USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 732 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0375 K(o=-0.037,f=-2.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.666 X(o=-0.67,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0973) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 73:sc= 0.187 USER MOD Single : A 25 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-1.1) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.55! X(o=-1.6!,f=-1.5) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -0.0413 K(o=-0.041,f=-2.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.22) USER MOD Single : B 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0859) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 75:sc= 0.189 USER MOD Single : B 25 HIS : no HD1:sc= -0.287 K(o=-0.29,f=-0.79) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -1.55! X(o=-1.6!,f=-1.5) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.205 -18.445 -19.553 1.00 0.77 N ATOM 2 CA GLY A 1 130.901 -18.470 -18.832 1.00 0.81 C ATOM 3 C GLY A 1 130.625 -17.176 -18.088 1.00 0.65 C ATOM 4 O GLY A 1 130.106 -16.220 -18.668 1.00 0.70 O ATOM 0 H1 GLY A 1 132.347 -19.350 -20.045 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.203 -17.670 -20.247 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.976 -18.297 -18.871 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.098 -18.654 -19.546 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.896 -19.300 -18.126 1.00 0.81 H new ATOM 10 N SER A 2 130.976 -17.147 -16.802 1.00 0.55 N ATOM 11 CA SER A 2 130.769 -15.960 -15.971 1.00 0.48 C ATOM 12 C SER A 2 132.080 -15.219 -15.699 1.00 0.47 C ATOM 13 O SER A 2 132.075 -14.192 -15.020 1.00 0.71 O ATOM 14 CB SER A 2 130.103 -16.347 -14.648 1.00 0.54 C ATOM 15 OG SER A 2 128.716 -16.582 -14.823 1.00 0.67 O ATOM 0 H SER A 2 131.405 -17.932 -16.313 1.00 0.55 H new ATOM 0 HA SER A 2 130.114 -15.286 -16.523 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.578 -17.242 -14.246 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.251 -15.552 -13.917 1.00 0.54 H new ATOM 0 HG SER A 2 128.315 -16.829 -13.964 1.00 0.67 H new ATOM 21 N LEU A 3 133.193 -15.716 -16.251 1.00 0.38 N ATOM 22 CA LEU A 3 134.488 -15.057 -16.078 1.00 0.43 C ATOM 23 C LEU A 3 134.667 -14.018 -17.184 1.00 0.53 C ATOM 24 O LEU A 3 135.617 -14.069 -17.968 1.00 0.88 O ATOM 25 CB LEU A 3 135.656 -16.066 -16.085 1.00 0.48 C ATOM 26 CG LEU A 3 135.274 -17.550 -16.151 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.483 -18.392 -16.532 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.695 -18.019 -14.823 1.00 1.42 C ATOM 0 H LEU A 3 133.221 -16.565 -16.816 1.00 0.38 H new ATOM 0 HA LEU A 3 134.501 -14.569 -15.104 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.298 -15.840 -16.937 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.251 -15.906 -15.186 1.00 0.48 H new ATOM 0 HG LEU A 3 134.509 -17.673 -16.918 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.196 -19.443 -16.575 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.853 -18.077 -17.508 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.268 -18.260 -15.787 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.431 -19.074 -14.893 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.435 -17.882 -14.035 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.804 -17.437 -14.589 1.00 1.42 H new ATOM 40 N THR A 4 133.717 -13.087 -17.242 1.00 0.41 N ATOM 41 CA THR A 4 133.709 -12.031 -18.245 1.00 0.49 C ATOM 42 C THR A 4 133.281 -10.706 -17.609 1.00 0.39 C ATOM 43 O THR A 4 133.410 -10.529 -16.399 1.00 0.39 O ATOM 44 CB THR A 4 132.770 -12.417 -19.398 1.00 0.65 C ATOM 45 OG1 THR A 4 131.467 -12.699 -18.916 1.00 0.64 O ATOM 46 CG2 THR A 4 133.245 -13.627 -20.176 1.00 0.80 C ATOM 0 H THR A 4 132.931 -13.046 -16.593 1.00 0.41 H new ATOM 0 HA THR A 4 134.714 -11.905 -18.647 1.00 0.49 H new ATOM 0 HB THR A 4 132.764 -11.555 -20.065 1.00 0.65 H new ATOM 0 HG1 THR A 4 130.886 -12.941 -19.667 1.00 0.64 H new ATOM 0 HG21 THR A 4 132.537 -13.846 -20.976 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.225 -13.421 -20.606 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.314 -14.485 -19.507 1.00 0.80 H new ATOM 54 N TYR A 5 132.812 -9.768 -18.432 1.00 0.48 N ATOM 55 CA TYR A 5 132.391 -8.437 -17.971 1.00 0.46 C ATOM 56 C TYR A 5 131.576 -8.465 -16.670 1.00 0.42 C ATOM 57 O TYR A 5 131.728 -7.574 -15.831 1.00 0.47 O ATOM 58 CB TYR A 5 131.579 -7.747 -19.071 1.00 0.59 C ATOM 59 CG TYR A 5 131.556 -6.238 -18.960 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.701 -5.486 -19.192 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.387 -5.567 -18.627 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.681 -4.108 -19.095 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.358 -4.189 -18.528 1.00 0.90 C ATOM 64 CZ TYR A 5 131.507 -3.465 -18.763 1.00 0.65 C ATOM 65 OH TYR A 5 131.482 -2.092 -18.667 1.00 0.79 O ATOM 0 H TYR A 5 132.712 -9.906 -19.438 1.00 0.48 H new ATOM 0 HA TYR A 5 133.303 -7.880 -17.754 1.00 0.46 H new ATOM 0 HB2 TYR A 5 131.991 -8.024 -20.041 1.00 0.59 H new ATOM 0 HB3 TYR A 5 130.555 -8.120 -19.041 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.622 -5.987 -19.452 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.485 -6.132 -18.442 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.580 -3.538 -19.278 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.440 -3.682 -18.268 1.00 0.90 H new ATOM 0 HH TYR A 5 130.579 -1.797 -18.426 1.00 0.79 H new ATOM 75 N GLU A 6 130.712 -9.470 -16.498 1.00 0.48 N ATOM 76 CA GLU A 6 129.887 -9.573 -15.288 1.00 0.50 C ATOM 77 C GLU A 6 130.711 -10.001 -14.067 1.00 0.38 C ATOM 78 O GLU A 6 130.261 -9.854 -12.929 1.00 0.47 O ATOM 79 CB GLU A 6 128.743 -10.567 -15.510 1.00 0.60 C ATOM 80 CG GLU A 6 127.613 -10.018 -16.368 1.00 0.65 C ATOM 81 CD GLU A 6 126.708 -11.109 -16.907 1.00 0.82 C ATOM 82 OE1 GLU A 6 127.020 -11.661 -17.984 1.00 1.16 O ATOM 83 OE2 GLU A 6 125.689 -11.413 -16.252 1.00 0.99 O ATOM 0 H GLU A 6 130.565 -10.219 -17.175 1.00 0.48 H new ATOM 0 HA GLU A 6 129.480 -8.582 -15.088 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.141 -11.466 -15.981 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.340 -10.866 -14.542 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.021 -9.318 -15.778 1.00 0.65 H new ATOM 0 HG3 GLU A 6 128.034 -9.456 -17.201 1.00 0.65 H new ATOM 90 N GLU A 7 131.914 -10.527 -14.306 1.00 0.30 N ATOM 91 CA GLU A 7 132.791 -10.970 -13.227 1.00 0.29 C ATOM 92 C GLU A 7 133.565 -9.800 -12.631 1.00 0.28 C ATOM 93 O GLU A 7 133.600 -9.636 -11.411 1.00 0.46 O ATOM 94 CB GLU A 7 133.776 -12.028 -13.731 1.00 0.40 C ATOM 95 CG GLU A 7 134.177 -13.040 -12.669 1.00 0.56 C ATOM 96 CD GLU A 7 135.306 -12.541 -11.784 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.470 -12.563 -12.237 1.00 1.01 O ATOM 98 OE2 GLU A 7 135.025 -12.128 -10.639 1.00 0.81 O ATOM 0 H GLU A 7 132.301 -10.656 -15.241 1.00 0.30 H new ATOM 0 HA GLU A 7 132.161 -11.405 -12.451 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.330 -12.556 -14.574 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.671 -11.531 -14.104 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.311 -13.274 -12.050 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.483 -13.968 -13.153 1.00 0.56 H new ATOM 105 N VAL A 8 134.181 -8.984 -13.493 1.00 0.34 N ATOM 106 CA VAL A 8 134.955 -7.829 -13.042 1.00 0.36 C ATOM 107 C VAL A 8 134.056 -6.756 -12.427 1.00 0.28 C ATOM 108 O VAL A 8 134.452 -6.086 -11.473 1.00 0.39 O ATOM 109 CB VAL A 8 135.779 -7.215 -14.199 1.00 0.54 C ATOM 110 CG1 VAL A 8 134.871 -6.607 -15.261 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.760 -6.180 -13.668 1.00 0.77 C ATOM 0 H VAL A 8 134.157 -9.104 -14.506 1.00 0.34 H new ATOM 0 HA VAL A 8 135.641 -8.190 -12.276 1.00 0.36 H new ATOM 0 HB VAL A 8 136.348 -8.017 -14.669 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.479 -6.184 -16.061 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.221 -7.380 -15.670 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.263 -5.821 -14.813 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.330 -5.760 -14.497 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.212 -5.384 -13.164 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.442 -6.654 -12.962 1.00 0.77 H new ATOM 121 N LEU A 9 132.851 -6.591 -12.982 1.00 0.36 N ATOM 122 CA LEU A 9 131.904 -5.594 -12.481 1.00 0.49 C ATOM 123 C LEU A 9 131.683 -5.759 -10.978 1.00 0.53 C ATOM 124 O LEU A 9 131.748 -4.785 -10.226 1.00 0.73 O ATOM 125 CB LEU A 9 130.568 -5.697 -13.224 1.00 0.66 C ATOM 126 CG LEU A 9 130.335 -4.623 -14.290 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.130 -4.974 -15.149 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.153 -3.257 -13.641 1.00 0.72 C ATOM 0 H LEU A 9 132.511 -7.134 -13.776 1.00 0.36 H new ATOM 0 HA LEU A 9 132.330 -4.607 -12.661 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.508 -6.677 -13.698 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.759 -5.645 -12.495 1.00 0.66 H new ATOM 0 HG LEU A 9 131.213 -4.582 -14.934 1.00 0.65 H new ATOM 0 HD11 LEU A 9 128.981 -4.199 -15.901 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.302 -5.930 -15.643 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.243 -5.045 -14.520 1.00 0.86 H new ATOM 0 HD21 LEU A 9 129.989 -2.506 -14.414 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.293 -3.284 -12.972 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.047 -3.002 -13.072 1.00 0.72 H new ATOM 140 N GLN A 10 131.425 -6.998 -10.546 1.00 0.42 N ATOM 141 CA GLN A 10 131.199 -7.291 -9.129 1.00 0.49 C ATOM 142 C GLN A 10 132.471 -7.092 -8.297 1.00 0.43 C ATOM 143 O GLN A 10 132.394 -6.891 -7.085 1.00 0.50 O ATOM 144 CB GLN A 10 130.679 -8.722 -8.960 1.00 0.60 C ATOM 145 CG GLN A 10 129.160 -8.819 -8.953 1.00 0.69 C ATOM 146 CD GLN A 10 128.558 -8.478 -7.601 1.00 0.82 C ATOM 147 OE1 GLN A 10 128.864 -7.438 -7.017 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.695 -9.353 -7.095 1.00 0.84 N ATOM 0 H GLN A 10 131.368 -7.812 -11.158 1.00 0.42 H new ATOM 0 HA GLN A 10 130.450 -6.589 -8.764 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.071 -9.340 -9.768 1.00 0.60 H new ATOM 0 HB3 GLN A 10 131.066 -9.133 -8.027 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.753 -8.146 -9.708 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.863 -9.829 -9.234 1.00 0.69 H new ATOM 0 HE21 GLN A 10 127.469 -10.203 -7.611 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.259 -9.174 -6.190 1.00 0.84 H new ATOM 157 N GLU A 11 133.635 -7.124 -8.954 1.00 0.41 N ATOM 158 CA GLU A 11 134.914 -6.920 -8.271 1.00 0.44 C ATOM 159 C GLU A 11 135.189 -5.426 -8.100 1.00 0.40 C ATOM 160 O GLU A 11 135.809 -5.007 -7.122 1.00 0.56 O ATOM 161 CB GLU A 11 136.057 -7.573 -9.054 1.00 0.52 C ATOM 162 CG GLU A 11 135.842 -9.053 -9.333 1.00 0.63 C ATOM 163 CD GLU A 11 137.142 -9.806 -9.535 1.00 1.02 C ATOM 164 OE1 GLU A 11 137.785 -10.163 -8.526 1.00 1.54 O ATOM 165 OE2 GLU A 11 137.515 -10.042 -10.704 1.00 1.64 O ATOM 0 H GLU A 11 133.717 -7.289 -9.957 1.00 0.41 H new ATOM 0 HA GLU A 11 134.854 -7.387 -7.288 1.00 0.44 H new ATOM 0 HB2 GLU A 11 136.182 -7.049 -10.001 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.985 -7.449 -8.496 1.00 0.52 H new ATOM 0 HG2 GLU A 11 135.294 -9.499 -8.503 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.221 -9.164 -10.222 1.00 0.63 H new ATOM 172 N LEU A 12 134.703 -4.629 -9.057 1.00 0.34 N ATOM 173 CA LEU A 12 134.873 -3.180 -9.017 1.00 0.34 C ATOM 174 C LEU A 12 134.098 -2.600 -7.839 1.00 0.31 C ATOM 175 O LEU A 12 134.676 -1.951 -6.966 1.00 0.39 O ATOM 176 CB LEU A 12 134.401 -2.544 -10.331 1.00 0.36 C ATOM 177 CG LEU A 12 135.100 -1.234 -10.721 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.726 -0.116 -9.758 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.611 -1.421 -10.766 1.00 0.59 C ATOM 0 H LEU A 12 134.188 -4.968 -9.869 1.00 0.34 H new ATOM 0 HA LEU A 12 135.932 -2.955 -8.891 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.545 -3.265 -11.135 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.330 -2.356 -10.259 1.00 0.36 H new ATOM 0 HG LEU A 12 134.761 -0.953 -11.718 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.232 0.803 -10.053 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.648 0.040 -9.783 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.030 -0.389 -8.748 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.086 -0.480 -11.044 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.969 -1.731 -9.784 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.861 -2.185 -11.502 1.00 0.59 H new ATOM 191 N VAL A 13 132.784 -2.841 -7.823 1.00 0.26 N ATOM 192 CA VAL A 13 131.929 -2.345 -6.750 1.00 0.26 C ATOM 193 C VAL A 13 132.443 -2.809 -5.382 1.00 0.22 C ATOM 194 O VAL A 13 132.671 -1.981 -4.499 1.00 0.24 O ATOM 195 CB VAL A 13 130.448 -2.764 -6.943 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.283 -4.277 -6.914 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.564 -2.110 -5.891 1.00 0.53 C ATOM 0 H VAL A 13 132.294 -3.375 -8.540 1.00 0.26 H new ATOM 0 HA VAL A 13 131.969 -1.256 -6.789 1.00 0.26 H new ATOM 0 HB VAL A 13 130.135 -2.417 -7.928 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.232 -4.531 -7.052 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.873 -4.723 -7.715 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.626 -4.662 -5.954 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.529 -2.417 -6.044 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.891 -2.418 -4.898 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.638 -1.026 -5.977 1.00 0.53 H new ATOM 207 N LYS A 14 132.616 -4.131 -5.206 1.00 0.24 N ATOM 208 CA LYS A 14 133.097 -4.700 -3.941 1.00 0.23 C ATOM 209 C LYS A 14 134.236 -3.881 -3.342 1.00 0.21 C ATOM 210 O LYS A 14 134.253 -3.629 -2.136 1.00 0.28 O ATOM 211 CB LYS A 14 133.564 -6.142 -4.155 1.00 0.30 C ATOM 212 CG LYS A 14 133.233 -7.072 -3.000 1.00 0.84 C ATOM 213 CD LYS A 14 133.968 -8.397 -3.125 1.00 0.68 C ATOM 214 CE LYS A 14 133.533 -9.379 -2.048 1.00 0.73 C ATOM 215 NZ LYS A 14 133.097 -10.683 -2.622 1.00 0.75 N ATOM 0 H LYS A 14 132.428 -4.825 -5.929 1.00 0.24 H new ATOM 0 HA LYS A 14 132.263 -4.680 -3.240 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.107 -6.531 -5.065 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.642 -6.145 -4.314 1.00 0.30 H new ATOM 0 HG2 LYS A 14 133.500 -6.594 -2.058 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.158 -7.252 -2.972 1.00 0.84 H new ATOM 0 HD2 LYS A 14 133.780 -8.827 -4.109 1.00 0.68 H new ATOM 0 HD3 LYS A 14 135.042 -8.227 -3.052 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.358 -9.546 -1.356 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.716 -8.946 -1.472 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.809 -11.322 -1.853 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.293 -10.529 -3.263 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.884 -11.110 -3.151 1.00 0.75 H new ATOM 229 N HIS A 15 135.181 -3.461 -4.187 1.00 0.25 N ATOM 230 CA HIS A 15 136.311 -2.662 -3.726 1.00 0.27 C ATOM 231 C HIS A 15 135.810 -1.363 -3.105 1.00 0.23 C ATOM 232 O HIS A 15 135.947 -1.155 -1.900 1.00 0.43 O ATOM 233 CB HIS A 15 137.272 -2.366 -4.881 1.00 0.33 C ATOM 234 CG HIS A 15 138.133 -3.532 -5.256 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.360 -3.396 -5.868 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.938 -4.863 -5.102 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.883 -4.591 -6.075 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.040 -5.498 -5.619 1.00 0.72 N ATOM 0 H HIS A 15 135.184 -3.661 -5.187 1.00 0.25 H new ATOM 0 HA HIS A 15 136.854 -3.230 -2.970 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.695 -2.055 -5.752 1.00 0.33 H new ATOM 0 HB3 HIS A 15 137.911 -1.527 -4.606 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.076 -5.337 -4.656 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.838 -4.792 -6.538 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.184 -6.507 -5.646 1.00 0.72 H new ATOM 247 N LYS A 16 135.242 -0.487 -3.937 1.00 0.21 N ATOM 248 CA LYS A 16 134.722 0.804 -3.481 1.00 0.25 C ATOM 249 C LYS A 16 133.875 0.679 -2.213 1.00 0.32 C ATOM 250 O LYS A 16 133.986 1.516 -1.317 1.00 0.62 O ATOM 251 CB LYS A 16 133.890 1.456 -4.590 1.00 0.37 C ATOM 252 CG LYS A 16 134.719 2.247 -5.590 1.00 0.50 C ATOM 253 CD LYS A 16 134.178 2.103 -7.005 1.00 0.57 C ATOM 254 CE LYS A 16 133.169 3.193 -7.334 1.00 0.59 C ATOM 255 NZ LYS A 16 131.850 2.953 -6.681 1.00 0.66 N ATOM 0 H LYS A 16 135.130 -0.650 -4.938 1.00 0.21 H new ATOM 0 HA LYS A 16 135.583 1.428 -3.241 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.338 0.681 -5.121 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.153 2.119 -4.137 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.724 3.300 -5.307 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.753 1.904 -5.559 1.00 0.50 H new ATOM 0 HD2 LYS A 16 135.003 2.144 -7.716 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.708 1.126 -7.118 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.561 4.158 -7.013 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.034 3.247 -8.414 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.148 3.618 -7.062 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.541 1.978 -6.870 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.940 3.095 -5.655 1.00 0.66 H new ATOM 269 N GLU A 17 133.032 -0.358 -2.132 1.00 0.32 N ATOM 270 CA GLU A 17 132.177 -0.565 -0.960 1.00 0.39 C ATOM 271 C GLU A 17 133.000 -0.984 0.258 1.00 0.32 C ATOM 272 O GLU A 17 132.680 -0.610 1.388 1.00 0.40 O ATOM 273 CB GLU A 17 131.112 -1.625 -1.266 1.00 0.51 C ATOM 274 CG GLU A 17 130.192 -1.931 -0.093 1.00 0.80 C ATOM 275 CD GLU A 17 130.472 -3.286 0.530 1.00 1.08 C ATOM 276 OE1 GLU A 17 131.309 -3.355 1.456 1.00 1.47 O ATOM 277 OE2 GLU A 17 129.855 -4.280 0.090 1.00 1.43 O ATOM 0 H GLU A 17 132.925 -1.063 -2.861 1.00 0.32 H new ATOM 0 HA GLU A 17 131.687 0.380 -0.728 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.509 -1.288 -2.109 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.608 -2.545 -1.576 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.306 -1.156 0.665 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.156 -1.897 -0.430 1.00 0.80 H new ATOM 284 N LEU A 18 134.075 -1.739 0.021 1.00 0.32 N ATOM 285 CA LEU A 18 134.954 -2.177 1.102 1.00 0.34 C ATOM 286 C LEU A 18 135.670 -0.970 1.699 1.00 0.33 C ATOM 287 O LEU A 18 135.818 -0.862 2.918 1.00 0.66 O ATOM 288 CB LEU A 18 135.972 -3.204 0.594 1.00 0.53 C ATOM 289 CG LEU A 18 135.486 -4.655 0.602 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.429 -5.539 -0.200 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.355 -5.166 2.032 1.00 0.79 C ATOM 0 H LEU A 18 134.355 -2.058 -0.907 1.00 0.32 H new ATOM 0 HA LEU A 18 134.351 -2.655 1.874 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.257 -2.938 -0.424 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.872 -3.135 1.206 1.00 0.53 H new ATOM 0 HG LEU A 18 134.503 -4.692 0.133 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.067 -6.567 -0.183 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.470 -5.186 -1.230 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.426 -5.498 0.238 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.008 -6.199 2.019 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.325 -5.115 2.527 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.638 -4.550 2.574 1.00 0.79 H new ATOM 303 N LEU A 19 136.083 -0.048 0.824 1.00 0.43 N ATOM 304 CA LEU A 19 136.754 1.177 1.245 1.00 0.44 C ATOM 305 C LEU A 19 135.771 2.093 1.975 1.00 0.30 C ATOM 306 O LEU A 19 136.149 2.799 2.912 1.00 0.45 O ATOM 307 CB LEU A 19 137.345 1.907 0.034 1.00 0.57 C ATOM 308 CG LEU A 19 138.864 1.795 -0.116 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.274 1.991 -1.569 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.564 2.808 0.781 1.00 0.94 C ATOM 0 H LEU A 19 135.961 -0.132 -0.185 1.00 0.43 H new ATOM 0 HA LEU A 19 137.564 0.911 1.924 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.877 1.517 -0.870 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.079 2.962 0.100 1.00 0.57 H new ATOM 0 HG LEU A 19 139.168 0.795 0.193 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.357 1.908 -1.656 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.801 1.228 -2.187 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.958 2.978 -1.906 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.643 2.715 0.662 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.254 3.815 0.503 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.296 2.620 1.821 1.00 0.94 H new ATOM 322 N ARG A 20 134.505 2.071 1.539 1.00 0.32 N ATOM 323 CA ARG A 20 133.465 2.892 2.153 1.00 0.50 C ATOM 324 C ARG A 20 133.254 2.489 3.608 1.00 0.40 C ATOM 325 O ARG A 20 133.439 3.308 4.510 1.00 0.47 O ATOM 326 CB ARG A 20 132.147 2.768 1.379 1.00 0.78 C ATOM 327 CG ARG A 20 132.171 3.440 0.015 1.00 0.89 C ATOM 328 CD ARG A 20 131.117 4.531 -0.091 1.00 0.98 C ATOM 329 NE ARG A 20 131.632 5.835 0.332 1.00 1.06 N ATOM 330 CZ ARG A 20 131.380 6.988 -0.299 1.00 1.17 C ATOM 331 NH1 ARG A 20 130.612 7.015 -1.388 1.00 1.74 N ATOM 332 NH2 ARG A 20 131.898 8.121 0.163 1.00 1.60 N ATOM 0 H ARG A 20 134.181 1.493 0.764 1.00 0.32 H new ATOM 0 HA ARG A 20 133.792 3.931 2.119 1.00 0.50 H new ATOM 0 HB2 ARG A 20 131.911 1.712 1.249 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.344 3.204 1.974 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.158 3.868 -0.163 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.002 2.694 -0.762 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.766 4.597 -1.121 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.257 4.265 0.523 1.00 0.98 H new ATOM 0 HE ARG A 20 132.222 5.867 1.163 1.00 1.06 H new ATOM 0 HH11 ARG A 20 130.209 6.151 -1.749 1.00 1.74 H new ATOM 0 HH12 ARG A 20 130.427 7.900 -1.860 1.00 1.74 H new ATOM 0 HH21 ARG A 20 132.486 8.110 0.996 1.00 1.60 H new ATOM 0 HH22 ARG A 20 131.708 9.001 -0.316 1.00 1.60 H new ATOM 346 N ARG A 21 132.869 1.226 3.839 1.00 0.36 N ATOM 347 CA ARG A 21 132.637 0.723 5.193 1.00 0.37 C ATOM 348 C ARG A 21 133.861 0.932 6.082 1.00 0.35 C ATOM 349 O ARG A 21 133.721 1.246 7.260 1.00 0.49 O ATOM 350 CB ARG A 21 132.275 -0.767 5.148 1.00 0.47 C ATOM 351 CG ARG A 21 131.198 -1.168 6.145 1.00 0.71 C ATOM 352 CD ARG A 21 130.920 -2.664 6.095 1.00 0.94 C ATOM 353 NE ARG A 21 130.601 -3.210 7.414 1.00 0.95 N ATOM 354 CZ ARG A 21 131.508 -3.458 8.365 1.00 1.19 C ATOM 355 NH1 ARG A 21 132.799 -3.213 8.151 1.00 2.03 N ATOM 356 NH2 ARG A 21 131.120 -3.954 9.536 1.00 1.50 N ATOM 0 H ARG A 21 132.713 0.537 3.103 1.00 0.36 H new ATOM 0 HA ARG A 21 131.807 1.285 5.620 1.00 0.37 H new ATOM 0 HB2 ARG A 21 131.938 -1.019 4.143 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.172 -1.355 5.340 1.00 0.47 H new ATOM 0 HG2 ARG A 21 131.510 -0.888 7.151 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.281 -0.619 5.932 1.00 0.71 H new ATOM 0 HD2 ARG A 21 130.091 -2.855 5.414 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.790 -3.180 5.690 1.00 0.94 H new ATOM 0 HE ARG A 21 129.624 -3.415 7.622 1.00 0.95 H new ATOM 0 HH11 ARG A 21 133.104 -2.833 7.255 1.00 2.03 H new ATOM 0 HH12 ARG A 21 133.483 -3.406 8.883 1.00 2.03 H new ATOM 0 HH21 ARG A 21 130.133 -4.144 9.707 1.00 1.50 H new ATOM 0 HH22 ARG A 21 131.810 -4.144 10.263 1.00 1.50 H new ATOM 370 N LYS A 22 135.059 0.755 5.512 1.00 0.33 N ATOM 371 CA LYS A 22 136.302 0.930 6.264 1.00 0.41 C ATOM 372 C LYS A 22 136.339 2.300 6.946 1.00 0.34 C ATOM 373 O LYS A 22 136.621 2.397 8.141 1.00 0.36 O ATOM 374 CB LYS A 22 137.517 0.769 5.342 1.00 0.56 C ATOM 375 CG LYS A 22 138.776 0.320 6.068 1.00 0.77 C ATOM 376 CD LYS A 22 139.892 -0.031 5.094 1.00 0.95 C ATOM 377 CE LYS A 22 141.050 0.953 5.188 1.00 0.76 C ATOM 378 NZ LYS A 22 142.170 0.418 6.012 1.00 0.71 N ATOM 0 H LYS A 22 135.191 0.492 4.536 1.00 0.33 H new ATOM 0 HA LYS A 22 136.340 0.159 7.034 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.278 0.044 4.563 1.00 0.56 H new ATOM 0 HB3 LYS A 22 137.714 1.719 4.844 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.112 1.112 6.737 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.549 -0.547 6.689 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.253 -1.039 5.301 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.500 -0.036 4.077 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.414 1.182 4.186 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.696 1.889 5.620 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.938 1.118 6.051 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.830 0.223 6.975 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.525 -0.462 5.586 1.00 0.71 H new ATOM 392 N ASP A 23 136.045 3.353 6.178 1.00 0.34 N ATOM 393 CA ASP A 23 136.035 4.720 6.707 1.00 0.32 C ATOM 394 C ASP A 23 134.871 4.948 7.676 1.00 0.29 C ATOM 395 O ASP A 23 134.920 5.861 8.502 1.00 0.34 O ATOM 396 CB ASP A 23 135.950 5.734 5.562 1.00 0.37 C ATOM 397 CG ASP A 23 137.296 5.998 4.917 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.673 5.241 3.998 1.00 1.17 O ATOM 399 OD2 ASP A 23 137.974 6.962 5.332 1.00 1.15 O ATOM 0 H ASP A 23 135.811 3.285 5.188 1.00 0.34 H new ATOM 0 HA ASP A 23 136.967 4.860 7.255 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.255 5.367 4.807 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.543 6.671 5.941 1.00 0.37 H new ATOM 404 N THR A 24 133.832 4.114 7.582 1.00 0.27 N ATOM 405 CA THR A 24 132.666 4.222 8.460 1.00 0.28 C ATOM 406 C THR A 24 132.848 3.370 9.722 1.00 0.27 C ATOM 407 O THR A 24 132.249 3.651 10.761 1.00 0.32 O ATOM 408 CB THR A 24 131.398 3.797 7.707 1.00 0.31 C ATOM 409 OG1 THR A 24 131.291 4.493 6.476 1.00 0.52 O ATOM 410 CG2 THR A 24 130.119 4.043 8.480 1.00 0.53 C ATOM 0 H THR A 24 133.776 3.354 6.904 1.00 0.27 H new ATOM 0 HA THR A 24 132.564 5.263 8.767 1.00 0.28 H new ATOM 0 HB THR A 24 131.506 2.723 7.553 1.00 0.31 H new ATOM 0 HG1 THR A 24 131.953 4.143 5.844 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.266 3.718 7.885 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.145 3.482 9.414 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.025 5.107 8.699 1.00 0.53 H new ATOM 418 N HIS A 25 133.690 2.335 9.625 1.00 0.27 N ATOM 419 CA HIS A 25 133.967 1.451 10.755 1.00 0.31 C ATOM 420 C HIS A 25 134.884 2.155 11.747 1.00 0.33 C ATOM 421 O HIS A 25 134.670 2.092 12.958 1.00 0.43 O ATOM 422 CB HIS A 25 134.606 0.140 10.274 1.00 0.37 C ATOM 423 CG HIS A 25 134.193 -1.066 11.066 1.00 0.38 C ATOM 424 ND1 HIS A 25 132.984 -1.162 11.726 1.00 0.92 N ATOM 425 CD2 HIS A 25 134.837 -2.235 11.299 1.00 0.92 C ATOM 426 CE1 HIS A 25 132.905 -2.334 12.330 1.00 0.79 C ATOM 427 NE2 HIS A 25 134.015 -3.004 12.086 1.00 0.75 N ATOM 0 H HIS A 25 134.191 2.091 8.771 1.00 0.27 H new ATOM 0 HA HIS A 25 133.026 1.209 11.249 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.344 -0.018 9.228 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.691 0.238 10.320 1.00 0.37 H new ATOM 0 HD2 HIS A 25 135.815 -2.511 10.934 1.00 0.92 H new ATOM 0 HE1 HIS A 25 132.073 -2.684 12.923 1.00 0.79 H new ATOM 0 HE2 HIS A 25 134.228 -3.941 12.427 1.00 0.75 H new ATOM 436 N ILE A 26 135.889 2.857 11.216 1.00 0.31 N ATOM 437 CA ILE A 26 136.823 3.613 12.044 1.00 0.35 C ATOM 438 C ILE A 26 136.139 4.852 12.636 1.00 0.34 C ATOM 439 O ILE A 26 136.639 5.449 13.591 1.00 0.46 O ATOM 440 CB ILE A 26 138.074 4.051 11.247 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.674 4.882 10.020 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.889 2.835 10.828 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.589 6.060 9.761 1.00 0.68 C ATOM 0 H ILE A 26 136.074 2.915 10.215 1.00 0.31 H new ATOM 0 HA ILE A 26 137.143 2.951 12.849 1.00 0.35 H new ATOM 0 HB ILE A 26 138.691 4.675 11.893 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.668 4.237 9.141 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.656 5.246 10.155 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.766 3.160 10.268 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.207 2.287 11.715 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.278 2.186 10.201 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.245 6.601 8.879 1.00 0.68 H new ATOM 0 HD12 ILE A 26 138.577 6.727 10.623 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.605 5.702 9.594 1.00 0.68 H new ATOM 455 N ARG A 27 134.982 5.221 12.067 1.00 0.29 N ATOM 456 CA ARG A 27 134.214 6.369 12.537 1.00 0.35 C ATOM 457 C ARG A 27 133.236 5.944 13.634 1.00 0.34 C ATOM 458 O ARG A 27 133.044 6.667 14.613 1.00 0.39 O ATOM 459 CB ARG A 27 133.453 7.017 11.376 1.00 0.44 C ATOM 460 CG ARG A 27 133.332 8.528 11.493 1.00 0.52 C ATOM 461 CD ARG A 27 131.971 9.017 11.020 1.00 0.81 C ATOM 462 NE ARG A 27 130.983 9.039 12.100 1.00 0.91 N ATOM 463 CZ ARG A 27 129.676 9.238 11.912 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.191 9.433 10.688 1.00 1.19 N ATOM 465 NH2 ARG A 27 128.849 9.242 12.953 1.00 1.68 N ATOM 0 H ARG A 27 134.561 4.734 11.276 1.00 0.29 H new ATOM 0 HA ARG A 27 134.909 7.100 12.951 1.00 0.35 H new ATOM 0 HB2 ARG A 27 133.958 6.773 10.441 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.454 6.584 11.321 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.487 8.827 12.530 1.00 0.52 H new ATOM 0 HG3 ARG A 27 134.116 9.004 10.903 1.00 0.52 H new ATOM 0 HD2 ARG A 27 132.072 10.019 10.603 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.614 8.372 10.217 1.00 0.81 H new ATOM 0 HE ARG A 27 131.313 8.893 13.054 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.819 9.431 9.884 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.191 9.584 10.554 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.213 9.093 13.894 1.00 1.68 H new ATOM 0 HH22 ARG A 27 127.850 9.394 12.811 1.00 1.68 H new ATOM 479 N GLU A 28 132.630 4.759 13.472 1.00 0.33 N ATOM 480 CA GLU A 28 131.689 4.241 14.466 1.00 0.38 C ATOM 481 C GLU A 28 132.431 3.881 15.752 1.00 0.37 C ATOM 482 O GLU A 28 131.957 4.171 16.852 1.00 0.47 O ATOM 483 CB GLU A 28 130.915 3.031 13.921 1.00 0.48 C ATOM 484 CG GLU A 28 131.748 1.769 13.748 1.00 0.81 C ATOM 485 CD GLU A 28 130.927 0.505 13.912 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.822 0.009 15.054 1.00 1.85 O ATOM 487 OE2 GLU A 28 130.389 0.012 12.898 1.00 1.66 O ATOM 0 H GLU A 28 132.775 4.148 12.668 1.00 0.33 H new ATOM 0 HA GLU A 28 130.961 5.021 14.690 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.086 2.814 14.595 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.481 3.298 12.958 1.00 0.48 H new ATOM 0 HG2 GLU A 28 132.208 1.774 12.760 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.558 1.769 14.477 1.00 0.81 H new ATOM 494 N LEU A 29 133.610 3.267 15.604 1.00 0.34 N ATOM 495 CA LEU A 29 134.435 2.894 16.751 1.00 0.38 C ATOM 496 C LEU A 29 135.055 4.138 17.396 1.00 0.42 C ATOM 497 O LEU A 29 135.552 4.080 18.520 1.00 0.80 O ATOM 498 CB LEU A 29 135.538 1.920 16.325 1.00 0.48 C ATOM 499 CG LEU A 29 135.715 0.708 17.242 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.138 -0.543 16.595 1.00 0.84 C ATOM 501 CD2 LEU A 29 137.185 0.506 17.585 1.00 0.58 C ATOM 0 H LEU A 29 134.012 3.019 14.700 1.00 0.34 H new ATOM 0 HA LEU A 29 133.796 2.402 17.484 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.321 1.566 15.317 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.483 2.462 16.276 1.00 0.48 H new ATOM 0 HG LEU A 29 135.170 0.896 18.167 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.274 -1.394 17.263 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.075 -0.397 16.405 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.652 -0.736 15.653 1.00 0.84 H new ATOM 0 HD21 LEU A 29 137.291 -0.360 18.238 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.753 0.342 16.669 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.565 1.392 18.094 1.00 0.58 H new ATOM 513 N GLU A 30 134.987 5.269 16.685 1.00 0.42 N ATOM 514 CA GLU A 30 135.506 6.533 17.193 1.00 0.46 C ATOM 515 C GLU A 30 134.515 7.140 18.186 1.00 0.46 C ATOM 516 O GLU A 30 134.910 7.843 19.118 1.00 0.61 O ATOM 517 CB GLU A 30 135.770 7.512 16.044 1.00 0.51 C ATOM 518 CG GLU A 30 137.247 7.712 15.739 1.00 0.57 C ATOM 519 CD GLU A 30 137.927 8.639 16.730 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.252 8.182 17.847 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.135 9.822 16.388 1.00 1.24 O ATOM 0 H GLU A 30 134.575 5.329 15.754 1.00 0.42 H new ATOM 0 HA GLU A 30 136.450 6.341 17.702 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.269 7.149 15.147 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.325 8.476 16.290 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.750 6.745 15.747 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.355 8.119 14.734 1.00 0.57 H new ATOM 528 N ASP A 31 133.222 6.854 17.976 1.00 0.43 N ATOM 529 CA ASP A 31 132.162 7.357 18.845 1.00 0.58 C ATOM 530 C ASP A 31 132.388 6.911 20.288 1.00 0.59 C ATOM 531 O ASP A 31 132.622 7.743 21.164 1.00 0.78 O ATOM 532 CB ASP A 31 130.790 6.882 18.353 1.00 0.71 C ATOM 533 CG ASP A 31 129.805 8.024 18.191 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.144 8.385 19.188 1.00 1.65 O ATOM 535 OD2 ASP A 31 129.696 8.559 17.067 1.00 1.73 O ATOM 0 H ASP A 31 132.890 6.273 17.206 1.00 0.43 H new ATOM 0 HA ASP A 31 132.186 8.446 18.812 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.907 6.369 17.398 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.386 6.155 19.058 1.00 0.71 H new ATOM 540 N TYR A 32 132.300 5.600 20.538 1.00 0.51 N ATOM 541 CA TYR A 32 132.484 5.053 21.886 1.00 0.56 C ATOM 542 C TYR A 32 133.796 5.521 22.521 1.00 0.55 C ATOM 543 O TYR A 32 133.834 5.822 23.714 1.00 0.64 O ATOM 544 CB TYR A 32 132.439 3.521 21.853 1.00 0.61 C ATOM 545 CG TYR A 32 131.299 2.954 21.029 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.023 3.501 21.100 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.500 1.872 20.180 1.00 0.98 C ATOM 548 CE1 TYR A 32 128.983 2.987 20.352 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.462 1.351 19.429 1.00 1.19 C ATOM 550 CZ TYR A 32 129.207 1.913 19.520 1.00 1.23 C ATOM 551 OH TYR A 32 128.171 1.393 18.781 1.00 1.55 O ATOM 0 H TYR A 32 132.103 4.898 19.824 1.00 0.51 H new ATOM 0 HA TYR A 32 131.665 5.427 22.500 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.382 3.149 21.454 1.00 0.61 H new ATOM 0 HB3 TYR A 32 132.356 3.148 22.874 1.00 0.61 H new ATOM 0 HD1 TYR A 32 129.842 4.343 21.752 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.483 1.431 20.106 1.00 0.98 H new ATOM 0 HE1 TYR A 32 127.998 3.425 20.419 1.00 1.38 H new ATOM 0 HE2 TYR A 32 130.634 0.509 18.775 1.00 1.19 H new ATOM 0 HH TYR A 32 128.497 0.640 18.246 1.00 1.55 H new ATOM 561 N ILE A 33 134.865 5.593 21.721 1.00 0.53 N ATOM 562 CA ILE A 33 136.167 6.042 22.220 1.00 0.62 C ATOM 563 C ILE A 33 136.078 7.470 22.777 1.00 0.58 C ATOM 564 O ILE A 33 136.898 7.876 23.603 1.00 0.77 O ATOM 565 CB ILE A 33 137.251 5.978 21.118 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.532 4.521 20.738 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.533 6.666 21.575 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.371 4.365 19.487 1.00 0.85 C ATOM 0 H ILE A 33 134.854 5.347 20.731 1.00 0.53 H new ATOM 0 HA ILE A 33 136.454 5.364 23.024 1.00 0.62 H new ATOM 0 HB ILE A 33 136.879 6.505 20.240 1.00 0.75 H new ATOM 0 HG12 ILE A 33 138.040 4.031 21.568 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.583 4.004 20.595 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.280 6.608 20.783 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.324 7.712 21.800 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.913 6.171 22.469 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.527 3.306 19.283 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.856 4.825 18.644 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.335 4.852 19.632 1.00 0.85 H new ATOM 580 N ASP A 34 135.063 8.217 22.335 1.00 0.49 N ATOM 581 CA ASP A 34 134.849 9.583 22.802 1.00 0.54 C ATOM 582 C ASP A 34 134.220 9.579 24.196 1.00 0.44 C ATOM 583 O ASP A 34 134.525 10.438 25.011 1.00 0.47 O ATOM 584 CB ASP A 34 133.963 10.358 21.816 1.00 0.75 C ATOM 585 CG ASP A 34 134.487 11.754 21.517 1.00 0.90 C ATOM 586 OD1 ASP A 34 135.723 11.949 21.526 1.00 1.42 O ATOM 587 OD2 ASP A 34 133.659 12.654 21.266 1.00 1.49 O ATOM 0 H ASP A 34 134.377 7.895 21.653 1.00 0.49 H new ATOM 0 HA ASP A 34 135.816 10.082 22.860 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.888 9.797 20.885 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.955 10.434 22.224 1.00 0.75 H new ATOM 592 N ASN A 35 133.347 8.599 24.456 1.00 0.53 N ATOM 593 CA ASN A 35 132.673 8.465 25.756 1.00 0.57 C ATOM 594 C ASN A 35 133.640 8.735 26.913 1.00 0.47 C ATOM 595 O ASN A 35 133.277 9.394 27.889 1.00 0.58 O ATOM 596 CB ASN A 35 132.057 7.070 25.910 1.00 0.74 C ATOM 597 CG ASN A 35 130.803 6.886 25.072 1.00 0.88 C ATOM 598 OD1 ASN A 35 130.006 7.811 24.913 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.619 5.685 24.533 1.00 1.32 N ATOM 0 H ASN A 35 133.088 7.881 23.779 1.00 0.53 H new ATOM 0 HA ASN A 35 131.877 9.209 25.789 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.793 6.319 25.624 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.816 6.898 26.959 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.793 5.503 23.963 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.304 4.945 24.689 1.00 1.32 H new ATOM 606 N LEU A 36 134.876 8.240 26.785 1.00 0.42 N ATOM 607 CA LEU A 36 135.901 8.450 27.810 1.00 0.47 C ATOM 608 C LEU A 36 136.207 9.943 27.945 1.00 0.42 C ATOM 609 O LEU A 36 136.258 10.480 29.053 1.00 0.53 O ATOM 610 CB LEU A 36 137.183 7.681 27.463 1.00 0.66 C ATOM 611 CG LEU A 36 136.981 6.221 27.043 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.217 5.697 26.326 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.653 5.355 28.252 1.00 1.66 C ATOM 0 H LEU A 36 135.189 7.693 25.983 1.00 0.42 H new ATOM 0 HA LEU A 36 135.521 8.074 28.760 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.694 8.206 26.656 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.846 7.704 28.328 1.00 0.66 H new ATOM 0 HG LEU A 36 136.139 6.175 26.353 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.056 4.659 26.035 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.404 6.299 25.436 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.077 5.758 26.992 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.513 4.322 27.933 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.473 5.405 28.969 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.738 5.717 28.721 1.00 1.66 H new ATOM 625 N LEU A 37 136.386 10.605 26.799 1.00 0.36 N ATOM 626 CA LEU A 37 136.661 12.039 26.756 1.00 0.40 C ATOM 627 C LEU A 37 135.533 12.772 26.014 1.00 0.32 C ATOM 628 O LEU A 37 135.758 13.417 24.987 1.00 0.42 O ATOM 629 CB LEU A 37 138.014 12.304 26.082 1.00 0.56 C ATOM 630 CG LEU A 37 138.213 11.624 24.722 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.957 12.546 23.765 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.959 10.306 24.885 1.00 0.63 C ATOM 0 H LEU A 37 136.344 10.163 25.881 1.00 0.36 H new ATOM 0 HA LEU A 37 136.708 12.418 27.777 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.132 13.380 25.953 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.807 11.975 26.754 1.00 0.56 H new ATOM 0 HG LEU A 37 137.231 11.412 24.299 1.00 0.55 H new ATOM 0 HD11 LEU A 37 139.088 12.045 22.806 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.383 13.461 23.621 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.933 12.792 24.182 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.090 9.839 23.909 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.935 10.493 25.332 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.386 9.641 25.531 1.00 0.63 H new ATOM 644 N VAL A 38 134.314 12.639 26.549 1.00 0.29 N ATOM 645 CA VAL A 38 133.109 13.254 25.979 1.00 0.41 C ATOM 646 C VAL A 38 132.024 13.387 27.057 1.00 0.38 C ATOM 647 O VAL A 38 132.253 13.035 28.217 1.00 0.61 O ATOM 648 CB VAL A 38 132.566 12.475 24.752 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.538 11.428 25.161 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.980 13.438 23.725 1.00 0.99 C ATOM 0 H VAL A 38 134.134 12.098 27.395 1.00 0.29 H new ATOM 0 HA VAL A 38 133.389 14.245 25.623 1.00 0.41 H new ATOM 0 HB VAL A 38 133.404 11.948 24.296 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.181 10.903 24.275 1.00 0.97 H new ATOM 0 HG12 VAL A 38 131.998 10.714 25.845 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.699 11.916 25.656 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.604 12.875 22.871 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.163 14.000 24.178 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.754 14.129 23.391 1.00 0.99 H new ATOM 660 N ARG A 39 130.837 13.865 26.674 1.00 0.44 N ATOM 661 CA ARG A 39 129.728 14.002 27.613 1.00 0.47 C ATOM 662 C ARG A 39 129.094 12.634 27.873 1.00 0.53 C ATOM 663 O ARG A 39 128.521 12.024 26.967 1.00 0.86 O ATOM 664 CB ARG A 39 128.683 14.979 27.056 1.00 0.59 C ATOM 665 CG ARG A 39 127.318 14.883 27.726 1.00 0.75 C ATOM 666 CD ARG A 39 127.277 15.661 29.031 1.00 0.97 C ATOM 667 NE ARG A 39 127.093 17.095 28.810 1.00 0.93 N ATOM 668 CZ ARG A 39 127.019 18.000 29.789 1.00 1.00 C ATOM 669 NH1 ARG A 39 127.115 17.626 31.063 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.849 19.284 29.491 1.00 1.48 N ATOM 0 H ARG A 39 130.623 14.162 25.722 1.00 0.44 H new ATOM 0 HA ARG A 39 130.106 14.398 28.556 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.058 15.996 27.166 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.565 14.797 25.988 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.553 15.265 27.050 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.080 13.837 27.918 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.465 15.283 29.653 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.203 15.495 29.581 1.00 0.97 H new ATOM 0 HE ARG A 39 127.016 17.424 27.848 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.246 16.642 31.297 1.00 1.27 H new ATOM 0 HH12 ARG A 39 127.057 18.324 31.805 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.775 19.576 28.516 1.00 1.48 H new ATOM 0 HH22 ARG A 39 126.792 19.977 30.237 1.00 1.48 H new ATOM 684 N VAL A 40 129.205 12.156 29.112 1.00 0.46 N ATOM 685 CA VAL A 40 128.646 10.857 29.488 1.00 0.53 C ATOM 686 C VAL A 40 127.218 10.998 30.014 1.00 0.53 C ATOM 687 O VAL A 40 126.861 12.022 30.601 1.00 0.66 O ATOM 688 CB VAL A 40 129.513 10.147 30.553 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.832 9.684 29.950 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.758 11.055 31.752 1.00 0.78 C ATOM 0 H VAL A 40 129.676 12.648 29.872 1.00 0.46 H new ATOM 0 HA VAL A 40 128.636 10.250 28.583 1.00 0.53 H new ATOM 0 HB VAL A 40 128.968 9.270 30.901 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.428 9.187 30.716 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.635 8.988 29.135 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.379 10.545 29.567 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.370 10.531 32.486 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.275 11.957 31.426 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.804 11.327 32.203 1.00 0.78 H new ATOM 700 N MET A 41 126.407 9.960 29.801 1.00 0.53 N ATOM 701 CA MET A 41 125.016 9.962 30.253 1.00 0.60 C ATOM 702 C MET A 41 124.739 8.772 31.168 1.00 0.86 C ATOM 703 O MET A 41 123.923 8.860 32.086 1.00 1.20 O ATOM 704 CB MET A 41 124.059 9.937 29.055 1.00 0.75 C ATOM 705 CG MET A 41 124.282 8.767 28.107 1.00 0.56 C ATOM 706 SD MET A 41 122.831 8.403 27.100 1.00 0.67 S ATOM 707 CE MET A 41 122.901 9.735 25.904 1.00 0.54 C ATOM 0 H MET A 41 126.690 9.107 29.318 1.00 0.53 H new ATOM 0 HA MET A 41 124.849 10.879 30.818 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.034 9.902 29.423 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.166 10.868 28.498 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.126 8.989 27.454 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.550 7.882 28.685 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.065 9.645 25.210 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.842 10.692 26.422 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.839 9.679 25.351 1.00 0.54 H new TER 717 MET A 41 ATOM 718 N GLY B 1 135.236 4.611 -27.450 1.00 0.61 N ATOM 719 CA GLY B 1 136.568 4.182 -27.963 1.00 0.61 C ATOM 720 C GLY B 1 137.065 2.909 -27.302 1.00 0.52 C ATOM 721 O GLY B 1 137.193 1.874 -27.958 1.00 0.60 O ATOM 0 H1 GLY B 1 134.943 5.484 -27.933 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.537 3.863 -27.632 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.298 4.786 -26.427 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.506 4.027 -29.040 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.292 4.980 -27.797 1.00 0.61 H new ATOM 727 N SER B 2 137.345 2.987 -26.000 1.00 0.50 N ATOM 728 CA SER B 2 137.832 1.835 -25.242 1.00 0.49 C ATOM 729 C SER B 2 137.152 1.746 -23.878 1.00 0.47 C ATOM 730 O SER B 2 137.782 1.382 -22.884 1.00 0.63 O ATOM 731 CB SER B 2 139.352 1.916 -25.074 1.00 0.55 C ATOM 732 OG SER B 2 140.016 1.618 -26.290 1.00 0.67 O ATOM 0 H SER B 2 137.242 3.839 -25.448 1.00 0.50 H new ATOM 0 HA SER B 2 137.585 0.933 -25.801 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.631 2.915 -24.739 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.673 1.219 -24.300 1.00 0.55 H new ATOM 0 HG SER B 2 140.985 1.678 -26.157 1.00 0.67 H new ATOM 738 N LEU B 3 135.852 2.049 -23.843 1.00 0.48 N ATOM 739 CA LEU B 3 135.081 1.969 -22.606 1.00 0.55 C ATOM 740 C LEU B 3 134.450 0.582 -22.492 1.00 0.65 C ATOM 741 O LEU B 3 133.249 0.436 -22.254 1.00 1.02 O ATOM 742 CB LEU B 3 134.011 3.067 -22.566 1.00 0.62 C ATOM 743 CG LEU B 3 134.439 4.356 -21.861 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.182 5.270 -22.825 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.230 5.067 -21.267 1.00 0.76 C ATOM 0 H LEU B 3 135.315 2.351 -24.656 1.00 0.48 H new ATOM 0 HA LEU B 3 135.745 2.125 -21.755 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.720 3.308 -23.588 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.125 2.674 -22.067 1.00 0.62 H new ATOM 0 HG LEU B 3 135.116 4.096 -21.047 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.479 6.182 -22.306 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.070 4.760 -23.199 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.530 5.524 -23.661 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.554 5.981 -20.770 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.527 5.316 -22.062 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.743 4.413 -20.543 1.00 0.76 H new ATOM 757 N THR B 4 135.292 -0.435 -22.680 1.00 0.46 N ATOM 758 CA THR B 4 134.880 -1.831 -22.624 1.00 0.55 C ATOM 759 C THR B 4 135.791 -2.601 -21.668 1.00 0.42 C ATOM 760 O THR B 4 136.403 -2.002 -20.785 1.00 0.43 O ATOM 761 CB THR B 4 134.917 -2.445 -24.031 1.00 0.72 C ATOM 762 OG1 THR B 4 136.231 -2.412 -24.569 1.00 0.70 O ATOM 763 CG2 THR B 4 133.995 -1.749 -25.012 1.00 0.90 C ATOM 0 H THR B 4 136.285 -0.308 -22.876 1.00 0.46 H new ATOM 0 HA THR B 4 133.858 -1.893 -22.251 1.00 0.55 H new ATOM 0 HB THR B 4 134.576 -3.472 -23.903 1.00 0.72 H new ATOM 0 HG1 THR B 4 136.228 -2.810 -25.464 1.00 0.70 H new ATOM 0 HG21 THR B 4 134.069 -2.232 -25.986 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.968 -1.812 -24.653 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.284 -0.702 -25.103 1.00 0.90 H new ATOM 771 N TYR B 5 135.853 -3.924 -21.820 1.00 0.50 N ATOM 772 CA TYR B 5 136.671 -4.785 -20.955 1.00 0.45 C ATOM 773 C TYR B 5 138.059 -4.201 -20.644 1.00 0.41 C ATOM 774 O TYR B 5 138.555 -4.356 -19.527 1.00 0.46 O ATOM 775 CB TYR B 5 136.829 -6.164 -21.603 1.00 0.57 C ATOM 776 CG TYR B 5 137.163 -7.266 -20.623 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.230 -7.699 -19.688 1.00 0.69 C ATOM 778 CD2 TYR B 5 138.411 -7.877 -20.636 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.532 -8.709 -18.794 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.720 -8.887 -19.746 1.00 0.92 C ATOM 781 CZ TYR B 5 137.778 -9.299 -18.827 1.00 0.67 C ATOM 782 OH TYR B 5 138.081 -10.306 -17.941 1.00 0.84 O ATOM 0 H TYR B 5 135.341 -4.431 -22.542 1.00 0.50 H new ATOM 0 HA TYR B 5 136.144 -4.862 -20.004 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.905 -6.419 -22.121 1.00 0.57 H new ATOM 0 HB3 TYR B 5 137.614 -6.112 -22.358 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.253 -7.239 -19.660 1.00 0.69 H new ATOM 0 HD2 TYR B 5 139.152 -7.557 -21.354 1.00 0.80 H new ATOM 0 HE1 TYR B 5 135.796 -9.034 -18.074 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.695 -9.352 -19.770 1.00 0.92 H new ATOM 0 HH TYR B 5 138.998 -10.614 -18.097 1.00 0.84 H new ATOM 792 N GLU B 6 138.687 -3.539 -21.622 1.00 0.49 N ATOM 793 CA GLU B 6 140.017 -2.951 -21.418 1.00 0.50 C ATOM 794 C GLU B 6 139.963 -1.697 -20.536 1.00 0.38 C ATOM 795 O GLU B 6 140.991 -1.253 -20.020 1.00 0.44 O ATOM 796 CB GLU B 6 140.655 -2.600 -22.765 1.00 0.62 C ATOM 797 CG GLU B 6 141.181 -3.806 -23.527 1.00 0.68 C ATOM 798 CD GLU B 6 141.430 -3.506 -24.992 1.00 0.83 C ATOM 799 OE1 GLU B 6 140.482 -3.636 -25.795 1.00 1.14 O ATOM 800 OE2 GLU B 6 142.573 -3.139 -25.338 1.00 1.01 O ATOM 0 H GLU B 6 138.300 -3.397 -22.555 1.00 0.49 H new ATOM 0 HA GLU B 6 140.623 -3.698 -20.905 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.919 -2.085 -23.382 1.00 0.62 H new ATOM 0 HB3 GLU B 6 141.475 -1.902 -22.597 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.109 -4.146 -23.067 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.466 -4.624 -23.444 1.00 0.68 H new ATOM 807 N GLU B 7 138.765 -1.138 -20.358 1.00 0.32 N ATOM 808 CA GLU B 7 138.583 0.054 -19.535 1.00 0.29 C ATOM 809 C GLU B 7 138.487 -0.306 -18.056 1.00 0.27 C ATOM 810 O GLU B 7 139.170 0.293 -17.226 1.00 0.43 O ATOM 811 CB GLU B 7 137.325 0.816 -19.957 1.00 0.43 C ATOM 812 CG GLU B 7 137.427 2.319 -19.747 1.00 0.57 C ATOM 813 CD GLU B 7 137.091 2.734 -18.326 1.00 0.72 C ATOM 814 OE1 GLU B 7 135.890 2.773 -17.986 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.030 3.019 -17.552 1.00 0.80 O ATOM 0 H GLU B 7 137.905 -1.495 -20.775 1.00 0.32 H new ATOM 0 HA GLU B 7 139.455 0.690 -19.684 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.125 0.617 -21.010 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.473 0.435 -19.394 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.438 2.648 -19.988 1.00 0.57 H new ATOM 0 HG3 GLU B 7 136.753 2.825 -20.438 1.00 0.57 H new ATOM 822 N VAL B 8 137.640 -1.289 -17.730 1.00 0.35 N ATOM 823 CA VAL B 8 137.459 -1.723 -16.347 1.00 0.37 C ATOM 824 C VAL B 8 138.712 -2.412 -15.804 1.00 0.28 C ATOM 825 O VAL B 8 139.038 -2.268 -14.625 1.00 0.40 O ATOM 826 CB VAL B 8 136.244 -2.671 -16.207 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.487 -3.989 -16.934 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.920 -2.914 -14.740 1.00 0.78 C ATOM 0 H VAL B 8 137.071 -1.797 -18.407 1.00 0.35 H new ATOM 0 HA VAL B 8 137.274 -0.824 -15.759 1.00 0.37 H new ATOM 0 HB VAL B 8 135.385 -2.188 -16.673 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.616 -4.634 -16.818 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.656 -3.795 -17.993 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.363 -4.482 -16.511 1.00 0.44 H new ATOM 0 HG21 VAL B 8 135.063 -3.583 -14.663 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.780 -3.368 -14.248 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.685 -1.965 -14.257 1.00 0.78 H new ATOM 838 N LEU B 9 139.406 -3.162 -16.665 1.00 0.35 N ATOM 839 CA LEU B 9 140.622 -3.869 -16.261 1.00 0.49 C ATOM 840 C LEU B 9 141.619 -2.913 -15.605 1.00 0.52 C ATOM 841 O LEU B 9 142.151 -3.206 -14.532 1.00 0.74 O ATOM 842 CB LEU B 9 141.271 -4.557 -17.467 1.00 0.65 C ATOM 843 CG LEU B 9 141.042 -6.068 -17.552 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.479 -6.601 -18.909 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.782 -6.784 -16.430 1.00 0.76 C ATOM 0 H LEU B 9 139.147 -3.294 -17.643 1.00 0.35 H new ATOM 0 HA LEU B 9 140.340 -4.628 -15.531 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.890 -4.095 -18.378 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.344 -4.369 -17.439 1.00 0.65 H new ATOM 0 HG LEU B 9 139.975 -6.261 -17.437 1.00 0.65 H new ATOM 0 HD11 LEU B 9 141.308 -7.677 -18.950 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.903 -6.112 -19.695 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.539 -6.396 -19.056 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.608 -7.857 -16.506 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.850 -6.583 -16.512 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.418 -6.425 -15.467 1.00 0.76 H new ATOM 857 N GLN B 10 141.861 -1.769 -16.251 1.00 0.41 N ATOM 858 CA GLN B 10 142.789 -0.766 -15.726 1.00 0.48 C ATOM 859 C GLN B 10 142.257 -0.116 -14.443 1.00 0.42 C ATOM 860 O GLN B 10 143.033 0.422 -13.653 1.00 0.48 O ATOM 861 CB GLN B 10 143.066 0.307 -16.783 1.00 0.58 C ATOM 862 CG GLN B 10 144.285 0.010 -17.644 1.00 0.66 C ATOM 863 CD GLN B 10 145.588 0.393 -16.964 1.00 0.81 C ATOM 864 OE1 GLN B 10 145.841 0.010 -15.821 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.425 1.151 -17.665 1.00 0.83 N ATOM 0 H GLN B 10 141.427 -1.515 -17.138 1.00 0.41 H new ATOM 0 HA GLN B 10 143.720 -1.277 -15.479 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.192 0.406 -17.427 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.207 1.267 -16.287 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.304 -1.053 -17.886 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.199 0.550 -18.587 1.00 0.66 H new ATOM 0 HE21 GLN B 10 146.177 1.447 -18.609 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.316 1.437 -17.259 1.00 0.83 H new ATOM 874 N GLU B 11 140.940 -0.190 -14.228 1.00 0.40 N ATOM 875 CA GLU B 11 140.320 0.371 -13.025 1.00 0.42 C ATOM 876 C GLU B 11 140.441 -0.612 -11.859 1.00 0.37 C ATOM 877 O GLU B 11 140.557 -0.208 -10.702 1.00 0.54 O ATOM 878 CB GLU B 11 138.844 0.697 -13.278 1.00 0.48 C ATOM 879 CG GLU B 11 138.614 1.619 -14.465 1.00 0.62 C ATOM 880 CD GLU B 11 137.321 2.403 -14.358 1.00 0.99 C ATOM 881 OE1 GLU B 11 137.305 3.430 -13.647 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.324 1.990 -14.987 1.00 1.61 O ATOM 0 H GLU B 11 140.284 -0.633 -14.871 1.00 0.40 H new ATOM 0 HA GLU B 11 140.843 1.293 -12.771 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.299 -0.233 -13.441 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.425 1.159 -12.384 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.449 2.314 -14.546 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.601 1.028 -15.381 1.00 0.62 H new ATOM 889 N LEU B 12 140.433 -1.908 -12.186 1.00 0.32 N ATOM 890 CA LEU B 12 140.560 -2.960 -11.183 1.00 0.30 C ATOM 891 C LEU B 12 141.946 -2.909 -10.550 1.00 0.28 C ATOM 892 O LEU B 12 142.075 -2.753 -9.334 1.00 0.36 O ATOM 893 CB LEU B 12 140.312 -4.339 -11.808 1.00 0.32 C ATOM 894 CG LEU B 12 139.747 -5.403 -10.859 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.777 -5.791 -9.807 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.464 -4.912 -10.198 1.00 0.54 C ATOM 0 H LEU B 12 140.339 -2.251 -13.142 1.00 0.32 H new ATOM 0 HA LEU B 12 139.809 -2.796 -10.410 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.623 -4.221 -12.644 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.252 -4.707 -12.219 1.00 0.32 H new ATOM 0 HG LEU B 12 139.510 -6.289 -11.448 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.354 -6.547 -9.145 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.664 -6.193 -10.297 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.051 -4.911 -9.225 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.081 -5.683 -9.529 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.672 -4.007 -9.627 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.720 -4.694 -10.964 1.00 0.54 H new ATOM 908 N VAL B 13 142.980 -3.037 -11.385 1.00 0.25 N ATOM 909 CA VAL B 13 144.358 -2.998 -10.907 1.00 0.26 C ATOM 910 C VAL B 13 144.630 -1.710 -10.122 1.00 0.22 C ATOM 911 O VAL B 13 145.080 -1.773 -8.977 1.00 0.26 O ATOM 912 CB VAL B 13 145.381 -3.155 -12.063 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.278 -2.014 -13.064 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.798 -3.259 -11.516 1.00 0.52 C ATOM 0 H VAL B 13 142.886 -3.168 -12.392 1.00 0.25 H new ATOM 0 HA VAL B 13 144.487 -3.849 -10.238 1.00 0.26 H new ATOM 0 HB VAL B 13 145.141 -4.079 -12.590 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.010 -2.160 -13.858 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.276 -1.996 -13.493 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.474 -1.068 -12.559 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.500 -3.369 -12.343 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.038 -2.357 -10.953 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.872 -4.126 -10.860 1.00 0.52 H new ATOM 924 N LYS B 14 144.368 -0.545 -10.740 1.00 0.24 N ATOM 925 CA LYS B 14 144.593 0.755 -10.098 1.00 0.25 C ATOM 926 C LYS B 14 144.142 0.759 -8.640 1.00 0.22 C ATOM 927 O LYS B 14 144.846 1.277 -7.773 1.00 0.29 O ATOM 928 CB LYS B 14 143.852 1.856 -10.862 1.00 0.34 C ATOM 929 CG LYS B 14 144.612 3.170 -10.936 1.00 0.87 C ATOM 930 CD LYS B 14 143.724 4.299 -11.435 1.00 0.75 C ATOM 931 CE LYS B 14 144.517 5.580 -11.641 1.00 0.70 C ATOM 932 NZ LYS B 14 144.330 6.140 -13.009 1.00 0.72 N ATOM 0 H LYS B 14 143.998 -0.481 -11.688 1.00 0.24 H new ATOM 0 HA LYS B 14 145.666 0.944 -10.120 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.647 1.508 -11.874 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.888 2.031 -10.384 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.003 3.422 -9.950 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.469 3.059 -11.600 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.253 4.006 -12.373 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.922 4.477 -10.718 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.209 6.319 -10.902 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.575 5.382 -11.472 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.888 7.012 -13.106 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.648 5.445 -13.715 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.324 6.354 -13.162 1.00 0.72 H new ATOM 946 N HIS B 15 142.972 0.172 -8.374 1.00 0.24 N ATOM 947 CA HIS B 15 142.448 0.107 -7.014 1.00 0.27 C ATOM 948 C HIS B 15 143.418 -0.653 -6.118 1.00 0.25 C ATOM 949 O HIS B 15 144.018 -0.071 -5.215 1.00 0.45 O ATOM 950 CB HIS B 15 141.071 -0.562 -6.997 1.00 0.33 C ATOM 951 CG HIS B 15 139.967 0.328 -7.476 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.651 0.167 -7.098 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.988 1.396 -8.308 1.00 0.74 C ATOM 954 CE1 HIS B 15 137.911 1.096 -7.677 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.699 1.854 -8.416 1.00 0.76 N ATOM 0 H HIS B 15 142.376 -0.261 -9.079 1.00 0.24 H new ATOM 0 HA HIS B 15 142.338 1.123 -6.634 1.00 0.27 H new ATOM 0 HB2 HIS B 15 141.103 -1.456 -7.620 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.848 -0.890 -5.982 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.858 1.810 -8.796 1.00 0.74 H new ATOM 0 HE1 HIS B 15 136.843 1.215 -7.565 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.399 2.651 -8.977 1.00 0.76 H new ATOM 964 N LYS B 16 143.560 -1.958 -6.366 1.00 0.21 N ATOM 965 CA LYS B 16 144.453 -2.812 -5.582 1.00 0.27 C ATOM 966 C LYS B 16 145.831 -2.181 -5.368 1.00 0.36 C ATOM 967 O LYS B 16 146.384 -2.271 -4.271 1.00 0.69 O ATOM 968 CB LYS B 16 144.616 -4.172 -6.268 1.00 0.35 C ATOM 969 CG LYS B 16 143.515 -5.165 -5.926 1.00 0.46 C ATOM 970 CD LYS B 16 143.137 -6.018 -7.127 1.00 0.49 C ATOM 971 CE LYS B 16 143.953 -7.302 -7.184 1.00 0.53 C ATOM 972 NZ LYS B 16 145.348 -7.059 -7.650 1.00 0.61 N ATOM 0 H LYS B 16 143.063 -2.448 -7.110 1.00 0.21 H new ATOM 0 HA LYS B 16 143.993 -2.938 -4.602 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.637 -4.024 -7.348 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.578 -4.599 -5.986 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.846 -5.809 -5.111 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.636 -4.627 -5.570 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.076 -6.263 -7.080 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.292 -5.447 -8.042 1.00 0.49 H new ATOM 0 HE2 LYS B 16 143.976 -7.761 -6.195 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.466 -8.011 -7.853 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.826 -7.970 -7.804 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.328 -6.524 -8.541 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.864 -6.514 -6.930 1.00 0.61 H new ATOM 986 N GLU B 17 146.387 -1.543 -6.406 1.00 0.30 N ATOM 987 CA GLU B 17 147.702 -0.906 -6.303 1.00 0.38 C ATOM 988 C GLU B 17 147.649 0.339 -5.416 1.00 0.32 C ATOM 989 O GLU B 17 148.605 0.635 -4.696 1.00 0.40 O ATOM 990 CB GLU B 17 148.216 -0.533 -7.699 1.00 0.51 C ATOM 991 CG GLU B 17 149.569 0.165 -7.690 1.00 0.80 C ATOM 992 CD GLU B 17 149.464 1.645 -8.012 1.00 1.10 C ATOM 993 OE1 GLU B 17 149.294 2.449 -7.070 1.00 1.49 O ATOM 994 OE2 GLU B 17 149.552 1.999 -9.207 1.00 1.47 O ATOM 0 H GLU B 17 145.947 -1.455 -7.322 1.00 0.30 H new ATOM 0 HA GLU B 17 148.387 -1.619 -5.844 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.288 -1.438 -8.303 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.486 0.116 -8.183 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.031 0.042 -6.710 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.226 -0.315 -8.415 1.00 0.80 H new ATOM 1001 N LEU B 18 146.517 1.045 -5.447 1.00 0.32 N ATOM 1002 CA LEU B 18 146.335 2.235 -4.619 1.00 0.34 C ATOM 1003 C LEU B 18 146.293 1.832 -3.147 1.00 0.35 C ATOM 1004 O LEU B 18 146.874 2.502 -2.291 1.00 0.66 O ATOM 1005 CB LEU B 18 145.054 2.979 -5.007 1.00 0.51 C ATOM 1006 CG LEU B 18 145.210 3.982 -6.153 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.848 4.425 -6.665 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.032 5.183 -5.703 1.00 0.75 C ATOM 0 H LEU B 18 145.716 0.813 -6.035 1.00 0.32 H new ATOM 0 HA LEU B 18 147.176 2.909 -4.783 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.297 2.246 -5.286 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.679 3.507 -4.130 1.00 0.51 H new ATOM 0 HG LEU B 18 145.739 3.492 -6.970 1.00 0.64 H new ATOM 0 HD11 LEU B 18 143.980 5.138 -7.479 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.296 3.558 -7.027 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.291 4.897 -5.856 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.133 5.886 -6.530 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.532 5.674 -4.869 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.021 4.850 -5.388 1.00 0.75 H new ATOM 1020 N LEU B 19 145.621 0.710 -2.873 1.00 0.45 N ATOM 1021 CA LEU B 19 145.518 0.179 -1.518 1.00 0.47 C ATOM 1022 C LEU B 19 146.877 -0.341 -1.049 1.00 0.33 C ATOM 1023 O LEU B 19 147.214 -0.241 0.132 1.00 0.45 O ATOM 1024 CB LEU B 19 144.481 -0.948 -1.462 1.00 0.63 C ATOM 1025 CG LEU B 19 143.147 -0.574 -0.812 1.00 0.81 C ATOM 1026 CD1 LEU B 19 142.033 -1.478 -1.322 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.252 -0.654 0.705 1.00 0.96 C ATOM 0 H LEU B 19 145.139 0.152 -3.578 1.00 0.45 H new ATOM 0 HA LEU B 19 145.198 0.984 -0.856 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.288 -1.293 -2.478 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.910 -1.788 -0.916 1.00 0.63 H new ATOM 0 HG LEU B 19 142.906 0.453 -1.085 1.00 0.81 H new ATOM 0 HD11 LEU B 19 141.092 -1.198 -0.849 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.943 -1.370 -2.403 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.266 -2.515 -1.080 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.294 -0.385 1.151 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.516 -1.670 0.998 1.00 0.96 H new ATOM 0 HD23 LEU B 19 144.021 0.036 1.053 1.00 0.96 H new ATOM 1039 N ARG B 20 147.656 -0.892 -1.989 1.00 0.35 N ATOM 1040 CA ARG B 20 148.981 -1.421 -1.677 1.00 0.49 C ATOM 1041 C ARG B 20 149.901 -0.309 -1.188 1.00 0.40 C ATOM 1042 O ARG B 20 150.395 -0.364 -0.060 1.00 0.49 O ATOM 1043 CB ARG B 20 149.595 -2.106 -2.904 1.00 0.76 C ATOM 1044 CG ARG B 20 148.924 -3.420 -3.273 1.00 0.85 C ATOM 1045 CD ARG B 20 149.901 -4.584 -3.223 1.00 0.96 C ATOM 1046 NE ARG B 20 149.940 -5.212 -1.901 1.00 1.06 N ATOM 1047 CZ ARG B 20 149.983 -6.533 -1.694 1.00 1.13 C ATOM 1048 NH1 ARG B 20 149.999 -7.384 -2.719 1.00 1.68 N ATOM 1049 NH2 ARG B 20 150.012 -7.006 -0.452 1.00 1.59 N ATOM 0 H ARG B 20 147.388 -0.981 -2.969 1.00 0.35 H new ATOM 0 HA ARG B 20 148.870 -2.160 -0.884 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.536 -1.427 -3.755 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.653 -2.289 -2.715 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.096 -3.610 -2.590 1.00 0.85 H new ATOM 0 HG3 ARG B 20 148.500 -3.344 -4.274 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.618 -5.327 -3.969 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.898 -4.232 -3.486 1.00 0.96 H new ATOM 0 HE ARG B 20 149.934 -4.602 -1.084 1.00 1.06 H new ATOM 0 HH11 ARG B 20 149.978 -7.031 -3.676 1.00 1.68 H new ATOM 0 HH12 ARG B 20 150.032 -8.389 -2.547 1.00 1.68 H new ATOM 0 HH21 ARG B 20 150.001 -6.362 0.339 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.045 -8.013 -0.290 1.00 1.59 H new ATOM 1063 N ARG B 21 150.132 0.706 -2.035 1.00 0.35 N ATOM 1064 CA ARG B 21 150.994 1.832 -1.677 1.00 0.35 C ATOM 1065 C ARG B 21 150.535 2.496 -0.381 1.00 0.34 C ATOM 1066 O ARG B 21 151.362 2.913 0.425 1.00 0.47 O ATOM 1067 CB ARG B 21 151.014 2.863 -2.812 1.00 0.45 C ATOM 1068 CG ARG B 21 152.378 3.492 -3.048 1.00 0.70 C ATOM 1069 CD ARG B 21 152.325 4.546 -4.145 1.00 0.98 C ATOM 1070 NE ARG B 21 153.233 5.663 -3.881 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.989 6.637 -2.998 1.00 1.25 C ATOM 1072 NH1 ARG B 21 151.863 6.642 -2.287 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.877 7.612 -2.825 1.00 1.53 N ATOM 0 H ARG B 21 149.732 0.766 -2.971 1.00 0.35 H new ATOM 0 HA ARG B 21 152.001 1.445 -1.521 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.682 2.382 -3.732 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.295 3.651 -2.587 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.735 3.945 -2.123 1.00 0.70 H new ATOM 0 HG3 ARG B 21 153.095 2.717 -3.321 1.00 0.70 H new ATOM 0 HD2 ARG B 21 152.583 4.088 -5.100 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.306 4.922 -4.237 1.00 0.98 H new ATOM 0 HE ARG B 21 154.108 5.701 -4.404 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.177 5.898 -2.413 1.00 2.12 H new ATOM 0 HH12 ARG B 21 151.687 7.390 -1.616 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.742 7.616 -3.365 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.693 8.356 -2.152 1.00 1.53 H new ATOM 1087 N LYS B 22 149.215 2.593 -0.187 1.00 0.30 N ATOM 1088 CA LYS B 22 148.657 3.208 1.019 1.00 0.36 C ATOM 1089 C LYS B 22 149.238 2.562 2.280 1.00 0.31 C ATOM 1090 O LYS B 22 149.695 3.260 3.187 1.00 0.36 O ATOM 1091 CB LYS B 22 147.128 3.091 1.026 1.00 0.47 C ATOM 1092 CG LYS B 22 146.439 4.174 1.841 1.00 0.69 C ATOM 1093 CD LYS B 22 144.929 4.148 1.648 1.00 0.86 C ATOM 1094 CE LYS B 22 144.208 3.732 2.922 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.672 4.905 3.669 1.00 0.70 N ATOM 0 H LYS B 22 148.516 2.254 -0.848 1.00 0.30 H new ATOM 0 HA LYS B 22 148.929 4.264 1.014 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.764 3.133 -0.001 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.848 2.115 1.423 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.673 4.040 2.897 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.826 5.150 1.550 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.584 5.135 1.340 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.676 3.457 0.844 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.390 3.057 2.671 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.894 3.177 3.562 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 143.189 4.577 4.530 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.455 5.537 3.931 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.997 5.420 3.068 1.00 0.70 H new ATOM 1109 N ASP B 23 149.223 1.226 2.324 1.00 0.32 N ATOM 1110 CA ASP B 23 149.756 0.481 3.467 1.00 0.32 C ATOM 1111 C ASP B 23 151.283 0.591 3.557 1.00 0.30 C ATOM 1112 O ASP B 23 151.859 0.385 4.627 1.00 0.37 O ATOM 1113 CB ASP B 23 149.353 -0.993 3.377 1.00 0.36 C ATOM 1114 CG ASP B 23 147.944 -1.242 3.878 1.00 0.75 C ATOM 1115 OD1 ASP B 23 146.996 -1.106 3.075 1.00 1.15 O ATOM 1116 OD2 ASP B 23 147.788 -1.574 5.072 1.00 1.11 O ATOM 0 H ASP B 23 148.847 0.639 1.580 1.00 0.32 H new ATOM 0 HA ASP B 23 149.330 0.923 4.368 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.431 -1.325 2.342 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.053 -1.594 3.958 1.00 0.36 H new ATOM 1121 N THR B 24 151.933 0.919 2.436 1.00 0.28 N ATOM 1122 CA THR B 24 153.389 1.064 2.396 1.00 0.29 C ATOM 1123 C THR B 24 153.809 2.509 2.701 1.00 0.27 C ATOM 1124 O THR B 24 154.924 2.754 3.162 1.00 0.32 O ATOM 1125 CB THR B 24 153.923 0.634 1.023 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.436 -0.651 0.677 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.435 0.582 0.947 1.00 0.55 C ATOM 0 H THR B 24 151.471 1.089 1.543 1.00 0.28 H new ATOM 0 HA THR B 24 153.817 0.419 3.163 1.00 0.29 H new ATOM 0 HB THR B 24 153.569 1.397 0.330 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.495 -0.584 0.413 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.739 0.271 -0.052 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.844 1.570 1.159 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.812 -0.132 1.680 1.00 0.55 H new ATOM 1135 N HIS B 25 152.896 3.455 2.456 1.00 0.26 N ATOM 1136 CA HIS B 25 153.154 4.869 2.719 1.00 0.29 C ATOM 1137 C HIS B 25 153.085 5.135 4.218 1.00 0.31 C ATOM 1138 O HIS B 25 153.928 5.843 4.772 1.00 0.41 O ATOM 1139 CB HIS B 25 152.147 5.753 1.972 1.00 0.34 C ATOM 1140 CG HIS B 25 152.725 7.046 1.473 1.00 0.34 C ATOM 1141 ND1 HIS B 25 154.060 7.208 1.158 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.139 8.243 1.232 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.267 8.447 0.748 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.118 9.094 0.782 1.00 0.74 N ATOM 0 H HIS B 25 151.970 3.263 2.075 1.00 0.26 H new ATOM 0 HA HIS B 25 154.153 5.116 2.359 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.746 5.195 1.126 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.310 5.972 2.634 1.00 0.34 H new ATOM 0 HD2 HIS B 25 151.095 8.484 1.369 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.216 8.860 0.438 1.00 0.72 H new ATOM 0 HE2 HIS B 25 152.979 10.069 0.517 1.00 0.74 H new ATOM 1153 N ILE B 26 152.091 4.531 4.874 1.00 0.29 N ATOM 1154 CA ILE B 26 151.925 4.666 6.318 1.00 0.35 C ATOM 1155 C ILE B 26 153.017 3.887 7.063 1.00 0.35 C ATOM 1156 O ILE B 26 153.247 4.112 8.253 1.00 0.47 O ATOM 1157 CB ILE B 26 150.536 4.170 6.785 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.312 2.709 6.369 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.437 5.062 6.225 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.622 1.876 7.427 1.00 0.68 C ATOM 0 H ILE B 26 151.389 3.943 4.424 1.00 0.29 H new ATOM 0 HA ILE B 26 152.008 5.728 6.551 1.00 0.35 H new ATOM 0 HB ILE B 26 150.501 4.222 7.873 1.00 0.41 H new ATOM 0 HG12 ILE B 26 149.717 2.687 5.456 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.275 2.256 6.133 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.466 4.699 6.563 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.584 6.084 6.575 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.472 5.043 5.136 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.497 0.856 7.063 1.00 0.68 H new ATOM 0 HD12 ILE B 26 150.226 1.866 8.334 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.644 2.305 7.647 1.00 0.68 H new ATOM 1172 N ARG B 27 153.699 2.985 6.343 1.00 0.31 N ATOM 1173 CA ARG B 27 154.778 2.187 6.916 1.00 0.37 C ATOM 1174 C ARG B 27 156.115 2.917 6.776 1.00 0.34 C ATOM 1175 O ARG B 27 156.941 2.888 7.691 1.00 0.39 O ATOM 1176 CB ARG B 27 154.852 0.818 6.234 1.00 0.46 C ATOM 1177 CG ARG B 27 155.270 -0.308 7.168 1.00 0.53 C ATOM 1178 CD ARG B 27 156.190 -1.299 6.471 1.00 0.80 C ATOM 1179 NE ARG B 27 157.600 -0.925 6.591 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.588 -1.512 5.910 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.328 -2.502 5.059 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.843 -1.108 6.082 1.00 1.67 N ATOM 0 H ARG B 27 153.517 2.794 5.358 1.00 0.31 H new ATOM 0 HA ARG B 27 154.570 2.039 7.976 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.877 0.581 5.807 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.558 0.872 5.406 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.776 0.109 8.039 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.384 -0.827 7.533 1.00 0.53 H new ATOM 0 HD2 ARG B 27 156.042 -2.291 6.897 1.00 0.80 H new ATOM 0 HD3 ARG B 27 155.921 -1.362 5.417 1.00 0.80 H new ATOM 0 HE ARG B 27 157.843 -0.171 7.233 1.00 0.90 H new ATOM 0 HH11 ARG B 27 157.368 -2.818 4.923 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.089 -2.944 4.543 1.00 1.21 H new ATOM 0 HH21 ARG B 27 160.050 -0.351 6.733 1.00 1.67 H new ATOM 0 HH22 ARG B 27 160.598 -1.555 5.563 1.00 1.67 H new ATOM 1196 N GLU B 28 156.318 3.586 5.632 1.00 0.33 N ATOM 1197 CA GLU B 28 157.551 4.336 5.394 1.00 0.36 C ATOM 1198 C GLU B 28 157.612 5.557 6.313 1.00 0.35 C ATOM 1199 O GLU B 28 158.662 5.862 6.882 1.00 0.44 O ATOM 1200 CB GLU B 28 157.671 4.756 3.921 1.00 0.47 C ATOM 1201 CG GLU B 28 156.687 5.833 3.486 1.00 0.78 C ATOM 1202 CD GLU B 28 157.233 6.700 2.368 1.00 1.17 C ATOM 1203 OE1 GLU B 28 157.875 7.727 2.674 1.00 1.79 O ATOM 1204 OE2 GLU B 28 157.018 6.351 1.188 1.00 1.62 O ATOM 0 H GLU B 28 155.647 3.621 4.864 1.00 0.33 H new ATOM 0 HA GLU B 28 158.395 3.685 5.621 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.684 5.114 3.741 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.527 3.876 3.293 1.00 0.47 H new ATOM 0 HG2 GLU B 28 155.760 5.363 3.157 1.00 0.78 H new ATOM 0 HG3 GLU B 28 156.440 6.462 4.341 1.00 0.78 H new ATOM 1211 N LEU B 29 156.469 6.232 6.477 1.00 0.33 N ATOM 1212 CA LEU B 29 156.380 7.396 7.355 1.00 0.38 C ATOM 1213 C LEU B 29 156.442 6.970 8.827 1.00 0.42 C ATOM 1214 O LEU B 29 156.660 7.798 9.711 1.00 0.79 O ATOM 1215 CB LEU B 29 155.084 8.169 7.092 1.00 0.46 C ATOM 1216 CG LEU B 29 155.251 9.685 6.975 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.148 10.126 5.522 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.218 10.406 7.830 1.00 0.59 C ATOM 0 H LEU B 29 155.594 5.989 6.012 1.00 0.33 H new ATOM 0 HA LEU B 29 157.229 8.046 7.142 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.636 7.795 6.171 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.381 7.957 7.898 1.00 0.46 H new ATOM 0 HG LEU B 29 156.243 9.949 7.342 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.269 11.207 5.461 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.929 9.639 4.938 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.172 9.847 5.126 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.353 11.483 7.733 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.216 10.135 7.496 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.344 10.117 8.873 1.00 0.59 H new ATOM 1230 N GLU B 30 156.291 5.663 9.070 1.00 0.43 N ATOM 1231 CA GLU B 30 156.368 5.114 10.418 1.00 0.45 C ATOM 1232 C GLU B 30 157.830 4.986 10.845 1.00 0.44 C ATOM 1233 O GLU B 30 158.150 5.089 12.031 1.00 0.58 O ATOM 1234 CB GLU B 30 155.673 3.751 10.491 1.00 0.51 C ATOM 1235 CG GLU B 30 154.339 3.784 11.220 1.00 0.58 C ATOM 1236 CD GLU B 30 154.497 3.820 12.728 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.784 4.909 13.270 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.336 2.759 13.367 1.00 1.26 O ATOM 0 H GLU B 30 156.114 4.968 8.344 1.00 0.43 H new ATOM 0 HA GLU B 30 155.856 5.794 11.099 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.515 3.379 9.479 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.333 3.043 10.991 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.775 4.659 10.897 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.755 2.907 10.941 1.00 0.58 H new ATOM 1245 N ASP B 31 158.713 4.763 9.862 1.00 0.41 N ATOM 1246 CA ASP B 31 160.144 4.625 10.117 1.00 0.55 C ATOM 1247 C ASP B 31 160.696 5.872 10.803 1.00 0.57 C ATOM 1248 O ASP B 31 161.137 5.804 11.950 1.00 0.76 O ATOM 1249 CB ASP B 31 160.902 4.363 8.809 1.00 0.69 C ATOM 1250 CG ASP B 31 161.801 3.144 8.895 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.956 3.289 9.348 1.00 1.66 O ATOM 1252 OD2 ASP B 31 161.349 2.045 8.511 1.00 1.74 O ATOM 0 H ASP B 31 158.454 4.675 8.879 1.00 0.41 H new ATOM 0 HA ASP B 31 160.287 3.773 10.782 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.186 4.226 7.999 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.503 5.237 8.559 1.00 0.69 H new ATOM 1257 N TYR B 32 160.687 7.008 10.096 1.00 0.49 N ATOM 1258 CA TYR B 32 161.203 8.267 10.644 1.00 0.56 C ATOM 1259 C TYR B 32 160.574 8.604 11.998 1.00 0.56 C ATOM 1260 O TYR B 32 161.262 9.082 12.899 1.00 0.67 O ATOM 1261 CB TYR B 32 160.964 9.417 9.658 1.00 0.60 C ATOM 1262 CG TYR B 32 161.332 9.088 8.223 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.498 8.392 7.925 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.511 9.472 7.169 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.836 8.092 6.621 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.845 9.175 5.861 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.008 8.485 5.593 1.00 1.21 C ATOM 1268 OH TYR B 32 162.347 8.196 4.293 1.00 1.53 O ATOM 0 H TYR B 32 160.328 7.081 9.144 1.00 0.49 H new ATOM 0 HA TYR B 32 162.274 8.137 10.798 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.913 9.702 9.696 1.00 0.60 H new ATOM 0 HB3 TYR B 32 161.541 10.284 9.980 1.00 0.60 H new ATOM 0 HD1 TYR B 32 163.150 8.081 8.728 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.598 10.011 7.375 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.746 7.551 6.408 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.198 9.482 5.053 1.00 1.17 H new ATOM 0 HH TYR B 32 161.656 8.542 3.690 1.00 1.53 H new ATOM 1278 N ILE B 33 159.270 8.343 12.143 1.00 0.54 N ATOM 1279 CA ILE B 33 158.569 8.612 13.402 1.00 0.64 C ATOM 1280 C ILE B 33 159.188 7.812 14.559 1.00 0.58 C ATOM 1281 O ILE B 33 159.054 8.188 15.725 1.00 0.78 O ATOM 1282 CB ILE B 33 157.061 8.282 13.293 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.377 9.252 12.324 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.392 8.338 14.662 1.00 0.98 C ATOM 1285 CD1 ILE B 33 154.969 8.843 11.943 1.00 0.87 C ATOM 0 H ILE B 33 158.682 7.948 11.409 1.00 0.54 H new ATOM 0 HA ILE B 33 158.678 9.677 13.607 1.00 0.64 H new ATOM 0 HB ILE B 33 156.958 7.268 12.907 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.348 10.243 12.777 1.00 0.84 H new ATOM 0 HG13 ILE B 33 156.980 9.333 11.419 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.333 8.102 14.559 1.00 0.98 H new ATOM 0 HG22 ILE B 33 156.862 7.613 15.327 1.00 0.98 H new ATOM 0 HG23 ILE B 33 156.502 9.339 15.080 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.550 9.578 11.255 1.00 0.87 H new ATOM 0 HD12 ILE B 33 154.992 7.866 11.460 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.350 8.791 12.839 1.00 0.87 H new ATOM 1297 N ASP B 34 159.893 6.729 14.220 1.00 0.46 N ATOM 1298 CA ASP B 34 160.558 5.897 15.218 1.00 0.50 C ATOM 1299 C ASP B 34 161.850 6.563 15.697 1.00 0.40 C ATOM 1300 O ASP B 34 162.208 6.447 16.860 1.00 0.45 O ATOM 1301 CB ASP B 34 160.852 4.503 14.649 1.00 0.69 C ATOM 1302 CG ASP B 34 160.494 3.382 15.613 1.00 0.82 C ATOM 1303 OD1 ASP B 34 159.529 3.542 16.393 1.00 1.34 O ATOM 1304 OD2 ASP B 34 161.179 2.338 15.584 1.00 1.46 O ATOM 0 H ASP B 34 160.016 6.410 13.259 1.00 0.46 H new ATOM 0 HA ASP B 34 159.890 5.786 16.072 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.295 4.370 13.722 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.910 4.435 14.397 1.00 0.69 H new ATOM 1309 N ASN B 35 162.538 7.260 14.783 1.00 0.52 N ATOM 1310 CA ASN B 35 163.791 7.958 15.101 1.00 0.58 C ATOM 1311 C ASN B 35 163.700 8.671 16.454 1.00 0.49 C ATOM 1312 O ASN B 35 164.651 8.650 17.236 1.00 0.61 O ATOM 1313 CB ASN B 35 164.143 8.971 14.005 1.00 0.78 C ATOM 1314 CG ASN B 35 164.659 8.311 12.738 1.00 0.90 C ATOM 1315 OD1 ASN B 35 165.371 7.308 12.791 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.305 8.875 11.588 1.00 1.31 N ATOM 0 H ASN B 35 162.245 7.356 13.811 1.00 0.52 H new ATOM 0 HA ASN B 35 164.579 7.207 15.157 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.260 9.564 13.767 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.897 9.661 14.383 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.625 8.477 10.705 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.713 9.706 11.588 1.00 1.31 H new ATOM 1323 N LEU B 36 162.542 9.281 16.731 1.00 0.44 N ATOM 1324 CA LEU B 36 162.322 9.976 18.001 1.00 0.51 C ATOM 1325 C LEU B 36 162.400 8.982 19.161 1.00 0.47 C ATOM 1326 O LEU B 36 163.069 9.232 20.165 1.00 0.59 O ATOM 1327 CB LEU B 36 160.960 10.681 18.006 1.00 0.71 C ATOM 1328 CG LEU B 36 160.643 11.510 16.755 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.151 11.798 16.670 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.441 12.806 16.754 1.00 1.64 C ATOM 0 H LEU B 36 161.746 9.307 16.094 1.00 0.44 H new ATOM 0 HA LEU B 36 163.100 10.729 18.121 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.181 9.929 18.129 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.912 11.335 18.876 1.00 0.71 H new ATOM 0 HG LEU B 36 160.931 10.932 15.877 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.944 12.387 15.776 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.601 10.858 16.620 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.837 12.355 17.553 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.202 13.380 15.859 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.187 13.391 17.638 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.507 12.577 16.765 1.00 1.64 H new ATOM 1342 N LEU B 37 161.723 7.843 18.996 1.00 0.41 N ATOM 1343 CA LEU B 37 161.715 6.782 19.999 1.00 0.48 C ATOM 1344 C LEU B 37 162.328 5.503 19.416 1.00 0.41 C ATOM 1345 O LEU B 37 161.663 4.468 19.316 1.00 0.54 O ATOM 1346 CB LEU B 37 160.284 6.516 20.486 1.00 0.65 C ATOM 1347 CG LEU B 37 159.246 6.288 19.379 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.261 5.200 19.782 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.513 7.584 19.059 1.00 0.69 C ATOM 0 H LEU B 37 161.168 7.633 18.166 1.00 0.41 H new ATOM 0 HA LEU B 37 162.314 7.101 20.852 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.296 5.641 21.136 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.962 7.361 21.095 1.00 0.65 H new ATOM 0 HG LEU B 37 159.769 5.959 18.481 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.534 5.054 18.984 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.799 4.269 19.957 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.744 5.497 20.694 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.781 7.403 18.272 1.00 0.69 H new ATOM 0 HD22 LEU B 37 158.003 7.944 19.953 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.229 8.334 18.723 1.00 0.69 H new ATOM 1361 N VAL B 38 163.598 5.595 19.011 1.00 0.36 N ATOM 1362 CA VAL B 38 164.309 4.465 18.406 1.00 0.49 C ATOM 1363 C VAL B 38 164.131 3.186 19.226 1.00 0.67 C ATOM 1364 O VAL B 38 163.845 3.240 20.422 1.00 1.35 O ATOM 1365 CB VAL B 38 165.822 4.767 18.255 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.540 3.629 17.542 1.00 1.31 C ATOM 1367 CG2 VAL B 38 166.041 6.078 17.513 1.00 0.89 C ATOM 0 H VAL B 38 164.157 6.444 19.092 1.00 0.36 H new ATOM 0 HA VAL B 38 163.874 4.315 17.418 1.00 0.49 H new ATOM 0 HB VAL B 38 166.243 4.861 19.256 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.599 3.868 17.450 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.424 2.709 18.116 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.111 3.494 16.549 1.00 1.31 H new ATOM 0 HG21 VAL B 38 167.110 6.269 17.419 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.595 6.013 16.520 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.574 6.892 18.067 1.00 0.89 H new ATOM 1377 N ARG B 39 164.282 2.044 18.545 1.00 0.54 N ATOM 1378 CA ARG B 39 164.124 0.719 19.157 1.00 0.62 C ATOM 1379 C ARG B 39 164.928 0.580 20.454 1.00 0.51 C ATOM 1380 O ARG B 39 166.036 0.038 20.461 1.00 0.63 O ATOM 1381 CB ARG B 39 164.536 -0.373 18.165 1.00 0.93 C ATOM 1382 CG ARG B 39 163.475 -0.675 17.118 1.00 1.15 C ATOM 1383 CD ARG B 39 164.007 -1.605 16.038 1.00 1.41 C ATOM 1384 NE ARG B 39 163.259 -2.861 15.972 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.261 -3.680 14.916 1.00 1.77 C ATOM 1386 NH1 ARG B 39 163.969 -3.380 13.829 1.00 2.06 N ATOM 1387 NH2 ARG B 39 162.554 -4.804 14.948 1.00 2.18 N ATOM 0 H ARG B 39 164.517 2.012 17.553 1.00 0.54 H new ATOM 0 HA ARG B 39 163.071 0.603 19.412 1.00 0.62 H new ATOM 0 HB2 ARG B 39 165.454 -0.068 17.663 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.762 -1.286 18.716 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.608 -1.130 17.597 1.00 1.15 H new ATOM 0 HG3 ARG B 39 163.135 0.256 16.663 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.957 -1.103 15.072 1.00 1.41 H new ATOM 0 HD3 ARG B 39 165.058 -1.820 16.231 1.00 1.41 H new ATOM 0 HE ARG B 39 162.701 -3.128 16.783 1.00 1.58 H new ATOM 0 HH11 ARG B 39 164.516 -2.519 13.798 1.00 2.06 H new ATOM 0 HH12 ARG B 39 163.965 -4.011 13.027 1.00 2.06 H new ATOM 0 HH21 ARG B 39 162.010 -5.041 15.778 1.00 2.18 H new ATOM 0 HH22 ARG B 39 162.555 -5.430 14.143 1.00 2.18 H new ATOM 1401 N VAL B 40 164.348 1.072 21.550 1.00 0.43 N ATOM 1402 CA VAL B 40 164.976 1.014 22.868 1.00 0.56 C ATOM 1403 C VAL B 40 163.904 0.926 23.959 1.00 0.71 C ATOM 1404 O VAL B 40 163.803 1.798 24.826 1.00 1.15 O ATOM 1405 CB VAL B 40 165.880 2.246 23.130 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.656 2.079 24.430 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.834 2.480 21.967 1.00 0.65 C ATOM 0 H VAL B 40 163.432 1.521 21.548 1.00 0.43 H new ATOM 0 HA VAL B 40 165.603 0.123 22.892 1.00 0.56 H new ATOM 0 HB VAL B 40 165.236 3.120 23.223 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.284 2.955 24.594 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.957 1.973 25.260 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.283 1.190 24.368 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.457 3.350 22.176 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.468 1.603 21.835 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.261 2.654 21.056 1.00 0.65 H new ATOM 1417 N MET B 41 163.093 -0.131 23.897 1.00 0.60 N ATOM 1418 CA MET B 41 162.018 -0.335 24.865 1.00 0.74 C ATOM 1419 C MET B 41 162.324 -1.515 25.787 1.00 0.91 C ATOM 1420 O MET B 41 162.589 -2.622 25.269 1.00 0.91 O ATOM 1421 CB MET B 41 160.686 -0.564 24.140 1.00 0.73 C ATOM 1422 CG MET B 41 160.399 0.457 23.048 1.00 0.74 C ATOM 1423 SD MET B 41 158.938 0.045 22.075 1.00 0.86 S ATOM 1424 CE MET B 41 159.450 0.580 20.443 1.00 0.70 C ATOM 1425 OXT MET B 41 162.298 -1.321 27.021 1.00 1.13 O ATOM 0 H MET B 41 163.161 -0.859 23.186 1.00 0.60 H new ATOM 0 HA MET B 41 161.940 0.564 25.477 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.689 -1.561 23.701 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.877 -0.539 24.870 1.00 0.73 H new ATOM 0 HG2 MET B 41 160.263 1.439 23.501 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.263 0.528 22.387 1.00 0.74 H new ATOM 0 HE1 MET B 41 158.648 0.389 19.729 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.672 1.647 20.463 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.341 0.029 20.143 1.00 0.70 H new TER 1435 MET B 41