9.677 1.00 21.45 C ATOM 763 CG2 ILE A 47 8.153 1.262 -10.390 1.00 52.44 C ATOM 764 CD1 ILE A 47 9.933 -0.980 -10.934 1.00 64.03 C ATOM 0 H ILE A 47 7.879 2.333 -7.830 1.00 71.42 H new ATOM 0 HA ILE A 47 9.737 0.282 -7.434 1.00 15.40 H new ATOM 0 HB ILE A 47 7.594 0.185 -8.649 1.00 50.13 H new ATOM 0 HG12 ILE A 47 9.627 -1.462 -8.866 1.00 21.45 H new ATOM 0 HG13 ILE A 47 8.203 -1.666 -9.867 1.00 21.45 H new ATOM 0 HG21 ILE A 47 7.481 0.725 -11.060 1.00 52.44 H new ATOM 0 HG22 ILE A 47 7.659 2.163 -10.026 1.00 52.44 H new ATOM 0 HG23 ILE A 47 9.059 1.538 -10.929 1.00 52.44 H new ATOM 0 HD11 ILE A 47 10.252 -1.993 -11.181 1.00 64.03 H new ATOM 0 HD12 ILE A 47 9.363 -0.566 -11.766 1.00 64.03 H new ATOM 0 HD13 ILE A 47 10.809 -0.359 -10.749 1.00 64.03 H new ATOM 776 N ASP A 48 10.757 2.740 -9.342 1.00 64.22 N ATOM 777 CA ASP A 48 11.895 3.310 -10.040 1.00 35.55 C ATOM 778 C ASP A 48 13.149 3.248 -9.168 1.00 65.15 C ATOM 779 O ASP A 48 14.264 3.142 -9.675 1.00 71.52 O ATOM 780 CB ASP A 48 11.555 4.747 -10.444 1.00 45.33 C ATOM 781 CG ASP A 48 12.138 5.104 -11.804 1.00 4.44 C ATOM 782 OD1 ASP A 48 13.159 5.820 -11.861 1.00 2.21 O ATOM 783 OD2 ASP A 48 11.546 4.690 -12.831 1.00 72.55 O ATOM 0 H ASP A 48 9.966 3.378 -9.256 1.00 64.22 H new ATOM 0 HA ASP A 48 12.107 2.732 -10.940 1.00 35.55 H new ATOM 0 HB2 ASP A 48 10.472 4.871 -10.468 1.00 45.33 H new ATOM 0 HB3 ASP A 48 11.938 5.437 -9.692 1.00 45.33 H new ATOM 788 N PHE A 49 12.967 3.339 -7.849 1.00 5.11 N ATOM 789 CA PHE A 49 14.047 3.266 -6.878 1.00 73.41 C ATOM 790 C PHE A 49 14.512 1.816 -6.694 1.00 21.45 C ATOM 791 O PHE A 49 15.697 1.585 -6.493 1.00 22.33 O ATOM 792 CB PHE A 49 13.602 3.862 -5.552 1.00 25.30 C ATOM 793 CG PHE A 49 14.752 4.372 -4.710 1.00 21.25 C ATOM 794 CD1 PHE A 49 15.012 5.754 -4.657 1.00 61.44 C ATOM 795 CD2 PHE A 49 15.560 3.481 -3.978 1.00 31.42 C ATOM 796 CE1 PHE A 49 16.059 6.245 -3.860 1.00 74.11 C ATOM 797 CE2 PHE A 49 16.602 3.974 -3.176 1.00 51.25 C ATOM 798 CZ PHE A 49 16.842 5.358 -3.105 1.00 0.01 C ATOM 0 H PHE A 49 12.048 3.467 -7.425 1.00 5.11 H new ATOM 0 HA PHE A 49 14.891 3.846 -7.252 1.00 73.41 H new ATOM 0 HB2 PHE A 49 12.910 4.682 -5.744 1.00 25.30 H new ATOM 0 HB3 PHE A 49 13.054 3.107 -4.988 1.00 25.30 H new ATOM 0 HD1 PHE A 49 14.405 6.439 -5.231 1.00 61.44 H new ATOM 0 HD2 PHE A 49 15.378 2.418 -4.033 1.00 31.42 H new ATOM 0 HE1 PHE A 49 16.262 7.305 -3.828 1.00 74.11 H new ATOM 0 HE2 PHE A 49 17.220 3.290 -2.613 1.00 51.25 H new ATOM 0 HZ PHE A 49 17.628 5.738 -2.470 1.00 0.01 H new ATOM 808 N TYR A 50 13.602 0.832 -6.716 1.00 11.15 N ATOM 809 CA TYR A 50 13.921 -0.596 -6.575 1.00 22.20 C ATOM 810 C TYR A 50 14.878 -1.007 -7.704 1.00 24.33 C ATOM 811 O TYR A 50 15.683 -1.911 -7.514 1.00 32.45 O ATOM 812 CB TYR A 50 12.645 -1.472 -6.514 1.00 12.01 C ATOM 813 CG TYR A 50 12.664 -2.706 -7.402 1.00 71.33 C ATOM 814 CD1 TYR A 50 13.064 -3.966 -6.922 1.00 4.25 C ATOM 815 CD2 TYR A 50 12.327 -2.570 -8.756 1.00 53.02 C ATOM 816 CE1 TYR A 50 13.160 -5.060 -7.804 1.00 24.45 C ATOM 817 CE2 TYR A 50 12.469 -3.640 -9.652 1.00 52.25 C ATOM 818 CZ TYR A 50 12.909 -4.896 -9.186 1.00 4.45 C ATOM 819 OH TYR A 50 13.046 -5.933 -10.057 1.00 14.32 O ATOM 0 H TYR A 50 12.605 1.010 -6.835 1.00 11.15 H new ATOM 0 HA TYR A 50 14.424 -0.762 -5.622 1.00 22.20 H new ATOM 0 HB2 TYR A 50 12.490 -1.789 -5.483 1.00 12.01 H new ATOM 0 HB3 TYR A 50 11.788 -0.858 -6.791 1.00 12.01 H new ATOM 0 HD1 TYR A 50 13.298 -4.095 -5.876 1.00 4.25 H new ATOM 0 HD2 TYR A 50 11.951 -1.624 -9.116 1.00 53.02 H new ATOM 0 HE1 TYR A 50 13.428 -6.034 -7.421 1.00 24.45 H new ATOM 0 HE2 TYR A 50 12.241 -3.502 -10.699 1.00 52.25 H new ATOM 0 HH TYR A 50 12.829 -5.630 -10.963 1.00 14.32 H new ATOM 829 N GLU A 51 14.791 -0.353 -8.864 1.00 20.11 N ATOM 830 CA GLU A 51 15.636 -0.620 -10.024 1.00 2.35 C ATOM 831 C GLU A 51 17.071 -0.096 -9.792 1.00 11.11 C ATOM 832 O GLU A 51 17.939 -0.331 -10.632 1.00 3.05 O ATOM 833 CB GLU A 51 15.009 0.007 -11.287 1.00 62.14 C ATOM 834 CG GLU A 51 13.602 -0.534 -11.593 1.00 54.14 C ATOM 835 CD GLU A 51 13.510 -1.564 -12.720 1.00 61.33 C ATOM 836 OE1 GLU A 51 12.786 -1.305 -13.709 1.00 20.13 O ATOM 837 OE2 GLU A 51 14.075 -2.676 -12.614 1.00 3.31 O ATOM 0 H GLU A 51 14.115 0.394 -9.024 1.00 20.11 H new ATOM 0 HA GLU A 51 15.702 -1.698 -10.171 1.00 2.35 H new ATOM 0 HB2 GLU A 51 14.957 1.088 -11.161 1.00 62.14 H new ATOM 0 HB3 GLU A 51 15.659 -0.183 -12.141 1.00 62.14 H new ATOM 0 HG2 GLU A 51 13.201 -0.983 -10.684 1.00 54.14 H new ATOM 0 HG3 GLU A 51 12.957 0.308 -11.844 1.00 54.14 H new ATOM 844 N ARG A 52 17.337 0.666 -8.717 1.00 21.10 N ATOM 845 CA ARG A 52 18.674 1.197 -8.417 1.00 53.42 C ATOM 846 C ARG A 52 19.555 0.152 -7.734 1.00 61.23 C ATOM 847 O ARG A 52 20.782 0.227 -7.843 1.00 22.43 O ATOM 848 CB ARG A 52 18.578 2.375 -7.432 1.00 73.22 C ATOM 849 CG ARG A 52 17.714 3.569 -7.861 1.00 15.41 C ATOM 850 CD ARG A 52 18.441 4.515 -8.818 1.00 63.31 C ATOM 851 NE ARG A 52 18.059 5.912 -8.557 1.00 62.34 N ATOM 852 CZ ARG A 52 18.764 6.987 -8.915 1.00 13.40 C ATOM 853 NH1 ARG A 52 19.815 6.865 -9.717 1.00 72.44 N ATOM 854 NH2 ARG A 52 18.417 8.179 -8.461 1.00 13.01 N ATOM 0 H ARG A 52 16.629 0.930 -8.032 1.00 21.10 H new ATOM 0 HA ARG A 52 19.102 1.500 -9.373 1.00 53.42 H new ATOM 0 HB2 ARG A 52 18.189 1.996 -6.487 1.00 73.22 H new ATOM 0 HB3 ARG A 52 19.587 2.738 -7.238 1.00 73.22 H new ATOM 0 HG2 ARG A 52 16.807 3.201 -8.341 1.00 15.41 H new ATOM 0 HG3 ARG A 52 17.404 4.124 -6.975 1.00 15.41 H new ATOM 0 HD2 ARG A 52 19.519 4.400 -8.703 1.00 63.31 H new ATOM 0 HD3 ARG A 52 18.201 4.253 -9.849 1.00 63.31 H new ATOM 0 HE ARG A 52 17.182 6.072 -8.061 1.00 62.34 H new ATOM 0 HH11 ARG A 52 20.088 5.945 -10.064 1.00 72.44 H new ATOM 0 HH12 ARG A 52 20.349 7.691 -9.987 1.00 72.44 H new ATOM 0 HH21 ARG A 52 17.614 8.274 -7.840 1.00 13.01 H new ATOM 0 HH22 ARG A 52 18.953 9.004 -8.732 1.00 13.01 H new ATOM 868 N LEU A 53 18.956 -0.818 -7.033 1.00 24.15 N ATOM 869 CA LEU A 53 19.589 -1.890 -6.321 1.00 63.52 C ATOM 870 C LEU A 53 20.586 -2.622 -7.195 1.00 62.44 C ATOM 871 O LEU A 53 20.350 -2.879 -8.374 1.00 52.30 O ATOM 872 CB LEU A 53 18.466 -2.831 -5.898 1.00 45.33 C ATOM 873 CG LEU A 53 17.645 -2.256 -4.735 1.00 31.15 C ATOM 874 CD1 LEU A 53 17.089 -0.828 -4.770 1.00 71.24 C ATOM 875 CD2 LEU A 53 16.577 -3.271 -4.323 1.00 74.45 C ATOM 0 H LEU A 53 17.940 -0.860 -6.955 1.00 24.15 H new ATOM 0 HA LEU A 53 20.147 -1.511 -5.465 1.00 63.52 H new ATOM 0 HB2 LEU A 53 17.810 -3.018 -6.748 1.00 45.33 H new ATOM 0 HB3 LEU A 53 18.889 -3.792 -5.604 1.00 45.33 H new ATOM 0 HG LEU A 53 18.419 -2.100 -3.983 1.00 31.15 H new ATOM 0 HD11 LEU A 53 16.541 -0.628 -3.849 1.00 71.24 H new ATOM 0 HD12 LEU A 53 17.912 -0.119 -4.864 1.00 71.24 H new ATOM 0 HD13 LEU A 53 16.418 -0.720 -5.622 1.00 71.24 H new ATOM 0 HD21 LEU A 53 15.991 -2.868 -3.497 1.00 74.45 H new ATOM 0 HD22 LEU A 53 15.921 -3.472 -5.170 1.00 74.45 H new ATOM 0 HD23 LEU A 53 17.058 -4.197 -4.008 1.00 74.45 H new ATOM 887 N ASP A 54 21.713 -2.958 -6.587 1.00 12.32 N ATOM 888 CA ASP A 54 22.786 -3.676 -7.260 1.00 62.32 C ATOM 889 C ASP A 54 22.352 -5.111 -7.561 1.00 50.42 C ATOM 890 O ASP A 54 22.758 -5.695 -8.565 1.00 64.42 O ATOM 891 CB ASP A 54 24.033 -3.689 -6.379 1.00 3.03 C ATOM 892 CG ASP A 54 25.052 -4.680 -6.930 1.00 40.24 C ATOM 893 OD1 ASP A 54 25.620 -4.422 -8.017 1.00 43.44 O ATOM 894 OD2 ASP A 54 25.251 -5.735 -6.287 1.00 14.20 O ATOM 0 H ASP A 54 21.911 -2.740 -5.610 1.00 12.32 H new ATOM 0 HA ASP A 54 23.013 -3.170 -8.198 1.00 62.32 H new ATOM 0 HB2 ASP A 54 24.470 -2.691 -6.338 1.00 3.03 H new ATOM 0 HB3 ASP A 54 23.764 -3.961 -5.358 1.00 3.03 H new ATOM 899 N THR A 55 21.542 -5.692 -6.684 1.00 72.34 N ATOM 900 CA THR A 55 21.018 -7.036 -6.804 1.00 33.24 C ATOM 901 C THR A 55 19.561 -6.998 -6.335 1.00 3.55 C ATOM 902 O THR A 55 19.321 -7.127 -5.133 1.00 24.41 O ATOM 903 CB THR A 55 21.886 -8.011 -5.983 1.00 11.32 C ATOM 904 OG1 THR A 55 23.268 -7.905 -6.299 1.00 10.03 O ATOM 905 CG2 THR A 55 21.463 -9.460 -6.238 1.00 61.43 C ATOM 0 H THR A 55 21.223 -5.217 -5.840 1.00 72.34 H new ATOM 0 HA THR A 55 21.048 -7.394 -7.833 1.00 33.24 H new ATOM 0 HB THR A 55 21.735 -7.739 -4.938 1.00 11.32 H new ATOM 0 HG1 THR A 55 23.592 -7.013 -6.056 1.00 10.03 H new ATOM 0 HG21 THR A 55 22.088 -10.131 -5.649 1.00 61.43 H new ATOM 0 HG22 THR A 55 20.420 -9.590 -5.950 1.00 61.43 H new ATOM 0 HG23 THR A 55 21.579 -9.692 -7.297 1.00 61.43 H new ATOM 913 N PRO A 56 18.588 -6.765 -7.231 1.00 22.44 N ATOM 914 CA PRO A 56 17.177 -6.739 -6.875 1.00 70.40 C ATOM 915 C PRO A 56 16.759 -8.187 -6.541 1.00 71.23 C ATOM 916 O PRO A 56 16.743 -9.025 -7.447 1.00 63.13 O ATOM 917 CB PRO A 56 16.471 -6.189 -8.115 1.00 75.21 C ATOM 918 CG PRO A 56 17.381 -6.555 -9.283 1.00 22.12 C ATOM 919 CD PRO A 56 18.773 -6.576 -8.664 1.00 12.04 C ATOM 0 HA PRO A 56 16.932 -6.124 -6.009 1.00 70.40 H new ATOM 0 HB2 PRO A 56 15.481 -6.629 -8.233 1.00 75.21 H new ATOM 0 HB3 PRO A 56 16.334 -5.110 -8.045 1.00 75.21 H new ATOM 0 HG2 PRO A 56 17.117 -7.523 -9.708 1.00 22.12 H new ATOM 0 HG3 PRO A 56 17.312 -5.824 -10.089 1.00 22.12 H new ATOM 0 HD2 PRO A 56 19.373 -7.382 -9.087 1.00 12.04 H new ATOM 0 HD3 PRO A 56 19.302 -5.645 -8.867 1.00 12.04 H new ATOM 927 N PRO A 57 16.410 -8.538 -5.290 1.00 15.22 N ATOM 928 CA PRO A 57 16.046 -9.914 -4.967 1.00 43.42 C ATOM 929 C PRO A 57 14.666 -10.353 -5.468 1.00 64.14 C ATOM 930 O PRO A 57 14.505 -11.514 -5.850 1.00 73.13 O ATOM 931 CB PRO A 57 16.118 -9.997 -3.439 1.00 71.14 C ATOM 932 CG PRO A 57 15.842 -8.569 -2.971 1.00 62.10 C ATOM 933 CD PRO A 57 16.373 -7.692 -4.102 1.00 70.52 C ATOM 0 HA PRO A 57 16.729 -10.595 -5.475 1.00 43.42 H new ATOM 0 HB2 PRO A 57 15.380 -10.695 -3.043 1.00 71.14 H new ATOM 0 HB3 PRO A 57 17.096 -10.343 -3.105 1.00 71.14 H new ATOM 0 HG2 PRO A 57 14.777 -8.403 -2.806 1.00 62.10 H new ATOM 0 HG3 PRO A 57 16.348 -8.354 -2.030 1.00 62.10 H new ATOM 0 HD2 PRO A 57 15.728 -6.827 -4.260 1.00 70.52 H new ATOM 0 HD3 PRO A 57 17.366 -7.310 -3.865 1.00 70.52 H new ATOM 941 N PHE A 58 13.671 -9.464 -5.406 1.00 70.11 N ATOM 942 CA PHE A 58 12.292 -9.719 -5.807 1.00 13.02 C ATOM 943 C PHE A 58 11.953 -9.154 -7.187 1.00 42.33 C ATOM 944 O PHE A 58 12.734 -8.416 -7.773 1.00 53.03 O ATOM 945 CB PHE A 58 11.380 -9.142 -4.719 1.00 52.45 C ATOM 946 CG PHE A 58 11.584 -9.772 -3.359 1.00 11.12 C ATOM 947 CD1 PHE A 58 11.090 -11.064 -3.119 1.00 11.14 C ATOM 948 CD2 PHE A 58 12.250 -9.072 -2.332 1.00 60.04 C ATOM 949 CE1 PHE A 58 11.235 -11.636 -1.849 1.00 14.15 C ATOM 950 CE2 PHE A 58 12.397 -9.654 -1.060 1.00 54.54 C ATOM 951 CZ PHE A 58 11.864 -10.929 -0.811 1.00 54.54 C ATOM 0 H PHE A 58 13.813 -8.514 -5.062 1.00 70.11 H new ATOM 0 HA PHE A 58 12.142 -10.794 -5.903 1.00 13.02 H new ATOM 0 HB2 PHE A 58 11.554 -8.069 -4.642 1.00 52.45 H new ATOM 0 HB3 PHE A 58 10.341 -9.276 -5.020 1.00 52.45 H new ATOM 0 HD1 PHE A 58 10.601 -11.614 -3.909 1.00 11.14 H new ATOM 0 HD2 PHE A 58 12.648 -8.086 -2.523 1.00 60.04 H new ATOM 0 HE1 PHE A 58 10.859 -12.632 -1.666 1.00 14.15 H new ATOM 0 HE2 PHE A 58 12.918 -9.122 -0.278 1.00 54.54 H new ATOM 0 HZ PHE A 58 11.937 -11.364 0.175 1.00 54.54 H new ATOM 961 N SER A 59 10.824 -9.585 -7.756 1.00 31.22 N ATOM 962 CA SER A 59 10.310 -9.148 -9.050 1.00 62.13 C ATOM 963 C SER A 59 9.380 -7.939 -8.876 1.00 33.42 C ATOM 964 O SER A 59 8.834 -7.689 -7.794 1.00 30.14 O ATOM 965 CB SER A 59 9.594 -10.344 -9.713 1.00 73.05 C ATOM 966 OG SER A 59 8.682 -9.992 -10.741 1.00 24.32 O ATOM 0 H SER A 59 10.222 -10.275 -7.307 1.00 31.22 H new ATOM 0 HA SER A 59 11.124 -8.823 -9.698 1.00 62.13 H new ATOM 0 HB2 SER A 59 10.346 -11.016 -10.127 1.00 73.05 H new ATOM 0 HB3 SER A 59 9.057 -10.900 -8.945 1.00 73.05 H new ATOM 0 HG SER A 59 8.274 -10.804 -11.109 1.00 24.32 H new ATOM 972 N LYS A 60 9.152 -7.196 -9.967 1.00 53.13 N ATOM 973 CA LYS A 60 8.244 -6.038 -10.016 1.00 13.02 C ATOM 974 C LYS A 60 6.828 -6.545 -9.735 1.00 54.54 C ATOM 975 O LYS A 60 5.995 -5.803 -9.205 1.00 14.14 O ATOM 976 CB LYS A 60 8.309 -5.374 -11.404 1.00 31.51 C ATOM 977 CG LYS A 60 9.701 -4.812 -11.729 1.00 12.10 C ATOM 978 CD LYS A 60 9.871 -4.410 -13.203 1.00 2.12 C ATOM 979 CE LYS A 60 9.067 -3.169 -13.601 1.00 74.25 C ATOM 980 NZ LYS A 60 9.165 -2.884 -15.047 1.00 30.21 N ATOM 0 H LYS A 60 9.603 -7.386 -10.862 1.00 53.13 H new ATOM 0 HA LYS A 60 8.533 -5.294 -9.274 1.00 13.02 H new ATOM 0 HB2 LYS A 60 8.030 -6.103 -12.164 1.00 31.51 H new ATOM 0 HB3 LYS A 60 7.577 -4.568 -11.451 1.00 31.51 H new ATOM 0 HG2 LYS A 60 9.889 -3.942 -11.099 1.00 12.10 H new ATOM 0 HG3 LYS A 60 10.454 -5.558 -11.475 1.00 12.10 H new ATOM 0 HD2 LYS A 60 10.927 -4.226 -13.400 1.00 2.12 H new ATOM 0 HD3 LYS A 60 9.569 -5.245 -13.835 1.00 2.12 H new ATOM 0 HE2 LYS A 60 8.021 -3.313 -13.330 1.00 74.25 H new ATOM 0 HE3 LYS A 60 9.427 -2.308 -13.037 1.00 74.25 H new ATOM 0 HZ1 LYS A 60 8.606 -2.036 -15.272 1.00 30.21 H new ATOM 0 HZ2 LYS A 60 10.160 -2.721 -15.302 1.00 30.21 H new ATOM 0 HZ3 LYS A 60 8.798 -3.694 -15.586 1.00 30.21 H new ATOM 994 N LYS A 61 6.534 -7.794 -10.120 1.00 33.15 N ATOM 995 CA LYS A 61 5.243 -8.431 -9.893 1.00 5.21 C ATOM 996 C LYS A 61 5.050 -8.552 -8.391 1.00 4.35 C ATOM 997 O LYS A 61 4.086 -8.002 -7.871 1.00 35.44 O ATOM 998 CB LYS A 61 5.232 -9.813 -10.564 1.00 32.13 C ATOM 999 CG LYS A 61 3.893 -10.559 -10.428 1.00 33.32 C ATOM 1000 CD LYS A 61 2.810 -10.087 -11.406 1.00 72.24 C ATOM 1001 CE LYS A 61 3.141 -10.555 -12.831 1.00 35.41 C ATOM 1002 NZ LYS A 61 1.987 -10.435 -13.742 1.00 50.40 N ATOM 0 H LYS A 61 7.201 -8.394 -10.605 1.00 33.15 H new ATOM 0 HA LYS A 61 4.430 -7.845 -10.321 1.00 5.21 H new ATOM 0 HB2 LYS A 61 5.465 -9.695 -11.622 1.00 32.13 H new ATOM 0 HB3 LYS A 61 6.023 -10.424 -10.129 1.00 32.13 H new ATOM 0 HG2 LYS A 61 4.066 -11.624 -10.581 1.00 33.32 H new ATOM 0 HG3 LYS A 61 3.524 -10.439 -9.409 1.00 33.32 H new ATOM 0 HD2 LYS A 61 1.840 -10.480 -11.103 1.00 72.24 H new ATOM 0 HD3 LYS A 61 2.736 -9.000 -11.381 1.00 72.24 H new ATOM 0 HE2 LYS A 61 3.971 -9.966 -13.221 1.00 35.41 H new ATOM 0 HE3 LYS A 61 3.472 -11.593 -12.802 1.00 35.41 H new ATOM 0 HZ1 LYS A 61 2.258 -10.762 -14.691 1.00 50.40 H new ATOM 0 HZ2 LYS A 61 1.202 -11.017 -13.386 1.00 50.40 H new ATOM 0 HZ3 LYS A 61 1.686 -9.441 -13.792 1.00 50.40 H new ATOM 1016 N SER A 62 6.011 -9.163 -7.696 1.00 54.32 N ATOM 1017 CA SER A 62 5.970 -9.374 -6.262 1.00 51.12 C ATOM 1018 C SER A 62 5.758 -8.067 -5.510 1.00 5.31 C ATOM 1019 O SER A 62 4.877 -7.999 -4.659 1.00 3.45 O ATOM 1020 CB SER A 62 7.257 -10.085 -5.808 1.00 55.51 C ATOM 1021 OG SER A 62 7.720 -10.990 -6.799 1.00 11.42 O ATOM 0 H SER A 62 6.856 -9.531 -8.132 1.00 54.32 H new ATOM 0 HA SER A 62 5.117 -10.011 -6.027 1.00 51.12 H new ATOM 0 HB2 SER A 62 8.030 -9.345 -5.598 1.00 55.51 H new ATOM 0 HB3 SER A 62 7.070 -10.623 -4.879 1.00 55.51 H new ATOM 0 HG SER A 62 8.539 -11.427 -6.486 1.00 11.42 H new ATOM 1027 N LEU A 63 6.515 -7.018 -5.857 1.00 32.02 N ATOM 1028 CA LEU A 63 6.399 -5.727 -5.190 1.00 0.15 C ATOM 1029 C LEU A 63 4.988 -5.153 -5.337 1.00 25.52 C ATOM 1030 O LEU A 63 4.352 -4.872 -4.324 1.00 71.33 O ATOM 1031 CB LEU A 63 7.514 -4.783 -5.681 1.00 23.00 C ATOM 1032 CG LEU A 63 7.771 -3.576 -4.751 1.00 35.33 C ATOM 1033 CD1 LEU A 63 9.220 -3.069 -4.827 1.00 41.13 C ATOM 1034 CD2 LEU A 63 6.882 -2.391 -5.118 1.00 24.35 C ATOM 0 H LEU A 63 7.215 -7.045 -6.599 1.00 32.02 H new ATOM 0 HA LEU A 63 6.545 -5.852 -4.117 1.00 0.15 H new ATOM 0 HB2 LEU A 63 8.438 -5.352 -5.785 1.00 23.00 H new ATOM 0 HB3 LEU A 63 7.253 -4.415 -6.673 1.00 23.00 H new ATOM 0 HG LEU A 63 7.553 -3.942 -3.748 1.00 35.33 H new ATOM 0 HD11 LEU A 63 9.344 -2.221 -4.154 1.00 41.13 H new ATOM 0 HD12 LEU A 63 9.901 -3.868 -4.534 1.00 41.13 H new ATOM 0 HD13 LEU A 63 9.444 -2.758 -5.848 1.00 41.13 H new ATOM 0 HD21 LEU A 63 7.088 -1.559 -4.444 1.00 24.35 H new ATOM 0 HD22 LEU A 63 7.087 -2.086 -6.144 1.00 24.35 H new ATOM 0 HD23 LEU A 63 5.835 -2.680 -5.028 1.00 24.35 H new ATOM 1046 N ARG A 64 4.457 -5.026 -6.559 1.00 60.10 N ATOM 1047 CA ARG A 64 3.114 -4.470 -6.773 1.00 4.50 C ATOM 1048 C ARG A 64 2.007 -5.358 -6.206 1.00 43.13 C ATOM 1049 O ARG A 64 0.998 -4.833 -5.729 1.00 4.34 O ATOM 1050 CB ARG A 64 2.909 -4.221 -8.278 1.00 5.54 C ATOM 1051 CG ARG A 64 1.610 -3.500 -8.682 1.00 33.33 C ATOM 1052 CD ARG A 64 1.358 -2.143 -8.004 1.00 43.22 C ATOM 1053 NE ARG A 64 0.850 -1.123 -8.947 1.00 60.13 N ATOM 1054 CZ ARG A 64 0.147 -0.020 -8.653 1.00 52.40 C ATOM 1055 NH1 ARG A 64 -0.338 0.190 -7.437 1.00 74.21 N ATOM 1056 NH2 ARG A 64 -0.073 0.906 -9.579 1.00 11.44 N ATOM 0 H ARG A 64 4.937 -5.301 -7.416 1.00 60.10 H new ATOM 0 HA ARG A 64 3.047 -3.528 -6.229 1.00 4.50 H new ATOM 0 HB2 ARG A 64 3.753 -3.637 -8.646 1.00 5.54 H new ATOM 0 HB3 ARG A 64 2.940 -5.182 -8.791 1.00 5.54 H new ATOM 0 HG2 ARG A 64 1.622 -3.349 -9.761 1.00 33.33 H new ATOM 0 HG3 ARG A 64 0.769 -4.157 -8.461 1.00 33.33 H new ATOM 0 HD2 ARG A 64 0.640 -2.273 -7.194 1.00 43.22 H new ATOM 0 HD3 ARG A 64 2.285 -1.788 -7.555 1.00 43.22 H new ATOM 0 HE ARG A 64 1.058 -1.276 -9.934 1.00 60.13 H new ATOM 0 HH11 ARG A 64 -0.179 -0.496 -6.699 1.00 74.21 H new ATOM 0 HH12 ARG A 64 -0.870 1.038 -7.239 1.00 74.21 H new ATOM 0 HH21 ARG A 64 0.294 0.781 -10.522 1.00 11.44 H new ATOM 0 HH22 ARG A 64 -0.609 1.742 -9.347 1.00 11.44 H new ATOM 1070 N GLU A 65 2.160 -6.680 -6.250 1.00 3.40 N ATOM 1071 CA GLU A 65 1.151 -7.599 -5.740 1.00 64.33 C ATOM 1072 C GLU A 65 1.110 -7.559 -4.217 1.00 22.22 C ATOM 1073 O GLU A 65 0.027 -7.625 -3.631 1.00 44.03 O ATOM 1074 CB GLU A 65 1.453 -9.024 -6.221 1.00 4.41 C ATOM 1075 CG GLU A 65 1.125 -9.213 -7.705 1.00 3.54 C ATOM 1076 CD GLU A 65 -0.353 -9.528 -7.918 1.00 64.52 C ATOM 1077 OE1 GLU A 65 -1.214 -8.626 -7.803 1.00 71.03 O ATOM 1078 OE2 GLU A 65 -0.674 -10.682 -8.275 1.00 50.53 O ATOM 0 H GLU A 65 2.983 -7.140 -6.639 1.00 3.40 H new ATOM 0 HA GLU A 65 0.176 -7.292 -6.119 1.00 64.33 H new ATOM 0 HB2 GLU A 65 2.506 -9.248 -6.052 1.00 4.41 H new ATOM 0 HB3 GLU A 65 0.877 -9.736 -5.629 1.00 4.41 H new ATOM 0 HG2 GLU A 65 1.388 -8.309 -8.254 1.00 3.54 H new ATOM 0 HG3 GLU A 65 1.732 -10.021 -8.112 1.00 3.54 H new ATOM 1085 N ALA A 66 2.268 -7.457 -3.564 1.00 74.55 N ATOM 1086 CA ALA A 66 2.342 -7.402 -2.119 1.00 14.41 C ATOM 1087 C ALA A 66 1.876 -6.039 -1.607 1.00 62.15 C ATOM 1088 O ALA A 66 1.071 -6.004 -0.682 1.00 22.31 O ATOM 1089 CB ALA A 66 3.757 -7.706 -1.660 1.00 21.45 C ATOM 0 H ALA A 66 3.175 -7.411 -4.029 1.00 74.55 H new ATOM 0 HA ALA A 66 1.676 -8.157 -1.702 1.00 14.41 H new ATOM 0 HB1 ALA A 66 3.804 -7.662 -0.572 1.00 21.45 H new ATOM 0 HB2 ALA A 66 4.042 -8.703 -1.996 1.00 21.45 H new ATOM 0 HB3 ALA A 66 4.442 -6.971 -2.082 1.00 21.45 H new ATOM 1095 N LEU A 67 2.310 -4.924 -2.222 1.00 32.21 N ATOM 1096 CA LEU A 67 1.919 -3.571 -1.806 1.00 14.43 C ATOM 1097 C LEU A 67 0.391 -3.462 -1.794 1.00 24.14 C ATOM 1098 O LEU A 67 -0.161 -2.800 -0.917 1.00 43.21 O ATOM 1099 CB LEU A 67 2.560 -2.492 -2.710 1.00 23.32 C ATOM 1100 CG LEU A 67 3.211 -1.326 -1.937 1.00 61.43 C ATOM 1101 CD1 LEU A 67 4.004 -0.435 -2.903 1.00 72.23 C ATOM 1102 CD2 LEU A 67 2.197 -0.458 -1.190 1.00 43.11 C ATOM 0 H LEU A 67 2.942 -4.939 -3.022 1.00 32.21 H new ATOM 0 HA LEU A 67 2.291 -3.392 -0.797 1.00 14.43 H new ATOM 0 HB2 LEU A 67 3.315 -2.963 -3.339 1.00 23.32 H new ATOM 0 HB3 LEU A 67 1.796 -2.090 -3.376 1.00 23.32 H new ATOM 0 HG LEU A 67 3.868 -1.780 -1.195 1.00 61.43 H new ATOM 0 HD11 LEU A 67 4.460 0.386 -2.350 1.00 72.23 H new ATOM 0 HD12 LEU A 67 4.783 -1.025 -3.386 1.00 72.23 H new ATOM 0 HD13 LEU A 67 3.332 -0.032 -3.661 1.00 72.23 H new ATOM 0 HD21 LEU A 67 2.719 0.343 -0.667 1.00 43.11 H new ATOM 0 HD22 LEU A 67 1.492 -0.028 -1.902 1.00 43.11 H new ATOM 0 HD23 LEU A 67 1.656 -1.070 -0.468 1.00 43.11 H new ATOM 1114 N SER A 68 -0.287 -4.187 -2.694 1.00 53.32 N ATOM 1115 CA SER A 68 -1.739 -4.222 -2.795 1.00 25.32 C ATOM 1116 C SER A 68 -2.366 -4.621 -1.457 1.00 62.30 C ATOM 1117 O SER A 68 -3.488 -4.218 -1.173 1.00 21.53 O ATOM 1118 CB SER A 68 -2.148 -5.245 -3.861 1.00 11.51 C ATOM 1119 OG SER A 68 -3.513 -5.119 -4.206 1.00 71.35 O ATOM 0 H SER A 68 0.177 -4.777 -3.385 1.00 53.32 H new ATOM 0 HA SER A 68 -2.092 -3.228 -3.068 1.00 25.32 H new ATOM 0 HB2 SER A 68 -1.533 -5.110 -4.751 1.00 11.51 H new ATOM 0 HB3 SER A 68 -1.957 -6.253 -3.492 1.00 11.51 H new ATOM 0 HG SER A 68 -3.741 -5.784 -4.889 1.00 71.35 H new ATOM 1125 N TYR A 69 -1.710 -5.467 -0.659 1.00 4.43 N ATOM 1126 CA TYR A 69 -2.238 -5.881 0.629 1.00 21.44 C ATOM 1127 C TYR A 69 -2.210 -4.729 1.623 1.00 3.03 C ATOM 1128 O TYR A 69 -3.062 -4.701 2.504 1.00 13.14 O ATOM 1129 CB TYR A 69 -1.550 -7.146 1.157 1.00 15.21 C ATOM 1130 CG TYR A 69 -2.416 -8.366 0.926 1.00 12.50 C ATOM 1131 CD1 TYR A 69 -3.111 -8.947 2.003 1.00 51.32 C ATOM 1132 CD2 TYR A 69 -2.601 -8.863 -0.379 1.00 0.11 C ATOM 1133 CE1 TYR A 69 -4.005 -10.006 1.777 1.00 1.31 C ATOM 1134 CE2 TYR A 69 -3.495 -9.924 -0.609 1.00 51.52 C ATOM 1135 CZ TYR A 69 -4.215 -10.489 0.466 1.00 4.24 C ATOM 1136 OH TYR A 69 -5.137 -11.453 0.230 1.00 1.25 O ATOM 0 H TYR A 69 -0.806 -5.878 -0.891 1.00 4.43 H new ATOM 0 HA TYR A 69 -3.284 -6.155 0.490 1.00 21.44 H new ATOM 0 HB2 TYR A 69 -0.589 -7.277 0.659 1.00 15.21 H new ATOM 0 HB3 TYR A 69 -1.345 -7.036 2.222 1.00 15.21 H new ATOM 0 HD1 TYR A 69 -2.956 -8.577 3.006 1.00 51.32 H new ATOM 0 HD2 TYR A 69 -2.056 -8.429 -1.204 1.00 0.11 H new ATOM 0 HE1 TYR A 69 -4.533 -10.452 2.607 1.00 1.31 H new ATOM 0 HE2 TYR A 69 -3.631 -10.307 -1.610 1.00 51.52 H new ATOM 0 HH TYR A 69 -5.151 -11.665 -0.727 1.00 1.25 H new ATOM 1146 N TYR A 70 -1.227 -3.827 1.562 1.00 45.21 N ATOM 1147 CA TYR A 70 -1.167 -2.687 2.472 1.00 62.32 C ATOM 1148 C TYR A 70 -2.278 -1.714 2.079 1.00 53.31 C ATOM 1149 O TYR A 70 -3.052 -1.300 2.941 1.00 61.22 O ATOM 1150 CB TYR A 70 0.216 -2.018 2.466 1.00 54.34 C ATOM 1151 CG TYR A 70 1.133 -2.470 3.593 1.00 44.33 C ATOM 1152 CD1 TYR A 70 1.343 -3.841 3.819 1.00 14.52 C ATOM 1153 CD2 TYR A 70 1.817 -1.533 4.396 1.00 62.12 C ATOM 1154 CE1 TYR A 70 2.284 -4.269 4.768 1.00 52.23 C ATOM 1155 CE2 TYR A 70 2.759 -1.966 5.349 1.00 5.25 C ATOM 1156 CZ TYR A 70 3.039 -3.341 5.513 1.00 14.24 C ATOM 1157 OH TYR A 70 3.912 -3.780 6.468 1.00 63.22 O ATOM 0 H TYR A 70 -0.461 -3.867 0.889 1.00 45.21 H new ATOM 0 HA TYR A 70 -1.320 -3.025 3.497 1.00 62.32 H new ATOM 0 HB2 TYR A 70 0.702 -2.224 1.512 1.00 54.34 H new ATOM 0 HB3 TYR A 70 0.085 -0.938 2.531 1.00 54.34 H new ATOM 0 HD1 TYR A 70 0.776 -4.570 3.259 1.00 14.52 H new ATOM 0 HD2 TYR A 70 1.617 -0.478 4.279 1.00 62.12 H new ATOM 0 HE1 TYR A 70 2.432 -5.326 4.930 1.00 52.23 H new ATOM 0 HE2 TYR A 70 3.273 -1.239 5.961 1.00 5.25 H new ATOM 0 HH TYR A 70 4.755 -4.045 6.044 1.00 63.22 H new ATOM 1167 N SER A 71 -2.412 -1.390 0.792 1.00 14.21 N ATOM 1168 CA SER A 71 -3.446 -0.472 0.324 1.00 2.41 C ATOM 1169 C SER A 71 -4.863 -1.046 0.428 1.00 65.11 C ATOM 1170 O SER A 71 -5.829 -0.284 0.407 1.00 3.52 O ATOM 1171 CB SER A 71 -3.139 -0.028 -1.098 1.00 45.10 C ATOM 1172 OG SER A 71 -2.665 -1.098 -1.890 1.00 10.41 O ATOM 0 H SER A 71 -1.812 -1.754 0.052 1.00 14.21 H new ATOM 0 HA SER A 71 -3.428 0.392 0.988 1.00 2.41 H new ATOM 0 HB2 SER A 71 -4.038 0.389 -1.551 1.00 45.10 H new ATOM 0 HB3 SER A 71 -2.394 0.767 -1.078 1.00 45.10 H new ATOM 0 HG SER A 71 -3.043 -1.940 -1.562 1.00 10.41 H new ATOM 1178 N ALA A 72 -5.006 -2.366 0.546 1.00 32.11 N ATOM 1179 CA ALA A 72 -6.279 -3.064 0.692 1.00 51.52 C ATOM 1180 C ALA A 72 -6.395 -3.621 2.117 1.00 40.23 C ATOM 1181 O ALA A 72 -7.230 -4.490 2.374 1.00 45.52 O ATOM 1182 CB ALA A 72 -6.407 -4.166 -0.362 1.00 54.42 C ATOM 0 H ALA A 72 -4.207 -3.000 0.542 1.00 32.11 H new ATOM 0 HA ALA A 72 -7.101 -2.367 0.531 1.00 51.52 H new ATOM 0 HB1 ALA A 72 -7.362 -4.677 -0.240 1.00 54.42 H new ATOM 0 HB2 ALA A 72 -6.356 -3.725 -1.358 1.00 54.42 H new ATOM 0 HB3 ALA A 72 -5.594 -4.882 -0.241 1.00 54.42 H new ATOM 1188 N SER A 73 -5.516 -3.193 3.031 1.00 52.30 N ATOM 1189 CA SER A 73 -5.565 -3.663 4.407 1.00 21.35 C ATOM 1190 C SER A 73 -6.890 -3.196 5.012 1.00 22.45 C ATOM 1191 O SER A 73 -7.368 -2.107 4.683 1.00 5.14 O ATOM 1192 CB SER A 73 -4.379 -3.152 5.236 1.00 73.52 C ATOM 1193 OG SER A 73 -3.217 -3.914 4.968 1.00 41.43 O ATOM 0 H SER A 73 -4.769 -2.526 2.837 1.00 52.30 H new ATOM 0 HA SER A 73 -5.497 -4.751 4.418 1.00 21.35 H new ATOM 0 HB2 SER A 73 -4.193 -2.103 5.006 1.00 73.52 H new ATOM 0 HB3 SER A 73 -4.620 -3.208 6.298 1.00 73.52 H new ATOM 0 HG SER A 73 -3.147 -4.076 4.004 1.00 41.43 H new ATOM 1199 N PRO A 74 -7.459 -3.958 5.955 1.00 5.22 N ATOM 1200 CA PRO A 74 -8.721 -3.599 6.572 1.00 23.20 C ATOM 1201 C PRO A 74 -8.631 -2.230 7.236 1.00 20.22 C ATOM 1202 O PRO A 74 -9.451 -1.365 6.945 1.00 33.21 O ATOM 1203 CB PRO A 74 -9.060 -4.728 7.543 1.00 0.21 C ATOM 1204 CG PRO A 74 -7.759 -5.499 7.716 1.00 23.54 C ATOM 1205 CD PRO A 74 -6.985 -5.243 6.434 1.00 50.11 C ATOM 0 HA PRO A 74 -9.523 -3.499 5.840 1.00 23.20 H new ATOM 0 HB2 PRO A 74 -9.417 -4.336 8.496 1.00 0.21 H new ATOM 0 HB3 PRO A 74 -9.848 -5.367 7.146 1.00 0.21 H new ATOM 0 HG2 PRO A 74 -7.206 -5.151 8.589 1.00 23.54 H new ATOM 0 HG3 PRO A 74 -7.946 -6.563 7.860 1.00 23.54 H new ATOM 0 HD2 PRO A 74 -5.911 -5.223 6.620 1.00 50.11 H new ATOM 0 HD3 PRO A 74 -7.167 -6.028 5.700 1.00 50.11 H new ATOM 1213 N ALA A 75 -7.601 -1.987 8.052 1.00 53.43 N ATOM 1214 CA ALA A 75 -7.429 -0.716 8.739 1.00 3.11 C ATOM 1215 C ALA A 75 -7.255 0.464 7.774 1.00 12.43 C ATOM 1216 O ALA A 75 -7.558 1.590 8.165 1.00 51.25 O ATOM 1217 CB ALA A 75 -6.244 -0.825 9.693 1.00 71.23 C ATOM 0 H ALA A 75 -6.868 -2.668 8.251 1.00 53.43 H new ATOM 0 HA ALA A 75 -8.340 -0.508 9.300 1.00 3.11 H new ATOM 0 HB1 ALA A 75 -6.107 0.123 10.213 1.00 71.23 H new ATOM 0 HB2 ALA A 75 -6.434 -1.614 10.421 1.00 71.23 H new ATOM 0 HB3 ALA A 75 -5.343 -1.063 9.128 1.00 71.23 H new ATOM 1223 N TYR A 76 -6.728 0.244 6.562 1.00 11.33 N ATOM 1224 CA TYR A 76 -6.546 1.305 5.574 1.00 50.23 C ATOM 1225 C TYR A 76 -7.930 1.766 5.122 1.00 20.20 C ATOM 1226 O TYR A 76 -8.241 2.956 5.150 1.00 3.44 O ATOM 1227 CB TYR A 76 -5.729 0.796 4.356 1.00 71.50 C ATOM 1228 CG TYR A 76 -5.524 1.769 3.196 1.00 3.01 C ATOM 1229 CD1 TYR A 76 -4.231 2.237 2.877 1.00 52.32 C ATOM 1230 CD2 TYR A 76 -6.603 2.119 2.356 1.00 1.02 C ATOM 1231 CE1 TYR A 76 -4.020 3.051 1.746 1.00 14.34 C ATOM 1232 CE2 TYR A 76 -6.406 2.952 1.243 1.00 11.33 C ATOM 1233 CZ TYR A 76 -5.110 3.413 0.921 1.00 14.43 C ATOM 1234 OH TYR A 76 -4.908 4.174 -0.194 1.00 71.13 O ATOM 0 H TYR A 76 -6.418 -0.674 6.244 1.00 11.33 H new ATOM 0 HA TYR A 76 -5.992 2.132 6.018 1.00 50.23 H new ATOM 0 HB2 TYR A 76 -4.747 0.486 4.714 1.00 71.50 H new ATOM 0 HB3 TYR A 76 -6.223 -0.094 3.967 1.00 71.50 H new ATOM 0 HD1 TYR A 76 -3.395 1.969 3.506 1.00 52.32 H new ATOM 0 HD2 TYR A 76 -7.592 1.742 2.572 1.00 1.02 H new ATOM 0 HE1 TYR A 76 -3.025 3.399 1.509 1.00 14.34 H new ATOM 0 HE2 TYR A 76 -7.248 3.241 0.631 1.00 11.33 H new ATOM 0 HH TYR A 76 -5.765 4.328 -0.645 1.00 71.13 H new ATOM 1244 N LEU A 77 -8.754 0.802 4.703 1.00 73.45 N ATOM 1245 CA LEU A 77 -10.093 1.024 4.183 1.00 24.45 C ATOM 1246 C LEU A 77 -11.087 1.484 5.250 1.00 71.43 C ATOM 1247 O LEU A 77 -11.747 2.505 5.061 1.00 72.52 O ATOM 1248 CB LEU A 77 -10.584 -0.295 3.553 1.00 61.02 C ATOM 1249 CG LEU A 77 -9.694 -0.894 2.439 1.00 2.51 C ATOM 1250 CD1 LEU A 77 -10.051 -2.369 2.257 1.00 31.23 C ATOM 1251 CD2 LEU A 77 -9.813 -0.161 1.100 1.00 64.11 C ATOM 0 H LEU A 77 -8.493 -0.184 4.720 1.00 73.45 H new ATOM 0 HA LEU A 77 -10.039 1.827 3.448 1.00 24.45 H new ATOM 0 HB2 LEU A 77 -10.685 -1.036 4.346 1.00 61.02 H new ATOM 0 HB3 LEU A 77 -11.580 -0.129 3.143 1.00 61.02 H new ATOM 0 HG LEU A 77 -8.658 -0.778 2.758 1.00 2.51 H new ATOM 0 HD11 LEU A 77 -9.428 -2.800 1.473 1.00 31.23 H new ATOM 0 HD12 LEU A 77 -9.879 -2.903 3.192 1.00 31.23 H new ATOM 0 HD13 LEU A 77 -11.101 -2.457 1.976 1.00 31.23 H new ATOM 0 HD21 LEU A 77 -9.161 -0.635 0.366 1.00 64.11 H new ATOM 0 HD22 LEU A 77 -10.845 -0.205 0.751 1.00 64.11 H new ATOM 0 HD23 LEU A 77 -9.518 0.880 1.228 1.00 64.11 H new ATOM 1263 N SER A 78 -11.129 0.809 6.398 1.00 3.14 N ATOM 1264 CA SER A 78 -12.036 1.106 7.503 1.00 35.24 C ATOM 1265 C SER A 78 -11.870 2.517 8.076 1.00 41.35 C ATOM 1266 O SER A 78 -12.830 3.116 8.570 1.00 73.04 O ATOM 1267 CB SER A 78 -11.833 0.044 8.593 1.00 31.14 C ATOM 1268 OG SER A 78 -13.051 -0.300 9.218 1.00 3.43 O ATOM 0 H SER A 78 -10.515 0.018 6.589 1.00 3.14 H new ATOM 0 HA SER A 78 -13.055 1.075 7.116 1.00 35.24 H new ATOM 0 HB2 SER A 78 -11.384 -0.847 8.154 1.00 31.14 H new ATOM 0 HB3 SER A 78 -11.133 0.418 9.340 1.00 31.14 H new ATOM 0 HG SER A 78 -12.886 -0.979 9.905 1.00 3.43 H new ATOM 1274 N CYS A 79 -10.657 3.059 8.023 1.00 51.01 N ATOM 1275 CA CYS A 79 -10.322 4.380 8.526 1.00 4.44 C ATOM 1276 C CYS A 79 -10.332 5.463 7.444 1.00 72.22 C ATOM 1277 O CYS A 79 -9.888 6.571 7.741 1.00 21.53 O ATOM 1278 CB CYS A 79 -9.001 4.281 9.286 1.00 51.44 C ATOM 1279 SG CYS A 79 -9.247 3.276 10.784 1.00 54.12 S ATOM 0 H CYS A 79 -9.858 2.573 7.616 1.00 51.01 H new ATOM 0 HA CYS A 79 -11.100 4.711 9.214 1.00 4.44 H new ATOM 0 HB2 CYS A 79 -8.236 3.831 8.653 1.00 51.44 H new ATOM 0 HB3 CYS A 79 -8.647 5.276 9.555 1.00 51.44 H new ATOM 0 HG CYS A 79 -8.125 3.186 11.435 1.00 54.12 H new ATOM 1285 N GLN A 80 -10.747 5.172 6.200 1.00 3.34 N ATOM 1286 CA GLN A 80 -10.774 6.162 5.130 1.00 45.53 C ATOM 1287 C GLN A 80 -11.506 7.433 5.551 1.00 71.43 C ATOM 1288 O GLN A 80 -12.662 7.418 5.980 1.00 32.41 O ATOM 1289 CB GLN A 80 -11.354 5.594 3.825 1.00 72.24 C ATOM 1290 CG GLN A 80 -10.250 4.879 3.023 1.00 24.10 C ATOM 1291 CD GLN A 80 -9.728 5.694 1.838 1.00 32.13 C ATOM 1292 OE1 GLN A 80 -9.887 5.308 0.684 1.00 40.44 O ATOM 1293 NE2 GLN A 80 -9.061 6.818 2.055 1.00 12.25 N ATOM 0 H GLN A 80 -11.070 4.247 5.917 1.00 3.34 H new ATOM 0 HA GLN A 80 -9.736 6.429 4.931 1.00 45.53 H new ATOM 0 HB2 GLN A 80 -12.161 4.897 4.050 1.00 72.24 H new ATOM 0 HB3 GLN A 80 -11.785 6.398 3.229 1.00 72.24 H new ATOM 0 HG2 GLN A 80 -9.419 4.650 3.690 1.00 24.10 H new ATOM 0 HG3 GLN A 80 -10.637 3.928 2.657 1.00 24.10 H new ATOM 0 HE21 GLN A 80 -8.921 7.152 3.009 1.00 12.25 H new ATOM 0 HE22 GLN A 80 -8.688 7.350 1.268 1.00 12.25 H new ATOM 1302 N LYS A 81 -10.783 8.533 5.402 1.00 63.31 N ATOM 1303 CA LYS A 81 -11.132 9.908 5.681 1.00 1.21 C ATOM 1304 C LYS A 81 -10.695 10.711 4.454 1.00 54.31 C ATOM 1305 O LYS A 81 -9.495 10.716 4.153 1.00 4.50 O ATOM 1306 CB LYS A 81 -10.369 10.406 6.918 1.00 20.55 C ATOM 1307 CG LYS A 81 -10.930 9.877 8.245 1.00 22.23 C ATOM 1308 CD LYS A 81 -9.961 10.244 9.373 1.00 2.32 C ATOM 1309 CE LYS A 81 -10.473 9.752 10.726 1.00 52.41 C ATOM 1310 NZ LYS A 81 -9.600 10.195 11.830 1.00 74.01 N ATOM 0 H LYS A 81 -9.831 8.470 5.042 1.00 63.31 H new ATOM 0 HA LYS A 81 -12.199 10.014 5.879 1.00 1.21 H new ATOM 0 HB2 LYS A 81 -9.323 10.110 6.832 1.00 20.55 H new ATOM 0 HB3 LYS A 81 -10.391 11.496 6.933 1.00 20.55 H new ATOM 0 HG2 LYS A 81 -11.913 10.307 8.437 1.00 22.23 H new ATOM 0 HG3 LYS A 81 -11.059 8.796 8.196 1.00 22.23 H new ATOM 0 HD2 LYS A 81 -8.983 9.808 9.171 1.00 2.32 H new ATOM 0 HD3 LYS A 81 -9.828 11.325 9.403 1.00 2.32 H new ATOM 0 HE2 LYS A 81 -11.485 10.123 10.890 1.00 52.41 H new ATOM 0 HE3 LYS A 81 -10.530 8.663 10.720 1.00 52.41 H new ATOM 0 HZ1 LYS A 81 -9.977 9.843 12.733 1.00 74.01 H new ATOM 0 HZ2 LYS A 81 -8.641 9.820 11.686 1.00 74.01 H new ATOM 0 HZ3 LYS A 81 -9.566 11.234 11.850 1.00 74.01 H new ATOM 1324 N PRO A 82 -11.618 11.317 3.695 1.00 50.42 N ATOM 1325 CA PRO A 82 -11.284 12.127 2.531 1.00 10.04 C ATOM 1326 C PRO A 82 -10.638 13.431 3.016 1.00 54.32 C ATOM 1327 O PRO A 82 -10.448 13.630 4.216 1.00 4.34 O ATOM 1328 CB PRO A 82 -12.609 12.364 1.808 1.00 70.44 C ATOM 1329 CG PRO A 82 -13.635 12.307 2.932 1.00 60.42 C ATOM 1330 CD PRO A 82 -13.041 11.351 3.956 1.00 73.23 C ATOM 0 HA PRO A 82 -10.572 11.654 1.855 1.00 10.04 H new ATOM 0 HB2 PRO A 82 -12.623 13.328 1.299 1.00 70.44 H new ATOM 0 HB3 PRO A 82 -12.797 11.601 1.052 1.00 70.44 H new ATOM 0 HG2 PRO A 82 -13.803 13.294 3.364 1.00 60.42 H new ATOM 0 HG3 PRO A 82 -14.599 11.949 2.570 1.00 60.42 H new ATOM 0 HD2 PRO A 82 -13.243 11.693 4.971 1.00 73.23 H new ATOM 0 HD3 PRO A 82 -13.479 10.357 3.861 1.00 73.23 H new ATOM 1338 N ASP A 83 -10.274 14.323 2.090 1.00 63.32 N ATOM 1339 CA ASP A 83 -9.636 15.614 2.409 1.00 51.15 C ATOM 1340 C ASP A 83 -8.420 15.463 3.340 1.00 23.11 C ATOM 1341 O ASP A 83 -8.102 16.334 4.144 1.00 75.40 O ATOM 1342 CB ASP A 83 -10.658 16.649 2.904 1.00 4.53 C ATOM 1343 CG ASP A 83 -10.041 18.053 2.990 1.00 40.02 C ATOM 1344 OD1 ASP A 83 -10.466 18.832 3.875 1.00 44.23 O ATOM 1345 OD2 ASP A 83 -9.185 18.389 2.134 1.00 13.15 O ATOM 0 H ASP A 83 -10.412 14.174 1.091 1.00 63.32 H new ATOM 0 HA ASP A 83 -9.232 16.007 1.476 1.00 51.15 H new ATOM 0 HB2 ASP A 83 -11.514 16.667 2.230 1.00 4.53 H new ATOM 0 HB3 ASP A 83 -11.031 16.354 3.885 1.00 4.53 H new ATOM 1350 N THR A 84 -7.709 14.340 3.211 1.00 42.22 N ATOM 1351 CA THR A 84 -6.548 14.015 4.030 1.00 31.33 C ATOM 1352 C THR A 84 -5.215 14.451 3.422 1.00 44.51 C ATOM 1353 O THR A 84 -4.236 14.443 4.164 1.00 12.15 O ATOM 1354 CB THR A 84 -6.596 12.513 4.376 1.00 55.21 C ATOM 1355 OG1 THR A 84 -5.562 12.129 5.260 1.00 62.11 O ATOM 1356 CG2 THR A 84 -6.517 11.606 3.143 1.00 61.24 C ATOM 0 H THR A 84 -7.931 13.622 2.522 1.00 42.22 H new ATOM 0 HA THR A 84 -6.603 14.598 4.950 1.00 31.33 H new ATOM 0 HB THR A 84 -7.566 12.381 4.856 1.00 55.21 H new ATOM 0 HG1 THR A 84 -4.885 12.837 5.299 1.00 62.11 H new ATOM 0 HG21 THR A 84 -6.556 10.563 3.456 1.00 61.24 H new ATOM 0 HG22 THR A 84 -7.357 11.818 2.481 1.00 61.24 H new ATOM 0 HG23 THR A 84 -5.582 11.792 2.614 1.00 61.24 H new ATOM 1364 N ALA A 85 -5.165 14.831 2.133 1.00 34.11 N ATOM 1365 CA ALA A 85 -3.943 15.265 1.437 1.00 22.12 C ATOM 1366 C ALA A 85 -2.878 14.169 1.444 1.00 21.00 C ATOM 1367 O ALA A 85 -2.174 13.930 2.429 1.00 3.32 O ATOM 1368 CB ALA A 85 -3.464 16.629 1.945 1.00 34.34 C ATOM 0 H ALA A 85 -5.991 14.845 1.535 1.00 34.11 H new ATOM 0 HA ALA A 85 -4.176 15.424 0.384 1.00 22.12 H new ATOM 0 HB1 ALA A 85 -2.560 16.919 1.410 1.00 34.34 H new ATOM 0 HB2 ALA A 85 -4.241 17.374 1.775 1.00 34.34 H new ATOM 0 HB3 ALA A 85 -3.250 16.565 3.012 1.00 34.34 H new ATOM 1374 N ARG A 86 -2.878 13.388 0.361 1.00 41.34 N ATOM 1375 CA ARG A 86 -1.919 12.302 0.212 1.00 12.32 C ATOM 1376 C ARG A 86 -0.557 12.938 -0.087 1.00 25.03 C ATOM 1377 O ARG A 86 -0.454 14.123 -0.402 1.00 41.05 O ATOM 1378 CB ARG A 86 -2.341 11.344 -0.917 1.00 51.23 C ATOM 1379 CG ARG A 86 -3.793 10.836 -0.879 1.00 41.20 C ATOM 1380 CD ARG A 86 -4.188 10.220 -2.228 1.00 50.31 C ATOM 1381 NE ARG A 86 -4.389 11.259 -3.255 1.00 32.34 N ATOM 1382 CZ ARG A 86 -5.373 11.339 -4.157 1.00 12.14 C ATOM 1383 NH1 ARG A 86 -6.308 10.400 -4.276 1.00 1.33 N ATOM 1384 NH2 ARG A 86 -5.417 12.389 -4.955 1.00 54.51 N ATOM 0 H ARG A 86 -3.528 13.490 -0.418 1.00 41.34 H new ATOM 0 HA ARG A 86 -1.871 11.707 1.124 1.00 12.32 H new ATOM 0 HB2 ARG A 86 -2.181 11.848 -1.870 1.00 51.23 H new ATOM 0 HB3 ARG A 86 -1.677 10.480 -0.898 1.00 51.23 H new ATOM 0 HG2 ARG A 86 -3.903 10.094 -0.088 1.00 41.20 H new ATOM 0 HG3 ARG A 86 -4.465 11.660 -0.639 1.00 41.20 H new ATOM 0 HD2 ARG A 86 -3.412 9.528 -2.555 1.00 50.31 H new ATOM 0 HD3 ARG A 86 -5.103 9.640 -2.111 1.00 50.31 H new ATOM 0 HE ARG A 86 -3.695 12.006 -3.280 1.00 32.34 H new ATOM 0 HH11 ARG A 86 -6.290 9.582 -3.666 1.00 1.33 H new ATOM 0 HH12 ARG A 86 -7.043 10.498 -4.977 1.00 1.33 H new ATOM 0 HH21 ARG A 86 -4.709 13.119 -4.877 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -6.159 12.470 -5.650 1.00 54.51 H new ATOM 1398 N VAL A 87 0.483 12.120 -0.037 1.00 55.20 N ATOM 1399 CA VAL A 87 1.863 12.490 -0.295 1.00 54.30 C ATOM 1400 C VAL A 87 2.506 11.345 -1.073 1.00 14.15 C ATOM 1401 O VAL A 87 2.019 10.203 -1.022 1.00 34.24 O ATOM 1402 CB VAL A 87 2.618 12.799 1.019 1.00 43.24 C ATOM 1403 CG1 VAL A 87 2.213 14.159 1.599 1.00 12.21 C ATOM 1404 CG2 VAL A 87 2.404 11.714 2.088 1.00 74.21 C ATOM 0 H VAL A 87 0.381 11.132 0.196 1.00 55.20 H new ATOM 0 HA VAL A 87 1.910 13.406 -0.884 1.00 54.30 H new ATOM 0 HB VAL A 87 3.675 12.820 0.754 1.00 43.24 H new ATOM 0 HG11 VAL A 87 2.765 14.340 2.521 1.00 12.21 H new ATOM 0 HG12 VAL A 87 2.442 14.945 0.879 1.00 12.21 H new ATOM 0 HG13 VAL A 87 1.144 14.161 1.810 1.00 12.21 H new ATOM 0 HG21 VAL A 87 2.955 11.979 2.990 1.00 74.21 H new ATOM 0 HG22 VAL A 87 1.342 11.637 2.321 1.00 74.21 H new ATOM 0 HG23 VAL A 87 2.763 10.756 1.711 1.00 74.21 H new ATOM 1414 N ASP A 88 3.522 11.677 -1.862 1.00 23.04 N ATOM 1415 CA ASP A 88 4.306 10.759 -2.681 1.00 5.24 C ATOM 1416 C ASP A 88 5.614 10.369 -1.962 1.00 50.45 C ATOM 1417 O ASP A 88 5.808 10.649 -0.774 1.00 53.45 O ATOM 1418 CB ASP A 88 4.509 11.334 -4.095 1.00 55.10 C ATOM 1419 CG ASP A 88 5.376 12.590 -4.173 1.00 22.11 C ATOM 1420 OD1 ASP A 88 5.227 13.322 -5.176 1.00 15.25 O ATOM 1421 OD2 ASP A 88 6.210 12.812 -3.275 1.00 4.33 O ATOM 0 H ASP A 88 3.837 12.643 -1.952 1.00 23.04 H new ATOM 0 HA ASP A 88 3.757 9.827 -2.817 1.00 5.24 H new ATOM 0 HB2 ASP A 88 4.958 10.563 -4.721 1.00 55.10 H new ATOM 0 HB3 ASP A 88 3.531 11.561 -4.521 1.00 55.10 H new ATOM 1426 N ILE A 89 6.503 9.670 -2.671 1.00 4.42 N ATOM 1427 CA ILE A 89 7.805 9.214 -2.178 1.00 30.33 C ATOM 1428 C ILE A 89 8.800 10.358 -1.973 1.00 12.14 C ATOM 1429 O ILE A 89 9.767 10.194 -1.231 1.00 52.01 O ATOM 1430 CB ILE A 89 8.422 8.210 -3.173 1.00 31.01 C ATOM 1431 CG1 ILE A 89 8.359 8.732 -4.621 1.00 42.22 C ATOM 1432 CG2 ILE A 89 7.726 6.851 -3.067 1.00 41.15 C ATOM 1433 CD1 ILE A 89 9.413 8.118 -5.529 1.00 62.12 C ATOM 0 H ILE A 89 6.330 9.396 -3.638 1.00 4.42 H new ATOM 0 HA ILE A 89 7.620 8.748 -1.210 1.00 30.33 H new ATOM 0 HB ILE A 89 9.473 8.090 -2.908 1.00 31.01 H new ATOM 0 HG12 ILE A 89 7.371 8.525 -5.032 1.00 42.22 H new ATOM 0 HG13 ILE A 89 8.481 9.815 -4.615 1.00 42.22 H new ATOM 0 HG21 ILE A 89 8.175 6.156 -3.777 1.00 41.15 H new ATOM 0 HG22 ILE A 89 7.841 6.461 -2.055 1.00 41.15 H new ATOM 0 HG23 ILE A 89 6.666 6.966 -3.293 1.00 41.15 H new ATOM 0 HD11 ILE A 89 9.312 8.529 -6.533 1.00 62.12 H new ATOM 0 HD12 ILE A 89 10.406 8.347 -5.141 1.00 62.12 H new ATOM 0 HD13 ILE A 89 9.278 7.037 -5.564 1.00 62.12 H new ATOM 1445 N TYR A 90 8.617 11.480 -2.666 1.00 74.03 N ATOM 1446 CA TYR A 90 9.472 12.646 -2.565 1.00 34.02 C ATOM 1447 C TYR A 90 9.020 13.505 -1.382 1.00 33.15 C ATOM 1448 O TYR A 90 9.766 14.394 -0.969 1.00 14.15 O ATOM 1449 CB TYR A 90 9.372 13.483 -3.846 1.00 12.43 C ATOM 1450 CG TYR A 90 9.900 12.836 -5.109 1.00 10.52 C ATOM 1451 CD1 TYR A 90 9.085 11.986 -5.882 1.00 33.15 C ATOM 1452 CD2 TYR A 90 11.199 13.141 -5.549 1.00 41.52 C ATOM 1453 CE1 TYR A 90 9.555 11.455 -7.091 1.00 53.22 C ATOM 1454 CE2 TYR A 90 11.674 12.619 -6.762 1.00 30.22 C ATOM 1455 CZ TYR A 90 10.849 11.782 -7.545 1.00 3.32 C ATOM 1456 OH TYR A 90 11.282 11.307 -8.742 1.00 22.22 O ATOM 0 H TYR A 90 7.850 11.600 -3.327 1.00 74.03 H new ATOM 0 HA TYR A 90 10.502 12.318 -2.422 1.00 34.02 H new ATOM 0 HB2 TYR A 90 8.325 13.742 -4.005 1.00 12.43 H new ATOM 0 HB3 TYR A 90 9.911 14.417 -3.688 1.00 12.43 H new ATOM 0 HD1 TYR A 90 8.090 11.742 -5.540 1.00 33.15 H new ATOM 0 HD2 TYR A 90 11.834 13.779 -4.952 1.00 41.52 H new ATOM 0 HE1 TYR A 90 8.927 10.797 -7.673 1.00 53.22 H new ATOM 0 HE2 TYR A 90 12.672 12.858 -7.097 1.00 30.22 H new ATOM 0 HH TYR A 90 12.194 11.624 -8.909 1.00 22.22 H new ATOM 1466 N GLY A 91 7.840 13.221 -0.815 1.00 12.52 N ATOM 1467 CA GLY A 91 7.245 13.947 0.294 1.00 62.41 C ATOM 1468 C GLY A 91 6.377 15.100 -0.205 1.00 72.33 C ATOM 1469 O GLY A 91 5.867 15.859 0.618 1.00 72.23 O ATOM 0 H GLY A 91 7.258 12.447 -1.135 1.00 12.52 H new ATOM 0 HA2 GLY A 91 6.641 13.267 0.895 1.00 62.41 H new ATOM 0 HA3 GLY A 91 8.031 14.334 0.943 1.00 62.41 H new ATOM 1473 N ASN A 92 6.226 15.271 -1.528 1.00 20.34 N ATOM 1474 CA ASN A 92 5.409 16.344 -2.070 1.00 74.50 C ATOM 1475 C ASN A 92 3.949 16.045 -1.804 1.00 34.34 C ATOM 1476 O ASN A 92 3.506 14.894 -1.888 1.00 11.34 O ATOM 1477 CB ASN A 92 5.593 16.492 -3.581 1.00 40.35 C ATOM 1478 CG ASN A 92 7.004 16.902 -3.932 1.00 1.44 C ATOM 1479 OD1 ASN A 92 7.509 17.890 -3.408 1.00 45.43 O ATOM 1480 ND2 ASN A 92 7.673 16.163 -4.794 1.00 25.41 N ATOM 0 H ASN A 92 6.662 14.676 -2.233 1.00 20.34 H new ATOM 0 HA ASN A 92 5.720 17.269 -1.585 1.00 74.50 H new ATOM 0 HB2 ASN A 92 5.355 15.548 -4.071 1.00 40.35 H new ATOM 0 HB3 ASN A 92 4.892 17.235 -3.962 1.00 40.35 H new ATOM 0 HD21 ASN A 92 8.632 16.408 -5.039 1.00 25.41 H new ATOM 0 HD22 ASN A 92 7.231 15.346 -5.216 1.00 25.41 H new ATOM 1487 N GLU A 93 3.203 17.098 -1.494 1.00 62.34 N ATOM 1488 CA GLU A 93 1.793 17.033 -1.229 1.00 75.41 C ATOM 1489 C GLU A 93 1.083 16.882 -2.564 1.00 54.50 C ATOM 1490 O GLU A 93 1.460 17.486 -3.572 1.00 42.12 O ATOM 1491 CB GLU A 93 1.379 18.321 -0.511 1.00 72.41 C ATOM 1492 CG GLU A 93 1.551 18.155 1.000 1.00 2.35 C ATOM 1493 CD GLU A 93 1.359 19.474 1.752 1.00 64.40 C ATOM 1494 OE1 GLU A 93 0.378 19.579 2.526 1.00 21.20 O ATOM 1495 OE2 GLU A 93 2.220 20.375 1.600 1.00 10.03 O ATOM 0 H GLU A 93 3.584 18.041 -1.421 1.00 62.34 H new ATOM 0 HA GLU A 93 1.531 16.189 -0.591 1.00 75.41 H new ATOM 0 HB2 GLU A 93 1.985 19.155 -0.865 1.00 72.41 H new ATOM 0 HB3 GLU A 93 0.341 18.559 -0.743 1.00 72.41 H new ATOM 0 HG2 GLU A 93 0.833 17.422 1.367 1.00 2.35 H new ATOM 0 HG3 GLU A 93 2.545 17.761 1.210 1.00 2.35 H new ATOM 1502 N VAL A 94 0.043 16.074 -2.570 1.00 72.24 N ATOM 1503 CA VAL A 94 -0.811 15.778 -3.706 1.00 22.30 C ATOM 1504 C VAL A 94 -2.252 16.079 -3.283 1.00 4.01 C ATOM 1505 O VAL A 94 -2.504 16.469 -2.136 1.00 43.23 O ATOM 1506 CB VAL A 94 -0.488 14.452 -4.416 1.00 1.44 C ATOM 1507 CG1 VAL A 94 0.983 14.382 -4.842 1.00 43.00 C ATOM 1508 CG2 VAL A 94 -0.838 13.220 -3.598 1.00 43.35 C ATOM 0 H VAL A 94 -0.248 15.574 -1.730 1.00 72.24 H new ATOM 0 HA VAL A 94 -0.609 16.433 -4.553 1.00 22.30 H new ATOM 0 HB VAL A 94 -1.124 14.445 -5.301 1.00 1.44 H new ATOM 0 HG11 VAL A 94 1.173 13.431 -5.340 1.00 43.00 H new ATOM 0 HG12 VAL A 94 1.203 15.201 -5.527 1.00 43.00 H new ATOM 0 HG13 VAL A 94 1.621 14.464 -3.962 1.00 43.00 H new ATOM 0 HG21 VAL A 94 -0.582 12.324 -4.163 1.00 43.35 H new ATOM 0 HG22 VAL A 94 -0.277 13.232 -2.663 1.00 43.35 H new ATOM 0 HG23 VAL A 94 -1.906 13.219 -3.380 1.00 43.35 H new ATOM 1518 N ASP A 95 -3.227 15.861 -4.164 1.00 31.10 N ATOM 1519 CA ASP A 95 -4.601 16.213 -3.832 1.00 21.31 C ATOM 1520 C ASP A 95 -5.161 15.158 -2.876 1.00 22.03 C ATOM 1521 O ASP A 95 -4.483 14.208 -2.447 1.00 11.04 O ATOM 1522 CB ASP A 95 -5.490 16.247 -5.095 1.00 41.23 C ATOM 1523 CG ASP A 95 -5.084 17.274 -6.142 1.00 35.22 C ATOM 1524 OD1 ASP A 95 -5.924 18.128 -6.519 1.00 3.34 O ATOM 1525 OD2 ASP A 95 -4.001 17.098 -6.733 1.00 3.22 O ATOM 0 H ASP A 95 -3.095 15.453 -5.089 1.00 31.10 H new ATOM 0 HA ASP A 95 -4.603 17.202 -3.374 1.00 21.31 H new ATOM 0 HB2 ASP A 95 -5.480 15.259 -5.555 1.00 41.23 H new ATOM 0 HB3 ASP A 95 -6.518 16.447 -4.792 1.00 41.23 H new ATOM 1530 N VAL A 96 -6.450 15.273 -2.578 1.00 25.24 N ATOM 1531 CA VAL A 96 -7.082 14.418 -1.605 1.00 63.11 C ATOM 1532 C VAL A 96 -8.042 13.434 -2.230 1.00 42.34 C ATOM 1533 O VAL A 96 -8.476 13.572 -3.379 1.00 35.13 O ATOM 1534 CB VAL A 96 -7.851 15.338 -0.626 1.00 44.31 C ATOM 1535 CG1 VAL A 96 -7.003 16.509 -0.102 1.00 22.23 C ATOM 1536 CG2 VAL A 96 -9.124 15.972 -1.220 1.00 72.25 C ATOM 0 H VAL A 96 -7.074 15.958 -3.005 1.00 25.24 H new ATOM 0 HA VAL A 96 -6.317 13.827 -1.102 1.00 63.11 H new ATOM 0 HB VAL A 96 -8.115 14.651 0.178 1.00 44.31 H new ATOM 0 HG11 VAL A 96 -7.601 17.115 0.579 1.00 22.23 H new ATOM 0 HG12 VAL A 96 -6.133 16.120 0.427 1.00 22.23 H new ATOM 0 HG13 VAL A 96 -6.673 17.123 -0.940 1.00 22.23 H new ATOM 0 HG21 VAL A 96 -9.602 16.601 -0.469 1.00 72.25 H new ATOM 0 HG22 VAL A 96 -8.858 16.579 -2.086 1.00 72.25 H new ATOM 0 HG23 VAL A 96 -9.813 15.185 -1.526 1.00 72.25 H new ATOM 1546 N VAL A 97 -8.281 12.378 -1.458 1.00 41.04 N ATOM 1547 CA VAL A 97 -9.201 11.331 -1.869 1.00 20.04 C ATOM 1548 C VAL A 97 -10.561 12.031 -1.843 1.00 43.23 C ATOM 1549 O VAL A 97 -10.861 12.709 -0.851 1.00 64.53 O ATOM 1550 CB VAL A 97 -9.128 10.104 -0.937 1.00 13.01 C ATOM 1551 CG1 VAL A 97 -9.827 8.915 -1.609 1.00 64.13 C ATOM 1552 CG2 VAL A 97 -7.688 9.673 -0.612 1.00 44.33 C ATOM 0 H VAL A 97 -7.849 12.228 -0.546 1.00 41.04 H new ATOM 0 HA VAL A 97 -8.974 10.915 -2.851 1.00 20.04 H new ATOM 0 HB VAL A 97 -9.614 10.395 -0.006 1.00 13.01 H new ATOM 0 HG11 VAL A 97 -9.777 8.046 -0.953 1.00 64.13 H new ATOM 0 HG12 VAL A 97 -10.870 9.167 -1.800 1.00 64.13 H new ATOM 0 HG13 VAL A 97 -9.331 8.687 -2.552 1.00 64.13 H new ATOM 0 HG21 VAL A 97 -7.708 8.805 0.047 1.00 44.33 H new ATOM 0 HG22 VAL A 97 -7.168 9.416 -1.535 1.00 44.33 H new ATOM 0 HG23 VAL A 97 -7.166 10.492 -0.118 1.00 44.33 H new ATOM 1562 N THR A 98 -11.328 11.936 -2.931 1.00 70.21 N ATOM 1563 CA THR A 98 -12.627 12.590 -2.998 1.00 62.51 C ATOM 1564 C THR A 98 -13.532 12.039 -1.887 1.00 55.43 C ATOM 1565 O THR A 98 -13.325 10.909 -1.425 1.00 12.11 O ATOM 1566 CB THR A 98 -13.242 12.474 -4.410 1.00 11.33 C ATOM 1567 OG1 THR A 98 -13.867 11.224 -4.573 1.00 61.24 O ATOM 1568 CG2 THR A 98 -12.227 12.672 -5.543 1.00 33.24 C ATOM 0 H THR A 98 -11.071 11.415 -3.770 1.00 70.21 H new ATOM 0 HA THR A 98 -12.511 13.660 -2.823 1.00 62.51 H new ATOM 0 HB THR A 98 -13.970 13.283 -4.481 1.00 11.33 H new ATOM 0 HG1 THR A 98 -14.253 11.166 -5.472 1.00 61.24 H new ATOM 0 HG21 THR A 98 -12.732 12.576 -6.504 1.00 33.24 H new ATOM 0 HG22 THR A 98 -11.782 13.664 -5.464 1.00 33.24 H new ATOM 0 HG23 THR A 98 -11.445 11.917 -5.467 1.00 33.24 H new ATOM 1576 N PRO A 99 -14.574 12.777 -1.474 1.00 61.15 N ATOM 1577 CA PRO A 99 -15.461 12.325 -0.416 1.00 73.32 C ATOM 1578 C PRO A 99 -16.148 11.005 -0.759 1.00 54.25 C ATOM 1579 O PRO A 99 -16.284 10.139 0.107 1.00 3.24 O ATOM 1580 CB PRO A 99 -16.424 13.486 -0.170 1.00 40.54 C ATOM 1581 CG PRO A 99 -16.397 14.270 -1.471 1.00 72.42 C ATOM 1582 CD PRO A 99 -14.953 14.107 -1.923 1.00 14.22 C ATOM 0 HA PRO A 99 -14.919 12.087 0.499 1.00 73.32 H new ATOM 0 HB2 PRO A 99 -17.428 13.130 0.060 1.00 40.54 H new ATOM 0 HB3 PRO A 99 -16.103 14.099 0.672 1.00 40.54 H new ATOM 0 HG2 PRO A 99 -17.099 13.868 -2.202 1.00 72.42 H new ATOM 0 HG3 PRO A 99 -16.659 15.317 -1.319 1.00 72.42 H new ATOM 0 HD2 PRO A 99 -14.864 14.200 -3.005 1.00 14.22 H new ATOM 0 HD3 PRO A 99 -14.312 14.871 -1.484 1.00 14.22 H new ATOM 1590 N GLU A 100 -16.572 10.839 -2.011 1.00 35.44 N ATOM 1591 CA GLU A 100 -17.241 9.628 -2.458 1.00 54.34 C ATOM 1592 C GLU A 100 -16.259 8.480 -2.696 1.00 31.13 C ATOM 1593 O GLU A 100 -16.623 7.323 -2.478 1.00 61.10 O ATOM 1594 CB GLU A 100 -18.046 9.934 -3.724 1.00 44.41 C ATOM 1595 CG GLU A 100 -19.238 10.840 -3.375 1.00 2.21 C ATOM 1596 CD GLU A 100 -20.140 11.044 -4.584 1.00 73.20 C ATOM 1597 OE1 GLU A 100 -19.715 11.763 -5.517 1.00 73.20 O ATOM 1598 OE2 GLU A 100 -21.233 10.436 -4.624 1.00 14.51 O ATOM 0 H GLU A 100 -16.459 11.543 -2.741 1.00 35.44 H new ATOM 0 HA GLU A 100 -17.916 9.298 -1.668 1.00 54.34 H new ATOM 0 HB2 GLU A 100 -17.410 10.423 -4.462 1.00 44.41 H new ATOM 0 HB3 GLU A 100 -18.401 9.007 -4.173 1.00 44.41 H new ATOM 0 HG2 GLU A 100 -19.810 10.396 -2.560 1.00 2.21 H new ATOM 0 HG3 GLU A 100 -18.875 11.805 -3.021 1.00 2.21 H new ATOM 1605 N GLN A 101 -15.033 8.761 -3.154 1.00 72.04 N ATOM 1606 CA GLN A 101 -14.043 7.719 -3.412 1.00 21.42 C ATOM 1607 C GLN A 101 -13.363 7.227 -2.137 1.00 31.43 C ATOM 1608 O GLN A 101 -12.936 6.071 -2.112 1.00 20.40 O ATOM 1609 CB GLN A 101 -13.019 8.159 -4.460 1.00 20.22 C ATOM 1610 CG GLN A 101 -13.704 8.276 -5.831 1.00 21.23 C ATOM 1611 CD GLN A 101 -12.745 8.744 -6.917 1.00 22.13 C ATOM 1612 OE1 GLN A 101 -12.842 9.866 -7.397 1.00 12.01 O ATOM 1613 NE2 GLN A 101 -11.799 7.920 -7.345 1.00 61.14 N ATOM 0 H GLN A 101 -14.706 9.706 -3.353 1.00 72.04 H new ATOM 0 HA GLN A 101 -14.590 6.869 -3.821 1.00 21.42 H new ATOM 0 HB2 GLN A 101 -12.582 9.117 -4.177 1.00 20.22 H new ATOM 0 HB3 GLN A 101 -12.202 7.439 -4.510 1.00 20.22 H new ATOM 0 HG2 GLN A 101 -14.121 7.309 -6.110 1.00 21.23 H new ATOM 0 HG3 GLN A 101 -14.538 8.974 -5.760 1.00 21.23 H new ATOM 0 HE21 GLN A 101 -11.718 6.985 -6.945 1.00 61.14 H new ATOM 0 HE22 GLN A 101 -11.152 8.221 -8.074 1.00 61.14 H new ATOM 1622 N ALA A 102 -13.240 8.054 -1.096 1.00 0.44 N ATOM 1623 CA ALA A 102 -12.615 7.623 0.151 1.00 32.23 C ATOM 1624 C ALA A 102 -13.534 6.626 0.853 1.00 61.11 C ATOM 1625 O ALA A 102 -13.130 5.499 1.142 1.00 74.13 O ATOM 1626 CB ALA A 102 -12.356 8.832 1.063 1.00 64.55 C ATOM 0 H ALA A 102 -13.564 9.021 -1.094 1.00 0.44 H new ATOM 0 HA ALA A 102 -11.660 7.147 -0.070 1.00 32.23 H new ATOM 0 HB1 ALA A 102 -11.890 8.496 1.989 1.00 64.55 H new ATOM 0 HB2 ALA A 102 -11.693 9.534 0.557 1.00 64.55 H new ATOM 0 HB3 ALA A 102 -13.301 9.325 1.291 1.00 64.55 H new ATOM 1632 N LYS A 103 -14.809 6.995 1.005 1.00 45.21 N ATOM 1633 CA LYS A 103 -15.790 6.147 1.671 1.00 23.32 C ATOM 1634 C LYS A 103 -16.047 4.854 0.916 1.00 21.45 C ATOM 1635 O LYS A 103 -16.334 3.844 1.548 1.00 21.22 O ATOM 1636 CB LYS A 103 -17.093 6.909 1.934 1.00 73.15 C ATOM 1637 CG LYS A 103 -17.900 7.187 0.653 1.00 4.20 C ATOM 1638 CD LYS A 103 -19.169 7.992 0.922 1.00 1.20 C ATOM 1639 CE LYS A 103 -20.146 7.172 1.768 1.00 61.12 C ATOM 1640 NZ LYS A 103 -21.355 7.941 2.096 1.00 33.41 N ATOM 0 H LYS A 103 -15.184 7.883 0.671 1.00 45.21 H new ATOM 0 HA LYS A 103 -15.363 5.866 2.634 1.00 23.32 H new ATOM 0 HB2 LYS A 103 -17.709 6.335 2.627 1.00 73.15 H new ATOM 0 HB3 LYS A 103 -16.861 7.855 2.423 1.00 73.15 H new ATOM 0 HG2 LYS A 103 -17.274 7.729 -0.056 1.00 4.20 H new ATOM 0 HG3 LYS A 103 -18.167 6.240 0.184 1.00 4.20 H new ATOM 0 HD2 LYS A 103 -18.918 8.918 1.439 1.00 1.20 H new ATOM 0 HD3 LYS A 103 -19.639 8.270 -0.021 1.00 1.20 H new ATOM 0 HE2 LYS A 103 -20.425 6.267 1.228 1.00 61.12 H new ATOM 0 HE3 LYS A 103 -19.655 6.856 2.688 1.00 61.12 H new ATOM 0 HZ1 LYS A 103 -21.994 7.355 2.670 1.00 33.41 H new ATOM 0 HZ2 LYS A 103 -21.090 8.792 2.633 1.00 33.41 H new ATOM 0 HZ3 LYS A 103 -21.837 8.221 1.218 1.00 33.41 H new ATOM 1654 N TYR A 104 -15.892 4.858 -0.415 1.00 2.23 N ATOM 1655 CA TYR A 104 -16.110 3.702 -1.287 1.00 20.34 C ATOM 1656 C TYR A 104 -15.305 2.498 -0.786 1.00 71.51 C ATOM 1657 O TYR A 104 -15.702 1.350 -1.004 1.00 4.34 O ATOM 1658 CB TYR A 104 -15.706 4.071 -2.717 1.00 72.34 C ATOM 1659 CG TYR A 104 -15.684 2.941 -3.725 1.00 13.41 C ATOM 1660 CD1 TYR A 104 -16.792 2.702 -4.560 1.00 62.10 C ATOM 1661 CD2 TYR A 104 -14.526 2.151 -3.847 1.00 3.12 C ATOM 1662 CE1 TYR A 104 -16.714 1.716 -5.559 1.00 51.54 C ATOM 1663 CE2 TYR A 104 -14.452 1.160 -4.834 1.00 50.10 C ATOM 1664 CZ TYR A 104 -15.533 0.961 -5.719 1.00 33.05 C ATOM 1665 OH TYR A 104 -15.431 0.057 -6.728 1.00 32.41 O ATOM 0 H TYR A 104 -15.603 5.691 -0.927 1.00 2.23 H new ATOM 0 HA TYR A 104 -17.165 3.427 -1.274 1.00 20.34 H new ATOM 0 HB2 TYR A 104 -16.392 4.837 -3.078 1.00 72.34 H new ATOM 0 HB3 TYR A 104 -14.713 4.520 -2.686 1.00 72.34 H new ATOM 0 HD1 TYR A 104 -17.699 3.274 -4.433 1.00 62.10 H new ATOM 0 HD2 TYR A 104 -13.693 2.309 -3.178 1.00 3.12 H new ATOM 0 HE1 TYR A 104 -17.560 1.536 -6.206 1.00 51.54 H new ATOM 0 HE2 TYR A 104 -13.567 0.547 -4.918 1.00 50.10 H new ATOM 0 HH TYR A 104 -14.495 -0.018 -7.007 1.00 32.41 H new ATOM 1675 N ALA A 105 -14.187 2.749 -0.095 1.00 51.51 N ATOM 1676 CA ALA A 105 -13.325 1.735 0.476 1.00 21.43 C ATOM 1677 C ALA A 105 -14.133 0.767 1.354 1.00 32.00 C ATOM 1678 O ALA A 105 -13.761 -0.403 1.444 1.00 74.22 O ATOM 1679 CB ALA A 105 -12.277 2.448 1.318 1.00 53.51 C ATOM 0 H ALA A 105 -13.856 3.697 0.082 1.00 51.51 H new ATOM 0 HA ALA A 105 -12.856 1.151 -0.316 1.00 21.43 H new ATOM 0 HB1 ALA A 105 -11.608 1.713 1.765 1.00 53.51 H new ATOM 0 HB2 ALA A 105 -11.702 3.125 0.686 1.00 53.51 H new ATOM 0 HB3 ALA A 105 -12.769 3.017 2.106 1.00 53.51 H new ATOM 1685 N TYR A 106 -15.238 1.218 1.966 1.00 22.54 N ATOM 1686 CA TYR A 106 -16.102 0.397 2.804 1.00 23.42 C ATOM 1687 C TYR A 106 -16.594 -0.838 2.045 1.00 32.51 C ATOM 1688 O TYR A 106 -16.723 -1.913 2.640 1.00 52.34 O ATOM 1689 CB TYR A 106 -17.267 1.229 3.378 1.00 54.33 C ATOM 1690 CG TYR A 106 -18.592 1.134 2.628 1.00 31.24 C ATOM 1691 CD1 TYR A 106 -18.765 1.720 1.359 1.00 41.34 C ATOM 1692 CD2 TYR A 106 -19.659 0.416 3.200 1.00 14.33 C ATOM 1693 CE1 TYR A 106 -19.995 1.609 0.683 1.00 44.10 C ATOM 1694 CE2 TYR A 106 -20.858 0.229 2.497 1.00 31.42 C ATOM 1695 CZ TYR A 106 -21.035 0.830 1.232 1.00 74.21 C ATOM 1696 OH TYR A 106 -22.216 0.700 0.568 1.00 51.52 O ATOM 0 H TYR A 106 -15.556 2.184 1.886 1.00 22.54 H new ATOM 0 HA TYR A 106 -15.516 0.038 3.650 1.00 23.42 H new ATOM 0 HB2 TYR A 106 -17.434 0.920 4.410 1.00 54.33 H new ATOM 0 HB3 TYR A 106 -16.962 2.275 3.404 1.00 54.33 H new ATOM 0 HD1 TYR A 106 -17.948 2.258 0.901 1.00 41.34 H new ATOM 0 HD2 TYR A 106 -19.553 0.004 4.193 1.00 14.33 H new ATOM 0 HE1 TYR A 106 -20.142 2.121 -0.257 1.00 44.10 H new ATOM 0 HE2 TYR A 106 -21.646 -0.375 2.923 1.00 31.42 H new ATOM 0 HH TYR A 106 -22.821 0.129 1.086 1.00 51.52 H new ATOM 1706 N GLN A 107 -16.837 -0.712 0.736 1.00 55.35 N ATOM 1707 CA GLN A 107 -17.292 -1.806 -0.104 1.00 24.21 C ATOM 1708 C GLN A 107 -16.184 -2.842 -0.253 1.00 4.21 C ATOM 1709 O GLN A 107 -16.455 -4.037 -0.324 1.00 12.23 O ATOM 1710 CB GLN A 107 -17.643 -1.317 -1.508 1.00 32.55 C ATOM 1711 CG GLN A 107 -18.849 -0.382 -1.558 1.00 45.12 C ATOM 1712 CD GLN A 107 -19.486 -0.399 -2.940 1.00 42.32 C ATOM 1713 OE1 GLN A 107 -20.413 -1.163 -3.188 1.00 24.41 O ATOM 1714 NE2 GLN A 107 -18.970 0.381 -3.872 1.00 5.45 N ATOM 0 H GLN A 107 -16.719 0.167 0.232 1.00 55.35 H new ATOM 0 HA GLN A 107 -18.174 -2.234 0.373 1.00 24.21 H new ATOM 0 HB2 GLN A 107 -16.779 -0.802 -1.928 1.00 32.55 H new ATOM 0 HB3 GLN A 107 -17.839 -2.180 -2.144 1.00 32.55 H new ATOM 0 HG2 GLN A 107 -19.582 -0.686 -0.811 1.00 45.12 H new ATOM 0 HG3 GLN A 107 -18.539 0.633 -1.307 1.00 45.12 H new ATOM 0 HE21 GLN A 107 -18.199 1.009 -3.643 1.00 5.45 H new ATOM 0 HE22 GLN A 107 -19.342 0.356 -4.821 1.00 5.45 H new ATOM 1723 N ARG A 108 -14.935 -2.391 -0.374 1.00 35.41 N ATOM 1724 CA ARG A 108 -13.776 -3.262 -0.527 1.00 0.34 C ATOM 1725 C ARG A 108 -13.526 -3.959 0.802 1.00 61.10 C ATOM 1726 O ARG A 108 -13.267 -5.157 0.815 1.00 21.25 O ATOM 1727 CB ARG A 108 -12.550 -2.460 -1.013 1.00 30.43 C ATOM 1728 CG ARG A 108 -12.854 -1.423 -2.113 1.00 22.30 C ATOM 1729 CD ARG A 108 -13.497 -2.023 -3.373 1.00 21.41 C ATOM 1730 NE ARG A 108 -12.527 -2.436 -4.407 1.00 54.33 N ATOM 1731 CZ ARG A 108 -12.846 -2.646 -5.693 1.00 14.04 C ATOM 1732 NH1 ARG A 108 -14.113 -2.552 -6.082 1.00 22.03 N ATOM 1733 NH2 ARG A 108 -11.922 -2.936 -6.600 1.00 64.24 N ATOM 0 H ARG A 108 -14.700 -1.398 -0.368 1.00 35.41 H new ATOM 0 HA ARG A 108 -13.964 -4.018 -1.289 1.00 0.34 H new ATOM 0 HB2 ARG A 108 -12.108 -1.946 -0.160 1.00 30.43 H new ATOM 0 HB3 ARG A 108 -11.801 -3.158 -1.387 1.00 30.43 H new ATOM 0 HG2 ARG A 108 -13.518 -0.660 -1.706 1.00 22.30 H new ATOM 0 HG3 ARG A 108 -11.927 -0.922 -2.393 1.00 22.30 H new ATOM 0 HD2 ARG A 108 -14.096 -2.887 -3.086 1.00 21.41 H new ATOM 0 HD3 ARG A 108 -14.180 -1.291 -3.803 1.00 21.41 H new ATOM 0 HE ARG A 108 -11.556 -2.570 -4.126 1.00 54.33 H new ATOM 0 HH11 ARG A 108 -14.839 -2.321 -5.404 1.00 22.03 H new ATOM 0 HH12 ARG A 108 -14.360 -2.711 -7.059 1.00 22.03 H new ATOM 0 HH21 ARG A 108 -10.942 -3.004 -6.326 1.00 64.24 H new ATOM 0 HH22 ARG A 108 -12.192 -3.091 -7.571 1.00 64.24 H new ATOM 1747 N TYR A 109 -13.669 -3.242 1.918 1.00 70.53 N ATOM 1748 CA TYR A 109 -13.476 -3.813 3.239 1.00 44.21 C ATOM 1749 C TYR A 109 -14.431 -4.983 3.426 1.00 15.01 C ATOM 1750 O TYR A 109 -14.013 -6.074 3.777 1.00 42.14 O ATOM 1751 CB TYR A 109 -13.715 -2.757 4.328 1.00 21.11 C ATOM 1752 CG TYR A 109 -13.691 -3.346 5.729 1.00 40.23 C ATOM 1753 CD1 TYR A 109 -14.847 -3.955 6.255 1.00 23.22 C ATOM 1754 CD2 TYR A 109 -12.497 -3.383 6.468 1.00 64.22 C ATOM 1755 CE1 TYR A 109 -14.788 -4.674 7.458 1.00 3.33 C ATOM 1756 CE2 TYR A 109 -12.445 -4.083 7.687 1.00 12.53 C ATOM 1757 CZ TYR A 109 -13.580 -4.766 8.178 1.00 64.24 C ATOM 1758 OH TYR A 109 -13.534 -5.510 9.319 1.00 71.52 O ATOM 0 H TYR A 109 -13.921 -2.254 1.925 1.00 70.53 H new ATOM 0 HA TYR A 109 -12.448 -4.163 3.326 1.00 44.21 H new ATOM 0 HB2 TYR A 109 -12.953 -1.982 4.251 1.00 21.11 H new ATOM 0 HB3 TYR A 109 -14.678 -2.275 4.157 1.00 21.11 H new ATOM 0 HD1 TYR A 109 -15.786 -3.868 5.728 1.00 23.22 H new ATOM 0 HD2 TYR A 109 -11.619 -2.874 6.100 1.00 64.22 H new ATOM 0 HE1 TYR A 109 -15.675 -5.161 7.835 1.00 3.33 H new ATOM 0 HE2 TYR A 109 -11.526 -4.098 8.254 1.00 12.53 H new ATOM 0 HH TYR A 109 -12.631 -5.474 9.697 1.00 71.52 H new ATOM 1768 N GLN A 110 -15.723 -4.754 3.195 1.00 15.45 N ATOM 1769 CA GLN A 110 -16.754 -5.765 3.362 1.00 54.21 C ATOM 1770 C GLN A 110 -16.582 -6.927 2.405 1.00 54.32 C ATOM 1771 O GLN A 110 -17.116 -7.998 2.660 1.00 3.23 O ATOM 1772 CB GLN A 110 -18.176 -5.193 3.369 1.00 42.03 C ATOM 1773 CG GLN A 110 -18.631 -4.579 2.044 1.00 72.32 C ATOM 1774 CD GLN A 110 -19.900 -3.735 2.175 1.00 64.15 C ATOM 1775 OE1 GLN A 110 -20.202 -3.170 3.226 1.00 63.45 O ATOM 1776 NE2 GLN A 110 -20.664 -3.607 1.103 1.00 54.44 N ATOM 0 H GLN A 110 -16.082 -3.851 2.884 1.00 15.45 H new ATOM 0 HA GLN A 110 -16.612 -6.172 4.363 1.00 54.21 H new ATOM 0 HB2 GLN A 110 -18.870 -5.988 3.641 1.00 42.03 H new ATOM 0 HB3 GLN A 110 -18.242 -4.432 4.147 1.00 42.03 H new ATOM 0 HG2 GLN A 110 -17.829 -3.958 1.644 1.00 72.32 H new ATOM 0 HG3 GLN A 110 -18.806 -5.377 1.322 1.00 72.32 H new ATOM 0 HE21 GLN A 110 -20.408 -4.078 0.235 1.00 54.44 H new ATOM 0 HE22 GLN A 110 -21.509 -3.037 1.144 1.00 54.44 H new ATOM 1785 N GLU A 111 -15.978 -6.699 1.243 1.00 72.02 N ATOM 1786 CA GLU A 111 -15.795 -7.766 0.271 1.00 15.43 C ATOM 1787 C GLU A 111 -15.010 -8.943 0.849 1.00 21.11 C ATOM 1788 O GLU A 111 -15.431 -10.096 0.775 1.00 51.43 O ATOM 1789 CB GLU A 111 -15.145 -7.160 -0.983 1.00 50.23 C ATOM 1790 CG GLU A 111 -13.651 -7.319 -1.309 1.00 44.03 C ATOM 1791 CD GLU A 111 -13.366 -8.580 -2.134 1.00 73.24 C ATOM 1792 OE1 GLU A 111 -14.028 -9.621 -1.922 1.00 21.12 O ATOM 1793 OE2 GLU A 111 -12.540 -8.533 -3.069 1.00 60.42 O ATOM 0 H GLU A 111 -15.610 -5.792 0.955 1.00 72.02 H new ATOM 0 HA GLU A 111 -16.760 -8.192 -0.003 1.00 15.43 H new ATOM 0 HB2 GLU A 111 -15.693 -7.556 -1.838 1.00 50.23 H new ATOM 0 HB3 GLU A 111 -15.342 -6.089 -0.947 1.00 50.23 H new ATOM 0 HG2 GLU A 111 -13.306 -6.443 -1.858 1.00 44.03 H new ATOM 0 HG3 GLU A 111 -13.081 -7.358 -0.381 1.00 44.03 H new ATOM 1800 N ARG A 112 -13.930 -8.599 1.532 1.00 60.32 N ATOM 1801 CA ARG A 112 -12.992 -9.539 2.160 1.00 10.40 C ATOM 1802 C ARG A 112 -13.061 -9.699 3.672 1.00 73.45 C ATOM 1803 O ARG A 112 -12.735 -10.779 4.168 1.00 31.43 O ATOM 1804 CB ARG A 112 -11.563 -9.089 1.816 1.00 71.25 C ATOM 1805 CG ARG A 112 -11.059 -9.704 0.504 1.00 34.11 C ATOM 1806 CD ARG A 112 -10.632 -11.158 0.728 1.00 0.34 C ATOM 1807 NE ARG A 112 -10.413 -11.871 -0.536 1.00 72.12 N ATOM 1808 CZ ARG A 112 -9.320 -12.564 -0.875 1.00 13.54 C ATOM 1809 NH1 ARG A 112 -8.185 -12.474 -0.196 1.00 24.33 N ATOM 1810 NH2 ARG A 112 -9.360 -13.364 -1.928 1.00 22.01 N ATOM 0 H ARG A 112 -13.666 -7.624 1.674 1.00 60.32 H new ATOM 0 HA ARG A 112 -13.280 -10.510 1.758 1.00 10.40 H new ATOM 0 HB2 ARG A 112 -11.535 -8.002 1.739 1.00 71.25 H new ATOM 0 HB3 ARG A 112 -10.891 -9.369 2.627 1.00 71.25 H new ATOM 0 HG2 ARG A 112 -11.844 -9.661 -0.251 1.00 34.11 H new ATOM 0 HG3 ARG A 112 -10.218 -9.125 0.123 1.00 34.11 H new ATOM 0 HD2 ARG A 112 -9.716 -11.179 1.319 1.00 0.34 H new ATOM 0 HD3 ARG A 112 -11.397 -11.675 1.307 1.00 0.34 H new ATOM 0 HE ARG A 112 -11.167 -11.835 -1.222 1.00 72.12 H new ATOM 0 HH11 ARG A 112 -8.124 -11.860 0.616 1.00 24.33 H new ATOM 0 HH12 ARG A 112 -7.373 -13.019 -0.486 1.00 24.33 H new ATOM 0 HH21 ARG A 112 -10.218 -13.448 -2.473 1.00 22.01 H new ATOM 0 HH22 ARG A 112 -8.532 -13.897 -2.195 1.00 22.01 H new ATOM 1824 N TYR A 113 -13.445 -8.661 4.396 1.00 14.20 N ATOM 1825 CA TYR A 113 -13.522 -8.604 5.854 1.00 62.33 C ATOM 1826 C TYR A 113 -14.947 -8.388 6.357 1.00 24.01 C ATOM 1827 O TYR A 113 -15.169 -7.975 7.498 1.00 32.14 O ATOM 1828 CB TYR A 113 -12.535 -7.528 6.337 1.00 60.21 C ATOM 1829 CG TYR A 113 -11.142 -7.696 5.752 1.00 41.33 C ATOM 1830 CD1 TYR A 113 -10.627 -6.761 4.828 1.00 42.32 C ATOM 1831 CD2 TYR A 113 -10.402 -8.849 6.068 1.00 13.02 C ATOM 1832 CE1 TYR A 113 -9.389 -6.991 4.194 1.00 44.52 C ATOM 1833 CE2 TYR A 113 -9.181 -9.100 5.429 1.00 45.02 C ATOM 1834 CZ TYR A 113 -8.685 -8.185 4.474 1.00 4.40 C ATOM 1835 OH TYR A 113 -7.518 -8.468 3.838 1.00 13.22 O ATOM 0 H TYR A 113 -13.728 -7.783 3.961 1.00 14.20 H new ATOM 0 HA TYR A 113 -13.235 -9.566 6.279 1.00 62.33 H new ATOM 0 HB2 TYR A 113 -12.919 -6.544 6.070 1.00 60.21 H new ATOM 0 HB3 TYR A 113 -12.473 -7.561 7.425 1.00 60.21 H new ATOM 0 HD1 TYR A 113 -11.185 -5.864 4.605 1.00 42.32 H new ATOM 0 HD2 TYR A 113 -10.776 -9.543 6.806 1.00 13.02 H new ATOM 0 HE1 TYR A 113 -8.984 -6.265 3.504 1.00 44.52 H new ATOM 0 HE2 TYR A 113 -8.620 -9.992 5.666 1.00 45.02 H new ATOM 0 HH TYR A 113 -7.173 -9.329 4.155 1.00 13.22 H new ATOM 1845 N GLY A 114 -15.931 -8.656 5.511 1.00 40.13 N ATOM 1846 CA GLY A 114 -17.342 -8.527 5.827 1.00 4.11 C ATOM 1847 C GLY A 114 -18.125 -9.484 4.948 1.00 50.43 C ATOM 1848 O GLY A 114 -17.552 -10.347 4.281 1.00 23.21 O ATOM 0 H GLY A 114 -15.762 -8.979 4.558 1.00 40.13 H new ATOM 0 HA2 GLY A 114 -17.516 -8.752 6.879 1.00 4.11 H new ATOM 0 HA3 GLY A 114 -17.675 -7.502 5.661 1.00 4.11 H new ATOM 1852 N ASN A 115 -19.447 -9.359 4.955 1.00 35.14 N ATOM 1853 CA ASN A 115 -20.314 -10.205 4.155 1.00 5.22 C ATOM 1854 C ASN A 115 -21.674 -9.542 3.975 1.00 21.03 C ATOM 1855 O ASN A 115 -22.239 -8.958 4.903 1.00 4.33 O ATOM 1856 CB ASN A 115 -20.454 -11.599 4.791 1.00 44.13 C ATOM 1857 CG ASN A 115 -20.928 -11.564 6.236 1.00 31.54 C ATOM 1858 OD1 ASN A 115 -22.122 -11.611 6.511 1.00 34.02 O ATOM 1859 ND2 ASN A 115 -20.026 -11.570 7.203 1.00 43.23 N ATOM 0 H ASN A 115 -19.944 -8.668 5.516 1.00 35.14 H new ATOM 0 HA ASN A 115 -19.865 -10.335 3.171 1.00 5.22 H new ATOM 0 HB2 ASN A 115 -21.155 -12.189 4.201 1.00 44.13 H new ATOM 0 HB3 ASN A 115 -19.491 -12.108 4.745 1.00 44.13 H new ATOM 0 HD21 ASN A 115 -20.324 -11.614 8.178 1.00 43.23 H new ATOM 0 HD22 ASN A 115 -19.033 -11.531 6.974 1.00 43.23 H new ATOM 1866 N LYS A 116 -22.199 -9.612 2.753 1.00 31.41 N ATOM 1867 CA LYS A 116 -23.479 -9.103 2.297 1.00 73.04 C ATOM 1868 C LYS A 116 -23.892 -9.908 1.068 1.00 41.03 C ATOM 1869 O LYS A 116 -23.092 -10.723 0.594 1.00 10.41 O ATOM 1870 CB LYS A 116 -23.385 -7.594 2.019 1.00 34.02 C ATOM 1871 CG LYS A 116 -22.365 -7.066 0.991 1.00 31.41 C ATOM 1872 CD LYS A 116 -22.635 -7.559 -0.438 1.00 64.23 C ATOM 1873 CE LYS A 116 -22.054 -6.634 -1.507 1.00 31.45 C ATOM 1874 NZ LYS A 116 -22.319 -7.170 -2.857 1.00 1.33 N ATOM 0 H LYS A 116 -21.690 -10.067 1.995 1.00 31.41 H new ATOM 0 HA LYS A 116 -24.246 -9.221 3.063 1.00 73.04 H new ATOM 0 HB2 LYS A 116 -24.372 -7.260 1.698 1.00 34.02 H new ATOM 0 HB3 LYS A 116 -23.175 -7.101 2.968 1.00 34.02 H new ATOM 0 HG2 LYS A 116 -22.380 -5.976 1.001 1.00 31.41 H new ATOM 0 HG3 LYS A 116 -21.364 -7.374 1.291 1.00 31.41 H new ATOM 0 HD2 LYS A 116 -22.212 -8.556 -0.559 1.00 64.23 H new ATOM 0 HD3 LYS A 116 -23.711 -7.649 -0.589 1.00 64.23 H new ATOM 0 HE2 LYS A 116 -22.491 -5.640 -1.412 1.00 31.45 H new ATOM 0 HE3 LYS A 116 -20.980 -6.526 -1.357 1.00 31.45 H new ATOM 0 HZ1 LYS A 116 -21.917 -6.529 -3.570 1.00 1.33 H new ATOM 0 HZ2 LYS A 116 -21.881 -8.109 -2.950 1.00 1.33 H new ATOM 0 HZ3 LYS A 116 -23.346 -7.251 -3.003 1.00 1.33 H new ATOM 1888 N LYS A 117 -25.103 -9.708 0.555 1.00 0.13 N ATOM 1889 CA LYS A 117 -25.677 -10.347 -0.632 1.00 4.32 C ATOM 1890 C LYS A 117 -27.023 -9.658 -0.875 1.00 2.32 C ATOM 1891 O LYS A 117 -27.434 -8.812 -0.078 1.00 11.02 O ATOM 1892 CB LYS A 117 -25.839 -11.873 -0.414 1.00 12.15 C ATOM 1893 CG LYS A 117 -26.362 -12.628 -1.650 1.00 43.33 C ATOM 1894 CD LYS A 117 -26.126 -14.138 -1.570 1.00 60.11 C ATOM 1895 CE LYS A 117 -27.034 -14.814 -0.537 1.00 32.43 C ATOM 1896 NZ LYS A 117 -26.810 -16.272 -0.512 1.00 34.03 N ATOM 0 H LYS A 117 -25.755 -9.052 0.984 1.00 0.13 H new ATOM 0 HA LYS A 117 -25.028 -10.239 -1.501 1.00 4.32 H new ATOM 0 HB2 LYS A 117 -24.876 -12.293 -0.125 1.00 12.15 H new ATOM 0 HB3 LYS A 117 -26.523 -12.041 0.418 1.00 12.15 H new ATOM 0 HG2 LYS A 117 -27.430 -12.438 -1.761 1.00 43.33 H new ATOM 0 HG3 LYS A 117 -25.874 -12.236 -2.542 1.00 43.33 H new ATOM 0 HD2 LYS A 117 -26.300 -14.583 -2.550 1.00 60.11 H new ATOM 0 HD3 LYS A 117 -25.084 -14.328 -1.314 1.00 60.11 H new ATOM 0 HE2 LYS A 117 -26.842 -14.396 0.451 1.00 32.43 H new ATOM 0 HE3 LYS A 117 -28.078 -14.607 -0.773 1.00 32.43 H new ATOM 0 HZ1 LYS A 117 -27.436 -16.707 0.195 1.00 34.03 H new ATOM 0 HZ2 LYS A 117 -27.017 -16.671 -1.450 1.00 34.03 H new ATOM 0 HZ3 LYS A 117 -25.819 -16.467 -0.264 1.00 34.03 H new ATOM 1910 N SER A 118 -27.677 -9.936 -1.998 1.00 14.42 N ATOM 1911 CA SER A 118 -28.988 -9.409 -2.334 1.00 55.34 C ATOM 1912 C SER A 118 -29.782 -10.614 -2.822 1.00 60.44 C ATOM 1913 O SER A 118 -30.404 -11.277 -1.995 1.00 62.13 O ATOM 1914 CB SER A 118 -28.949 -8.211 -3.291 1.00 72.21 C ATOM 1915 OG SER A 118 -28.244 -8.451 -4.496 1.00 1.33 O ATOM 0 H SER A 118 -27.296 -10.551 -2.717 1.00 14.42 H new ATOM 0 HA SER A 118 -29.480 -8.958 -1.472 1.00 55.34 H new ATOM 0 HB2 SER A 118 -29.971 -7.921 -3.533 1.00 72.21 H new ATOM 0 HB3 SER A 118 -28.491 -7.366 -2.778 1.00 72.21 H new ATOM 0 HG SER A 118 -28.264 -7.645 -5.053 1.00 1.33 H new ATOM 1921 N GLN A 119 -29.602 -10.981 -4.099 1.00 65.11 N ATOM 1922 CA GLN A 119 -30.270 -12.094 -4.774 1.00 4.33 C ATOM 1923 C GLN A 119 -31.784 -11.945 -4.583 1.00 70.20 C ATOM 1924 O GLN A 119 -32.456 -12.781 -3.987 1.00 21.34 O ATOM 1925 CB GLN A 119 -29.671 -13.448 -4.346 1.00 61.11 C ATOM 1926 CG GLN A 119 -28.202 -13.619 -4.780 1.00 3.44 C ATOM 1927 CD GLN A 119 -28.064 -13.773 -6.293 1.00 32.31 C ATOM 1928 OE1 GLN A 119 -28.287 -14.855 -6.831 1.00 51.23 O ATOM 1929 NE2 GLN A 119 -27.705 -12.722 -7.010 1.00 52.34 N ATOM 0 H GLN A 119 -28.957 -10.485 -4.714 1.00 65.11 H new ATOM 0 HA GLN A 119 -30.093 -12.068 -5.849 1.00 4.33 H new ATOM 0 HB2 GLN A 119 -29.738 -13.542 -3.262 1.00 61.11 H new ATOM 0 HB3 GLN A 119 -30.267 -14.254 -4.773 1.00 61.11 H new ATOM 0 HG2 GLN A 119 -27.624 -12.756 -4.450 1.00 3.44 H new ATOM 0 HG3 GLN A 119 -27.778 -14.494 -4.287 1.00 3.44 H new ATOM 0 HE21 GLN A 119 -27.523 -11.830 -6.551 1.00 52.34 H new ATOM 0 HE22 GLN A 119 -27.610 -12.804 -8.022 1.00 52.34 H new ATOM 1938 N ASP A 120 -32.267 -10.812 -5.086 1.00 73.54 N ATOM 1939 CA ASP A 120 -33.635 -10.308 -5.098 1.00 61.40 C ATOM 1940 C ASP A 120 -33.978 -10.018 -6.551 1.00 63.41 C ATOM 1941 O ASP A 120 -33.104 -9.600 -7.321 1.00 23.32 O ATOM 1942 CB ASP A 120 -33.701 -9.023 -4.253 1.00 13.40 C ATOM 1943 CG ASP A 120 -34.554 -7.883 -4.832 1.00 41.23 C ATOM 1944 OD1 ASP A 120 -35.797 -8.018 -4.834 1.00 13.24 O ATOM 1945 OD2 ASP A 120 -33.945 -6.858 -5.215 1.00 31.43 O ATOM 0 H ASP A 120 -31.638 -10.153 -5.546 1.00 73.54 H new ATOM 0 HA ASP A 120 -34.341 -11.024 -4.678 1.00 61.40 H new ATOM 0 HB2 ASP A 120 -34.091 -9.279 -3.268 1.00 13.40 H new ATOM 0 HB3 ASP A 120 -32.686 -8.654 -4.108 1.00 13.40 H new ATOM 1950 N LEU A 121 -35.217 -10.319 -6.926 1.00 63.22 N ATOM 1951 CA LEU A 121 -35.792 -10.128 -8.239 1.00 25.35 C ATOM 1952 C LEU A 121 -37.317 -10.090 -8.125 1.00 21.32 C ATOM 1953 O LEU A 121 -37.874 -10.479 -7.096 1.00 24.25 O ATOM 1954 CB LEU A 121 -35.331 -11.251 -9.186 1.00 13.31 C ATOM 1955 CG LEU A 121 -35.872 -12.684 -8.955 1.00 13.41 C ATOM 1956 CD1 LEU A 121 -35.849 -13.222 -7.518 1.00 20.40 C ATOM 1957 CD2 LEU A 121 -37.247 -12.944 -9.587 1.00 71.33 C ATOM 0 H LEU A 121 -35.884 -10.729 -6.273 1.00 63.22 H new ATOM 0 HA LEU A 121 -35.452 -9.180 -8.655 1.00 25.35 H new ATOM 0 HB2 LEU A 121 -35.596 -10.957 -10.202 1.00 13.31 H new ATOM 0 HB3 LEU A 121 -34.243 -11.297 -9.141 1.00 13.31 H new ATOM 0 HG LEU A 121 -35.117 -13.260 -9.489 1.00 13.41 H new ATOM 0 HD11 LEU A 121 -36.255 -14.233 -7.502 1.00 20.40 H new ATOM 0 HD12 LEU A 121 -34.823 -13.237 -7.152 1.00 20.40 H new ATOM 0 HD13 LEU A 121 -36.453 -12.578 -6.879 1.00 20.40 H new ATOM 0 HD21 LEU A 121 -37.555 -13.969 -9.380 1.00 71.33 H new ATOM 0 HD22 LEU A 121 -37.978 -12.254 -9.165 1.00 71.33 H new ATOM 0 HD23 LEU A 121 -37.186 -12.794 -10.665 1.00 71.33 H new ATOM 1969 N LYS A 122 -37.988 -9.645 -9.186 1.00 65.45 N ATOM 1970 CA LYS A 122 -39.431 -9.519 -9.345 1.00 31.31 C ATOM 1971 C LYS A 122 -39.682 -9.155 -10.804 1.00 4.32 C ATOM 1972 O LYS A 122 -40.870 -9.123 -11.182 1.00 12.04 O ATOM 1973 CB LYS A 122 -40.003 -8.441 -8.411 1.00 41.25 C ATOM 1974 CG LYS A 122 -39.385 -7.063 -8.687 1.00 21.14 C ATOM 1975 CD LYS A 122 -39.838 -6.047 -7.646 1.00 52.22 C ATOM 1976 CE LYS A 122 -39.124 -4.735 -7.966 1.00 5.43 C ATOM 1977 NZ LYS A 122 -39.359 -3.723 -6.919 1.00 54.44 N ATOM 0 H LYS A 122 -37.493 -9.339 -10.024 1.00 65.45 H new ATOM 0 HA LYS A 122 -39.927 -10.453 -9.082 1.00 31.31 H new ATOM 0 HB2 LYS A 122 -41.084 -8.387 -8.538 1.00 41.25 H new ATOM 0 HB3 LYS A 122 -39.817 -8.722 -7.374 1.00 41.25 H new ATOM 0 HG2 LYS A 122 -38.298 -7.139 -8.678 1.00 21.14 H new ATOM 0 HG3 LYS A 122 -39.673 -6.723 -9.682 1.00 21.14 H new ATOM 0 HD2 LYS A 122 -40.920 -5.916 -7.679 1.00 52.22 H new ATOM 0 HD3 LYS A 122 -39.589 -6.387 -6.641 1.00 52.22 H new ATOM 0 HE2 LYS A 122 -38.054 -4.917 -8.065 1.00 5.43 H new ATOM 0 HE3 LYS A 122 -39.472 -4.355 -8.926 1.00 5.43 H new ATOM 0 HZ1 LYS A 122 -38.860 -2.845 -7.167 1.00 54.44 H new ATOM 0 HZ2 LYS A 122 -40.379 -3.533 -6.843 1.00 54.44 H new ATOM 0 HZ3 LYS A 122 -39.004 -4.077 -6.008 1.00 54.44 H new TER 1991 LYS A 122