USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 898 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 63 HIS : no HD1:sc= -0.0795 X(o=-1.5,f=-1.4) USER MOD Set 1.2: A 64 HIS : no HD1:sc= -1.39! C(o=-1.5!,f=-5.8!) USER MOD Set 2.1: A 10 TYR OH : rot 15:sc= 0.854 USER MOD Set 2.2: A 60 THR OG1 : rot -70:sc= 0.142 USER MOD Set 3.1: A 36 ASN : amide:sc= 1.69 K(o=3.3,f=-0.036) USER MOD Set 3.2: A 50 ASN : amide:sc= 0.799 K(o=3.3,f=-0.3) USER MOD Set 3.3: A 51 GLN : amide:sc= 0.791 K(o=3.3,f=-0.21) USER MOD Set 4.1: A 40 GLN : amide:sc= -0.0255 X(o=-0.22,f=-0.55) USER MOD Set 4.2: A 47 MET CE :methyl -145:sc= -0.262 (180deg=-0.363) USER MOD Set 4.3: A 49 SER OG : rot 180:sc= 0.0692 USER MOD Set 5.1: A 16 HIS : no HD1:sc= -0.0733 X(o=-1.7,f=-2.1) USER MOD Set 5.2: A 19 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-2.7!) USER MOD Set 6.1: A 3 HIS : no HE2:sc= -0.943 K(o=-0.94,f=-1.4) USER MOD Set 6.2: A 4 MET CE :methyl -110:sc= 0 (180deg=-0.494) USER MOD Set 6.3: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.339) USER MOD Single : A 23 THR OG1 : rot 170:sc= 0 USER MOD Single : A 33 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 41 MET CE :methyl -147:sc= -0.449 (180deg=-0.699) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.394 K(o=-0.39,f=-1.1) USER MOD Single : A 45 THR OG1 : rot -24:sc= 0.559 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 15:sc= 0.00744 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -145:sc= 0.259 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0427 X(o=-0.043,f=-0.043) USER MOD Single : A 83 GLN : amide:sc= 0.189 X(o=0.19,f=0) USER MOD Single : A 86 TYR OH : rot -150:sc= 0.746 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.382 USER MOD Single : A 90 LYS NZ :NH3+ -111:sc= 0.746 (180deg=-0.248) USER MOD Single : A 98 ASN : amide:sc= 1.16 K(o=1.2,f=-0.05) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 110:sc= -0.0424 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 145:sc= -1.3 (180deg=-4.47!) USER MOD Single : A 113 ASN : amide:sc= 1.11 K(o=1.1,f=-0.34) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N HIS A 3 -13.820 -5.612 6.904 1.00 0.00 N ATOM 20 CA HIS A 3 -13.113 -4.848 5.871 1.00 0.00 C ATOM 21 C HIS A 3 -12.693 -5.744 4.702 1.00 0.00 C ATOM 22 O HIS A 3 -12.784 -5.317 3.556 1.00 0.00 O ATOM 23 CB HIS A 3 -11.928 -4.095 6.487 1.00 0.00 C ATOM 24 CG HIS A 3 -10.728 -4.960 6.758 1.00 0.00 C ATOM 25 ND1 HIS A 3 -10.617 -5.972 7.685 1.00 0.00 N ATOM 26 CD2 HIS A 3 -9.579 -4.947 6.022 1.00 0.00 C ATOM 27 CE1 HIS A 3 -9.408 -6.535 7.518 1.00 0.00 C ATOM 28 NE2 HIS A 3 -8.741 -5.942 6.515 1.00 0.00 N ATOM 0 HA HIS A 3 -13.795 -4.106 5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.636 -3.287 5.817 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.249 -3.634 7.421 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -11.321 -6.244 8.371 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.359 -4.281 5.201 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.025 -7.353 8.110 1.00 0.00 H new ATOM 36 N MET A 4 -12.363 -7.016 4.963 1.00 0.00 N ATOM 37 CA MET A 4 -12.025 -8.022 3.951 1.00 0.00 C ATOM 38 C MET A 4 -13.132 -8.227 2.913 1.00 0.00 C ATOM 39 O MET A 4 -12.913 -8.865 1.888 1.00 0.00 O ATOM 40 CB MET A 4 -11.755 -9.368 4.642 1.00 0.00 C ATOM 41 CG MET A 4 -10.545 -9.379 5.580 1.00 0.00 C ATOM 42 SD MET A 4 -8.986 -9.920 4.833 1.00 0.00 S ATOM 43 CE MET A 4 -8.373 -8.419 4.014 1.00 0.00 C ATOM 0 H MET A 4 -12.323 -7.383 5.914 1.00 0.00 H new ATOM 0 HA MET A 4 -11.143 -7.655 3.427 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.640 -9.652 5.211 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.610 -10.130 3.877 1.00 0.00 H new ATOM 0 HG2 MET A 4 -10.407 -8.374 5.979 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.768 -10.030 6.425 1.00 0.00 H new ATOM 0 HE1 MET A 4 -8.439 -8.542 2.933 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.977 -7.565 4.320 1.00 0.00 H new ATOM 0 HE3 MET A 4 -7.334 -8.249 4.297 1.00 0.00 H new ATOM 53 N GLU A 5 -14.346 -7.737 3.158 1.00 0.00 N ATOM 54 CA GLU A 5 -15.436 -7.860 2.197 1.00 0.00 C ATOM 55 C GLU A 5 -15.274 -6.927 1.020 1.00 0.00 C ATOM 56 O GLU A 5 -15.747 -7.245 -0.070 1.00 0.00 O ATOM 57 CB GLU A 5 -16.797 -7.568 2.837 1.00 0.00 C ATOM 58 CG GLU A 5 -16.991 -8.313 4.151 1.00 0.00 C ATOM 59 CD GLU A 5 -16.728 -9.822 4.068 1.00 0.00 C ATOM 60 OE1 GLU A 5 -16.757 -10.406 2.956 1.00 0.00 O ATOM 61 OE2 GLU A 5 -16.417 -10.406 5.130 1.00 0.00 O ATOM 0 H GLU A 5 -14.598 -7.250 4.018 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.397 -8.893 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.891 -6.496 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.590 -7.848 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.328 -7.882 4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -18.012 -8.153 4.498 1.00 0.00 H new ATOM 68 N VAL A 6 -14.640 -5.781 1.254 1.00 0.00 N ATOM 69 CA VAL A 6 -14.444 -4.756 0.249 1.00 0.00 C ATOM 70 C VAL A 6 -13.424 -5.261 -0.777 1.00 0.00 C ATOM 71 O VAL A 6 -13.523 -4.974 -1.965 1.00 0.00 O ATOM 72 CB VAL A 6 -14.014 -3.461 0.970 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.620 -2.337 0.011 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.160 -2.974 1.870 1.00 0.00 C ATOM 0 H VAL A 6 -14.244 -5.541 2.163 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.356 -4.533 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.129 -3.707 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.329 -1.456 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.783 -2.662 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.468 -2.090 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.858 -2.059 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.042 -2.776 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.394 -3.741 2.608 1.00 0.00 H new ATOM 84 N PHE A 7 -12.465 -6.057 -0.308 1.00 0.00 N ATOM 85 CA PHE A 7 -11.303 -6.498 -1.067 1.00 0.00 C ATOM 86 C PHE A 7 -11.444 -7.942 -1.562 1.00 0.00 C ATOM 87 O PHE A 7 -10.597 -8.416 -2.314 1.00 0.00 O ATOM 88 CB PHE A 7 -10.054 -6.264 -0.199 1.00 0.00 C ATOM 89 CG PHE A 7 -9.947 -4.837 0.329 1.00 0.00 C ATOM 90 CD1 PHE A 7 -10.015 -3.755 -0.573 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.835 -4.572 1.712 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.971 -2.431 -0.107 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.788 -3.244 2.172 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.852 -2.175 1.265 1.00 0.00 C ATOM 0 H PHE A 7 -12.479 -6.424 0.644 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.209 -5.913 -1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.070 -6.956 0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.164 -6.495 -0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.102 -3.946 -1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.785 -5.389 2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -10.029 -1.610 -0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.702 -3.045 3.230 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.810 -1.157 1.624 1.00 0.00 H new ATOM 104 N ALA A 8 -12.532 -8.636 -1.227 1.00 0.00 N ATOM 105 CA ALA A 8 -12.729 -10.047 -1.547 1.00 0.00 C ATOM 106 C ALA A 8 -12.657 -10.265 -3.061 1.00 0.00 C ATOM 107 O ALA A 8 -11.900 -11.093 -3.574 1.00 0.00 O ATOM 108 CB ALA A 8 -14.095 -10.465 -0.996 1.00 0.00 C ATOM 0 H ALA A 8 -13.314 -8.225 -0.717 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.945 -10.655 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.271 -11.517 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.113 -10.316 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.875 -9.860 -1.459 1.00 0.00 H new ATOM 114 N GLU A 9 -13.433 -9.454 -3.778 1.00 0.00 N ATOM 115 CA GLU A 9 -13.536 -9.488 -5.223 1.00 0.00 C ATOM 116 C GLU A 9 -12.252 -9.003 -5.914 1.00 0.00 C ATOM 117 O GLU A 9 -12.098 -9.219 -7.118 1.00 0.00 O ATOM 118 CB GLU A 9 -14.731 -8.615 -5.639 1.00 0.00 C ATOM 119 CG GLU A 9 -16.093 -9.245 -5.306 1.00 0.00 C ATOM 120 CD GLU A 9 -17.293 -8.435 -5.817 1.00 0.00 C ATOM 121 OE1 GLU A 9 -17.114 -7.404 -6.504 1.00 0.00 O ATOM 122 OE2 GLU A 9 -18.443 -8.875 -5.604 1.00 0.00 O ATOM 0 H GLU A 9 -14.021 -8.738 -3.351 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.683 -10.521 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.655 -7.648 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.678 -8.427 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.134 -10.246 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.176 -9.357 -4.225 1.00 0.00 H new ATOM 129 N TYR A 10 -11.320 -8.376 -5.189 1.00 0.00 N ATOM 130 CA TYR A 10 -9.984 -8.111 -5.685 1.00 0.00 C ATOM 131 C TYR A 10 -9.158 -9.396 -5.672 1.00 0.00 C ATOM 132 O TYR A 10 -8.663 -9.806 -6.727 1.00 0.00 O ATOM 133 CB TYR A 10 -9.325 -7.005 -4.856 1.00 0.00 C ATOM 134 CG TYR A 10 -8.003 -6.547 -5.417 1.00 0.00 C ATOM 135 CD1 TYR A 10 -7.974 -5.939 -6.682 1.00 0.00 C ATOM 136 CD2 TYR A 10 -6.812 -6.746 -4.693 1.00 0.00 C ATOM 137 CE1 TYR A 10 -6.753 -5.527 -7.229 1.00 0.00 C ATOM 138 CE2 TYR A 10 -5.584 -6.322 -5.231 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.562 -5.706 -6.500 1.00 0.00 C ATOM 140 OH TYR A 10 -4.400 -5.291 -7.051 1.00 0.00 O ATOM 0 H TYR A 10 -11.481 -8.041 -4.239 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.041 -7.762 -6.716 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.002 -6.153 -4.797 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.175 -7.364 -3.838 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.891 -5.789 -7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.842 -7.224 -3.725 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.725 -5.073 -8.208 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.667 -6.466 -4.679 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.590 -4.698 -7.808 1.00 0.00 H new ATOM 150 N LEU A 11 -9.028 -10.036 -4.499 1.00 0.00 N ATOM 151 CA LEU A 11 -8.182 -11.214 -4.274 1.00 0.00 C ATOM 152 C LEU A 11 -8.512 -12.334 -5.247 1.00 0.00 C ATOM 153 O LEU A 11 -7.596 -12.907 -5.843 1.00 0.00 O ATOM 154 CB LEU A 11 -8.297 -11.721 -2.820 1.00 0.00 C ATOM 155 CG LEU A 11 -7.417 -11.012 -1.770 1.00 0.00 C ATOM 156 CD1 LEU A 11 -5.948 -10.925 -2.181 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.846 -9.592 -1.449 1.00 0.00 C ATOM 0 H LEU A 11 -9.523 -9.738 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.152 -10.903 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.338 -11.631 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.052 -12.783 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.546 -11.646 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.382 -10.416 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.549 -11.930 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.864 -10.367 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.174 -9.169 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.809 -8.987 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.864 -9.599 -1.058 1.00 0.00 H new ATOM 169 N LYS A 12 -9.803 -12.607 -5.465 1.00 0.00 N ATOM 170 CA LYS A 12 -10.238 -13.644 -6.403 1.00 0.00 C ATOM 171 C LYS A 12 -9.629 -13.458 -7.797 1.00 0.00 C ATOM 172 O LYS A 12 -9.426 -14.433 -8.529 1.00 0.00 O ATOM 173 CB LYS A 12 -11.777 -13.676 -6.456 1.00 0.00 C ATOM 174 CG LYS A 12 -12.361 -12.626 -7.409 1.00 0.00 C ATOM 175 CD LYS A 12 -13.880 -12.648 -7.404 1.00 0.00 C ATOM 176 CE LYS A 12 -14.417 -11.452 -8.183 1.00 0.00 C ATOM 177 NZ LYS A 12 -15.885 -11.502 -8.222 1.00 0.00 N ATOM 0 H LYS A 12 -10.569 -12.119 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.875 -14.606 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.105 -14.667 -6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.174 -13.512 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.010 -11.636 -7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.997 -12.809 -8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.241 -13.575 -7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.250 -12.622 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.088 -10.524 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.017 -11.457 -9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.257 -10.568 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.190 -12.209 -8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.248 -11.764 -7.284 1.00 0.00 H new ATOM 191 N GLY A 13 -9.395 -12.208 -8.199 1.00 0.00 N ATOM 192 CA GLY A 13 -9.048 -11.848 -9.560 1.00 0.00 C ATOM 193 C GLY A 13 -7.566 -12.033 -9.852 1.00 0.00 C ATOM 194 O GLY A 13 -7.200 -12.078 -11.029 1.00 0.00 O ATOM 0 H GLY A 13 -9.444 -11.407 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.630 -12.456 -10.253 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.323 -10.809 -9.739 1.00 0.00 H new ATOM 198 N ILE A 14 -6.715 -12.122 -8.826 1.00 0.00 N ATOM 199 CA ILE A 14 -5.275 -12.281 -8.968 1.00 0.00 C ATOM 200 C ILE A 14 -5.034 -13.689 -9.519 1.00 0.00 C ATOM 201 O ILE A 14 -5.350 -14.675 -8.855 1.00 0.00 O ATOM 202 CB ILE A 14 -4.564 -11.999 -7.618 1.00 0.00 C ATOM 203 CG1 ILE A 14 -4.919 -10.588 -7.079 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.039 -12.117 -7.809 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.488 -10.332 -5.632 1.00 0.00 C ATOM 0 H ILE A 14 -7.021 -12.084 -7.854 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.847 -11.560 -9.665 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.905 -12.734 -6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.453 -9.840 -7.721 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.997 -10.445 -7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.537 -11.919 -6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.791 -13.123 -8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.708 -11.392 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.776 -9.322 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.974 -11.053 -4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.406 -10.438 -5.550 1.00 0.00 H new ATOM 217 N ASP A 15 -4.508 -13.807 -10.740 1.00 0.00 N ATOM 218 CA ASP A 15 -4.247 -15.087 -11.422 1.00 0.00 C ATOM 219 C ASP A 15 -2.931 -15.731 -10.942 1.00 0.00 C ATOM 220 O ASP A 15 -2.468 -16.745 -11.477 1.00 0.00 O ATOM 221 CB ASP A 15 -4.251 -14.861 -12.944 1.00 0.00 C ATOM 222 CG ASP A 15 -5.368 -15.646 -13.624 1.00 0.00 C ATOM 223 OD1 ASP A 15 -5.190 -16.856 -13.884 1.00 0.00 O ATOM 224 OD2 ASP A 15 -6.432 -15.040 -13.912 1.00 0.00 O ATOM 0 H ASP A 15 -4.243 -12.997 -11.301 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.040 -15.791 -11.169 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.372 -13.798 -13.155 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.289 -15.161 -13.360 1.00 0.00 H new ATOM 229 N HIS A 16 -2.317 -15.120 -9.929 1.00 0.00 N ATOM 230 CA HIS A 16 -0.991 -15.382 -9.398 1.00 0.00 C ATOM 231 C HIS A 16 -1.069 -15.624 -7.877 1.00 0.00 C ATOM 232 O HIS A 16 -0.666 -14.757 -7.096 1.00 0.00 O ATOM 233 CB HIS A 16 -0.087 -14.192 -9.796 1.00 0.00 C ATOM 234 CG HIS A 16 0.891 -14.501 -10.896 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.649 -15.643 -11.020 1.00 0.00 N ATOM 236 CD2 HIS A 16 1.289 -13.627 -11.869 1.00 0.00 C ATOM 237 CE1 HIS A 16 2.493 -15.458 -12.044 1.00 0.00 C ATOM 238 NE2 HIS A 16 2.326 -14.236 -12.588 1.00 0.00 N ATOM 0 H HIS A 16 -2.779 -14.366 -9.420 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.556 -16.291 -9.814 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.718 -13.360 -10.109 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.465 -13.860 -8.917 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.878 -12.645 -12.051 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.210 -16.189 -12.387 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.849 -13.835 -13.366 1.00 0.00 H new ATOM 246 N PRO A 17 -1.556 -16.791 -7.421 1.00 0.00 N ATOM 247 CA PRO A 17 -1.706 -17.091 -6.002 1.00 0.00 C ATOM 248 C PRO A 17 -0.379 -17.026 -5.239 1.00 0.00 C ATOM 249 O PRO A 17 -0.373 -16.610 -4.083 1.00 0.00 O ATOM 250 CB PRO A 17 -2.364 -18.470 -5.922 1.00 0.00 C ATOM 251 CG PRO A 17 -2.074 -19.095 -7.281 1.00 0.00 C ATOM 252 CD PRO A 17 -2.037 -17.899 -8.221 1.00 0.00 C ATOM 0 HA PRO A 17 -2.327 -16.339 -5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.945 -19.066 -5.111 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.436 -18.391 -5.739 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.127 -19.635 -7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.847 -19.808 -7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.377 -18.086 -9.068 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.026 -17.689 -8.628 1.00 0.00 H new ATOM 260 N ASP A 18 0.748 -17.340 -5.888 1.00 0.00 N ATOM 261 CA ASP A 18 2.082 -17.368 -5.267 1.00 0.00 C ATOM 262 C ASP A 18 2.591 -15.961 -4.914 1.00 0.00 C ATOM 263 O ASP A 18 3.702 -15.802 -4.406 1.00 0.00 O ATOM 264 CB ASP A 18 3.089 -18.021 -6.222 1.00 0.00 C ATOM 265 CG ASP A 18 2.740 -19.438 -6.654 1.00 0.00 C ATOM 266 OD1 ASP A 18 2.577 -20.339 -5.806 1.00 0.00 O ATOM 267 OD2 ASP A 18 2.679 -19.643 -7.890 1.00 0.00 O ATOM 0 H ASP A 18 0.761 -17.587 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 18 1.990 -17.943 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.180 -17.398 -7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.067 -18.034 -5.741 1.00 0.00 H new ATOM 272 N HIS A 19 1.811 -14.929 -5.238 1.00 0.00 N ATOM 273 CA HIS A 19 2.134 -13.513 -5.068 1.00 0.00 C ATOM 274 C HIS A 19 0.951 -12.786 -4.413 1.00 0.00 C ATOM 275 O HIS A 19 1.132 -11.854 -3.625 1.00 0.00 O ATOM 276 CB HIS A 19 2.477 -12.910 -6.441 1.00 0.00 C ATOM 277 CG HIS A 19 3.341 -13.807 -7.299 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.871 -14.733 -8.200 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.681 -14.035 -7.149 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.900 -15.508 -8.566 1.00 0.00 C ATOM 281 NE2 HIS A 19 5.034 -15.105 -7.976 1.00 0.00 N ATOM 0 H HIS A 19 0.887 -15.067 -5.648 1.00 0.00 H new ATOM 0 HA HIS A 19 2.998 -13.397 -4.414 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.551 -12.693 -6.974 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.990 -11.960 -6.293 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.350 -13.484 -6.504 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.826 -16.345 -9.245 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.966 -15.499 -8.105 1.00 0.00 H new ATOM 289 N ARG A 20 -0.267 -13.272 -4.684 1.00 0.00 N ATOM 290 CA ARG A 20 -1.497 -12.890 -4.017 1.00 0.00 C ATOM 291 C ARG A 20 -1.324 -12.942 -2.509 1.00 0.00 C ATOM 292 O ARG A 20 -1.720 -11.995 -1.838 1.00 0.00 O ATOM 293 CB ARG A 20 -2.627 -13.844 -4.446 1.00 0.00 C ATOM 294 CG ARG A 20 -3.967 -13.456 -3.810 1.00 0.00 C ATOM 295 CD ARG A 20 -4.544 -14.525 -2.872 1.00 0.00 C ATOM 296 NE ARG A 20 -5.407 -15.442 -3.624 1.00 0.00 N ATOM 297 CZ ARG A 20 -6.449 -16.129 -3.144 1.00 0.00 C ATOM 298 NH1 ARG A 20 -6.740 -16.103 -1.848 1.00 0.00 N ATOM 299 NH2 ARG A 20 -7.205 -16.828 -3.989 1.00 0.00 N ATOM 0 H ARG A 20 -0.418 -13.974 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.751 -11.869 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.722 -13.831 -5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.370 -14.864 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.838 -12.529 -3.252 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.689 -13.254 -4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.734 -15.081 -2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.113 -14.050 -2.073 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.191 -15.568 -4.613 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.166 -15.555 -1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.537 -16.631 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.985 -16.833 -4.985 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.004 -17.358 -3.640 1.00 0.00 H new ATOM 313 N ASP A 21 -0.775 -14.036 -1.980 1.00 0.00 N ATOM 314 CA ASP A 21 -0.810 -14.272 -0.539 1.00 0.00 C ATOM 315 C ASP A 21 -0.069 -13.177 0.234 1.00 0.00 C ATOM 316 O ASP A 21 -0.569 -12.699 1.250 1.00 0.00 O ATOM 317 CB ASP A 21 -0.282 -15.669 -0.207 1.00 0.00 C ATOM 318 CG ASP A 21 -1.034 -16.225 0.996 1.00 0.00 C ATOM 319 OD1 ASP A 21 -2.197 -16.667 0.798 1.00 0.00 O ATOM 320 OD2 ASP A 21 -0.487 -16.275 2.107 1.00 0.00 O ATOM 0 H ASP A 21 -0.307 -14.763 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.850 -14.227 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.407 -16.330 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.786 -15.624 0.007 1.00 0.00 H new ATOM 325 N ARG A 22 1.047 -12.669 -0.313 1.00 0.00 N ATOM 326 CA ARG A 22 1.767 -11.549 0.299 1.00 0.00 C ATOM 327 C ARG A 22 0.919 -10.278 0.325 1.00 0.00 C ATOM 328 O ARG A 22 1.124 -9.425 1.187 1.00 0.00 O ATOM 329 CB ARG A 22 3.088 -11.236 -0.425 1.00 0.00 C ATOM 330 CG ARG A 22 4.009 -12.438 -0.714 1.00 0.00 C ATOM 331 CD ARG A 22 5.497 -12.056 -0.671 1.00 0.00 C ATOM 332 NE ARG A 22 5.808 -10.812 -1.409 1.00 0.00 N ATOM 333 CZ ARG A 22 6.982 -10.162 -1.350 1.00 0.00 C ATOM 334 NH1 ARG A 22 7.964 -10.594 -0.573 1.00 0.00 N ATOM 335 NH2 ARG A 22 7.206 -9.060 -2.063 1.00 0.00 N ATOM 0 H ARG A 22 1.466 -13.017 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 22 1.987 -11.866 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.853 -10.750 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.644 -10.515 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.817 -13.224 0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.770 -12.849 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.804 -11.939 0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.086 -12.873 -1.087 1.00 0.00 H new ATOM 0 HE ARG A 22 5.079 -10.420 -2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.835 -11.433 -0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.849 -10.088 -0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.477 -8.690 -2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.107 -8.586 -1.999 1.00 0.00 H new ATOM 349 N THR A 23 0.029 -10.107 -0.652 1.00 0.00 N ATOM 350 CA THR A 23 -0.843 -8.946 -0.761 1.00 0.00 C ATOM 351 C THR A 23 -1.916 -9.006 0.336 1.00 0.00 C ATOM 352 O THR A 23 -2.178 -7.990 0.977 1.00 0.00 O ATOM 353 CB THR A 23 -1.433 -8.861 -2.182 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.417 -9.005 -3.165 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.112 -7.510 -2.431 1.00 0.00 C ATOM 0 H THR A 23 -0.106 -10.786 -1.402 1.00 0.00 H new ATOM 0 HA THR A 23 -0.276 -8.028 -0.605 1.00 0.00 H new ATOM 0 HB THR A 23 -2.162 -9.668 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.829 -9.109 -4.048 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.516 -7.487 -3.443 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.921 -7.372 -1.714 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.382 -6.709 -2.313 1.00 0.00 H new ATOM 363 N GLU A 24 -2.500 -10.178 0.614 1.00 0.00 N ATOM 364 CA GLU A 24 -3.345 -10.390 1.786 1.00 0.00 C ATOM 365 C GLU A 24 -2.666 -9.913 3.074 1.00 0.00 C ATOM 366 O GLU A 24 -3.323 -9.244 3.872 1.00 0.00 O ATOM 367 CB GLU A 24 -3.761 -11.867 1.923 1.00 0.00 C ATOM 368 CG GLU A 24 -5.137 -12.185 1.338 1.00 0.00 C ATOM 369 CD GLU A 24 -6.221 -11.371 2.039 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.600 -11.732 3.176 1.00 0.00 O ATOM 371 OE2 GLU A 24 -6.642 -10.329 1.505 1.00 0.00 O ATOM 0 H GLU A 24 -2.397 -11.006 0.028 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.243 -9.790 1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.015 -12.491 1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.755 -12.138 2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.144 -11.966 0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.347 -13.249 1.446 1.00 0.00 H new ATOM 378 N GLU A 25 -1.375 -10.202 3.281 1.00 0.00 N ATOM 379 CA GLU A 25 -0.704 -9.802 4.521 1.00 0.00 C ATOM 380 C GLU A 25 -0.629 -8.289 4.689 1.00 0.00 C ATOM 381 O GLU A 25 -0.455 -7.812 5.811 1.00 0.00 O ATOM 382 CB GLU A 25 0.750 -10.263 4.585 1.00 0.00 C ATOM 383 CG GLU A 25 0.980 -11.755 4.419 1.00 0.00 C ATOM 384 CD GLU A 25 2.352 -12.188 4.964 1.00 0.00 C ATOM 385 OE1 GLU A 25 3.147 -11.342 5.452 1.00 0.00 O ATOM 386 OE2 GLU A 25 2.622 -13.406 4.955 1.00 0.00 O ATOM 0 H GLU A 25 -0.784 -10.703 2.618 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.312 -10.269 5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.311 -9.740 3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.167 -9.955 5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.194 -12.303 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.909 -12.018 3.364 1.00 0.00 H new ATOM 393 N ILE A 26 -0.618 -7.544 3.587 1.00 0.00 N ATOM 394 CA ILE A 26 -0.593 -6.084 3.594 1.00 0.00 C ATOM 395 C ILE A 26 -1.969 -5.585 4.008 1.00 0.00 C ATOM 396 O ILE A 26 -2.071 -4.674 4.827 1.00 0.00 O ATOM 397 CB ILE A 26 -0.205 -5.541 2.200 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.249 -5.955 1.902 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.405 -4.017 2.114 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.709 -5.619 0.488 1.00 0.00 C ATOM 0 H ILE A 26 -0.626 -7.944 2.649 1.00 0.00 H new ATOM 0 HA ILE A 26 0.155 -5.727 4.302 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.859 -5.971 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.910 -5.463 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.351 -7.028 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.123 -3.668 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.452 -3.776 2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.218 -3.526 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.742 -5.941 0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.073 -6.133 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.641 -4.543 0.329 1.00 0.00 H new ATOM 412 N LEU A 27 -3.013 -6.148 3.401 1.00 0.00 N ATOM 413 CA LEU A 27 -4.374 -5.654 3.508 1.00 0.00 C ATOM 414 C LEU A 27 -4.789 -5.599 4.977 1.00 0.00 C ATOM 415 O LEU A 27 -5.025 -4.505 5.504 1.00 0.00 O ATOM 416 CB LEU A 27 -5.300 -6.518 2.634 1.00 0.00 C ATOM 417 CG LEU A 27 -5.191 -6.173 1.138 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.703 -7.314 0.271 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.028 -4.939 0.790 1.00 0.00 C ATOM 0 H LEU A 27 -2.929 -6.976 2.811 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.449 -4.634 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.054 -7.570 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.331 -6.384 2.960 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.135 -5.987 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.613 -7.041 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.114 -8.211 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.749 -7.509 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.930 -4.721 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.075 -5.131 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.676 -4.085 1.369 1.00 0.00 H new ATOM 431 N SER A 28 -4.850 -6.744 5.658 1.00 0.00 N ATOM 432 CA SER A 28 -5.255 -6.771 7.050 1.00 0.00 C ATOM 433 C SER A 28 -4.272 -6.025 7.965 1.00 0.00 C ATOM 434 O SER A 28 -4.702 -5.543 9.016 1.00 0.00 O ATOM 435 CB SER A 28 -5.350 -8.229 7.489 1.00 0.00 C ATOM 436 OG SER A 28 -6.600 -8.776 7.117 1.00 0.00 O ATOM 0 H SER A 28 -4.624 -7.657 5.264 1.00 0.00 H new ATOM 0 HA SER A 28 -6.216 -6.265 7.136 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.544 -8.805 7.035 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.222 -8.299 8.569 1.00 0.00 H new ATOM 0 HG SER A 28 -6.646 -9.712 7.404 1.00 0.00 H new ATOM 442 N TRP A 29 -2.993 -5.899 7.586 1.00 0.00 N ATOM 443 CA TRP A 29 -2.009 -5.157 8.360 1.00 0.00 C ATOM 444 C TRP A 29 -2.324 -3.667 8.333 1.00 0.00 C ATOM 445 O TRP A 29 -2.239 -3.021 9.377 1.00 0.00 O ATOM 446 CB TRP A 29 -0.597 -5.424 7.836 1.00 0.00 C ATOM 447 CG TRP A 29 0.477 -4.588 8.451 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.027 -4.798 9.664 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.098 -3.371 7.942 1.00 0.00 C ATOM 450 NE1 TRP A 29 1.955 -3.816 9.925 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.030 -2.893 8.908 1.00 0.00 C ATOM 452 CE3 TRP A 29 0.945 -2.603 6.772 1.00 0.00 C ATOM 453 CZ2 TRP A 29 2.793 -1.731 8.711 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.726 -1.454 6.549 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.669 -1.032 7.502 1.00 0.00 C ATOM 0 H TRP A 29 -2.619 -6.312 6.732 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.056 -5.498 9.394 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.358 -6.474 8.002 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.590 -5.262 6.758 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.778 -5.612 10.329 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.521 -3.777 10.773 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.216 -2.901 6.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.466 -1.381 9.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.600 -0.891 5.636 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.295 -0.174 7.304 1.00 0.00 H new ATOM 466 N VAL A 30 -2.705 -3.108 7.180 1.00 0.00 N ATOM 467 CA VAL A 30 -3.128 -1.717 7.110 1.00 0.00 C ATOM 468 C VAL A 30 -4.339 -1.517 8.024 1.00 0.00 C ATOM 469 O VAL A 30 -4.314 -0.610 8.856 1.00 0.00 O ATOM 470 CB VAL A 30 -3.371 -1.283 5.650 1.00 0.00 C ATOM 471 CG1 VAL A 30 -4.118 0.054 5.581 1.00 0.00 C ATOM 472 CG2 VAL A 30 -2.031 -1.139 4.906 1.00 0.00 C ATOM 0 H VAL A 30 -2.727 -3.601 6.287 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.335 -1.063 7.473 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.980 -2.054 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.273 0.331 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.083 -0.042 6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.530 0.826 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.217 -0.832 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.418 -0.387 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.508 -2.095 4.911 1.00 0.00 H new ATOM 482 N ALA A 31 -5.347 -2.391 7.928 1.00 0.00 N ATOM 483 CA ALA A 31 -6.535 -2.311 8.769 1.00 0.00 C ATOM 484 C ALA A 31 -6.202 -2.417 10.259 1.00 0.00 C ATOM 485 O ALA A 31 -6.914 -1.859 11.091 1.00 0.00 O ATOM 486 CB ALA A 31 -7.529 -3.399 8.362 1.00 0.00 C ATOM 0 H ALA A 31 -5.358 -3.168 7.267 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.984 -1.330 8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.416 -3.336 8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.815 -3.259 7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.066 -4.378 8.483 1.00 0.00 H new ATOM 492 N ALA A 32 -5.127 -3.125 10.612 1.00 0.00 N ATOM 493 CA ALA A 32 -4.707 -3.274 11.989 1.00 0.00 C ATOM 494 C ALA A 32 -4.006 -2.011 12.482 1.00 0.00 C ATOM 495 O ALA A 32 -4.381 -1.459 13.513 1.00 0.00 O ATOM 496 CB ALA A 32 -3.777 -4.478 12.134 1.00 0.00 C ATOM 0 H ALA A 32 -4.528 -3.609 9.943 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.596 -3.437 12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.470 -4.577 13.175 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.301 -5.382 11.823 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.896 -4.335 11.508 1.00 0.00 H new ATOM 502 N THR A 33 -2.952 -1.618 11.771 1.00 0.00 N ATOM 503 CA THR A 33 -1.959 -0.637 12.190 1.00 0.00 C ATOM 504 C THR A 33 -2.470 0.789 12.019 1.00 0.00 C ATOM 505 O THR A 33 -2.038 1.684 12.754 1.00 0.00 O ATOM 506 CB THR A 33 -0.712 -0.820 11.316 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.387 -2.182 11.142 1.00 0.00 O ATOM 508 CG2 THR A 33 0.551 -0.199 11.915 1.00 0.00 C ATOM 0 H THR A 33 -2.760 -1.994 10.843 1.00 0.00 H new ATOM 0 HA THR A 33 -1.737 -0.793 13.246 1.00 0.00 H new ATOM 0 HB THR A 33 -0.983 -0.329 10.381 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.857 -2.533 10.356 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.393 -0.367 11.243 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.401 0.872 12.049 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.760 -0.659 12.881 1.00 0.00 H new ATOM 516 N PHE A 34 -3.364 1.005 11.045 1.00 0.00 N ATOM 517 CA PHE A 34 -3.911 2.307 10.715 1.00 0.00 C ATOM 518 C PHE A 34 -5.446 2.188 10.610 1.00 0.00 C ATOM 519 O PHE A 34 -6.026 2.352 9.528 1.00 0.00 O ATOM 520 CB PHE A 34 -3.235 2.892 9.456 1.00 0.00 C ATOM 521 CG PHE A 34 -1.772 2.526 9.273 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.767 3.041 10.114 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.431 1.575 8.297 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.551 2.572 9.989 1.00 0.00 C ATOM 525 CE2 PHE A 34 -0.114 1.124 8.159 1.00 0.00 C ATOM 526 CZ PHE A 34 0.879 1.615 9.016 1.00 0.00 C ATOM 0 H PHE A 34 -3.729 0.255 10.457 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.694 3.025 11.506 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.788 2.557 8.578 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.319 3.978 9.491 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.008 3.793 10.851 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.197 1.186 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.319 2.951 10.647 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.136 0.401 7.396 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.895 1.258 8.928 1.00 0.00 H new ATOM 536 N PRO A 35 -6.140 1.867 11.717 1.00 0.00 N ATOM 537 CA PRO A 35 -7.566 1.552 11.690 1.00 0.00 C ATOM 538 C PRO A 35 -8.448 2.777 11.410 1.00 0.00 C ATOM 539 O PRO A 35 -9.634 2.620 11.131 1.00 0.00 O ATOM 540 CB PRO A 35 -7.869 0.949 13.063 1.00 0.00 C ATOM 541 CG PRO A 35 -6.838 1.610 13.972 1.00 0.00 C ATOM 542 CD PRO A 35 -5.618 1.759 13.072 1.00 0.00 C ATOM 0 HA PRO A 35 -7.792 0.864 10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.887 1.169 13.383 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.764 -0.136 13.058 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.186 2.575 14.340 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.620 0.996 14.846 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.039 2.643 13.340 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.953 0.901 13.168 1.00 0.00 H new ATOM 550 N ASN A 36 -7.901 3.998 11.486 1.00 0.00 N ATOM 551 CA ASN A 36 -8.647 5.219 11.170 1.00 0.00 C ATOM 552 C ASN A 36 -8.862 5.394 9.663 1.00 0.00 C ATOM 553 O ASN A 36 -9.724 6.165 9.236 1.00 0.00 O ATOM 554 CB ASN A 36 -7.901 6.446 11.710 1.00 0.00 C ATOM 555 CG ASN A 36 -8.842 7.629 11.820 1.00 0.00 C ATOM 556 OD1 ASN A 36 -9.676 7.669 12.713 1.00 0.00 O ATOM 557 ND2 ASN A 36 -8.729 8.618 10.957 1.00 0.00 N ATOM 0 H ASN A 36 -6.935 4.164 11.767 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.624 5.127 11.645 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.475 6.220 12.687 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.070 6.694 11.050 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.342 9.430 11.029 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.029 8.571 10.217 1.00 0.00 H new ATOM 564 N LEU A 37 -8.073 4.688 8.846 1.00 0.00 N ATOM 565 CA LEU A 37 -8.353 4.554 7.426 1.00 0.00 C ATOM 566 C LEU A 37 -9.606 3.684 7.283 1.00 0.00 C ATOM 567 O LEU A 37 -9.849 2.811 8.119 1.00 0.00 O ATOM 568 CB LEU A 37 -7.178 3.898 6.692 1.00 0.00 C ATOM 569 CG LEU A 37 -5.788 4.533 6.879 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.746 3.661 6.178 1.00 0.00 C ATOM 571 CD2 LEU A 37 -5.755 5.939 6.298 1.00 0.00 C ATOM 0 H LEU A 37 -7.232 4.200 9.154 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.507 5.539 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.119 2.857 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.406 3.893 5.626 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.567 4.598 7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.757 4.102 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.756 2.662 6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.981 3.596 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.764 6.369 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.982 5.898 5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.496 6.559 6.803 1.00 0.00 H new ATOM 583 N GLU A 38 -10.368 3.847 6.206 1.00 0.00 N ATOM 584 CA GLU A 38 -11.614 3.121 5.997 1.00 0.00 C ATOM 585 C GLU A 38 -11.504 2.416 4.646 1.00 0.00 C ATOM 586 O GLU A 38 -11.035 3.033 3.689 1.00 0.00 O ATOM 587 CB GLU A 38 -12.777 4.130 5.958 1.00 0.00 C ATOM 588 CG GLU A 38 -13.054 4.825 7.299 1.00 0.00 C ATOM 589 CD GLU A 38 -14.092 4.084 8.133 1.00 0.00 C ATOM 590 OE1 GLU A 38 -13.955 2.857 8.337 1.00 0.00 O ATOM 591 OE2 GLU A 38 -15.064 4.718 8.605 1.00 0.00 O ATOM 0 H GLU A 38 -10.136 4.491 5.450 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.793 2.400 6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.559 4.889 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.681 3.613 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.125 4.902 7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.399 5.842 7.114 1.00 0.00 H new ATOM 598 N PRO A 39 -12.030 1.195 4.494 1.00 0.00 N ATOM 599 CA PRO A 39 -11.838 0.411 3.278 1.00 0.00 C ATOM 600 C PRO A 39 -12.655 1.000 2.127 1.00 0.00 C ATOM 601 O PRO A 39 -13.815 1.375 2.329 1.00 0.00 O ATOM 602 CB PRO A 39 -12.291 -1.004 3.654 1.00 0.00 C ATOM 603 CG PRO A 39 -13.287 -0.785 4.795 1.00 0.00 C ATOM 604 CD PRO A 39 -12.687 0.413 5.526 1.00 0.00 C ATOM 0 HA PRO A 39 -10.806 0.412 2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.757 -1.511 2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.450 -1.621 3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.290 -0.574 4.424 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.363 -1.659 5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.459 0.995 6.030 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.978 0.094 6.290 1.00 0.00 H new ATOM 612 N GLN A 40 -12.081 1.085 0.925 1.00 0.00 N ATOM 613 CA GLN A 40 -12.768 1.504 -0.283 1.00 0.00 C ATOM 614 C GLN A 40 -12.158 0.749 -1.469 1.00 0.00 C ATOM 615 O GLN A 40 -10.934 0.642 -1.576 1.00 0.00 O ATOM 616 CB GLN A 40 -12.612 3.028 -0.424 1.00 0.00 C ATOM 617 CG GLN A 40 -13.609 3.613 -1.425 1.00 0.00 C ATOM 618 CD GLN A 40 -13.505 5.137 -1.507 1.00 0.00 C ATOM 619 OE1 GLN A 40 -12.889 5.681 -2.417 1.00 0.00 O ATOM 620 NE2 GLN A 40 -14.076 5.865 -0.561 1.00 0.00 N ATOM 0 H GLN A 40 -11.099 0.857 0.768 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.833 1.275 -0.247 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.755 3.499 0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.597 3.261 -0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.429 3.183 -2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.622 3.333 -1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.588 5.409 0.194 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.005 6.882 -0.587 1.00 0.00 H new ATOM 629 N MET A 41 -12.995 0.233 -2.368 1.00 0.00 N ATOM 630 CA MET A 41 -12.572 -0.431 -3.599 1.00 0.00 C ATOM 631 C MET A 41 -12.858 0.546 -4.738 1.00 0.00 C ATOM 632 O MET A 41 -14.022 0.878 -4.985 1.00 0.00 O ATOM 633 CB MET A 41 -13.323 -1.770 -3.724 1.00 0.00 C ATOM 634 CG MET A 41 -13.116 -2.514 -5.054 1.00 0.00 C ATOM 635 SD MET A 41 -12.086 -4.007 -5.005 1.00 0.00 S ATOM 636 CE MET A 41 -10.467 -3.283 -4.678 1.00 0.00 C ATOM 0 H MET A 41 -14.008 0.266 -2.258 1.00 0.00 H new ATOM 0 HA MET A 41 -11.511 -0.678 -3.616 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.009 -2.422 -2.909 1.00 0.00 H new ATOM 0 HB3 MET A 41 -14.389 -1.584 -3.592 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.095 -2.790 -5.445 1.00 0.00 H new ATOM 0 HG3 MET A 41 -12.673 -1.819 -5.767 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.697 -3.878 -5.168 1.00 0.00 H new ATOM 0 HE2 MET A 41 -10.439 -2.264 -5.065 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.285 -3.268 -3.603 1.00 0.00 H new ATOM 646 N LYS A 42 -11.821 1.053 -5.414 1.00 0.00 N ATOM 647 CA LYS A 42 -11.934 2.068 -6.469 1.00 0.00 C ATOM 648 C LYS A 42 -10.870 1.784 -7.511 1.00 0.00 C ATOM 649 O LYS A 42 -9.803 1.331 -7.133 1.00 0.00 O ATOM 650 CB LYS A 42 -11.696 3.460 -5.850 1.00 0.00 C ATOM 651 CG LYS A 42 -12.572 4.531 -6.506 1.00 0.00 C ATOM 652 CD LYS A 42 -13.924 4.646 -5.791 1.00 0.00 C ATOM 653 CE LYS A 42 -14.767 5.722 -6.481 1.00 0.00 C ATOM 654 NZ LYS A 42 -15.236 6.737 -5.526 1.00 0.00 N ATOM 0 H LYS A 42 -10.859 0.763 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.923 2.042 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.906 3.423 -4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.646 3.732 -5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.059 5.492 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.731 4.284 -7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.444 3.688 -5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.774 4.901 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.177 6.202 -7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.624 5.257 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.803 7.450 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.819 6.282 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.418 7.198 -5.079 1.00 0.00 H new ATOM 668 N TRP A 43 -11.109 2.054 -8.795 1.00 0.00 N ATOM 669 CA TRP A 43 -10.203 1.695 -9.891 1.00 0.00 C ATOM 670 C TRP A 43 -9.852 0.197 -9.952 1.00 0.00 C ATOM 671 O TRP A 43 -8.848 -0.187 -10.554 1.00 0.00 O ATOM 672 CB TRP A 43 -8.964 2.613 -9.907 1.00 0.00 C ATOM 673 CG TRP A 43 -9.134 3.938 -10.581 1.00 0.00 C ATOM 674 CD1 TRP A 43 -9.965 4.934 -10.200 1.00 0.00 C ATOM 675 CD2 TRP A 43 -8.467 4.412 -11.788 1.00 0.00 C ATOM 676 NE1 TRP A 43 -9.843 5.996 -11.073 1.00 0.00 N ATOM 677 CE2 TRP A 43 -8.917 5.736 -12.063 1.00 0.00 C ATOM 678 CE3 TRP A 43 -7.545 3.847 -12.695 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -8.458 6.467 -13.171 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -7.091 4.564 -13.817 1.00 0.00 C ATOM 681 CH2 TRP A 43 -7.537 5.874 -14.051 1.00 0.00 C ATOM 0 H TRP A 43 -11.951 2.536 -9.110 1.00 0.00 H new ATOM 0 HA TRP A 43 -10.752 1.871 -10.816 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.655 2.790 -8.877 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.149 2.081 -10.398 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.623 4.903 -9.344 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.371 6.865 -10.996 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.181 2.845 -12.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.809 7.474 -13.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.395 4.104 -14.503 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.173 6.425 -14.906 1.00 0.00 H new ATOM 692 N ASN A 44 -10.681 -0.662 -9.346 1.00 0.00 N ATOM 693 CA ASN A 44 -10.369 -2.061 -9.042 1.00 0.00 C ATOM 694 C ASN A 44 -9.120 -2.209 -8.164 1.00 0.00 C ATOM 695 O ASN A 44 -8.537 -3.286 -8.118 1.00 0.00 O ATOM 696 CB ASN A 44 -10.227 -2.904 -10.323 1.00 0.00 C ATOM 697 CG ASN A 44 -10.294 -4.400 -10.027 1.00 0.00 C ATOM 698 OD1 ASN A 44 -11.077 -4.848 -9.198 1.00 0.00 O ATOM 699 ND2 ASN A 44 -9.503 -5.217 -10.700 1.00 0.00 N ATOM 0 H ASN A 44 -11.617 -0.392 -9.045 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.217 -2.441 -8.472 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.018 -2.636 -11.024 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.279 -2.671 -10.808 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.544 -6.222 -10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.852 -4.843 -11.390 1.00 0.00 H new ATOM 706 N THR A 45 -8.663 -1.162 -7.478 1.00 0.00 N ATOM 707 CA THR A 45 -7.516 -1.220 -6.595 1.00 0.00 C ATOM 708 C THR A 45 -7.984 -1.066 -5.143 1.00 0.00 C ATOM 709 O THR A 45 -8.963 -0.363 -4.859 1.00 0.00 O ATOM 710 CB THR A 45 -6.437 -0.203 -7.024 1.00 0.00 C ATOM 711 OG1 THR A 45 -6.843 1.149 -6.952 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.026 -0.433 -8.479 1.00 0.00 C ATOM 0 H THR A 45 -9.092 -0.238 -7.526 1.00 0.00 H new ATOM 0 HA THR A 45 -7.031 -2.194 -6.667 1.00 0.00 H new ATOM 0 HB THR A 45 -5.623 -0.370 -6.318 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.820 1.201 -7.014 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.265 0.294 -8.761 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.624 -1.440 -8.589 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.896 -0.317 -9.125 1.00 0.00 H new ATOM 720 N PRO A 46 -7.350 -1.787 -4.209 1.00 0.00 N ATOM 721 CA PRO A 46 -7.573 -1.593 -2.790 1.00 0.00 C ATOM 722 C PRO A 46 -6.977 -0.255 -2.342 1.00 0.00 C ATOM 723 O PRO A 46 -5.804 0.043 -2.596 1.00 0.00 O ATOM 724 CB PRO A 46 -6.913 -2.798 -2.117 1.00 0.00 C ATOM 725 CG PRO A 46 -5.827 -3.220 -3.101 1.00 0.00 C ATOM 726 CD PRO A 46 -6.471 -2.923 -4.442 1.00 0.00 C ATOM 0 HA PRO A 46 -8.628 -1.541 -2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.492 -2.533 -1.147 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.630 -3.601 -1.944 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.907 -2.654 -2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.572 -4.275 -2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.719 -2.689 -5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.031 -3.784 -4.808 1.00 0.00 H new ATOM 734 N MET A 47 -7.784 0.552 -1.657 1.00 0.00 N ATOM 735 CA MET A 47 -7.345 1.770 -0.996 1.00 0.00 C ATOM 736 C MET A 47 -8.098 1.919 0.324 1.00 0.00 C ATOM 737 O MET A 47 -9.059 1.192 0.594 1.00 0.00 O ATOM 738 CB MET A 47 -7.519 2.986 -1.922 1.00 0.00 C ATOM 739 CG MET A 47 -8.941 3.155 -2.470 1.00 0.00 C ATOM 740 SD MET A 47 -9.306 4.826 -3.077 1.00 0.00 S ATOM 741 CE MET A 47 -9.782 5.641 -1.526 1.00 0.00 C ATOM 0 H MET A 47 -8.781 0.370 -1.546 1.00 0.00 H new ATOM 0 HA MET A 47 -6.280 1.711 -0.771 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.242 3.888 -1.376 1.00 0.00 H new ATOM 0 HB3 MET A 47 -6.827 2.894 -2.759 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.093 2.444 -3.282 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.654 2.901 -1.686 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.570 6.367 -1.724 1.00 0.00 H new ATOM 0 HE2 MET A 47 -10.145 4.895 -0.819 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.917 6.151 -1.102 1.00 0.00 H new ATOM 751 N PHE A 48 -7.649 2.858 1.159 1.00 0.00 N ATOM 752 CA PHE A 48 -8.145 3.017 2.515 1.00 0.00 C ATOM 753 C PHE A 48 -8.256 4.514 2.780 1.00 0.00 C ATOM 754 O PHE A 48 -7.269 5.162 3.129 1.00 0.00 O ATOM 755 CB PHE A 48 -7.248 2.293 3.532 1.00 0.00 C ATOM 756 CG PHE A 48 -6.603 1.021 3.039 1.00 0.00 C ATOM 757 CD1 PHE A 48 -7.325 -0.180 3.036 1.00 0.00 C ATOM 758 CD2 PHE A 48 -5.284 1.055 2.555 1.00 0.00 C ATOM 759 CE1 PHE A 48 -6.720 -1.345 2.531 1.00 0.00 C ATOM 760 CE2 PHE A 48 -4.673 -0.107 2.065 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.400 -1.304 2.047 1.00 0.00 C ATOM 0 H PHE A 48 -6.926 3.531 0.905 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.126 2.555 2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.463 2.978 3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.844 2.059 4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.335 -0.211 3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.736 1.986 2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.271 -2.274 2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.655 -0.080 1.706 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.944 -2.202 1.659 1.00 0.00 H new ATOM 771 N SER A 49 -9.417 5.101 2.513 1.00 0.00 N ATOM 772 CA SER A 49 -9.641 6.532 2.643 1.00 0.00 C ATOM 773 C SER A 49 -9.514 6.926 4.118 1.00 0.00 C ATOM 774 O SER A 49 -10.237 6.372 4.942 1.00 0.00 O ATOM 775 CB SER A 49 -11.008 6.902 2.060 1.00 0.00 C ATOM 776 OG SER A 49 -11.979 5.878 2.211 1.00 0.00 O ATOM 0 H SER A 49 -10.239 4.587 2.196 1.00 0.00 H new ATOM 0 HA SER A 49 -8.891 7.087 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.368 7.809 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.893 7.131 1.000 1.00 0.00 H new ATOM 0 HG SER A 49 -12.829 6.173 1.822 1.00 0.00 H new ATOM 782 N ASN A 50 -8.624 7.854 4.485 1.00 0.00 N ATOM 783 CA ASN A 50 -8.531 8.325 5.872 1.00 0.00 C ATOM 784 C ASN A 50 -9.749 9.177 6.169 1.00 0.00 C ATOM 785 O ASN A 50 -9.763 10.352 5.820 1.00 0.00 O ATOM 786 CB ASN A 50 -7.246 9.106 6.181 1.00 0.00 C ATOM 787 CG ASN A 50 -7.146 9.338 7.689 1.00 0.00 C ATOM 788 OD1 ASN A 50 -7.406 8.430 8.474 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.769 10.512 8.150 1.00 0.00 N ATOM 0 H ASN A 50 -7.961 8.292 3.846 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.496 7.445 6.515 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.376 8.552 5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.251 10.060 5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.694 10.665 9.156 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.552 11.269 7.502 1.00 0.00 H new ATOM 796 N GLN A 51 -10.823 8.568 6.675 1.00 0.00 N ATOM 797 CA GLN A 51 -12.130 9.192 6.837 1.00 0.00 C ATOM 798 C GLN A 51 -12.630 9.928 5.570 1.00 0.00 C ATOM 799 O GLN A 51 -13.558 10.732 5.662 1.00 0.00 O ATOM 800 CB GLN A 51 -12.126 10.040 8.125 1.00 0.00 C ATOM 801 CG GLN A 51 -11.600 9.198 9.301 1.00 0.00 C ATOM 802 CD GLN A 51 -11.811 9.839 10.664 1.00 0.00 C ATOM 803 OE1 GLN A 51 -10.905 10.436 11.247 1.00 0.00 O ATOM 804 NE2 GLN A 51 -12.999 9.655 11.210 1.00 0.00 N ATOM 0 H GLN A 51 -10.803 7.599 6.992 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.882 8.413 6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.500 10.922 7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.134 10.394 8.341 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.093 8.226 9.288 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.535 9.017 9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.725 9.155 10.696 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.191 10.013 12.146 1.00 0.00 H new ATOM 813 N GLY A 52 -12.062 9.636 4.390 1.00 0.00 N ATOM 814 CA GLY A 52 -12.479 10.135 3.083 1.00 0.00 C ATOM 815 C GLY A 52 -11.340 10.497 2.115 1.00 0.00 C ATOM 816 O GLY A 52 -11.611 10.582 0.914 1.00 0.00 O ATOM 0 H GLY A 52 -11.258 9.012 4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.108 9.381 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.099 11.019 3.233 1.00 0.00 H new ATOM 820 N THR A 53 -10.091 10.673 2.573 1.00 0.00 N ATOM 821 CA THR A 53 -8.984 11.241 1.783 1.00 0.00 C ATOM 822 C THR A 53 -8.371 10.223 0.790 1.00 0.00 C ATOM 823 O THR A 53 -8.983 9.186 0.499 1.00 0.00 O ATOM 824 CB THR A 53 -7.923 11.857 2.728 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.433 12.085 4.018 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.428 13.219 2.235 1.00 0.00 C ATOM 0 H THR A 53 -9.815 10.420 3.522 1.00 0.00 H new ATOM 0 HA THR A 53 -9.391 12.037 1.160 1.00 0.00 H new ATOM 0 HB THR A 53 -7.114 11.127 2.744 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.732 12.472 4.583 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.686 13.610 2.931 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.977 13.107 1.249 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.268 13.911 2.174 1.00 0.00 H new ATOM 834 N PHE A 54 -7.211 10.525 0.189 1.00 0.00 N ATOM 835 CA PHE A 54 -6.516 9.673 -0.783 1.00 0.00 C ATOM 836 C PHE A 54 -5.044 9.488 -0.378 1.00 0.00 C ATOM 837 O PHE A 54 -4.134 9.564 -1.194 1.00 0.00 O ATOM 838 CB PHE A 54 -6.701 10.201 -2.215 1.00 0.00 C ATOM 839 CG PHE A 54 -6.261 9.206 -3.282 1.00 0.00 C ATOM 840 CD1 PHE A 54 -6.979 8.007 -3.463 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.112 9.451 -4.062 1.00 0.00 C ATOM 842 CE1 PHE A 54 -6.537 7.052 -4.396 1.00 0.00 C ATOM 843 CE2 PHE A 54 -4.677 8.499 -5.000 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.387 7.297 -5.164 1.00 0.00 C ATOM 0 H PHE A 54 -6.716 11.398 0.373 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.965 8.680 -0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.751 10.451 -2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.133 11.124 -2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.871 7.821 -2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.564 10.374 -3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.083 6.129 -4.522 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.797 8.691 -5.595 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.049 6.563 -5.880 1.00 0.00 H new ATOM 854 N ILE A 55 -4.811 9.243 0.909 1.00 0.00 N ATOM 855 CA ILE A 55 -3.496 9.117 1.527 1.00 0.00 C ATOM 856 C ILE A 55 -2.850 7.756 1.189 1.00 0.00 C ATOM 857 O ILE A 55 -1.742 7.494 1.647 1.00 0.00 O ATOM 858 CB ILE A 55 -3.653 9.426 3.051 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.054 10.912 3.226 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.411 9.123 3.907 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.407 11.353 4.649 1.00 0.00 C ATOM 0 H ILE A 55 -5.570 9.121 1.580 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.788 9.841 1.124 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.428 8.752 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.233 11.533 2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.910 11.114 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.618 9.370 4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.164 8.064 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.571 9.720 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.671 12.411 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.253 10.769 5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.549 11.194 5.302 1.00 0.00 H new ATOM 873 N ILE A 56 -3.496 6.843 0.440 1.00 0.00 N ATOM 874 CA ILE A 56 -2.953 5.520 0.120 1.00 0.00 C ATOM 875 C ILE A 56 -3.709 4.835 -1.031 1.00 0.00 C ATOM 876 O ILE A 56 -4.900 5.090 -1.225 1.00 0.00 O ATOM 877 CB ILE A 56 -3.005 4.686 1.420 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.278 3.336 1.296 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.435 4.509 1.949 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.591 3.019 2.620 1.00 0.00 C ATOM 0 H ILE A 56 -4.419 7.010 0.038 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.927 5.614 -0.236 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.458 5.268 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.987 2.548 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.544 3.376 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.414 3.916 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.868 5.487 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.040 3.999 1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.073 2.063 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.871 3.804 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.337 2.963 3.413 1.00 0.00 H new ATOM 892 N GLY A 57 -3.069 3.878 -1.713 1.00 0.00 N ATOM 893 CA GLY A 57 -3.704 2.919 -2.610 1.00 0.00 C ATOM 894 C GLY A 57 -2.630 2.083 -3.305 1.00 0.00 C ATOM 895 O GLY A 57 -1.631 2.643 -3.769 1.00 0.00 O ATOM 0 H GLY A 57 -2.059 3.750 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.378 2.271 -2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.308 3.443 -3.351 1.00 0.00 H new ATOM 899 N PHE A 58 -2.822 0.762 -3.405 1.00 0.00 N ATOM 900 CA PHE A 58 -1.886 -0.141 -4.081 1.00 0.00 C ATOM 901 C PHE A 58 -2.609 -1.055 -5.052 1.00 0.00 C ATOM 902 O PHE A 58 -3.816 -1.252 -4.951 1.00 0.00 O ATOM 903 CB PHE A 58 -1.038 -0.967 -3.090 1.00 0.00 C ATOM 904 CG PHE A 58 -1.748 -1.764 -2.018 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.349 -3.002 -2.318 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.704 -1.317 -0.689 1.00 0.00 C ATOM 907 CE1 PHE A 58 -2.955 -3.761 -1.300 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.313 -2.073 0.327 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.953 -3.288 0.024 1.00 0.00 C ATOM 0 H PHE A 58 -3.637 0.288 -3.016 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.199 0.492 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.432 -1.661 -3.672 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.350 -0.283 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.345 -3.370 -3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.202 -0.392 -0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.421 -4.706 -1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.289 -1.719 1.347 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.440 -3.854 0.804 1.00 0.00 H new ATOM 919 N SER A 59 -1.858 -1.680 -5.960 1.00 0.00 N ATOM 920 CA SER A 59 -2.355 -2.826 -6.693 1.00 0.00 C ATOM 921 C SER A 59 -1.210 -3.767 -7.047 1.00 0.00 C ATOM 922 O SER A 59 -0.040 -3.378 -7.103 1.00 0.00 O ATOM 923 CB SER A 59 -3.178 -2.385 -7.917 1.00 0.00 C ATOM 924 OG SER A 59 -2.687 -1.234 -8.585 1.00 0.00 O ATOM 0 H SER A 59 -0.905 -1.406 -6.199 1.00 0.00 H new ATOM 0 HA SER A 59 -3.039 -3.388 -6.057 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.216 -3.211 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.202 -2.192 -7.597 1.00 0.00 H new ATOM 0 HG SER A 59 -3.266 -1.026 -9.348 1.00 0.00 H new ATOM 930 N THR A 60 -1.551 -5.032 -7.272 1.00 0.00 N ATOM 931 CA THR A 60 -0.671 -6.019 -7.859 1.00 0.00 C ATOM 932 C THR A 60 -0.248 -5.535 -9.245 1.00 0.00 C ATOM 933 O THR A 60 -1.032 -4.928 -9.987 1.00 0.00 O ATOM 934 CB THR A 60 -1.384 -7.384 -7.920 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.606 -7.275 -8.628 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.704 -7.918 -6.522 1.00 0.00 C ATOM 0 H THR A 60 -2.473 -5.402 -7.043 1.00 0.00 H new ATOM 0 HA THR A 60 0.224 -6.147 -7.249 1.00 0.00 H new ATOM 0 HB THR A 60 -0.704 -8.069 -8.426 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.247 -6.759 -8.096 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.206 -8.882 -6.607 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.779 -8.039 -5.958 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.355 -7.214 -6.004 1.00 0.00 H new ATOM 944 N SER A 61 0.984 -5.849 -9.610 1.00 0.00 N ATOM 945 CA SER A 61 1.516 -5.715 -10.945 1.00 0.00 C ATOM 946 C SER A 61 2.255 -7.010 -11.287 1.00 0.00 C ATOM 947 O SER A 61 2.308 -7.946 -10.485 1.00 0.00 O ATOM 948 CB SER A 61 2.397 -4.470 -10.987 1.00 0.00 C ATOM 949 OG SER A 61 1.616 -3.301 -11.005 1.00 0.00 O ATOM 0 H SER A 61 1.667 -6.221 -8.950 1.00 0.00 H new ATOM 0 HA SER A 61 0.741 -5.577 -11.699 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.057 -4.458 -10.120 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.034 -4.500 -11.871 1.00 0.00 H new ATOM 0 HG SER A 61 0.694 -3.519 -10.754 1.00 0.00 H new ATOM 955 N LYS A 62 2.777 -7.091 -12.513 1.00 0.00 N ATOM 956 CA LYS A 62 3.276 -8.327 -13.112 1.00 0.00 C ATOM 957 C LYS A 62 4.247 -9.064 -12.187 1.00 0.00 C ATOM 958 O LYS A 62 3.987 -10.219 -11.842 1.00 0.00 O ATOM 959 CB LYS A 62 3.918 -7.997 -14.469 1.00 0.00 C ATOM 960 CG LYS A 62 3.040 -8.187 -15.708 1.00 0.00 C ATOM 961 CD LYS A 62 1.835 -7.252 -15.879 1.00 0.00 C ATOM 962 CE LYS A 62 0.605 -7.984 -15.353 1.00 0.00 C ATOM 963 NZ LYS A 62 -0.672 -7.364 -15.772 1.00 0.00 N ATOM 0 H LYS A 62 2.866 -6.282 -13.128 1.00 0.00 H new ATOM 0 HA LYS A 62 2.439 -9.008 -13.267 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.252 -6.960 -14.444 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.808 -8.616 -14.584 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.674 -8.081 -16.588 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.671 -9.213 -15.703 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.991 -6.323 -15.331 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.703 -6.986 -16.928 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.630 -9.017 -15.700 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.646 -8.013 -14.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.467 -7.909 -15.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.716 -6.387 -15.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.732 -7.360 -16.810 1.00 0.00 H new ATOM 977 N HIS A 63 5.330 -8.403 -11.771 1.00 0.00 N ATOM 978 CA HIS A 63 6.417 -9.010 -10.998 1.00 0.00 C ATOM 979 C HIS A 63 6.718 -8.249 -9.697 1.00 0.00 C ATOM 980 O HIS A 63 7.649 -8.592 -8.971 1.00 0.00 O ATOM 981 CB HIS A 63 7.657 -9.147 -11.887 1.00 0.00 C ATOM 982 CG HIS A 63 8.207 -7.844 -12.421 1.00 0.00 C ATOM 983 ND1 HIS A 63 9.299 -7.165 -11.927 1.00 0.00 N ATOM 984 CD2 HIS A 63 7.794 -7.198 -13.554 1.00 0.00 C ATOM 985 CE1 HIS A 63 9.549 -6.139 -12.760 1.00 0.00 C ATOM 986 NE2 HIS A 63 8.624 -6.088 -13.737 1.00 0.00 N ATOM 0 H HIS A 63 5.479 -7.413 -11.965 1.00 0.00 H new ATOM 0 HA HIS A 63 6.098 -10.003 -10.681 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.440 -9.649 -11.318 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.412 -9.793 -12.730 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.974 -7.493 -14.192 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.376 -5.452 -12.659 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.545 -5.380 -14.466 1.00 0.00 H new ATOM 994 N HIS A 64 5.929 -7.220 -9.388 1.00 0.00 N ATOM 995 CA HIS A 64 6.050 -6.369 -8.213 1.00 0.00 C ATOM 996 C HIS A 64 4.648 -5.953 -7.771 1.00 0.00 C ATOM 997 O HIS A 64 3.672 -6.135 -8.503 1.00 0.00 O ATOM 998 CB HIS A 64 6.916 -5.130 -8.534 1.00 0.00 C ATOM 999 CG HIS A 64 6.628 -4.507 -9.873 1.00 0.00 C ATOM 1000 ND1 HIS A 64 7.398 -4.612 -11.005 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.532 -3.759 -10.186 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.783 -3.932 -11.984 1.00 0.00 C ATOM 1003 NE2 HIS A 64 5.618 -3.417 -11.541 1.00 0.00 N ATOM 0 H HIS A 64 5.148 -6.947 -9.985 1.00 0.00 H new ATOM 0 HA HIS A 64 6.540 -6.914 -7.406 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.762 -4.382 -7.757 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.967 -5.416 -8.497 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.738 -3.480 -9.509 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.167 -3.814 -12.986 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.937 -2.886 -12.084 1.00 0.00 H new ATOM 1011 N LEU A 65 4.547 -5.371 -6.579 1.00 0.00 N ATOM 1012 CA LEU A 65 3.403 -4.558 -6.158 1.00 0.00 C ATOM 1013 C LEU A 65 3.674 -3.102 -6.595 1.00 0.00 C ATOM 1014 O LEU A 65 4.797 -2.801 -7.004 1.00 0.00 O ATOM 1015 CB LEU A 65 3.289 -4.715 -4.627 1.00 0.00 C ATOM 1016 CG LEU A 65 2.021 -4.152 -3.955 1.00 0.00 C ATOM 1017 CD1 LEU A 65 0.736 -4.895 -4.330 1.00 0.00 C ATOM 1018 CD2 LEU A 65 2.163 -4.289 -2.442 1.00 0.00 C ATOM 0 H LEU A 65 5.270 -5.451 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 65 2.459 -4.864 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.354 -5.777 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.155 -4.234 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 65 1.937 -3.120 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.111 -4.439 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.582 -4.835 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.820 -5.940 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.271 -3.894 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.282 -5.341 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.037 -3.731 -2.107 1.00 0.00 H new ATOM 1030 N SER A 66 2.697 -2.196 -6.524 1.00 0.00 N ATOM 1031 CA SER A 66 2.927 -0.751 -6.520 1.00 0.00 C ATOM 1032 C SER A 66 2.362 -0.184 -5.222 1.00 0.00 C ATOM 1033 O SER A 66 1.186 -0.393 -4.946 1.00 0.00 O ATOM 1034 CB SER A 66 2.293 -0.052 -7.734 1.00 0.00 C ATOM 1035 OG SER A 66 1.032 -0.579 -8.092 1.00 0.00 O ATOM 0 H SER A 66 1.711 -2.449 -6.467 1.00 0.00 H new ATOM 0 HA SER A 66 3.999 -0.567 -6.587 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.185 1.011 -7.516 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.968 -0.136 -8.585 1.00 0.00 H new ATOM 0 HG SER A 66 0.682 -0.092 -8.867 1.00 0.00 H new ATOM 1041 N VAL A 67 3.133 0.580 -4.449 1.00 0.00 N ATOM 1042 CA VAL A 67 2.709 1.175 -3.176 1.00 0.00 C ATOM 1043 C VAL A 67 3.188 2.629 -3.178 1.00 0.00 C ATOM 1044 O VAL A 67 4.221 2.945 -3.774 1.00 0.00 O ATOM 1045 CB VAL A 67 3.293 0.364 -1.991 1.00 0.00 C ATOM 1046 CG1 VAL A 67 3.010 0.947 -0.595 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.774 -1.076 -1.968 1.00 0.00 C ATOM 0 H VAL A 67 4.096 0.810 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 67 1.625 1.151 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 67 4.366 0.410 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.460 0.307 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.436 1.948 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.933 0.999 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.210 -1.606 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.688 -1.070 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.054 -1.579 -2.894 1.00 0.00 H new ATOM 1057 N SER A 68 2.427 3.504 -2.527 1.00 0.00 N ATOM 1058 CA SER A 68 2.749 4.874 -2.140 1.00 0.00 C ATOM 1059 C SER A 68 1.674 5.289 -1.120 1.00 0.00 C ATOM 1060 O SER A 68 0.675 4.568 -0.971 1.00 0.00 O ATOM 1061 CB SER A 68 2.728 5.779 -3.384 1.00 0.00 C ATOM 1062 OG SER A 68 3.096 7.114 -3.083 1.00 0.00 O ATOM 0 H SER A 68 1.485 3.249 -2.230 1.00 0.00 H new ATOM 0 HA SER A 68 3.743 4.960 -1.702 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.409 5.377 -4.135 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.730 5.769 -3.821 1.00 0.00 H new ATOM 0 HG SER A 68 2.586 7.730 -3.650 1.00 0.00 H new ATOM 1068 N PRO A 69 1.853 6.381 -0.357 1.00 0.00 N ATOM 1069 CA PRO A 69 0.710 7.118 0.132 1.00 0.00 C ATOM 1070 C PRO A 69 0.190 8.103 -0.925 1.00 0.00 C ATOM 1071 O PRO A 69 -0.928 7.936 -1.411 1.00 0.00 O ATOM 1072 CB PRO A 69 1.204 7.831 1.394 1.00 0.00 C ATOM 1073 CG PRO A 69 2.706 7.990 1.168 1.00 0.00 C ATOM 1074 CD PRO A 69 3.064 6.746 0.349 1.00 0.00 C ATOM 0 HA PRO A 69 -0.135 6.466 0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.716 8.797 1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.995 7.246 2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.938 8.909 0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.254 8.025 2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.875 6.956 -0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.400 5.935 0.995 1.00 0.00 H new ATOM 1082 N GLU A 70 1.045 9.019 -1.400 1.00 0.00 N ATOM 1083 CA GLU A 70 0.673 10.049 -2.365 1.00 0.00 C ATOM 1084 C GLU A 70 1.885 10.338 -3.260 1.00 0.00 C ATOM 1085 O GLU A 70 2.079 9.689 -4.290 1.00 0.00 O ATOM 1086 CB GLU A 70 0.204 11.331 -1.632 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.149 11.213 -0.917 1.00 0.00 C ATOM 1088 CD GLU A 70 -1.611 12.551 -0.330 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.511 13.605 -0.999 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -2.144 12.563 0.804 1.00 0.00 O ATOM 0 H GLU A 70 2.024 9.061 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.157 9.702 -2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.962 11.610 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.146 12.144 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.899 10.848 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.073 10.475 -0.119 1.00 0.00 H new ATOM 1097 N GLU A 71 2.758 11.243 -2.807 1.00 0.00 N ATOM 1098 CA GLU A 71 3.915 11.747 -3.547 1.00 0.00 C ATOM 1099 C GLU A 71 5.098 12.048 -2.615 1.00 0.00 C ATOM 1100 O GLU A 71 6.237 11.801 -3.001 1.00 0.00 O ATOM 1101 CB GLU A 71 3.559 12.981 -4.396 1.00 0.00 C ATOM 1102 CG GLU A 71 2.635 13.986 -3.694 1.00 0.00 C ATOM 1103 CD GLU A 71 2.711 15.383 -4.321 1.00 0.00 C ATOM 1104 OE1 GLU A 71 2.581 15.504 -5.561 1.00 0.00 O ATOM 1105 OE2 GLU A 71 2.954 16.352 -3.565 1.00 0.00 O ATOM 0 H GLU A 71 2.673 11.659 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 71 4.221 10.954 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.480 13.490 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.081 12.648 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.608 13.625 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.904 14.048 -2.640 1.00 0.00 H new ATOM 1112 N ILE A 72 4.873 12.486 -1.366 1.00 0.00 N ATOM 1113 CA ILE A 72 5.974 12.763 -0.433 1.00 0.00 C ATOM 1114 C ILE A 72 6.828 11.518 -0.207 1.00 0.00 C ATOM 1115 O ILE A 72 8.052 11.596 -0.114 1.00 0.00 O ATOM 1116 CB ILE A 72 5.443 13.358 0.886 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.615 13.896 1.739 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.561 12.389 1.709 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.162 14.819 2.873 1.00 0.00 C ATOM 0 H ILE A 72 3.943 12.655 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 72 6.624 13.515 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 72 4.784 14.180 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.164 13.055 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.307 14.437 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.229 12.885 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.693 12.096 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.139 11.502 1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.032 15.162 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.638 15.679 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.493 14.275 3.540 1.00 0.00 H new ATOM 1131 N GLY A 73 6.187 10.348 -0.196 1.00 0.00 N ATOM 1132 CA GLY A 73 6.860 9.063 -0.097 1.00 0.00 C ATOM 1133 C GLY A 73 7.880 8.810 -1.215 1.00 0.00 C ATOM 1134 O GLY A 73 8.717 7.911 -1.107 1.00 0.00 O ATOM 0 H GLY A 73 5.172 10.271 -0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.368 9.003 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.113 8.270 -0.114 1.00 0.00 H new ATOM 1138 N ILE A 74 7.807 9.585 -2.294 1.00 0.00 N ATOM 1139 CA ILE A 74 8.525 9.405 -3.542 1.00 0.00 C ATOM 1140 C ILE A 74 9.549 10.528 -3.732 1.00 0.00 C ATOM 1141 O ILE A 74 10.463 10.377 -4.536 1.00 0.00 O ATOM 1142 CB ILE A 74 7.506 9.331 -4.704 1.00 0.00 C ATOM 1143 CG1 ILE A 74 6.240 8.500 -4.371 1.00 0.00 C ATOM 1144 CG2 ILE A 74 8.151 8.778 -5.980 1.00 0.00 C ATOM 1145 CD1 ILE A 74 6.530 7.062 -3.922 1.00 0.00 C ATOM 0 H ILE A 74 7.204 10.407 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 74 9.085 8.470 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 74 7.187 10.361 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.682 9.008 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.597 8.471 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.408 8.739 -6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.973 9.426 -6.282 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.531 7.774 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.591 6.551 -3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.059 6.533 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.146 7.079 -3.023 1.00 0.00 H new ATOM 1157 N SER A 75 9.449 11.609 -2.958 1.00 0.00 N ATOM 1158 CA SER A 75 10.446 12.663 -2.940 1.00 0.00 C ATOM 1159 C SER A 75 11.302 12.561 -1.675 1.00 0.00 C ATOM 1160 O SER A 75 12.526 12.453 -1.744 1.00 0.00 O ATOM 1161 CB SER A 75 9.710 13.997 -3.024 1.00 0.00 C ATOM 1162 OG SER A 75 9.129 14.141 -4.311 1.00 0.00 O ATOM 0 H SER A 75 8.667 11.773 -2.324 1.00 0.00 H new ATOM 0 HA SER A 75 11.127 12.572 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.937 14.046 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.401 14.818 -2.832 1.00 0.00 H new ATOM 0 HG SER A 75 8.655 14.997 -4.362 1.00 0.00 H new ATOM 1168 N GLN A 76 10.666 12.570 -0.504 1.00 0.00 N ATOM 1169 CA GLN A 76 11.306 12.589 0.791 1.00 0.00 C ATOM 1170 C GLN A 76 11.713 11.157 1.109 1.00 0.00 C ATOM 1171 O GLN A 76 12.900 10.835 1.200 1.00 0.00 O ATOM 1172 CB GLN A 76 10.309 13.201 1.796 1.00 0.00 C ATOM 1173 CG GLN A 76 10.676 13.031 3.271 1.00 0.00 C ATOM 1174 CD GLN A 76 12.119 13.452 3.529 1.00 0.00 C ATOM 1175 OE1 GLN A 76 12.520 14.562 3.195 1.00 0.00 O ATOM 1176 NE2 GLN A 76 12.932 12.570 4.070 1.00 0.00 N ATOM 0 H GLN A 76 9.648 12.564 -0.440 1.00 0.00 H new ATOM 0 HA GLN A 76 12.208 13.200 0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.213 14.266 1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.330 12.753 1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.004 13.628 3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.539 11.991 3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.581 11.652 4.342 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.914 12.805 4.218 1.00 0.00 H new ATOM 1185 N PHE A 77 10.720 10.273 1.237 1.00 0.00 N ATOM 1186 CA PHE A 77 10.983 8.936 1.745 1.00 0.00 C ATOM 1187 C PHE A 77 11.718 8.064 0.717 1.00 0.00 C ATOM 1188 O PHE A 77 12.223 6.998 1.083 1.00 0.00 O ATOM 1189 CB PHE A 77 9.729 8.256 2.312 1.00 0.00 C ATOM 1190 CG PHE A 77 8.983 9.002 3.413 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.260 10.179 3.132 1.00 0.00 C ATOM 1192 CD2 PHE A 77 8.912 8.455 4.710 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.495 10.806 4.126 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.156 9.089 5.712 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.438 10.259 5.413 1.00 0.00 C ATOM 0 H PHE A 77 9.746 10.459 0.999 1.00 0.00 H new ATOM 0 HA PHE A 77 11.659 9.055 2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.035 8.081 1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.018 7.279 2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.296 10.603 2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.442 7.542 4.936 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.950 11.710 3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.127 8.677 6.710 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.842 10.736 6.177 1.00 0.00 H new ATOM 1205 N ALA A 78 11.856 8.532 -0.535 1.00 0.00 N ATOM 1206 CA ALA A 78 12.649 7.854 -1.553 1.00 0.00 C ATOM 1207 C ALA A 78 14.096 7.632 -1.107 1.00 0.00 C ATOM 1208 O ALA A 78 14.687 6.620 -1.474 1.00 0.00 O ATOM 1209 CB ALA A 78 12.620 8.638 -2.863 1.00 0.00 C ATOM 0 H ALA A 78 11.417 9.393 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 78 12.199 6.873 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.217 8.118 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.591 8.723 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.031 9.634 -2.700 1.00 0.00 H new ATOM 1215 N ASP A 79 14.649 8.520 -0.276 1.00 0.00 N ATOM 1216 CA ASP A 79 16.026 8.392 0.200 1.00 0.00 C ATOM 1217 C ASP A 79 16.178 7.137 1.041 1.00 0.00 C ATOM 1218 O ASP A 79 17.162 6.409 0.927 1.00 0.00 O ATOM 1219 CB ASP A 79 16.415 9.572 1.091 1.00 0.00 C ATOM 1220 CG ASP A 79 16.615 10.860 0.325 1.00 0.00 C ATOM 1221 OD1 ASP A 79 17.298 10.846 -0.723 1.00 0.00 O ATOM 1222 OD2 ASP A 79 16.141 11.910 0.801 1.00 0.00 O ATOM 0 H ASP A 79 14.159 9.340 0.082 1.00 0.00 H new ATOM 0 HA ASP A 79 16.665 8.356 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.640 9.721 1.843 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.334 9.328 1.624 1.00 0.00 H new ATOM 1227 N ALA A 80 15.212 6.904 1.927 1.00 0.00 N ATOM 1228 CA ALA A 80 15.257 5.801 2.861 1.00 0.00 C ATOM 1229 C ALA A 80 14.888 4.492 2.150 1.00 0.00 C ATOM 1230 O ALA A 80 15.393 3.431 2.518 1.00 0.00 O ATOM 1231 CB ALA A 80 14.339 6.130 4.034 1.00 0.00 C ATOM 0 H ALA A 80 14.376 7.482 2.011 1.00 0.00 H new ATOM 0 HA ALA A 80 16.264 5.656 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.358 5.310 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.681 7.044 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.321 6.271 3.671 1.00 0.00 H new ATOM 1237 N ILE A 81 14.052 4.559 1.106 1.00 0.00 N ATOM 1238 CA ILE A 81 13.795 3.461 0.173 1.00 0.00 C ATOM 1239 C ILE A 81 15.123 3.080 -0.503 1.00 0.00 C ATOM 1240 O ILE A 81 15.491 1.904 -0.518 1.00 0.00 O ATOM 1241 CB ILE A 81 12.677 3.891 -0.818 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.324 3.886 -0.073 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.577 3.045 -2.104 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.187 4.570 -0.834 1.00 0.00 C ATOM 0 H ILE A 81 13.523 5.402 0.883 1.00 0.00 H new ATOM 0 HA ILE A 81 13.428 2.567 0.677 1.00 0.00 H new ATOM 0 HB ILE A 81 12.944 4.890 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.039 2.854 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.450 4.380 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.768 3.425 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.517 3.105 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.375 2.006 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.273 4.523 -0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.447 5.613 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.030 4.063 -1.786 1.00 0.00 H new ATOM 1256 N ALA A 82 15.873 4.061 -1.015 1.00 0.00 N ATOM 1257 CA ALA A 82 17.169 3.850 -1.646 1.00 0.00 C ATOM 1258 C ALA A 82 18.144 3.188 -0.671 1.00 0.00 C ATOM 1259 O ALA A 82 18.743 2.154 -0.981 1.00 0.00 O ATOM 1260 CB ALA A 82 17.713 5.186 -2.160 1.00 0.00 C ATOM 0 H ALA A 82 15.586 5.040 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 82 17.050 3.176 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.683 5.027 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.019 5.605 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.825 5.878 -1.326 1.00 0.00 H new ATOM 1266 N GLN A 83 18.271 3.746 0.532 1.00 0.00 N ATOM 1267 CA GLN A 83 19.094 3.191 1.599 1.00 0.00 C ATOM 1268 C GLN A 83 18.673 1.768 1.965 1.00 0.00 C ATOM 1269 O GLN A 83 19.532 0.985 2.362 1.00 0.00 O ATOM 1270 CB GLN A 83 19.000 4.088 2.830 1.00 0.00 C ATOM 1271 CG GLN A 83 19.854 5.350 2.681 1.00 0.00 C ATOM 1272 CD GLN A 83 19.394 6.438 3.646 1.00 0.00 C ATOM 1273 OE1 GLN A 83 19.575 6.357 4.859 1.00 0.00 O ATOM 1274 NE2 GLN A 83 18.722 7.445 3.127 1.00 0.00 N ATOM 0 H GLN A 83 17.796 4.610 0.794 1.00 0.00 H new ATOM 0 HA GLN A 83 20.123 3.148 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.960 4.370 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 83 19.323 3.532 3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 83 20.900 5.110 2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.791 5.717 1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.580 7.498 2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.343 8.172 3.734 1.00 0.00 H new ATOM 1283 N ALA A 84 17.396 1.402 1.821 1.00 0.00 N ATOM 1284 CA ALA A 84 16.974 0.032 2.072 1.00 0.00 C ATOM 1285 C ALA A 84 17.623 -0.928 1.077 1.00 0.00 C ATOM 1286 O ALA A 84 18.046 -2.016 1.474 1.00 0.00 O ATOM 1287 CB ALA A 84 15.452 -0.100 2.014 1.00 0.00 C ATOM 0 H ALA A 84 16.647 2.033 1.535 1.00 0.00 H new ATOM 0 HA ALA A 84 17.301 -0.232 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.169 -1.135 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.002 0.545 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.099 0.196 1.026 1.00 0.00 H new ATOM 1293 N GLY A 85 17.697 -0.486 -0.182 1.00 0.00 N ATOM 1294 CA GLY A 85 18.124 -1.233 -1.354 1.00 0.00 C ATOM 1295 C GLY A 85 17.143 -1.055 -2.522 1.00 0.00 C ATOM 1296 O GLY A 85 17.444 -1.431 -3.653 1.00 0.00 O ATOM 0 H GLY A 85 17.440 0.472 -0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 85 19.117 -0.900 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.205 -2.291 -1.103 1.00 0.00 H new ATOM 1300 N TYR A 86 15.965 -0.472 -2.283 1.00 0.00 N ATOM 1301 CA TYR A 86 14.884 -0.401 -3.257 1.00 0.00 C ATOM 1302 C TYR A 86 14.997 0.814 -4.178 1.00 0.00 C ATOM 1303 O TYR A 86 15.845 1.691 -3.994 1.00 0.00 O ATOM 1304 CB TYR A 86 13.546 -0.413 -2.506 1.00 0.00 C ATOM 1305 CG TYR A 86 13.195 -1.763 -1.926 1.00 0.00 C ATOM 1306 CD1 TYR A 86 13.077 -2.874 -2.780 1.00 0.00 C ATOM 1307 CD2 TYR A 86 12.990 -1.912 -0.542 1.00 0.00 C ATOM 1308 CE1 TYR A 86 12.809 -4.140 -2.250 1.00 0.00 C ATOM 1309 CE2 TYR A 86 12.651 -3.169 -0.013 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.576 -4.286 -0.870 1.00 0.00 C ATOM 1311 OH TYR A 86 12.280 -5.511 -0.393 1.00 0.00 O ATOM 0 H TYR A 86 15.737 -0.031 -1.392 1.00 0.00 H new ATOM 0 HA TYR A 86 14.950 -1.270 -3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 86 13.583 0.321 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.753 -0.101 -3.186 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.193 -2.749 -3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.093 -1.060 0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 86 12.781 -5.003 -2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.449 -3.279 1.042 1.00 0.00 H new ATOM 0 HH TYR A 86 11.698 -5.425 0.391 1.00 0.00 H new ATOM 1321 N SER A 87 14.105 0.861 -5.168 1.00 0.00 N ATOM 1322 CA SER A 87 13.999 1.890 -6.186 1.00 0.00 C ATOM 1323 C SER A 87 12.552 2.421 -6.225 1.00 0.00 C ATOM 1324 O SER A 87 11.683 1.935 -5.490 1.00 0.00 O ATOM 1325 CB SER A 87 14.500 1.267 -7.498 1.00 0.00 C ATOM 1326 OG SER A 87 14.765 2.233 -8.489 1.00 0.00 O ATOM 0 H SER A 87 13.398 0.135 -5.282 1.00 0.00 H new ATOM 0 HA SER A 87 14.613 2.767 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.407 0.695 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.754 0.565 -7.870 1.00 0.00 H new ATOM 0 HG SER A 87 15.082 1.788 -9.303 1.00 0.00 H new ATOM 1332 N ALA A 88 12.297 3.449 -7.040 1.00 0.00 N ATOM 1333 CA ALA A 88 11.089 4.279 -7.030 1.00 0.00 C ATOM 1334 C ALA A 88 10.595 4.533 -8.463 1.00 0.00 C ATOM 1335 O ALA A 88 11.153 3.981 -9.413 1.00 0.00 O ATOM 1336 CB ALA A 88 11.409 5.595 -6.309 1.00 0.00 C ATOM 0 H ALA A 88 12.960 3.739 -7.759 1.00 0.00 H new ATOM 0 HA ALA A 88 10.287 3.764 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.520 6.226 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.723 5.383 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.211 6.112 -6.835 1.00 0.00 H new ATOM 1342 N THR A 89 9.542 5.336 -8.625 1.00 0.00 N ATOM 1343 CA THR A 89 9.078 5.892 -9.895 1.00 0.00 C ATOM 1344 C THR A 89 8.836 7.396 -9.701 1.00 0.00 C ATOM 1345 O THR A 89 9.220 7.959 -8.675 1.00 0.00 O ATOM 1346 CB THR A 89 7.839 5.138 -10.441 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.626 5.532 -9.828 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.976 3.619 -10.352 1.00 0.00 C ATOM 0 H THR A 89 8.964 5.629 -7.838 1.00 0.00 H new ATOM 0 HA THR A 89 9.841 5.758 -10.662 1.00 0.00 H new ATOM 0 HB THR A 89 7.799 5.424 -11.492 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.883 5.023 -10.215 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.077 3.149 -10.750 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.841 3.297 -10.932 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.108 3.326 -9.310 1.00 0.00 H new ATOM 1356 N LYS A 90 8.194 8.080 -10.655 1.00 0.00 N ATOM 1357 CA LYS A 90 7.797 9.481 -10.517 1.00 0.00 C ATOM 1358 C LYS A 90 6.518 9.673 -9.697 1.00 0.00 C ATOM 1359 O LYS A 90 5.994 10.786 -9.687 1.00 0.00 O ATOM 1360 CB LYS A 90 7.638 10.113 -11.913 1.00 0.00 C ATOM 1361 CG LYS A 90 8.615 11.278 -12.130 1.00 0.00 C ATOM 1362 CD LYS A 90 8.460 12.513 -11.220 1.00 0.00 C ATOM 1363 CE LYS A 90 7.439 13.555 -11.695 1.00 0.00 C ATOM 1364 NZ LYS A 90 6.037 13.182 -11.428 1.00 0.00 N ATOM 0 H LYS A 90 7.934 7.670 -11.552 1.00 0.00 H new ATOM 0 HA LYS A 90 8.591 9.983 -9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.804 9.353 -12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.615 10.469 -12.036 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.628 10.895 -12.008 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.521 11.608 -13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.173 12.176 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.432 12.998 -11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.651 14.506 -11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.566 13.711 -12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.555 12.979 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.012 12.336 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.555 13.967 -10.946 1.00 0.00 H new ATOM 1378 N GLY A 91 5.958 8.622 -9.096 1.00 0.00 N ATOM 1379 CA GLY A 91 4.647 8.727 -8.466 1.00 0.00 C ATOM 1380 C GLY A 91 4.315 7.621 -7.471 1.00 0.00 C ATOM 1381 O GLY A 91 3.369 7.773 -6.696 1.00 0.00 O ATOM 0 H GLY A 91 6.388 7.699 -9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.584 9.687 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.886 8.732 -9.246 1.00 0.00 H new ATOM 1385 N LEU A 92 5.074 6.520 -7.458 1.00 0.00 N ATOM 1386 CA LEU A 92 4.931 5.421 -6.506 1.00 0.00 C ATOM 1387 C LEU A 92 6.232 4.606 -6.459 1.00 0.00 C ATOM 1388 O LEU A 92 7.231 5.025 -7.043 1.00 0.00 O ATOM 1389 CB LEU A 92 3.656 4.605 -6.805 1.00 0.00 C ATOM 1390 CG LEU A 92 3.557 3.975 -8.204 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.353 2.675 -8.289 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.088 3.705 -8.535 1.00 0.00 C ATOM 0 H LEU A 92 5.826 6.368 -8.130 1.00 0.00 H new ATOM 0 HA LEU A 92 4.784 5.802 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.580 3.808 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.793 5.256 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 92 3.980 4.674 -8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.261 2.257 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.403 2.876 -8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.965 1.962 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.015 3.258 -9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.668 3.021 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.533 4.643 -8.518 1.00 0.00 H new ATOM 1404 N PHE A 93 6.276 3.475 -5.752 1.00 0.00 N ATOM 1405 CA PHE A 93 7.456 2.597 -5.722 1.00 0.00 C ATOM 1406 C PHE A 93 7.066 1.114 -5.881 1.00 0.00 C ATOM 1407 O PHE A 93 5.884 0.757 -5.801 1.00 0.00 O ATOM 1408 CB PHE A 93 8.296 2.910 -4.479 1.00 0.00 C ATOM 1409 CG PHE A 93 7.586 2.675 -3.168 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.345 1.364 -2.730 1.00 0.00 C ATOM 1411 CD2 PHE A 93 7.136 3.762 -2.400 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.657 1.150 -1.531 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.441 3.540 -1.202 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.212 2.231 -0.757 1.00 0.00 C ATOM 0 H PHE A 93 5.498 3.139 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 93 8.092 2.799 -6.584 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.199 2.300 -4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.614 3.952 -4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.689 0.524 -3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.326 4.772 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.466 0.141 -1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.082 4.378 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.696 2.056 0.176 1.00 0.00 H new ATOM 1424 N ARG A 94 8.035 0.229 -6.166 1.00 0.00 N ATOM 1425 CA ARG A 94 7.813 -1.085 -6.792 1.00 0.00 C ATOM 1426 C ARG A 94 8.699 -2.170 -6.162 1.00 0.00 C ATOM 1427 O ARG A 94 9.808 -2.391 -6.663 1.00 0.00 O ATOM 1428 CB ARG A 94 8.126 -0.995 -8.309 1.00 0.00 C ATOM 1429 CG ARG A 94 7.274 -0.042 -9.156 1.00 0.00 C ATOM 1430 CD ARG A 94 5.799 -0.451 -9.145 1.00 0.00 C ATOM 1431 NE ARG A 94 5.231 -0.667 -10.496 1.00 0.00 N ATOM 1432 CZ ARG A 94 4.905 0.252 -11.414 1.00 0.00 C ATOM 1433 NH1 ARG A 94 5.259 1.520 -11.250 1.00 0.00 N ATOM 1434 NH2 ARG A 94 4.226 -0.090 -12.503 1.00 0.00 N ATOM 0 H ARG A 94 9.018 0.411 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 94 6.770 -1.359 -6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.170 -0.700 -8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.031 -1.995 -8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.374 0.974 -8.775 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.644 -0.035 -10.181 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.689 -1.367 -8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.221 0.321 -8.637 1.00 0.00 H new ATOM 0 HE ARG A 94 5.068 -1.638 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.783 1.800 -10.421 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.007 2.215 -11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.948 -1.061 -12.647 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.983 0.618 -13.196 1.00 0.00 H new ATOM 1448 N ILE A 95 8.250 -2.891 -5.129 1.00 0.00 N ATOM 1449 CA ILE A 95 9.086 -3.983 -4.614 1.00 0.00 C ATOM 1450 C ILE A 95 8.762 -5.222 -5.455 1.00 0.00 C ATOM 1451 O ILE A 95 7.573 -5.519 -5.639 1.00 0.00 O ATOM 1452 CB ILE A 95 8.787 -4.238 -3.115 1.00 0.00 C ATOM 1453 CG1 ILE A 95 9.174 -3.025 -2.246 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.535 -5.463 -2.570 1.00 0.00 C ATOM 1455 CD1 ILE A 95 7.953 -2.167 -1.936 1.00 0.00 C ATOM 0 H ILE A 95 7.359 -2.751 -4.652 1.00 0.00 H new ATOM 0 HA ILE A 95 10.144 -3.733 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 95 7.713 -4.415 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.628 -3.368 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.923 -2.426 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.292 -5.599 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.236 -6.350 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.609 -5.311 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.252 -1.318 -1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.516 -1.806 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.217 -2.763 -1.397 1.00 0.00 H new ATOM 1467 N PRO A 96 9.760 -6.052 -5.802 1.00 0.00 N ATOM 1468 CA PRO A 96 9.546 -7.288 -6.544 1.00 0.00 C ATOM 1469 C PRO A 96 9.042 -8.388 -5.616 1.00 0.00 C ATOM 1470 O PRO A 96 9.292 -8.360 -4.411 1.00 0.00 O ATOM 1471 CB PRO A 96 10.907 -7.642 -7.139 1.00 0.00 C ATOM 1472 CG PRO A 96 11.882 -7.066 -6.124 1.00 0.00 C ATOM 1473 CD PRO A 96 11.188 -5.782 -5.697 1.00 0.00 C ATOM 0 HA PRO A 96 8.790 -7.176 -7.321 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.031 -8.719 -7.252 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.044 -7.200 -8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.040 -7.742 -5.283 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.860 -6.872 -6.565 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.461 -5.510 -4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.477 -4.949 -6.338 1.00 0.00 H new ATOM 1481 N TRP A 97 8.346 -9.382 -6.165 1.00 0.00 N ATOM 1482 CA TRP A 97 7.703 -10.396 -5.336 1.00 0.00 C ATOM 1483 C TRP A 97 8.659 -11.260 -4.503 1.00 0.00 C ATOM 1484 O TRP A 97 8.212 -11.846 -3.519 1.00 0.00 O ATOM 1485 CB TRP A 97 6.787 -11.268 -6.187 1.00 0.00 C ATOM 1486 CG TRP A 97 5.594 -10.569 -6.771 1.00 0.00 C ATOM 1487 CD1 TRP A 97 5.227 -10.583 -8.071 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.547 -9.828 -6.075 1.00 0.00 C ATOM 1489 NE1 TRP A 97 4.072 -9.839 -8.237 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.611 -9.349 -7.037 1.00 0.00 C ATOM 1491 CE3 TRP A 97 4.254 -9.577 -4.720 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.473 -8.615 -6.676 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 3.109 -8.853 -4.339 1.00 0.00 C ATOM 1494 CH2 TRP A 97 2.225 -8.364 -5.315 1.00 0.00 C ATOM 0 H TRP A 97 8.214 -9.505 -7.169 1.00 0.00 H new ATOM 0 HA TRP A 97 7.120 -9.841 -4.601 1.00 0.00 H new ATOM 0 HB2 TRP A 97 7.373 -11.694 -7.002 1.00 0.00 H new ATOM 0 HB3 TRP A 97 6.437 -12.101 -5.577 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.755 -11.097 -8.861 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.619 -9.675 -9.136 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.922 -9.948 -3.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.796 -8.247 -7.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.909 -8.673 -3.293 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.355 -7.796 -5.020 1.00 0.00 H new ATOM 1505 N ASN A 98 9.946 -11.343 -4.846 1.00 0.00 N ATOM 1506 CA ASN A 98 10.943 -12.030 -4.023 1.00 0.00 C ATOM 1507 C ASN A 98 11.195 -11.273 -2.715 1.00 0.00 C ATOM 1508 O ASN A 98 11.267 -11.889 -1.649 1.00 0.00 O ATOM 1509 CB ASN A 98 12.264 -12.187 -4.792 1.00 0.00 C ATOM 1510 CG ASN A 98 13.367 -12.792 -3.920 1.00 0.00 C ATOM 1511 OD1 ASN A 98 13.315 -13.953 -3.525 1.00 0.00 O ATOM 1512 ND2 ASN A 98 14.403 -12.035 -3.609 1.00 0.00 N ATOM 0 H ASN A 98 10.326 -10.936 -5.701 1.00 0.00 H new ATOM 0 HA ASN A 98 10.549 -13.018 -3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.103 -12.821 -5.664 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.587 -11.213 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.160 -12.415 -3.041 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.446 -11.070 -3.937 1.00 0.00 H new ATOM 1519 N ASP A 99 11.346 -9.951 -2.789 1.00 0.00 N ATOM 1520 CA ASP A 99 11.997 -9.150 -1.750 1.00 0.00 C ATOM 1521 C ASP A 99 10.948 -8.673 -0.721 1.00 0.00 C ATOM 1522 O ASP A 99 9.780 -8.504 -1.083 1.00 0.00 O ATOM 1523 CB ASP A 99 12.712 -7.932 -2.369 1.00 0.00 C ATOM 1524 CG ASP A 99 13.833 -8.172 -3.382 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.141 -9.322 -3.744 1.00 0.00 O ATOM 1526 OD2 ASP A 99 14.458 -7.173 -3.815 1.00 0.00 O ATOM 0 H ASP A 99 11.016 -9.399 -3.581 1.00 0.00 H new ATOM 0 HA ASP A 99 12.740 -9.771 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.955 -7.316 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.127 -7.342 -1.552 1.00 0.00 H new ATOM 1531 N PRO A 100 11.286 -8.462 0.565 1.00 0.00 N ATOM 1532 CA PRO A 100 10.321 -8.123 1.617 1.00 0.00 C ATOM 1533 C PRO A 100 9.915 -6.641 1.576 1.00 0.00 C ATOM 1534 O PRO A 100 10.758 -5.751 1.683 1.00 0.00 O ATOM 1535 CB PRO A 100 11.022 -8.476 2.929 1.00 0.00 C ATOM 1536 CG PRO A 100 12.499 -8.258 2.607 1.00 0.00 C ATOM 1537 CD PRO A 100 12.607 -8.664 1.137 1.00 0.00 C ATOM 0 HA PRO A 100 9.388 -8.673 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.690 -7.837 3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.823 -9.505 3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.794 -7.220 2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.142 -8.869 3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.352 -8.060 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.918 -9.704 1.042 1.00 0.00 H new ATOM 1545 N VAL A 101 8.617 -6.353 1.460 1.00 0.00 N ATOM 1546 CA VAL A 101 8.051 -5.037 1.122 1.00 0.00 C ATOM 1547 C VAL A 101 8.217 -3.941 2.197 1.00 0.00 C ATOM 1548 O VAL A 101 7.629 -2.875 2.070 1.00 0.00 O ATOM 1549 CB VAL A 101 6.578 -5.213 0.681 1.00 0.00 C ATOM 1550 CG1 VAL A 101 6.425 -6.243 -0.448 1.00 0.00 C ATOM 1551 CG2 VAL A 101 5.676 -5.634 1.832 1.00 0.00 C ATOM 0 H VAL A 101 7.896 -7.060 1.605 1.00 0.00 H new ATOM 0 HA VAL A 101 8.645 -4.652 0.293 1.00 0.00 H new ATOM 0 HB VAL A 101 6.272 -4.231 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.373 -6.330 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.000 -5.920 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.793 -7.211 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.653 -5.744 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.022 -6.585 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.705 -4.875 2.614 1.00 0.00 H new ATOM 1561 N HIS A 102 9.006 -4.179 3.241 1.00 0.00 N ATOM 1562 CA HIS A 102 9.354 -3.271 4.333 1.00 0.00 C ATOM 1563 C HIS A 102 8.174 -2.477 4.890 1.00 0.00 C ATOM 1564 O HIS A 102 7.984 -1.290 4.619 1.00 0.00 O ATOM 1565 CB HIS A 102 10.562 -2.379 3.969 1.00 0.00 C ATOM 1566 CG HIS A 102 11.849 -2.761 4.646 1.00 0.00 C ATOM 1567 ND1 HIS A 102 12.280 -2.264 5.857 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.887 -3.478 4.105 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.534 -2.679 6.049 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.956 -3.409 5.006 1.00 0.00 N ATOM 0 H HIS A 102 9.456 -5.087 3.356 1.00 0.00 H new ATOM 0 HA HIS A 102 9.661 -3.910 5.161 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.710 -2.414 2.890 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.325 -1.346 4.225 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.880 -3.999 3.159 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.127 -2.457 6.924 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.877 -3.832 4.892 1.00 0.00 H new ATOM 1578 N TYR A 103 7.415 -3.135 5.774 1.00 0.00 N ATOM 1579 CA TYR A 103 6.285 -2.521 6.449 1.00 0.00 C ATOM 1580 C TYR A 103 6.730 -1.320 7.274 1.00 0.00 C ATOM 1581 O TYR A 103 5.946 -0.402 7.462 1.00 0.00 O ATOM 1582 CB TYR A 103 5.577 -3.538 7.353 1.00 0.00 C ATOM 1583 CG TYR A 103 4.758 -4.621 6.683 1.00 0.00 C ATOM 1584 CD1 TYR A 103 4.793 -4.818 5.289 1.00 0.00 C ATOM 1585 CD2 TYR A 103 3.900 -5.407 7.474 1.00 0.00 C ATOM 1586 CE1 TYR A 103 3.943 -5.762 4.696 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.059 -6.364 6.889 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.077 -6.537 5.492 1.00 0.00 C ATOM 1589 OH TYR A 103 2.291 -7.473 4.906 1.00 0.00 O ATOM 0 H TYR A 103 7.574 -4.108 6.036 1.00 0.00 H new ATOM 0 HA TYR A 103 5.587 -2.180 5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.333 -4.022 7.970 1.00 0.00 H new ATOM 0 HB3 TYR A 103 4.920 -2.988 8.027 1.00 0.00 H new ATOM 0 HD1 TYR A 103 5.473 -4.243 4.678 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.889 -5.271 8.545 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.952 -5.896 3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.404 -6.963 7.504 1.00 0.00 H new ATOM 0 HH TYR A 103 2.609 -8.367 5.151 1.00 0.00 H new ATOM 1599 N GLU A 104 7.978 -1.307 7.744 1.00 0.00 N ATOM 1600 CA GLU A 104 8.506 -0.225 8.552 1.00 0.00 C ATOM 1601 C GLU A 104 8.541 1.079 7.757 1.00 0.00 C ATOM 1602 O GLU A 104 7.928 2.060 8.170 1.00 0.00 O ATOM 1603 CB GLU A 104 9.890 -0.666 9.041 1.00 0.00 C ATOM 1604 CG GLU A 104 10.587 0.330 9.978 1.00 0.00 C ATOM 1605 CD GLU A 104 11.184 -0.411 11.174 1.00 0.00 C ATOM 1606 OE1 GLU A 104 12.150 -1.195 10.987 1.00 0.00 O ATOM 1607 OE2 GLU A 104 10.592 -0.300 12.268 1.00 0.00 O ATOM 0 H GLU A 104 8.649 -2.055 7.570 1.00 0.00 H new ATOM 0 HA GLU A 104 7.869 -0.020 9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.791 -1.621 9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.529 -0.837 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.372 0.861 9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.874 1.079 10.322 1.00 0.00 H new ATOM 1614 N LEU A 105 9.209 1.093 6.599 1.00 0.00 N ATOM 1615 CA LEU A 105 9.412 2.323 5.837 1.00 0.00 C ATOM 1616 C LEU A 105 8.058 2.895 5.421 1.00 0.00 C ATOM 1617 O LEU A 105 7.792 4.089 5.560 1.00 0.00 O ATOM 1618 CB LEU A 105 10.270 2.000 4.595 1.00 0.00 C ATOM 1619 CG LEU A 105 11.286 3.068 4.155 1.00 0.00 C ATOM 1620 CD1 LEU A 105 10.631 4.376 3.712 1.00 0.00 C ATOM 1621 CD2 LEU A 105 12.338 3.311 5.232 1.00 0.00 C ATOM 0 H LEU A 105 9.618 0.263 6.171 1.00 0.00 H new ATOM 0 HA LEU A 105 9.927 3.065 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.813 1.075 4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.598 1.806 3.759 1.00 0.00 H new ATOM 0 HG LEU A 105 11.787 2.666 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.402 5.087 3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.969 4.184 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.054 4.792 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.040 4.071 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.851 3.652 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.875 2.384 5.432 1.00 0.00 H new ATOM 1633 N LEU A 106 7.198 2.018 4.898 1.00 0.00 N ATOM 1634 CA LEU A 106 5.889 2.388 4.388 1.00 0.00 C ATOM 1635 C LEU A 106 4.912 2.733 5.521 1.00 0.00 C ATOM 1636 O LEU A 106 4.065 3.598 5.309 1.00 0.00 O ATOM 1637 CB LEU A 106 5.447 1.352 3.344 1.00 0.00 C ATOM 1638 CG LEU A 106 4.492 0.252 3.822 1.00 0.00 C ATOM 1639 CD1 LEU A 106 3.060 0.712 3.575 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.753 -1.056 3.082 1.00 0.00 C ATOM 0 H LEU A 106 7.400 1.021 4.819 1.00 0.00 H new ATOM 0 HA LEU A 106 5.920 3.330 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.969 1.882 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.340 0.875 2.940 1.00 0.00 H new ATOM 0 HG LEU A 106 4.653 0.073 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.367 -0.060 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.873 1.632 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.915 0.893 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.063 -1.820 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.605 -0.905 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.778 -1.379 3.265 1.00 0.00 H new ATOM 1652 N LYS A 107 5.076 2.176 6.735 1.00 0.00 N ATOM 1653 CA LYS A 107 4.397 2.668 7.934 1.00 0.00 C ATOM 1654 C LYS A 107 4.770 4.122 8.149 1.00 0.00 C ATOM 1655 O LYS A 107 3.859 4.940 8.269 1.00 0.00 O ATOM 1656 CB LYS A 107 4.713 1.829 9.198 1.00 0.00 C ATOM 1657 CG LYS A 107 4.474 2.588 10.503 1.00 0.00 C ATOM 1658 CD LYS A 107 4.685 1.702 11.732 1.00 0.00 C ATOM 1659 CE LYS A 107 3.446 1.865 12.597 1.00 0.00 C ATOM 1660 NZ LYS A 107 3.531 1.142 13.881 1.00 0.00 N ATOM 0 H LYS A 107 5.683 1.374 6.906 1.00 0.00 H new ATOM 0 HA LYS A 107 3.323 2.573 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.098 0.929 9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.753 1.505 9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.148 3.443 10.553 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.458 2.982 10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 107 4.821 0.660 11.441 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.581 2.000 12.277 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.286 2.925 12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.576 1.509 12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.656 1.293 14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 3.654 0.125 13.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.342 1.497 14.426 1.00 0.00 H new ATOM 1674 N GLN A 108 6.068 4.435 8.242 1.00 0.00 N ATOM 1675 CA GLN A 108 6.454 5.776 8.664 1.00 0.00 C ATOM 1676 C GLN A 108 5.888 6.814 7.694 1.00 0.00 C ATOM 1677 O GLN A 108 5.427 7.873 8.118 1.00 0.00 O ATOM 1678 CB GLN A 108 7.974 5.945 8.814 1.00 0.00 C ATOM 1679 CG GLN A 108 8.609 4.934 9.782 1.00 0.00 C ATOM 1680 CD GLN A 108 9.874 5.455 10.461 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.032 5.361 11.676 1.00 0.00 O ATOM 1682 NE2 GLN A 108 10.805 6.018 9.707 1.00 0.00 N ATOM 0 H GLN A 108 6.840 3.800 8.038 1.00 0.00 H new ATOM 0 HA GLN A 108 6.029 5.933 9.655 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.442 5.842 7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.187 6.955 9.164 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.879 4.667 10.546 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.848 4.021 9.237 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.668 6.093 8.699 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.659 6.377 10.134 1.00 0.00 H new ATOM 1691 N MET A 109 5.890 6.460 6.410 1.00 0.00 N ATOM 1692 CA MET A 109 5.278 7.186 5.313 1.00 0.00 C ATOM 1693 C MET A 109 3.806 7.484 5.597 1.00 0.00 C ATOM 1694 O MET A 109 3.423 8.652 5.621 1.00 0.00 O ATOM 1695 CB MET A 109 5.470 6.354 4.037 1.00 0.00 C ATOM 1696 CG MET A 109 5.978 7.154 2.847 1.00 0.00 C ATOM 1697 SD MET A 109 6.248 6.082 1.418 1.00 0.00 S ATOM 1698 CE MET A 109 7.788 5.255 1.895 1.00 0.00 C ATOM 0 H MET A 109 6.349 5.605 6.095 1.00 0.00 H new ATOM 0 HA MET A 109 5.755 8.158 5.186 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.172 5.546 4.245 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.520 5.891 3.771 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.258 7.932 2.592 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.909 7.656 3.112 1.00 0.00 H new ATOM 0 HE1 MET A 109 7.777 4.227 1.532 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.635 5.785 1.460 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.880 5.255 2.981 1.00 0.00 H new ATOM 1708 N ILE A 110 2.972 6.450 5.774 1.00 0.00 N ATOM 1709 CA ILE A 110 1.530 6.642 5.873 1.00 0.00 C ATOM 1710 C ILE A 110 1.168 7.375 7.168 1.00 0.00 C ATOM 1711 O ILE A 110 0.398 8.331 7.112 1.00 0.00 O ATOM 1712 CB ILE A 110 0.786 5.305 5.633 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.710 5.525 5.344 1.00 0.00 C ATOM 1714 CG2 ILE A 110 0.978 4.229 6.709 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.604 5.666 6.577 1.00 0.00 C ATOM 0 H ILE A 110 3.275 5.479 5.850 1.00 0.00 H new ATOM 0 HA ILE A 110 1.182 7.301 5.078 1.00 0.00 H new ATOM 0 HB ILE A 110 1.272 4.901 4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.817 6.423 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.074 4.689 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.412 3.338 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.036 3.978 6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.623 4.606 7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.637 5.817 6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.537 4.761 7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.276 6.521 7.168 1.00 0.00 H new ATOM 1727 N GLU A 111 1.740 6.971 8.308 1.00 0.00 N ATOM 1728 CA GLU A 111 1.489 7.591 9.610 1.00 0.00 C ATOM 1729 C GLU A 111 1.769 9.086 9.522 1.00 0.00 C ATOM 1730 O GLU A 111 0.933 9.890 9.932 1.00 0.00 O ATOM 1731 CB GLU A 111 2.365 6.930 10.688 1.00 0.00 C ATOM 1732 CG GLU A 111 1.820 5.579 11.158 1.00 0.00 C ATOM 1733 CD GLU A 111 0.994 5.635 12.449 1.00 0.00 C ATOM 1734 OE1 GLU A 111 0.226 6.596 12.673 1.00 0.00 O ATOM 1735 OE2 GLU A 111 1.139 4.714 13.293 1.00 0.00 O ATOM 0 H GLU A 111 2.399 6.194 8.351 1.00 0.00 H new ATOM 0 HA GLU A 111 0.445 7.446 9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.372 6.792 10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.446 7.600 11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.202 5.156 10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 111 2.657 4.897 11.308 1.00 0.00 H new ATOM 1742 N PHE A 112 2.904 9.459 8.925 1.00 0.00 N ATOM 1743 CA PHE A 112 3.256 10.851 8.727 1.00 0.00 C ATOM 1744 C PHE A 112 2.255 11.553 7.821 1.00 0.00 C ATOM 1745 O PHE A 112 1.792 12.640 8.145 1.00 0.00 O ATOM 1746 CB PHE A 112 4.664 10.968 8.155 1.00 0.00 C ATOM 1747 CG PHE A 112 5.071 12.412 7.983 1.00 0.00 C ATOM 1748 CD1 PHE A 112 5.423 13.159 9.120 1.00 0.00 C ATOM 1749 CD2 PHE A 112 5.002 13.037 6.721 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.715 14.523 8.998 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.298 14.407 6.603 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.653 15.147 7.742 1.00 0.00 C ATOM 0 H PHE A 112 3.597 8.800 8.569 1.00 0.00 H new ATOM 0 HA PHE A 112 3.229 11.343 9.699 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.370 10.466 8.817 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.711 10.458 7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.468 12.681 10.088 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.723 12.466 5.848 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.988 15.096 9.872 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.252 14.889 5.638 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.879 16.199 7.652 1.00 0.00 H new ATOM 1762 N ASN A 113 1.914 10.949 6.682 1.00 0.00 N ATOM 1763 CA ASN A 113 1.013 11.560 5.708 1.00 0.00 C ATOM 1764 C ASN A 113 -0.384 11.809 6.308 1.00 0.00 C ATOM 1765 O ASN A 113 -1.103 12.661 5.795 1.00 0.00 O ATOM 1766 CB ASN A 113 0.974 10.681 4.443 1.00 0.00 C ATOM 1767 CG ASN A 113 0.561 11.392 3.149 1.00 0.00 C ATOM 1768 OD1 ASN A 113 1.243 11.256 2.138 1.00 0.00 O ATOM 1769 ND2 ASN A 113 -0.540 12.120 3.125 1.00 0.00 N ATOM 0 H ASN A 113 2.254 10.026 6.411 1.00 0.00 H new ATOM 0 HA ASN A 113 1.388 12.544 5.428 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.962 10.245 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.284 9.856 4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.831 12.576 2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.100 12.226 3.971 1.00 0.00 H new ATOM 1776 N ILE A 114 -0.762 11.125 7.397 1.00 0.00 N ATOM 1777 CA ILE A 114 -1.904 11.482 8.234 1.00 0.00 C ATOM 1778 C ILE A 114 -1.511 12.652 9.153 1.00 0.00 C ATOM 1779 O ILE A 114 -2.143 13.711 9.099 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.389 10.260 9.054 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -2.881 9.099 8.149 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.524 10.656 10.022 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.082 7.758 8.881 1.00 0.00 C ATOM 0 H ILE A 114 -0.270 10.293 7.722 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.734 11.795 7.600 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.525 9.913 9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.824 9.391 7.686 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.162 8.954 7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -3.845 9.779 10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.164 11.418 10.713 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.366 11.050 9.453 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.426 7.005 8.172 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.137 7.438 9.320 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.825 7.881 9.669 1.00 0.00 H new ATOM 1795 N GLN A 115 -0.542 12.460 10.064 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.341 13.394 11.182 1.00 0.00 C ATOM 1797 C GLN A 115 0.241 14.739 10.751 1.00 0.00 C ATOM 1798 O GLN A 115 0.257 15.688 11.530 1.00 0.00 O ATOM 1799 CB GLN A 115 0.507 12.789 12.310 1.00 0.00 C ATOM 1800 CG GLN A 115 1.955 12.496 11.902 1.00 0.00 C ATOM 1801 CD GLN A 115 2.908 12.513 13.086 1.00 0.00 C ATOM 1802 OE1 GLN A 115 3.288 11.463 13.600 1.00 0.00 O ATOM 1803 NE2 GLN A 115 3.357 13.682 13.512 1.00 0.00 N ATOM 0 H GLN A 115 0.108 11.674 10.048 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.343 13.581 11.569 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.509 13.474 13.158 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.040 11.864 12.648 1.00 0.00 H new ATOM 0 HG2 GLN A 115 2.002 11.522 11.416 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.279 13.234 11.168 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.031 14.544 13.074 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.029 13.722 14.278 1.00 0.00 H new ATOM 1812 N ASP A 116 0.740 14.825 9.526 1.00 0.00 N ATOM 1813 CA ASP A 116 1.201 16.083 8.941 1.00 0.00 C ATOM 1814 C ASP A 116 0.020 17.042 8.785 1.00 0.00 C ATOM 1815 O ASP A 116 0.147 18.247 8.998 1.00 0.00 O ATOM 1816 CB ASP A 116 1.885 15.813 7.593 1.00 0.00 C ATOM 1817 CG ASP A 116 2.242 17.104 6.854 1.00 0.00 C ATOM 1818 OD1 ASP A 116 3.291 17.729 7.134 1.00 0.00 O ATOM 1819 OD2 ASP A 116 1.475 17.497 5.943 1.00 0.00 O ATOM 0 H ASP A 116 0.838 14.022 8.904 1.00 0.00 H new ATOM 0 HA ASP A 116 1.932 16.549 9.601 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.791 15.229 7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.226 15.210 6.968 1.00 0.00 H new ATOM 1824 N LYS A 117 -1.155 16.501 8.457 1.00 0.00 N ATOM 1825 CA LYS A 117 -2.397 17.217 8.160 1.00 0.00 C ATOM 1826 C LYS A 117 -3.129 17.674 9.432 1.00 0.00 C ATOM 1827 O LYS A 117 -4.279 18.109 9.342 1.00 0.00 O ATOM 1828 CB LYS A 117 -3.333 16.295 7.354 1.00 0.00 C ATOM 1829 CG LYS A 117 -2.713 15.536 6.166 1.00 0.00 C ATOM 1830 CD LYS A 117 -2.415 16.367 4.916 1.00 0.00 C ATOM 1831 CE LYS A 117 -3.722 16.837 4.268 1.00 0.00 C ATOM 1832 NZ LYS A 117 -3.573 17.093 2.820 1.00 0.00 N ATOM 0 H LYS A 117 -1.272 15.490 8.387 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.132 18.107 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.759 15.562 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.160 16.897 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.784 15.075 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.387 14.727 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -1.802 17.228 5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -1.841 15.774 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.493 16.082 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.062 17.747 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -4.483 17.408 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.857 17.832 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -3.274 16.219 2.342 1.00 0.00 H new ATOM 1846 N GLU A 118 -2.510 17.509 10.603 1.00 0.00 N ATOM 1847 CA GLU A 118 -3.091 17.527 11.945 1.00 0.00 C ATOM 1848 C GLU A 118 -4.067 18.673 12.132 1.00 0.00 C ATOM 1849 O GLU A 118 -5.259 18.388 12.382 1.00 0.00 O ATOM 1850 CB GLU A 118 -1.946 17.559 12.969 1.00 0.00 C ATOM 1851 CG GLU A 118 -1.880 16.322 13.878 1.00 0.00 C ATOM 1852 CD GLU A 118 -0.594 16.234 14.723 1.00 0.00 C ATOM 1853 OE1 GLU A 118 0.274 17.146 14.702 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -0.446 15.256 15.502 1.00 0.00 O ATOM 0 H GLU A 118 -1.504 17.346 10.638 1.00 0.00 H new ATOM 0 HA GLU A 118 -3.681 16.623 12.096 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.000 17.656 12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.054 18.448 13.591 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.742 16.328 14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.960 15.426 13.262 1.00 0.00 H new