USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1099 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 GLN : amide:sc= -0.191 K(o=-1.1,f=-2) USER MOD Set 1.2: A 102 GLN : amide:sc= -0.872 K(o=-1.1,f=-2.1) USER MOD Set 2.1: A 67 SER OG : rot -95:sc= 0.652 USER MOD Set 2.2: A 106 LYS NZ :NH3+ -146:sc= 0.407 (180deg=-2.48!) USER MOD Set 3.1: A 61 TYR OH : rot 40:sc= 0.497 USER MOD Set 3.2: A 65 GLN : amide:sc= 0.359 K(o=0.86,f=-1) USER MOD Set 4.1: A 52 ASN : amide:sc= -9.63! C(o=-16!,f=-9!) USER MOD Set 4.2: A 53 GLN : amide:sc= -6.85! C(o=-16!,f=-14!) USER MOD Set 5.1: A 37 THR OG1 : rot 92:sc= 1.14 USER MOD Set 5.2: A 38 ASN : amide:sc= -3.18! K(o=-2!,f=-0.86) USER MOD Set 6.1: A 2 ASN : amide:sc= -8.45! C(o=-15!,f=-14!) USER MOD Set 6.2: A 87 GLN : amide:sc= -7.04! C(o=-15!,f=-14!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0239 (180deg=-0.324) USER MOD Single : A 1 MET N :NH3+ -145:sc= 0 (180deg=-0.00682) USER MOD Single : A 5 TYR OH : rot 80:sc=-0.00175 USER MOD Single : A 6 GLN : amide:sc= -9.86! C(o=-9.9!,f=-15!) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= -0.854 (180deg=-1.41!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 32:sc= -1.56! USER MOD Single : A 25 ASN : amide:sc= -6.48! C(o=-6.5!,f=-6.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 23:sc= -2.57! USER MOD Single : A 42 GLN : amide:sc= -1.81 K(o=-1.8,f=-3.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -135:sc= -3.36! USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.55! USER MOD Single : A 54 LYS NZ :NH3+ -138:sc= 0.868 (180deg=-1.1) USER MOD Single : A 55 THR OG1 : rot -53:sc= 1.21 USER MOD Single : A 58 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.57) USER MOD Single : A 72 ASN : amide:sc= -5.44! C(o=-5.4!,f=-3.3!) USER MOD Single : A 75 THR OG1 : rot 58:sc= -3.39 USER MOD Single : A 77 SER OG : rot -157:sc= -0.455 USER MOD Single : A 78 GLN : amide:sc= -9.58! C(o=-9.6!,f=-6.4!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0151 K(o=-0.015,f=-0.76) USER MOD Single : A 90 GLN : amide:sc= -7.25! C(o=-7.3!,f=-6.8!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 148:sc= -1.28 USER MOD Single : A 97 ASN : amide:sc= -5.15! K(o=-5.1!,f=-1.6) USER MOD Single : A 105 LYS NZ :NH3+ 153:sc= -0.107 (180deg=-0.486) USER MOD Single : A 108 LYS NZ :NH3+ -132:sc=-0.00633 (180deg=-1.58) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HE2:sc= -0.84 K(o=-0.84,f=-4.5!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -2 X(o=-2,f=-1.6) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.122 5.341 -0.139 1.00 2.96 N ATOM 2 CA MET A 1 -22.321 4.976 1.288 1.00 2.14 C ATOM 3 C MET A 1 -21.456 5.838 2.201 1.00 1.93 C ATOM 4 O MET A 1 -21.966 6.558 3.059 1.00 2.77 O ATOM 5 CB MET A 1 -21.964 3.499 1.469 1.00 2.48 C ATOM 6 CG MET A 1 -23.025 2.544 0.945 1.00 3.11 C ATOM 7 SD MET A 1 -24.584 2.673 1.844 1.00 3.62 S ATOM 8 CE MET A 1 -24.122 1.974 3.427 1.00 4.70 C ATOM 0 H1 MET A 1 -23.021 5.240 -0.652 1.00 2.96 H new ATOM 0 H2 MET A 1 -21.796 6.326 -0.203 1.00 2.96 H new ATOM 0 H3 MET A 1 -21.410 4.712 -0.562 1.00 2.96 H new ATOM 0 HA MET A 1 -23.363 5.148 1.559 1.00 2.14 H new ATOM 0 HB2 MET A 1 -21.022 3.297 0.959 1.00 2.48 H new ATOM 0 HB3 MET A 1 -21.801 3.301 2.528 1.00 2.48 H new ATOM 0 HG2 MET A 1 -23.202 2.748 -0.111 1.00 3.11 H new ATOM 0 HG3 MET A 1 -22.654 1.522 1.015 1.00 3.11 H new ATOM 0 HE1 MET A 1 -25.021 1.721 3.989 1.00 4.70 H new ATOM 0 HE2 MET A 1 -23.528 1.074 3.268 1.00 4.70 H new ATOM 0 HE3 MET A 1 -23.536 2.701 3.989 1.00 4.70 H new ATOM 20 N ASN A 2 -20.143 5.759 2.006 1.00 1.14 N ATOM 21 CA ASN A 2 -19.203 6.532 2.809 1.00 0.94 C ATOM 22 C ASN A 2 -18.746 7.781 2.058 1.00 1.05 C ATOM 23 O ASN A 2 -19.420 8.241 1.137 1.00 1.69 O ATOM 24 CB ASN A 2 -17.996 5.671 3.190 1.00 0.90 C ATOM 25 CG ASN A 2 -17.373 6.103 4.500 1.00 1.88 C ATOM 26 OD1 ASN A 2 -17.978 5.964 5.562 1.00 2.37 O ATOM 27 ND2 ASN A 2 -16.161 6.640 4.428 1.00 2.64 N ATOM 0 H ASN A 2 -19.707 5.167 1.299 1.00 1.14 H new ATOM 0 HA ASN A 2 -19.712 6.848 3.720 1.00 0.94 H new ATOM 0 HB2 ASN A 2 -18.305 4.628 3.264 1.00 0.90 H new ATOM 0 HB3 ASN A 2 -17.248 5.727 2.399 1.00 0.90 H new ATOM 0 HD21 ASN A 2 -15.693 6.958 5.277 1.00 2.64 H new ATOM 0 HD22 ASN A 2 -15.698 6.735 3.524 1.00 2.64 H new ATOM 34 N GLU A 3 -17.601 8.327 2.463 1.00 0.79 N ATOM 35 CA GLU A 3 -17.051 9.524 1.835 1.00 0.82 C ATOM 36 C GLU A 3 -16.974 9.368 0.319 1.00 0.82 C ATOM 37 O GLU A 3 -17.397 10.253 -0.425 1.00 1.02 O ATOM 38 CB GLU A 3 -15.660 9.826 2.398 1.00 0.78 C ATOM 39 CG GLU A 3 -15.454 11.287 2.765 1.00 0.87 C ATOM 40 CD GLU A 3 -14.606 12.031 1.752 1.00 1.96 C ATOM 41 OE1 GLU A 3 -13.754 11.388 1.103 1.00 2.72 O ATOM 42 OE2 GLU A 3 -14.794 13.257 1.606 1.00 2.50 O ATOM 0 H GLU A 3 -17.035 7.957 3.227 1.00 0.79 H new ATOM 0 HA GLU A 3 -17.719 10.356 2.059 1.00 0.82 H new ATOM 0 HB2 GLU A 3 -15.494 9.211 3.283 1.00 0.78 H new ATOM 0 HB3 GLU A 3 -14.909 9.536 1.663 1.00 0.78 H new ATOM 0 HG2 GLU A 3 -16.424 11.776 2.850 1.00 0.87 H new ATOM 0 HG3 GLU A 3 -14.980 11.348 3.744 1.00 0.87 H new ATOM 49 N LEU A 4 -16.428 8.243 -0.133 1.00 0.65 N ATOM 50 CA LEU A 4 -16.296 7.984 -1.563 1.00 0.69 C ATOM 51 C LEU A 4 -16.393 6.492 -1.875 1.00 0.69 C ATOM 52 O LEU A 4 -16.727 6.108 -2.994 1.00 0.91 O ATOM 53 CB LEU A 4 -14.951 8.516 -2.077 1.00 0.65 C ATOM 54 CG LEU A 4 -15.018 9.700 -3.052 1.00 0.81 C ATOM 55 CD1 LEU A 4 -16.209 9.579 -3.993 1.00 1.51 C ATOM 56 CD2 LEU A 4 -15.069 11.014 -2.287 1.00 1.29 C ATOM 0 H LEU A 4 -16.071 7.499 0.467 1.00 0.65 H new ATOM 0 HA LEU A 4 -17.116 8.498 -2.064 1.00 0.69 H new ATOM 0 HB2 LEU A 4 -14.349 8.813 -1.218 1.00 0.65 H new ATOM 0 HB3 LEU A 4 -14.424 7.698 -2.568 1.00 0.65 H new ATOM 0 HG LEU A 4 -14.114 9.685 -3.661 1.00 0.81 H new ATOM 0 HD11 LEU A 4 -16.226 10.433 -4.670 1.00 1.51 H new ATOM 0 HD12 LEU A 4 -16.123 8.659 -4.572 1.00 1.51 H new ATOM 0 HD13 LEU A 4 -17.131 9.558 -3.412 1.00 1.51 H new ATOM 0 HD21 LEU A 4 -15.116 11.844 -2.992 1.00 1.29 H new ATOM 0 HD22 LEU A 4 -15.952 11.029 -1.649 1.00 1.29 H new ATOM 0 HD23 LEU A 4 -14.175 11.111 -1.671 1.00 1.29 H new ATOM 68 N TYR A 5 -16.079 5.658 -0.890 1.00 0.60 N ATOM 69 CA TYR A 5 -16.102 4.219 -1.061 1.00 0.61 C ATOM 70 C TYR A 5 -16.581 3.538 0.211 1.00 0.58 C ATOM 71 O TYR A 5 -16.984 4.189 1.164 1.00 0.63 O ATOM 72 CB TYR A 5 -14.712 3.711 -1.433 1.00 0.60 C ATOM 73 CG TYR A 5 -13.657 4.106 -0.434 1.00 0.47 C ATOM 74 CD1 TYR A 5 -13.376 3.299 0.656 1.00 0.50 C ATOM 75 CD2 TYR A 5 -12.931 5.274 -0.594 1.00 0.43 C ATOM 76 CE1 TYR A 5 -12.399 3.647 1.566 1.00 0.48 C ATOM 77 CE2 TYR A 5 -11.950 5.629 0.307 1.00 0.34 C ATOM 78 CZ TYR A 5 -11.741 4.853 1.427 1.00 0.36 C ATOM 79 OH TYR A 5 -10.709 5.164 2.286 1.00 0.40 O ATOM 0 H TYR A 5 -15.803 5.963 0.043 1.00 0.60 H new ATOM 0 HA TYR A 5 -16.795 3.979 -1.867 1.00 0.61 H new ATOM 0 HB2 TYR A 5 -14.738 2.624 -1.516 1.00 0.60 H new ATOM 0 HB3 TYR A 5 -14.439 4.099 -2.414 1.00 0.60 H new ATOM 0 HD1 TYR A 5 -13.930 2.383 0.796 1.00 0.50 H new ATOM 0 HD2 TYR A 5 -13.136 5.917 -1.437 1.00 0.43 H new ATOM 0 HE1 TYR A 5 -12.151 2.982 2.380 1.00 0.48 H new ATOM 0 HE2 TYR A 5 -11.349 6.510 0.136 1.00 0.34 H new ATOM 0 HH TYR A 5 -9.892 4.708 1.995 1.00 0.40 H new ATOM 89 N GLN A 6 -16.530 2.224 0.203 1.00 0.62 N ATOM 90 CA GLN A 6 -16.954 1.412 1.341 1.00 0.63 C ATOM 91 C GLN A 6 -15.922 1.481 2.468 1.00 0.59 C ATOM 92 O GLN A 6 -14.800 0.997 2.322 1.00 0.64 O ATOM 93 CB GLN A 6 -17.156 -0.026 0.892 1.00 0.78 C ATOM 94 CG GLN A 6 -16.842 -0.218 -0.577 1.00 1.57 C ATOM 95 CD GLN A 6 -15.364 -0.007 -0.853 1.00 1.64 C ATOM 96 OE1 GLN A 6 -14.524 -0.230 0.017 1.00 2.13 O ATOM 97 NE2 GLN A 6 -15.036 0.446 -2.045 1.00 1.48 N ATOM 0 H GLN A 6 -16.194 1.680 -0.591 1.00 0.62 H new ATOM 0 HA GLN A 6 -17.897 1.803 1.724 1.00 0.63 H new ATOM 0 HB2 GLN A 6 -16.520 -0.683 1.486 1.00 0.78 H new ATOM 0 HB3 GLN A 6 -18.187 -0.323 1.083 1.00 0.78 H new ATOM 0 HG2 GLN A 6 -17.133 -1.222 -0.886 1.00 1.57 H new ATOM 0 HG3 GLN A 6 -17.430 0.481 -1.172 1.00 1.57 H new ATOM 0 HE21 GLN A 6 -15.760 0.619 -2.742 1.00 1.48 H new ATOM 0 HE22 GLN A 6 -14.057 0.623 -2.272 1.00 1.48 H new ATOM 106 N LEU A 7 -16.297 2.100 3.585 1.00 0.61 N ATOM 107 CA LEU A 7 -15.385 2.244 4.720 1.00 0.62 C ATOM 108 C LEU A 7 -15.106 0.909 5.405 1.00 0.65 C ATOM 109 O LEU A 7 -15.973 0.335 6.063 1.00 0.72 O ATOM 110 CB LEU A 7 -15.942 3.246 5.735 1.00 0.67 C ATOM 111 CG LEU A 7 -14.931 4.282 6.237 1.00 0.84 C ATOM 112 CD1 LEU A 7 -15.602 5.286 7.162 1.00 1.39 C ATOM 113 CD2 LEU A 7 -13.774 3.599 6.952 1.00 1.14 C ATOM 0 H LEU A 7 -17.220 2.508 3.730 1.00 0.61 H new ATOM 0 HA LEU A 7 -14.440 2.618 4.325 1.00 0.62 H new ATOM 0 HB2 LEU A 7 -16.784 3.770 5.282 1.00 0.67 H new ATOM 0 HB3 LEU A 7 -16.332 2.696 6.591 1.00 0.67 H new ATOM 0 HG LEU A 7 -14.538 4.818 5.373 1.00 0.84 H new ATOM 0 HD11 LEU A 7 -14.866 6.012 7.506 1.00 1.39 H new ATOM 0 HD12 LEU A 7 -16.396 5.803 6.623 1.00 1.39 H new ATOM 0 HD13 LEU A 7 -16.025 4.764 8.020 1.00 1.39 H new ATOM 0 HD21 LEU A 7 -13.067 4.351 7.301 1.00 1.14 H new ATOM 0 HD22 LEU A 7 -14.154 3.036 7.804 1.00 1.14 H new ATOM 0 HD23 LEU A 7 -13.271 2.920 6.264 1.00 1.14 H new ATOM 125 N GLU A 8 -13.870 0.443 5.257 1.00 0.63 N ATOM 126 CA GLU A 8 -13.423 -0.804 5.867 1.00 0.66 C ATOM 127 C GLU A 8 -12.245 -0.522 6.800 1.00 0.77 C ATOM 128 O GLU A 8 -12.432 -0.300 7.996 1.00 1.39 O ATOM 129 CB GLU A 8 -13.025 -1.812 4.788 1.00 0.71 C ATOM 130 CG GLU A 8 -12.700 -3.181 5.361 1.00 1.04 C ATOM 131 CD GLU A 8 -13.861 -3.773 6.141 1.00 2.09 C ATOM 132 OE1 GLU A 8 -15.021 -3.446 5.818 1.00 2.54 O ATOM 133 OE2 GLU A 8 -13.609 -4.565 7.073 1.00 2.77 O ATOM 0 H GLU A 8 -13.151 0.919 4.712 1.00 0.63 H new ATOM 0 HA GLU A 8 -14.240 -1.233 6.447 1.00 0.66 H new ATOM 0 HB2 GLU A 8 -13.837 -1.907 4.067 1.00 0.71 H new ATOM 0 HB3 GLU A 8 -12.159 -1.434 4.245 1.00 0.71 H new ATOM 0 HG2 GLU A 8 -12.429 -3.856 4.550 1.00 1.04 H new ATOM 0 HG3 GLU A 8 -11.830 -3.102 6.013 1.00 1.04 H new ATOM 140 N LYS A 9 -11.036 -0.495 6.237 1.00 0.59 N ATOM 141 CA LYS A 9 -9.820 -0.204 7.001 1.00 0.58 C ATOM 142 C LYS A 9 -9.615 -1.171 8.168 1.00 0.56 C ATOM 143 O LYS A 9 -8.676 -1.015 8.949 1.00 0.81 O ATOM 144 CB LYS A 9 -9.858 1.238 7.522 1.00 0.73 C ATOM 145 CG LYS A 9 -10.654 2.188 6.641 1.00 0.87 C ATOM 146 CD LYS A 9 -10.054 2.303 5.252 1.00 1.08 C ATOM 147 CE LYS A 9 -11.105 2.069 4.182 1.00 0.77 C ATOM 148 NZ LYS A 9 -10.770 0.908 3.313 1.00 1.54 N ATOM 0 H LYS A 9 -10.872 -0.673 5.246 1.00 0.59 H new ATOM 0 HA LYS A 9 -8.978 -0.332 6.321 1.00 0.58 H new ATOM 0 HB2 LYS A 9 -10.287 1.241 8.524 1.00 0.73 H new ATOM 0 HB3 LYS A 9 -8.837 1.609 7.611 1.00 0.73 H new ATOM 0 HG2 LYS A 9 -11.683 1.837 6.565 1.00 0.87 H new ATOM 0 HG3 LYS A 9 -10.687 3.173 7.106 1.00 0.87 H new ATOM 0 HD2 LYS A 9 -9.613 3.292 5.123 1.00 1.08 H new ATOM 0 HD3 LYS A 9 -9.248 1.578 5.139 1.00 1.08 H new ATOM 0 HE2 LYS A 9 -12.072 1.900 4.655 1.00 0.77 H new ATOM 0 HE3 LYS A 9 -11.203 2.964 3.568 1.00 0.77 H new ATOM 0 HZ1 LYS A 9 -11.645 0.498 2.929 1.00 1.54 H new ATOM 0 HZ2 LYS A 9 -10.163 1.224 2.530 1.00 1.54 H new ATOM 0 HZ3 LYS A 9 -10.267 0.189 3.872 1.00 1.54 H new ATOM 162 N GLU A 10 -10.488 -2.162 8.289 1.00 0.60 N ATOM 163 CA GLU A 10 -10.389 -3.141 9.367 1.00 0.56 C ATOM 164 C GLU A 10 -10.696 -4.543 8.843 1.00 0.84 C ATOM 165 O GLU A 10 -11.158 -4.695 7.713 1.00 1.40 O ATOM 166 CB GLU A 10 -11.358 -2.773 10.487 1.00 0.88 C ATOM 167 CG GLU A 10 -12.767 -2.548 9.989 1.00 1.68 C ATOM 168 CD GLU A 10 -13.659 -1.886 11.020 1.00 2.35 C ATOM 169 OE1 GLU A 10 -14.185 -2.601 11.898 1.00 2.78 O ATOM 170 OE2 GLU A 10 -13.832 -0.651 10.949 1.00 2.80 O ATOM 0 H GLU A 10 -11.273 -2.311 7.655 1.00 0.60 H new ATOM 0 HA GLU A 10 -9.372 -3.135 9.758 1.00 0.56 H new ATOM 0 HB2 GLU A 10 -11.363 -3.568 11.233 1.00 0.88 H new ATOM 0 HB3 GLU A 10 -11.005 -1.870 10.985 1.00 0.88 H new ATOM 0 HG2 GLU A 10 -12.735 -1.929 9.092 1.00 1.68 H new ATOM 0 HG3 GLU A 10 -13.202 -3.505 9.701 1.00 1.68 H new ATOM 177 N PRO A 11 -10.442 -5.592 9.653 1.00 1.07 N ATOM 178 CA PRO A 11 -10.694 -6.981 9.265 1.00 1.42 C ATOM 179 C PRO A 11 -12.030 -7.161 8.560 1.00 0.83 C ATOM 180 O PRO A 11 -13.084 -7.176 9.197 1.00 0.59 O ATOM 181 CB PRO A 11 -10.710 -7.737 10.602 1.00 2.13 C ATOM 182 CG PRO A 11 -10.575 -6.688 11.661 1.00 2.29 C ATOM 183 CD PRO A 11 -9.890 -5.529 11.007 1.00 1.67 C ATOM 0 HA PRO A 11 -9.942 -7.336 8.560 1.00 1.42 H new ATOM 0 HB2 PRO A 11 -11.636 -8.299 10.723 1.00 2.13 H new ATOM 0 HB3 PRO A 11 -9.892 -8.455 10.656 1.00 2.13 H new ATOM 0 HG2 PRO A 11 -11.551 -6.397 12.048 1.00 2.29 H new ATOM 0 HG3 PRO A 11 -9.994 -7.059 12.506 1.00 2.29 H new ATOM 0 HD2 PRO A 11 -10.120 -4.585 11.500 1.00 1.67 H new ATOM 0 HD3 PRO A 11 -8.805 -5.636 11.013 1.00 1.67 H new ATOM 191 N ILE A 12 -11.978 -7.313 7.245 1.00 0.86 N ATOM 192 CA ILE A 12 -13.182 -7.511 6.457 1.00 0.54 C ATOM 193 C ILE A 12 -13.843 -8.835 6.829 1.00 0.79 C ATOM 194 O ILE A 12 -13.156 -9.821 7.096 1.00 1.12 O ATOM 195 CB ILE A 12 -12.860 -7.515 4.953 1.00 0.51 C ATOM 196 CG1 ILE A 12 -12.089 -6.252 4.584 1.00 0.66 C ATOM 197 CG2 ILE A 12 -14.136 -7.631 4.131 1.00 0.49 C ATOM 198 CD1 ILE A 12 -11.094 -6.450 3.463 1.00 0.53 C ATOM 0 H ILE A 12 -11.114 -7.303 6.703 1.00 0.86 H new ATOM 0 HA ILE A 12 -13.862 -6.686 6.672 1.00 0.54 H new ATOM 0 HB ILE A 12 -12.238 -8.381 4.728 1.00 0.51 H new ATOM 0 HG12 ILE A 12 -12.798 -5.476 4.295 1.00 0.66 H new ATOM 0 HG13 ILE A 12 -11.561 -5.889 5.466 1.00 0.66 H new ATOM 0 HG21 ILE A 12 -13.886 -7.632 3.070 1.00 0.49 H new ATOM 0 HG22 ILE A 12 -14.649 -8.559 4.384 1.00 0.49 H new ATOM 0 HG23 ILE A 12 -14.788 -6.785 4.350 1.00 0.49 H new ATOM 0 HD11 ILE A 12 -10.585 -5.508 3.258 1.00 0.53 H new ATOM 0 HD12 ILE A 12 -10.361 -7.202 3.755 1.00 0.53 H new ATOM 0 HD13 ILE A 12 -11.617 -6.783 2.567 1.00 0.53 H new ATOM 210 N VAL A 13 -15.173 -8.850 6.852 1.00 1.03 N ATOM 211 CA VAL A 13 -15.927 -10.055 7.196 1.00 1.51 C ATOM 212 C VAL A 13 -15.327 -11.300 6.542 1.00 1.29 C ATOM 213 O VAL A 13 -15.186 -12.341 7.182 1.00 1.43 O ATOM 214 CB VAL A 13 -17.405 -9.939 6.773 1.00 2.06 C ATOM 215 CG1 VAL A 13 -18.223 -11.070 7.376 1.00 2.23 C ATOM 216 CG2 VAL A 13 -17.975 -8.587 7.176 1.00 3.06 C ATOM 0 H VAL A 13 -15.753 -8.040 6.636 1.00 1.03 H new ATOM 0 HA VAL A 13 -15.868 -10.153 8.280 1.00 1.51 H new ATOM 0 HB VAL A 13 -17.458 -10.020 5.687 1.00 2.06 H new ATOM 0 HG11 VAL A 13 -19.263 -10.972 7.067 1.00 2.23 H new ATOM 0 HG12 VAL A 13 -17.831 -12.027 7.031 1.00 2.23 H new ATOM 0 HG13 VAL A 13 -18.162 -11.024 8.463 1.00 2.23 H new ATOM 0 HG21 VAL A 13 -19.019 -8.526 6.868 1.00 3.06 H new ATOM 0 HG22 VAL A 13 -17.908 -8.472 8.258 1.00 3.06 H new ATOM 0 HG23 VAL A 13 -17.407 -7.793 6.691 1.00 3.06 H new ATOM 226 N GLY A 14 -14.974 -11.182 5.265 1.00 0.97 N ATOM 227 CA GLY A 14 -14.392 -12.304 4.546 1.00 0.77 C ATOM 228 C GLY A 14 -13.914 -11.916 3.160 1.00 0.71 C ATOM 229 O GLY A 14 -14.573 -12.214 2.163 1.00 1.03 O ATOM 0 H GLY A 14 -15.080 -10.330 4.715 1.00 0.97 H new ATOM 0 HA2 GLY A 14 -13.554 -12.704 5.118 1.00 0.77 H new ATOM 0 HA3 GLY A 14 -15.130 -13.101 4.463 1.00 0.77 H new ATOM 233 N ALA A 15 -12.773 -11.236 3.100 1.00 0.38 N ATOM 234 CA ALA A 15 -12.211 -10.789 1.831 1.00 0.34 C ATOM 235 C ALA A 15 -10.853 -11.427 1.548 1.00 0.32 C ATOM 236 O ALA A 15 -10.172 -11.901 2.457 1.00 0.36 O ATOM 237 CB ALA A 15 -12.077 -9.278 1.843 1.00 0.39 C ATOM 0 H ALA A 15 -12.219 -10.982 3.918 1.00 0.38 H new ATOM 0 HA ALA A 15 -12.890 -11.100 1.037 1.00 0.34 H new ATOM 0 HB1 ALA A 15 -11.657 -8.942 0.895 1.00 0.39 H new ATOM 0 HB2 ALA A 15 -13.059 -8.827 1.985 1.00 0.39 H new ATOM 0 HB3 ALA A 15 -11.419 -8.978 2.658 1.00 0.39 H new ATOM 243 N GLU A 16 -10.464 -11.412 0.275 1.00 0.33 N ATOM 244 CA GLU A 16 -9.180 -11.961 -0.159 1.00 0.39 C ATOM 245 C GLU A 16 -8.033 -11.199 0.497 1.00 0.31 C ATOM 246 O GLU A 16 -8.157 -10.016 0.765 1.00 0.33 O ATOM 247 CB GLU A 16 -9.055 -11.889 -1.680 1.00 0.56 C ATOM 248 CG GLU A 16 -8.284 -13.053 -2.275 1.00 0.84 C ATOM 249 CD GLU A 16 -9.172 -14.241 -2.588 1.00 1.22 C ATOM 250 OE1 GLU A 16 -10.096 -14.090 -3.415 1.00 1.43 O ATOM 251 OE2 GLU A 16 -8.943 -15.323 -2.006 1.00 2.01 O ATOM 0 H GLU A 16 -11.026 -11.021 -0.481 1.00 0.33 H new ATOM 0 HA GLU A 16 -9.130 -13.006 0.146 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -10.052 -11.861 -2.119 1.00 0.56 H new ATOM 0 HB3 GLU A 16 -8.560 -10.957 -1.953 1.00 0.56 H new ATOM 0 HG2 GLU A 16 -7.786 -12.726 -3.188 1.00 0.84 H new ATOM 0 HG3 GLU A 16 -7.504 -13.361 -1.579 1.00 0.84 H new ATOM 258 N THR A 17 -6.924 -11.882 0.761 1.00 0.37 N ATOM 259 CA THR A 17 -5.771 -11.247 1.393 1.00 0.32 C ATOM 260 C THR A 17 -4.728 -10.838 0.360 1.00 0.26 C ATOM 261 O THR A 17 -4.347 -11.618 -0.522 1.00 0.29 O ATOM 262 CB THR A 17 -5.109 -12.148 2.456 1.00 0.41 C ATOM 263 OG1 THR A 17 -4.084 -12.950 1.856 1.00 0.54 O ATOM 264 CG2 THR A 17 -6.137 -13.050 3.126 1.00 0.51 C ATOM 0 H THR A 17 -6.798 -12.872 0.548 1.00 0.37 H new ATOM 0 HA THR A 17 -6.155 -10.358 1.893 1.00 0.32 H new ATOM 0 HB THR A 17 -4.667 -11.503 3.215 1.00 0.41 H new ATOM 0 HG1 THR A 17 -3.670 -13.517 2.540 1.00 0.54 H new ATOM 0 HG21 THR A 17 -5.643 -13.674 3.871 1.00 0.51 H new ATOM 0 HG22 THR A 17 -6.897 -12.438 3.612 1.00 0.51 H new ATOM 0 HG23 THR A 17 -6.608 -13.685 2.376 1.00 0.51 H new ATOM 272 N PHE A 18 -4.289 -9.594 0.478 1.00 0.27 N ATOM 273 CA PHE A 18 -3.306 -9.029 -0.431 1.00 0.25 C ATOM 274 C PHE A 18 -2.186 -8.337 0.350 1.00 0.29 C ATOM 275 O PHE A 18 -2.391 -7.888 1.477 1.00 0.59 O ATOM 276 CB PHE A 18 -3.988 -8.025 -1.357 1.00 0.32 C ATOM 277 CG PHE A 18 -4.715 -8.631 -2.528 1.00 0.24 C ATOM 278 CD1 PHE A 18 -5.646 -9.637 -2.326 1.00 0.24 C ATOM 279 CD2 PHE A 18 -4.465 -8.210 -3.824 1.00 0.38 C ATOM 280 CE1 PHE A 18 -6.312 -10.209 -3.392 1.00 0.35 C ATOM 281 CE2 PHE A 18 -5.129 -8.776 -4.894 1.00 0.46 C ATOM 282 CZ PHE A 18 -6.064 -9.721 -4.702 1.00 0.41 C ATOM 0 H PHE A 18 -4.603 -8.950 1.204 1.00 0.27 H new ATOM 0 HA PHE A 18 -2.869 -9.834 -1.022 1.00 0.25 H new ATOM 0 HB2 PHE A 18 -4.697 -7.438 -0.773 1.00 0.32 H new ATOM 0 HB3 PHE A 18 -3.236 -7.333 -1.735 1.00 0.32 H new ATOM 0 HD1 PHE A 18 -5.853 -9.978 -1.322 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -3.741 -7.428 -4.000 1.00 0.38 H new ATOM 0 HE1 PHE A 18 -7.012 -11.016 -3.231 1.00 0.35 H new ATOM 0 HE2 PHE A 18 -4.894 -8.455 -5.898 1.00 0.46 H new ATOM 0 HZ PHE A 18 -6.625 -10.108 -5.540 1.00 0.41 H new ATOM 292 N TYR A 19 -1.003 -8.258 -0.251 1.00 0.25 N ATOM 293 CA TYR A 19 0.142 -7.625 0.401 1.00 0.28 C ATOM 294 C TYR A 19 0.627 -6.420 -0.385 1.00 0.22 C ATOM 295 O TYR A 19 0.435 -6.337 -1.599 1.00 0.22 O ATOM 296 CB TYR A 19 1.282 -8.643 0.584 1.00 0.41 C ATOM 297 CG TYR A 19 2.697 -8.098 0.397 1.00 1.21 C ATOM 298 CD1 TYR A 19 3.082 -7.569 -0.826 1.00 1.64 C ATOM 299 CD2 TYR A 19 3.636 -8.085 1.436 1.00 1.92 C ATOM 300 CE1 TYR A 19 4.345 -7.044 -1.019 1.00 2.74 C ATOM 301 CE2 TYR A 19 4.902 -7.567 1.245 1.00 3.01 C ATOM 302 CZ TYR A 19 5.305 -7.163 0.092 1.00 3.40 C ATOM 303 OH TYR A 19 6.508 -6.524 -0.170 1.00 4.52 O ATOM 0 H TYR A 19 -0.811 -8.622 -1.184 1.00 0.25 H new ATOM 0 HA TYR A 19 -0.179 -7.276 1.382 1.00 0.28 H new ATOM 0 HB2 TYR A 19 1.206 -9.069 1.585 1.00 0.41 H new ATOM 0 HB3 TYR A 19 1.131 -9.460 -0.122 1.00 0.41 H new ATOM 0 HD1 TYR A 19 2.379 -7.568 -1.646 1.00 1.64 H new ATOM 0 HD2 TYR A 19 3.366 -8.486 2.402 1.00 1.92 H new ATOM 0 HE1 TYR A 19 4.618 -6.565 -1.948 1.00 2.74 H new ATOM 0 HE2 TYR A 19 5.573 -7.499 2.088 1.00 3.01 H new ATOM 0 HH TYR A 19 6.346 -5.742 -0.738 1.00 4.52 H new ATOM 313 N VAL A 20 1.291 -5.504 0.319 1.00 0.22 N ATOM 314 CA VAL A 20 1.840 -4.311 -0.299 1.00 0.22 C ATOM 315 C VAL A 20 3.024 -3.776 0.490 1.00 0.23 C ATOM 316 O VAL A 20 2.914 -3.508 1.687 1.00 0.26 O ATOM 317 CB VAL A 20 0.785 -3.207 -0.421 1.00 0.32 C ATOM 318 CG1 VAL A 20 0.404 -3.021 -1.868 1.00 0.87 C ATOM 319 CG2 VAL A 20 -0.436 -3.527 0.425 1.00 0.93 C ATOM 0 H VAL A 20 1.459 -5.572 1.323 1.00 0.22 H new ATOM 0 HA VAL A 20 2.172 -4.600 -1.296 1.00 0.22 H new ATOM 0 HB VAL A 20 1.209 -2.275 -0.048 1.00 0.32 H new ATOM 0 HG11 VAL A 20 -0.347 -2.235 -1.948 1.00 0.87 H new ATOM 0 HG12 VAL A 20 1.286 -2.741 -2.443 1.00 0.87 H new ATOM 0 HG13 VAL A 20 -0.004 -3.953 -2.260 1.00 0.87 H new ATOM 0 HG21 VAL A 20 -1.170 -2.728 0.321 1.00 0.93 H new ATOM 0 HG22 VAL A 20 -0.874 -4.468 0.091 1.00 0.93 H new ATOM 0 HG23 VAL A 20 -0.141 -3.615 1.471 1.00 0.93 H new ATOM 329 N ASP A 21 4.157 -3.616 -0.186 1.00 0.22 N ATOM 330 CA ASP A 21 5.361 -3.106 0.455 1.00 0.25 C ATOM 331 C ASP A 21 6.455 -2.823 -0.574 1.00 0.23 C ATOM 332 O ASP A 21 6.730 -3.645 -1.452 1.00 0.25 O ATOM 333 CB ASP A 21 5.870 -4.097 1.507 1.00 0.28 C ATOM 334 CG ASP A 21 7.294 -3.801 1.940 1.00 0.30 C ATOM 335 OD1 ASP A 21 7.495 -2.822 2.690 1.00 0.37 O ATOM 336 OD2 ASP A 21 8.207 -4.548 1.529 1.00 0.38 O ATOM 0 H ASP A 21 4.265 -3.832 -1.177 1.00 0.22 H new ATOM 0 HA ASP A 21 5.105 -2.168 0.948 1.00 0.25 H new ATOM 0 HB2 ASP A 21 5.215 -4.067 2.378 1.00 0.28 H new ATOM 0 HB3 ASP A 21 5.819 -5.109 1.104 1.00 0.28 H new ATOM 341 N GLY A 22 7.077 -1.654 -0.457 1.00 0.22 N ATOM 342 CA GLY A 22 8.136 -1.277 -1.371 1.00 0.24 C ATOM 343 C GLY A 22 9.261 -0.537 -0.673 1.00 0.35 C ATOM 344 O GLY A 22 9.029 0.174 0.305 1.00 0.42 O ATOM 0 H GLY A 22 6.864 -0.959 0.259 1.00 0.22 H new ATOM 0 HA2 GLY A 22 8.535 -2.171 -1.851 1.00 0.24 H new ATOM 0 HA3 GLY A 22 7.725 -0.648 -2.161 1.00 0.24 H new ATOM 348 N ALA A 23 10.482 -0.704 -1.173 1.00 0.39 N ATOM 349 CA ALA A 23 11.642 -0.045 -0.586 1.00 0.49 C ATOM 350 C ALA A 23 12.257 0.948 -1.557 1.00 0.50 C ATOM 351 O ALA A 23 12.789 0.572 -2.599 1.00 0.49 O ATOM 352 CB ALA A 23 12.675 -1.075 -0.159 1.00 0.57 C ATOM 0 H ALA A 23 10.692 -1.289 -1.982 1.00 0.39 H new ATOM 0 HA ALA A 23 11.308 0.505 0.294 1.00 0.49 H new ATOM 0 HB1 ALA A 23 13.536 -0.568 0.277 1.00 0.57 H new ATOM 0 HB2 ALA A 23 12.236 -1.746 0.579 1.00 0.57 H new ATOM 0 HB3 ALA A 23 12.995 -1.651 -1.027 1.00 0.57 H new ATOM 358 N ALA A 24 12.184 2.216 -1.189 1.00 0.53 N ATOM 359 CA ALA A 24 12.729 3.291 -1.991 1.00 0.55 C ATOM 360 C ALA A 24 13.474 4.267 -1.099 1.00 0.64 C ATOM 361 O ALA A 24 12.923 4.756 -0.113 1.00 0.80 O ATOM 362 CB ALA A 24 11.616 4.004 -2.740 1.00 0.49 C ATOM 0 H ALA A 24 11.743 2.527 -0.323 1.00 0.53 H new ATOM 0 HA ALA A 24 13.424 2.875 -2.720 1.00 0.55 H new ATOM 0 HB1 ALA A 24 12.039 4.810 -3.339 1.00 0.49 H new ATOM 0 HB2 ALA A 24 11.105 3.296 -3.393 1.00 0.49 H new ATOM 0 HB3 ALA A 24 10.904 4.418 -2.026 1.00 0.49 H new ATOM 368 N ASN A 25 14.726 4.541 -1.438 1.00 0.61 N ATOM 369 CA ASN A 25 15.537 5.454 -0.650 1.00 0.69 C ATOM 370 C ASN A 25 14.787 6.761 -0.405 1.00 0.69 C ATOM 371 O ASN A 25 14.715 7.623 -1.281 1.00 0.69 O ATOM 372 CB ASN A 25 16.862 5.733 -1.359 1.00 0.77 C ATOM 373 CG ASN A 25 17.984 6.052 -0.390 1.00 0.68 C ATOM 374 OD1 ASN A 25 19.073 5.484 -0.474 1.00 0.67 O ATOM 375 ND2 ASN A 25 17.722 6.965 0.537 1.00 1.09 N ATOM 0 H ASN A 25 15.199 4.145 -2.250 1.00 0.61 H new ATOM 0 HA ASN A 25 15.745 4.987 0.313 1.00 0.69 H new ATOM 0 HB2 ASN A 25 17.139 4.866 -1.958 1.00 0.77 H new ATOM 0 HB3 ASN A 25 16.733 6.568 -2.048 1.00 0.77 H new ATOM 0 HD21 ASN A 25 18.438 7.221 1.217 1.00 1.09 H new ATOM 0 HD22 ASN A 25 16.805 7.410 0.569 1.00 1.09 H new ATOM 382 N ARG A 26 14.218 6.890 0.791 1.00 0.73 N ATOM 383 CA ARG A 26 13.455 8.077 1.167 1.00 0.77 C ATOM 384 C ARG A 26 14.283 9.346 1.032 1.00 0.82 C ATOM 385 O ARG A 26 13.788 10.379 0.578 1.00 0.79 O ATOM 386 CB ARG A 26 12.981 7.958 2.608 1.00 0.87 C ATOM 387 CG ARG A 26 12.117 9.127 3.043 1.00 0.94 C ATOM 388 CD ARG A 26 11.462 8.872 4.390 1.00 1.30 C ATOM 389 NE ARG A 26 11.287 10.104 5.156 1.00 1.57 N ATOM 390 CZ ARG A 26 12.264 10.692 5.840 1.00 2.15 C ATOM 391 NH1 ARG A 26 13.479 10.162 5.859 1.00 2.86 N ATOM 392 NH2 ARG A 26 12.026 11.813 6.509 1.00 2.52 N ATOM 0 H ARG A 26 14.272 6.180 1.522 1.00 0.73 H new ATOM 0 HA ARG A 26 12.603 8.141 0.490 1.00 0.77 H new ATOM 0 HB2 ARG A 26 12.417 7.033 2.725 1.00 0.87 H new ATOM 0 HB3 ARG A 26 13.847 7.888 3.266 1.00 0.87 H new ATOM 0 HG2 ARG A 26 12.727 10.029 3.100 1.00 0.94 H new ATOM 0 HG3 ARG A 26 11.347 9.309 2.293 1.00 0.94 H new ATOM 0 HD2 ARG A 26 10.492 8.399 4.238 1.00 1.30 H new ATOM 0 HD3 ARG A 26 12.071 8.173 4.963 1.00 1.30 H new ATOM 0 HE ARG A 26 10.364 10.537 5.167 1.00 1.57 H new ATOM 0 HH11 ARG A 26 13.667 9.300 5.348 1.00 2.86 H new ATOM 0 HH12 ARG A 26 14.225 10.616 6.385 1.00 2.86 H new ATOM 0 HH21 ARG A 26 11.093 12.225 6.499 1.00 2.52 H new ATOM 0 HH22 ARG A 26 12.776 12.263 7.033 1.00 2.52 H new ATOM 406 N GLU A 27 15.538 9.259 1.446 1.00 0.93 N ATOM 407 CA GLU A 27 16.457 10.387 1.395 1.00 1.02 C ATOM 408 C GLU A 27 16.423 11.055 0.029 1.00 0.90 C ATOM 409 O GLU A 27 16.770 12.228 -0.115 1.00 0.94 O ATOM 410 CB GLU A 27 17.868 9.892 1.701 1.00 1.15 C ATOM 411 CG GLU A 27 18.967 10.889 1.367 1.00 1.36 C ATOM 412 CD GLU A 27 20.182 10.229 0.744 1.00 1.99 C ATOM 413 OE1 GLU A 27 20.756 9.321 1.381 1.00 2.44 O ATOM 414 OE2 GLU A 27 20.557 10.621 -0.380 1.00 2.44 O ATOM 0 H GLU A 27 15.948 8.406 1.826 1.00 0.93 H new ATOM 0 HA GLU A 27 16.154 11.126 2.137 1.00 1.02 H new ATOM 0 HB2 GLU A 27 17.931 9.641 2.760 1.00 1.15 H new ATOM 0 HB3 GLU A 27 18.047 8.972 1.144 1.00 1.15 H new ATOM 0 HG2 GLU A 27 18.575 11.641 0.682 1.00 1.36 H new ATOM 0 HG3 GLU A 27 19.267 11.411 2.275 1.00 1.36 H new ATOM 421 N THR A 28 16.012 10.294 -0.973 1.00 0.79 N ATOM 422 CA THR A 28 15.943 10.793 -2.331 1.00 0.69 C ATOM 423 C THR A 28 14.585 10.502 -2.968 1.00 0.56 C ATOM 424 O THR A 28 14.368 10.795 -4.145 1.00 0.49 O ATOM 425 CB THR A 28 17.057 10.162 -3.181 1.00 0.75 C ATOM 426 OG1 THR A 28 18.246 10.016 -2.395 1.00 1.41 O ATOM 427 CG2 THR A 28 17.357 11.011 -4.401 1.00 1.35 C ATOM 0 H THR A 28 15.720 9.322 -0.867 1.00 0.79 H new ATOM 0 HA THR A 28 16.076 11.874 -2.294 1.00 0.69 H new ATOM 0 HB THR A 28 16.716 9.183 -3.516 1.00 0.75 H new ATOM 0 HG1 THR A 28 18.952 9.612 -2.942 1.00 1.41 H new ATOM 0 HG21 THR A 28 18.149 10.542 -4.985 1.00 1.35 H new ATOM 0 HG22 THR A 28 16.459 11.100 -5.012 1.00 1.35 H new ATOM 0 HG23 THR A 28 17.679 12.003 -4.084 1.00 1.35 H new ATOM 435 N LYS A 29 13.676 9.923 -2.184 1.00 0.54 N ATOM 436 CA LYS A 29 12.338 9.585 -2.669 1.00 0.46 C ATOM 437 C LYS A 29 12.425 8.848 -4.000 1.00 0.37 C ATOM 438 O LYS A 29 11.993 9.356 -5.035 1.00 0.44 O ATOM 439 CB LYS A 29 11.481 10.844 -2.823 1.00 0.51 C ATOM 440 CG LYS A 29 11.730 11.892 -1.748 1.00 0.67 C ATOM 441 CD LYS A 29 11.058 11.519 -0.436 1.00 1.02 C ATOM 442 CE LYS A 29 10.302 12.696 0.156 1.00 1.39 C ATOM 443 NZ LYS A 29 11.223 13.776 0.609 1.00 1.56 N ATOM 0 H LYS A 29 13.842 9.678 -1.208 1.00 0.54 H new ATOM 0 HA LYS A 29 11.867 8.933 -1.934 1.00 0.46 H new ATOM 0 HB2 LYS A 29 11.674 11.286 -3.800 1.00 0.51 H new ATOM 0 HB3 LYS A 29 10.429 10.560 -2.804 1.00 0.51 H new ATOM 0 HG2 LYS A 29 12.803 12.003 -1.589 1.00 0.67 H new ATOM 0 HG3 LYS A 29 11.356 12.858 -2.087 1.00 0.67 H new ATOM 0 HD2 LYS A 29 10.371 10.689 -0.601 1.00 1.02 H new ATOM 0 HD3 LYS A 29 11.810 11.174 0.274 1.00 1.02 H new ATOM 0 HE2 LYS A 29 9.612 13.095 -0.587 1.00 1.39 H new ATOM 0 HE3 LYS A 29 9.700 12.355 0.998 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 10.669 14.561 1.007 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 11.865 13.402 1.337 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 11.779 14.120 -0.200 1.00 1.56 H new ATOM 457 N LEU A 30 12.998 7.652 -3.962 1.00 0.43 N ATOM 458 CA LEU A 30 13.159 6.841 -5.165 1.00 0.37 C ATOM 459 C LEU A 30 13.567 5.420 -4.810 1.00 0.38 C ATOM 460 O LEU A 30 14.292 5.197 -3.844 1.00 0.44 O ATOM 461 CB LEU A 30 14.210 7.472 -6.089 1.00 0.42 C ATOM 462 CG LEU A 30 14.817 6.533 -7.137 1.00 0.48 C ATOM 463 CD1 LEU A 30 15.271 7.321 -8.356 1.00 0.52 C ATOM 464 CD2 LEU A 30 15.981 5.748 -6.543 1.00 0.68 C ATOM 0 H LEU A 30 13.360 7.221 -3.111 1.00 0.43 H new ATOM 0 HA LEU A 30 12.201 6.805 -5.683 1.00 0.37 H new ATOM 0 HB2 LEU A 30 13.754 8.317 -6.605 1.00 0.42 H new ATOM 0 HB3 LEU A 30 15.016 7.871 -5.474 1.00 0.42 H new ATOM 0 HG LEU A 30 14.050 5.824 -7.450 1.00 0.48 H new ATOM 0 HD11 LEU A 30 15.700 6.640 -9.091 1.00 0.52 H new ATOM 0 HD12 LEU A 30 14.417 7.837 -8.795 1.00 0.52 H new ATOM 0 HD13 LEU A 30 16.022 8.052 -8.058 1.00 0.52 H new ATOM 0 HD21 LEU A 30 16.399 5.087 -7.302 1.00 0.68 H new ATOM 0 HD22 LEU A 30 16.750 6.441 -6.202 1.00 0.68 H new ATOM 0 HD23 LEU A 30 15.627 5.155 -5.700 1.00 0.68 H new ATOM 476 N GLY A 31 13.112 4.463 -5.610 1.00 0.34 N ATOM 477 CA GLY A 31 13.454 3.076 -5.372 1.00 0.37 C ATOM 478 C GLY A 31 12.464 2.115 -5.990 1.00 0.30 C ATOM 479 O GLY A 31 11.996 2.330 -7.108 1.00 0.27 O ATOM 0 H GLY A 31 12.512 4.624 -6.419 1.00 0.34 H new ATOM 0 HA2 GLY A 31 14.447 2.877 -5.775 1.00 0.37 H new ATOM 0 HA3 GLY A 31 13.504 2.898 -4.298 1.00 0.37 H new ATOM 483 N LYS A 32 12.155 1.047 -5.264 1.00 0.30 N ATOM 484 CA LYS A 32 11.229 0.033 -5.748 1.00 0.24 C ATOM 485 C LYS A 32 10.005 -0.092 -4.848 1.00 0.19 C ATOM 486 O LYS A 32 10.028 0.301 -3.682 1.00 0.23 O ATOM 487 CB LYS A 32 11.938 -1.315 -5.834 1.00 0.28 C ATOM 488 CG LYS A 32 13.282 -1.242 -6.541 1.00 0.56 C ATOM 489 CD LYS A 32 14.416 -1.725 -5.651 1.00 0.95 C ATOM 490 CE LYS A 32 15.475 -2.463 -6.454 1.00 1.44 C ATOM 491 NZ LYS A 32 16.214 -1.551 -7.370 1.00 2.12 N ATOM 0 H LYS A 32 12.534 0.862 -4.335 1.00 0.30 H new ATOM 0 HA LYS A 32 10.889 0.340 -6.737 1.00 0.24 H new ATOM 0 HB2 LYS A 32 12.085 -1.705 -4.827 1.00 0.28 H new ATOM 0 HB3 LYS A 32 11.297 -2.023 -6.359 1.00 0.28 H new ATOM 0 HG2 LYS A 32 13.249 -1.846 -7.448 1.00 0.56 H new ATOM 0 HG3 LYS A 32 13.475 -0.215 -6.850 1.00 0.56 H new ATOM 0 HD2 LYS A 32 14.870 -0.874 -5.143 1.00 0.95 H new ATOM 0 HD3 LYS A 32 14.019 -2.383 -4.878 1.00 0.95 H new ATOM 0 HE2 LYS A 32 16.179 -2.942 -5.773 1.00 1.44 H new ATOM 0 HE3 LYS A 32 15.003 -3.256 -7.034 1.00 1.44 H new ATOM 0 HZ1 LYS A 32 16.927 -2.093 -7.899 1.00 2.12 H new ATOM 0 HZ2 LYS A 32 15.547 -1.113 -8.037 1.00 2.12 H new ATOM 0 HZ3 LYS A 32 16.686 -0.809 -6.815 1.00 2.12 H new ATOM 505 N ALA A 33 8.941 -0.659 -5.408 1.00 0.16 N ATOM 506 CA ALA A 33 7.697 -0.868 -4.679 1.00 0.14 C ATOM 507 C ALA A 33 6.810 -1.854 -5.420 1.00 0.14 C ATOM 508 O ALA A 33 6.411 -1.611 -6.557 1.00 0.15 O ATOM 509 CB ALA A 33 6.965 0.449 -4.474 1.00 0.16 C ATOM 0 H ALA A 33 8.917 -0.985 -6.374 1.00 0.16 H new ATOM 0 HA ALA A 33 7.939 -1.282 -3.700 1.00 0.14 H new ATOM 0 HB1 ALA A 33 6.039 0.269 -3.928 1.00 0.16 H new ATOM 0 HB2 ALA A 33 7.596 1.131 -3.904 1.00 0.16 H new ATOM 0 HB3 ALA A 33 6.734 0.892 -5.443 1.00 0.16 H new ATOM 515 N GLY A 34 6.503 -2.970 -4.776 1.00 0.17 N ATOM 516 CA GLY A 34 5.667 -3.971 -5.406 1.00 0.20 C ATOM 517 C GLY A 34 4.626 -4.518 -4.477 1.00 0.25 C ATOM 518 O GLY A 34 4.293 -3.903 -3.462 1.00 0.35 O ATOM 0 H GLY A 34 6.816 -3.200 -3.833 1.00 0.17 H new ATOM 0 HA2 GLY A 34 5.178 -3.535 -6.278 1.00 0.20 H new ATOM 0 HA3 GLY A 34 6.293 -4.788 -5.766 1.00 0.20 H new ATOM 522 N TYR A 35 4.107 -5.679 -4.825 1.00 0.20 N ATOM 523 CA TYR A 35 3.085 -6.316 -4.013 1.00 0.26 C ATOM 524 C TYR A 35 2.919 -7.778 -4.391 1.00 0.17 C ATOM 525 O TYR A 35 3.399 -8.217 -5.437 1.00 0.17 O ATOM 526 CB TYR A 35 1.754 -5.569 -4.159 1.00 0.40 C ATOM 527 CG TYR A 35 0.759 -6.241 -5.081 1.00 0.38 C ATOM 528 CD1 TYR A 35 0.760 -5.979 -6.442 1.00 0.50 C ATOM 529 CD2 TYR A 35 -0.178 -7.139 -4.586 1.00 0.31 C ATOM 530 CE1 TYR A 35 -0.146 -6.589 -7.286 1.00 0.58 C ATOM 531 CE2 TYR A 35 -1.086 -7.752 -5.424 1.00 0.39 C ATOM 532 CZ TYR A 35 -1.066 -7.475 -6.773 1.00 0.53 C ATOM 533 OH TYR A 35 -1.967 -8.086 -7.611 1.00 0.66 O ATOM 0 H TYR A 35 4.374 -6.200 -5.660 1.00 0.20 H new ATOM 0 HA TYR A 35 3.401 -6.274 -2.971 1.00 0.26 H new ATOM 0 HB2 TYR A 35 1.302 -5.461 -3.173 1.00 0.40 H new ATOM 0 HB3 TYR A 35 1.954 -4.564 -4.530 1.00 0.40 H new ATOM 0 HD1 TYR A 35 1.482 -5.286 -6.849 1.00 0.50 H new ATOM 0 HD2 TYR A 35 -0.196 -7.361 -3.529 1.00 0.31 H new ATOM 0 HE1 TYR A 35 -0.133 -6.372 -8.344 1.00 0.58 H new ATOM 0 HE2 TYR A 35 -1.810 -8.447 -5.024 1.00 0.39 H new ATOM 0 HH TYR A 35 -1.614 -8.088 -8.525 1.00 0.66 H new ATOM 543 N VAL A 36 2.211 -8.516 -3.543 1.00 0.14 N ATOM 544 CA VAL A 36 1.951 -9.924 -3.793 1.00 0.17 C ATOM 545 C VAL A 36 0.543 -10.299 -3.350 1.00 0.22 C ATOM 546 O VAL A 36 0.209 -10.244 -2.166 1.00 0.51 O ATOM 547 CB VAL A 36 2.993 -10.848 -3.115 1.00 0.32 C ATOM 548 CG1 VAL A 36 2.893 -10.789 -1.599 1.00 1.38 C ATOM 549 CG2 VAL A 36 2.831 -12.280 -3.605 1.00 1.13 C ATOM 0 H VAL A 36 1.808 -8.160 -2.676 1.00 0.14 H new ATOM 0 HA VAL A 36 2.038 -10.074 -4.869 1.00 0.17 H new ATOM 0 HB VAL A 36 3.984 -10.490 -3.394 1.00 0.32 H new ATOM 0 HG11 VAL A 36 3.640 -11.450 -1.159 1.00 1.38 H new ATOM 0 HG12 VAL A 36 3.069 -9.767 -1.262 1.00 1.38 H new ATOM 0 HG13 VAL A 36 1.898 -11.107 -1.287 1.00 1.38 H new ATOM 0 HG21 VAL A 36 3.570 -12.917 -3.119 1.00 1.13 H new ATOM 0 HG22 VAL A 36 1.830 -12.636 -3.362 1.00 1.13 H new ATOM 0 HG23 VAL A 36 2.976 -12.314 -4.685 1.00 1.13 H new ATOM 559 N THR A 37 -0.288 -10.665 -4.318 1.00 0.28 N ATOM 560 CA THR A 37 -1.668 -11.038 -4.027 1.00 0.34 C ATOM 561 C THR A 37 -1.790 -12.525 -3.789 1.00 0.26 C ATOM 562 O THR A 37 -0.918 -13.299 -4.198 1.00 0.26 O ATOM 563 CB THR A 37 -2.627 -10.662 -5.165 1.00 0.55 C ATOM 564 OG1 THR A 37 -3.816 -11.456 -5.080 1.00 1.41 O ATOM 565 CG2 THR A 37 -1.985 -10.870 -6.517 1.00 0.88 C ATOM 0 H THR A 37 -0.034 -10.712 -5.305 1.00 0.28 H new ATOM 0 HA THR A 37 -1.943 -10.484 -3.130 1.00 0.34 H new ATOM 0 HB THR A 37 -2.874 -9.606 -5.059 1.00 0.55 H new ATOM 0 HG1 THR A 37 -4.490 -10.981 -4.550 1.00 1.41 H new ATOM 0 HG21 THR A 37 -2.690 -10.595 -7.301 1.00 0.88 H new ATOM 0 HG22 THR A 37 -1.093 -10.248 -6.596 1.00 0.88 H new ATOM 0 HG23 THR A 37 -1.707 -11.918 -6.631 1.00 0.88 H new ATOM 573 N ASN A 38 -2.890 -12.914 -3.140 1.00 0.26 N ATOM 574 CA ASN A 38 -3.149 -14.323 -2.849 1.00 0.26 C ATOM 575 C ASN A 38 -3.121 -15.177 -4.119 1.00 0.31 C ATOM 576 O ASN A 38 -3.193 -16.405 -4.048 1.00 0.40 O ATOM 577 CB ASN A 38 -4.498 -14.477 -2.144 1.00 0.32 C ATOM 578 CG ASN A 38 -5.637 -14.714 -3.117 1.00 0.41 C ATOM 579 OD1 ASN A 38 -6.407 -15.662 -2.970 1.00 0.50 O ATOM 580 ND2 ASN A 38 -5.750 -13.848 -4.118 1.00 0.44 N ATOM 0 H ASN A 38 -3.612 -12.275 -2.808 1.00 0.26 H new ATOM 0 HA ASN A 38 -2.355 -14.676 -2.192 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -4.445 -15.309 -1.442 1.00 0.32 H new ATOM 0 HB3 ASN A 38 -4.704 -13.580 -1.560 1.00 0.32 H new ATOM 0 HD21 ASN A 38 -6.498 -13.955 -4.803 1.00 0.44 H new ATOM 0 HD22 ASN A 38 -5.089 -13.076 -4.201 1.00 0.44 H new ATOM 587 N ARG A 39 -3.005 -14.530 -5.278 1.00 0.32 N ATOM 588 CA ARG A 39 -2.957 -15.242 -6.548 1.00 0.43 C ATOM 589 C ARG A 39 -1.513 -15.481 -6.962 1.00 0.43 C ATOM 590 O ARG A 39 -1.230 -15.833 -8.107 1.00 0.65 O ATOM 591 CB ARG A 39 -3.685 -14.449 -7.636 1.00 0.51 C ATOM 592 CG ARG A 39 -4.948 -13.759 -7.147 1.00 0.55 C ATOM 593 CD ARG A 39 -5.321 -12.586 -8.039 1.00 0.61 C ATOM 594 NE ARG A 39 -6.755 -12.310 -8.006 1.00 1.05 N ATOM 595 CZ ARG A 39 -7.664 -13.051 -8.631 1.00 1.22 C ATOM 596 NH1 ARG A 39 -7.292 -14.108 -9.344 1.00 1.88 N ATOM 597 NH2 ARG A 39 -8.948 -12.736 -8.543 1.00 1.58 N ATOM 0 H ARG A 39 -2.943 -13.515 -5.361 1.00 0.32 H new ATOM 0 HA ARG A 39 -3.456 -16.203 -6.422 1.00 0.43 H new ATOM 0 HB2 ARG A 39 -3.006 -13.699 -8.043 1.00 0.51 H new ATOM 0 HB3 ARG A 39 -3.943 -15.123 -8.453 1.00 0.51 H new ATOM 0 HG2 ARG A 39 -5.769 -14.475 -7.123 1.00 0.55 H new ATOM 0 HG3 ARG A 39 -4.801 -13.409 -6.125 1.00 0.55 H new ATOM 0 HD2 ARG A 39 -4.773 -11.699 -7.720 1.00 0.61 H new ATOM 0 HD3 ARG A 39 -5.016 -12.798 -9.064 1.00 0.61 H new ATOM 0 HE ARG A 39 -7.077 -11.502 -7.473 1.00 1.05 H new ATOM 0 HH11 ARG A 39 -6.305 -14.354 -9.414 1.00 1.88 H new ATOM 0 HH12 ARG A 39 -7.994 -14.673 -9.822 1.00 1.88 H new ATOM 0 HH21 ARG A 39 -9.238 -11.925 -7.996 1.00 1.58 H new ATOM 0 HH22 ARG A 39 -9.646 -13.304 -9.022 1.00 1.58 H new ATOM 611 N GLY A 40 -0.604 -15.279 -6.015 1.00 0.37 N ATOM 612 CA GLY A 40 0.806 -15.466 -6.285 1.00 0.38 C ATOM 613 C GLY A 40 1.331 -14.489 -7.317 1.00 0.33 C ATOM 614 O GLY A 40 2.165 -14.850 -8.147 1.00 0.37 O ATOM 0 H GLY A 40 -0.821 -14.988 -5.062 1.00 0.37 H new ATOM 0 HA2 GLY A 40 1.369 -15.350 -5.359 1.00 0.38 H new ATOM 0 HA3 GLY A 40 0.974 -16.485 -6.634 1.00 0.38 H new ATOM 618 N ARG A 41 0.854 -13.246 -7.266 1.00 0.28 N ATOM 619 CA ARG A 41 1.307 -12.230 -8.221 1.00 0.25 C ATOM 620 C ARG A 41 2.293 -11.281 -7.559 1.00 0.26 C ATOM 621 O ARG A 41 2.202 -11.032 -6.363 1.00 0.54 O ATOM 622 CB ARG A 41 0.119 -11.457 -8.808 1.00 0.29 C ATOM 623 CG ARG A 41 0.363 -9.963 -9.029 1.00 0.29 C ATOM 624 CD ARG A 41 -0.178 -9.520 -10.381 1.00 0.40 C ATOM 625 NE ARG A 41 -1.196 -10.435 -10.895 1.00 0.97 N ATOM 626 CZ ARG A 41 -1.033 -11.184 -11.982 1.00 1.06 C ATOM 627 NH1 ARG A 41 0.097 -11.119 -12.674 1.00 1.54 N ATOM 628 NH2 ARG A 41 -2.000 -12.000 -12.378 1.00 1.61 N ATOM 0 H ARG A 41 0.166 -12.920 -6.587 1.00 0.28 H new ATOM 0 HA ARG A 41 1.814 -12.737 -9.042 1.00 0.25 H new ATOM 0 HB2 ARG A 41 -0.154 -11.910 -9.761 1.00 0.29 H new ATOM 0 HB3 ARG A 41 -0.736 -11.575 -8.143 1.00 0.29 H new ATOM 0 HG2 ARG A 41 -0.117 -9.390 -8.235 1.00 0.29 H new ATOM 0 HG3 ARG A 41 1.431 -9.752 -8.973 1.00 0.29 H new ATOM 0 HD2 ARG A 41 -0.603 -8.520 -10.291 1.00 0.40 H new ATOM 0 HD3 ARG A 41 0.643 -9.454 -11.095 1.00 0.40 H new ATOM 0 HE ARG A 41 -2.081 -10.503 -10.392 1.00 0.97 H new ATOM 0 HH11 ARG A 41 0.844 -10.493 -12.373 1.00 1.54 H new ATOM 0 HH12 ARG A 41 0.219 -11.695 -13.507 1.00 1.54 H new ATOM 0 HH21 ARG A 41 -2.870 -12.054 -11.849 1.00 1.61 H new ATOM 0 HH22 ARG A 41 -1.874 -12.574 -13.212 1.00 1.61 H new ATOM 642 N GLN A 42 3.238 -10.756 -8.337 1.00 0.26 N ATOM 643 CA GLN A 42 4.237 -9.841 -7.796 1.00 0.27 C ATOM 644 C GLN A 42 4.689 -8.815 -8.831 1.00 0.28 C ATOM 645 O GLN A 42 5.160 -9.172 -9.911 1.00 0.32 O ATOM 646 CB GLN A 42 5.447 -10.627 -7.285 1.00 0.34 C ATOM 647 CG GLN A 42 6.323 -9.836 -6.328 1.00 0.76 C ATOM 648 CD GLN A 42 6.803 -10.668 -5.156 1.00 0.89 C ATOM 649 OE1 GLN A 42 7.986 -10.658 -4.815 1.00 1.18 O ATOM 650 NE2 GLN A 42 5.883 -11.397 -4.533 1.00 1.37 N ATOM 0 H GLN A 42 3.332 -10.947 -9.335 1.00 0.26 H new ATOM 0 HA GLN A 42 3.773 -9.301 -6.971 1.00 0.27 H new ATOM 0 HB2 GLN A 42 5.098 -11.530 -6.784 1.00 0.34 H new ATOM 0 HB3 GLN A 42 6.049 -10.947 -8.136 1.00 0.34 H new ATOM 0 HG2 GLN A 42 7.185 -9.445 -6.869 1.00 0.76 H new ATOM 0 HG3 GLN A 42 5.765 -8.977 -5.955 1.00 0.76 H new ATOM 0 HE21 GLN A 42 4.914 -11.375 -4.850 1.00 1.37 H new ATOM 0 HE22 GLN A 42 6.146 -11.979 -3.738 1.00 1.37 H new ATOM 659 N LYS A 43 4.562 -7.535 -8.481 1.00 0.33 N ATOM 660 CA LYS A 43 4.982 -6.453 -9.372 1.00 0.38 C ATOM 661 C LYS A 43 6.003 -5.563 -8.682 1.00 0.27 C ATOM 662 O LYS A 43 6.219 -5.683 -7.475 1.00 0.20 O ATOM 663 CB LYS A 43 3.796 -5.591 -9.821 1.00 0.53 C ATOM 664 CG LYS A 43 2.455 -6.052 -9.286 1.00 0.36 C ATOM 665 CD LYS A 43 1.715 -6.897 -10.306 1.00 0.39 C ATOM 666 CE LYS A 43 1.059 -6.038 -11.375 1.00 0.57 C ATOM 667 NZ LYS A 43 1.135 -6.672 -12.720 1.00 1.77 N ATOM 0 H LYS A 43 4.174 -7.223 -7.591 1.00 0.33 H new ATOM 0 HA LYS A 43 5.426 -6.919 -10.252 1.00 0.38 H new ATOM 0 HB2 LYS A 43 3.968 -4.563 -9.503 1.00 0.53 H new ATOM 0 HB3 LYS A 43 3.757 -5.585 -10.910 1.00 0.53 H new ATOM 0 HG2 LYS A 43 2.604 -6.628 -8.373 1.00 0.36 H new ATOM 0 HG3 LYS A 43 1.850 -5.185 -9.021 1.00 0.36 H new ATOM 0 HD2 LYS A 43 2.410 -7.594 -10.774 1.00 0.39 H new ATOM 0 HD3 LYS A 43 0.955 -7.494 -9.802 1.00 0.39 H new ATOM 0 HE2 LYS A 43 0.015 -5.867 -11.113 1.00 0.57 H new ATOM 0 HE3 LYS A 43 1.544 -5.063 -11.405 1.00 0.57 H new ATOM 0 HZ1 LYS A 43 0.677 -6.055 -13.421 1.00 1.77 H new ATOM 0 HZ2 LYS A 43 2.132 -6.813 -12.982 1.00 1.77 H new ATOM 0 HZ3 LYS A 43 0.650 -7.592 -12.698 1.00 1.77 H new ATOM 681 N VAL A 44 6.621 -4.671 -9.461 1.00 0.34 N ATOM 682 CA VAL A 44 7.624 -3.740 -8.948 1.00 0.28 C ATOM 683 C VAL A 44 7.504 -2.383 -9.643 1.00 0.32 C ATOM 684 O VAL A 44 7.279 -2.317 -10.852 1.00 0.46 O ATOM 685 CB VAL A 44 9.060 -4.270 -9.150 1.00 0.37 C ATOM 686 CG1 VAL A 44 9.956 -3.837 -8.000 1.00 1.34 C ATOM 687 CG2 VAL A 44 9.071 -5.784 -9.297 1.00 1.47 C ATOM 0 H VAL A 44 6.440 -4.576 -10.460 1.00 0.34 H new ATOM 0 HA VAL A 44 7.435 -3.634 -7.880 1.00 0.28 H new ATOM 0 HB VAL A 44 9.450 -3.841 -10.073 1.00 0.37 H new ATOM 0 HG11 VAL A 44 10.964 -4.220 -8.160 1.00 1.34 H new ATOM 0 HG12 VAL A 44 9.985 -2.748 -7.951 1.00 1.34 H new ATOM 0 HG13 VAL A 44 9.562 -4.232 -7.063 1.00 1.34 H new ATOM 0 HG21 VAL A 44 10.096 -6.128 -9.438 1.00 1.47 H new ATOM 0 HG22 VAL A 44 8.655 -6.240 -8.398 1.00 1.47 H new ATOM 0 HG23 VAL A 44 8.470 -6.070 -10.160 1.00 1.47 H new ATOM 697 N VAL A 45 7.656 -1.301 -8.879 1.00 0.21 N ATOM 698 CA VAL A 45 7.562 0.051 -9.433 1.00 0.26 C ATOM 699 C VAL A 45 8.619 0.972 -8.835 1.00 0.23 C ATOM 700 O VAL A 45 9.213 0.661 -7.805 1.00 0.27 O ATOM 701 CB VAL A 45 6.168 0.669 -9.194 1.00 0.30 C ATOM 702 CG1 VAL A 45 5.071 -0.304 -9.602 1.00 0.50 C ATOM 703 CG2 VAL A 45 6.003 1.090 -7.740 1.00 0.33 C ATOM 0 H VAL A 45 7.844 -1.333 -7.877 1.00 0.21 H new ATOM 0 HA VAL A 45 7.731 -0.043 -10.506 1.00 0.26 H new ATOM 0 HB VAL A 45 6.082 1.560 -9.815 1.00 0.30 H new ATOM 0 HG11 VAL A 45 4.097 0.151 -9.425 1.00 0.50 H new ATOM 0 HG12 VAL A 45 5.173 -0.544 -10.660 1.00 0.50 H new ATOM 0 HG13 VAL A 45 5.157 -1.217 -9.013 1.00 0.50 H new ATOM 0 HG21 VAL A 45 5.013 1.523 -7.597 1.00 0.33 H new ATOM 0 HG22 VAL A 45 6.116 0.219 -7.094 1.00 0.33 H new ATOM 0 HG23 VAL A 45 6.762 1.830 -7.487 1.00 0.33 H new ATOM 713 N THR A 46 8.842 2.113 -9.483 1.00 0.29 N ATOM 714 CA THR A 46 9.823 3.079 -9.006 1.00 0.27 C ATOM 715 C THR A 46 9.145 4.270 -8.342 1.00 0.26 C ATOM 716 O THR A 46 8.128 4.769 -8.826 1.00 0.31 O ATOM 717 CB THR A 46 10.727 3.593 -10.140 1.00 0.33 C ATOM 718 OG1 THR A 46 9.972 4.425 -11.032 1.00 0.39 O ATOM 719 CG2 THR A 46 11.337 2.434 -10.916 1.00 0.39 C ATOM 0 H THR A 46 8.357 2.389 -10.337 1.00 0.29 H new ATOM 0 HA THR A 46 10.439 2.553 -8.277 1.00 0.27 H new ATOM 0 HB THR A 46 11.533 4.176 -9.694 1.00 0.33 H new ATOM 0 HG1 THR A 46 10.555 4.749 -11.750 1.00 0.39 H new ATOM 0 HG21 THR A 46 11.972 2.823 -11.712 1.00 0.39 H new ATOM 0 HG22 THR A 46 11.935 1.820 -10.243 1.00 0.39 H new ATOM 0 HG23 THR A 46 10.542 1.828 -11.350 1.00 0.39 H new ATOM 727 N LEU A 47 9.713 4.715 -7.228 1.00 0.22 N ATOM 728 CA LEU A 47 9.160 5.847 -6.490 1.00 0.24 C ATOM 729 C LEU A 47 9.766 7.169 -6.951 1.00 0.29 C ATOM 730 O LEU A 47 10.965 7.262 -7.212 1.00 0.36 O ATOM 731 CB LEU A 47 9.383 5.666 -4.985 1.00 0.35 C ATOM 732 CG LEU A 47 8.472 4.636 -4.307 1.00 0.52 C ATOM 733 CD1 LEU A 47 7.031 4.790 -4.773 1.00 0.74 C ATOM 734 CD2 LEU A 47 8.972 3.225 -4.581 1.00 1.31 C ATOM 0 H LEU A 47 10.554 4.312 -6.815 1.00 0.22 H new ATOM 0 HA LEU A 47 8.090 5.878 -6.693 1.00 0.24 H new ATOM 0 HB2 LEU A 47 10.420 5.373 -4.821 1.00 0.35 H new ATOM 0 HB3 LEU A 47 9.242 6.629 -4.495 1.00 0.35 H new ATOM 0 HG LEU A 47 8.500 4.815 -3.232 1.00 0.52 H new ATOM 0 HD11 LEU A 47 6.407 4.047 -4.276 1.00 0.74 H new ATOM 0 HD12 LEU A 47 6.673 5.789 -4.525 1.00 0.74 H new ATOM 0 HD13 LEU A 47 6.980 4.644 -5.852 1.00 0.74 H new ATOM 0 HD21 LEU A 47 8.315 2.505 -4.093 1.00 1.31 H new ATOM 0 HD22 LEU A 47 8.976 3.043 -5.656 1.00 1.31 H new ATOM 0 HD23 LEU A 47 9.984 3.115 -4.191 1.00 1.31 H new ATOM 746 N THR A 48 8.920 8.190 -7.039 1.00 0.29 N ATOM 747 CA THR A 48 9.348 9.519 -7.453 1.00 0.38 C ATOM 748 C THR A 48 8.660 10.581 -6.603 1.00 0.37 C ATOM 749 O THR A 48 7.439 10.733 -6.659 1.00 0.37 O ATOM 750 CB THR A 48 9.038 9.779 -8.938 1.00 0.46 C ATOM 751 OG1 THR A 48 8.025 8.875 -9.394 1.00 0.52 O ATOM 752 CG2 THR A 48 10.290 9.619 -9.789 1.00 0.60 C ATOM 0 H THR A 48 7.925 8.120 -6.827 1.00 0.29 H new ATOM 0 HA THR A 48 10.428 9.573 -7.313 1.00 0.38 H new ATOM 0 HB THR A 48 8.680 10.804 -9.037 1.00 0.46 H new ATOM 0 HG1 THR A 48 7.833 9.049 -10.339 1.00 0.52 H new ATOM 0 HG21 THR A 48 10.046 9.808 -10.834 1.00 0.60 H new ATOM 0 HG22 THR A 48 11.047 10.330 -9.459 1.00 0.60 H new ATOM 0 HG23 THR A 48 10.674 8.605 -9.684 1.00 0.60 H new ATOM 760 N ASP A 49 9.445 11.300 -5.805 1.00 0.40 N ATOM 761 CA ASP A 49 8.904 12.335 -4.929 1.00 0.42 C ATOM 762 C ASP A 49 7.946 11.720 -3.913 1.00 0.39 C ATOM 763 O ASP A 49 7.108 12.409 -3.331 1.00 0.48 O ATOM 764 CB ASP A 49 8.188 13.414 -5.745 1.00 0.45 C ATOM 765 CG ASP A 49 9.055 13.962 -6.862 1.00 1.01 C ATOM 766 OD1 ASP A 49 9.040 13.378 -7.966 1.00 1.86 O ATOM 767 OD2 ASP A 49 9.749 14.975 -6.633 1.00 1.01 O ATOM 0 H ASP A 49 10.457 11.185 -5.747 1.00 0.40 H new ATOM 0 HA ASP A 49 9.733 12.800 -4.395 1.00 0.42 H new ATOM 0 HB2 ASP A 49 7.273 12.999 -6.168 1.00 0.45 H new ATOM 0 HB3 ASP A 49 7.892 14.229 -5.085 1.00 0.45 H new ATOM 772 N THR A 50 8.083 10.412 -3.711 1.00 0.33 N ATOM 773 CA THR A 50 7.243 9.678 -2.771 1.00 0.30 C ATOM 774 C THR A 50 8.048 9.243 -1.549 1.00 0.35 C ATOM 775 O THR A 50 9.040 8.525 -1.673 1.00 0.45 O ATOM 776 CB THR A 50 6.627 8.437 -3.440 1.00 0.25 C ATOM 777 OG1 THR A 50 7.585 7.826 -4.308 1.00 0.73 O ATOM 778 CG2 THR A 50 5.388 8.818 -4.236 1.00 0.56 C ATOM 0 H THR A 50 8.774 9.835 -4.191 1.00 0.33 H new ATOM 0 HA THR A 50 6.443 10.347 -2.454 1.00 0.30 H new ATOM 0 HB THR A 50 6.340 7.731 -2.660 1.00 0.25 H new ATOM 0 HG1 THR A 50 7.156 7.597 -5.159 1.00 0.73 H new ATOM 0 HG21 THR A 50 4.967 7.927 -4.702 1.00 0.56 H new ATOM 0 HG22 THR A 50 4.649 9.263 -3.569 1.00 0.56 H new ATOM 0 HG23 THR A 50 5.659 9.538 -5.009 1.00 0.56 H new ATOM 786 N THR A 51 7.620 9.686 -0.367 1.00 0.41 N ATOM 787 CA THR A 51 8.309 9.343 0.874 1.00 0.48 C ATOM 788 C THR A 51 8.271 7.840 1.123 1.00 0.35 C ATOM 789 O THR A 51 7.609 7.104 0.394 1.00 0.33 O ATOM 790 CB THR A 51 7.697 10.072 2.086 1.00 0.64 C ATOM 791 OG1 THR A 51 6.870 11.154 1.642 1.00 0.63 O ATOM 792 CG2 THR A 51 8.788 10.609 3.000 1.00 0.84 C ATOM 0 H THR A 51 6.801 10.282 -0.244 1.00 0.41 H new ATOM 0 HA THR A 51 9.344 9.665 0.758 1.00 0.48 H new ATOM 0 HB THR A 51 7.093 9.357 2.644 1.00 0.64 H new ATOM 0 HG1 THR A 51 6.484 11.611 2.418 1.00 0.63 H new ATOM 0 HG21 THR A 51 8.333 11.120 3.849 1.00 0.84 H new ATOM 0 HG22 THR A 51 9.401 9.782 3.360 1.00 0.84 H new ATOM 0 HG23 THR A 51 9.413 11.310 2.447 1.00 0.84 H new ATOM 800 N ASN A 52 8.992 7.389 2.151 1.00 0.30 N ATOM 801 CA ASN A 52 9.048 5.967 2.487 1.00 0.26 C ATOM 802 C ASN A 52 7.650 5.352 2.536 1.00 0.19 C ATOM 803 O ASN A 52 7.366 4.381 1.833 1.00 0.20 O ATOM 804 CB ASN A 52 9.772 5.755 3.823 1.00 0.29 C ATOM 805 CG ASN A 52 9.012 6.323 5.006 1.00 0.54 C ATOM 806 OD1 ASN A 52 8.741 5.617 5.977 1.00 0.71 O ATOM 807 ND2 ASN A 52 8.664 7.602 4.931 1.00 0.80 N ATOM 0 H ASN A 52 9.545 7.988 2.764 1.00 0.30 H new ATOM 0 HA ASN A 52 9.610 5.463 1.701 1.00 0.26 H new ATOM 0 HB2 ASN A 52 9.930 4.688 3.979 1.00 0.29 H new ATOM 0 HB3 ASN A 52 10.757 6.220 3.774 1.00 0.29 H new ATOM 0 HD21 ASN A 52 8.151 8.037 5.698 1.00 0.80 H new ATOM 0 HD22 ASN A 52 8.910 8.150 4.106 1.00 0.80 H new ATOM 814 N GLN A 53 6.776 5.921 3.356 1.00 0.17 N ATOM 815 CA GLN A 53 5.416 5.417 3.467 1.00 0.20 C ATOM 816 C GLN A 53 4.733 5.452 2.107 1.00 0.24 C ATOM 817 O GLN A 53 4.008 4.528 1.738 1.00 0.34 O ATOM 818 CB GLN A 53 4.620 6.240 4.478 1.00 0.27 C ATOM 819 CG GLN A 53 4.755 5.739 5.907 1.00 0.89 C ATOM 820 CD GLN A 53 5.391 6.764 6.825 1.00 1.75 C ATOM 821 OE1 GLN A 53 6.614 6.893 6.876 1.00 2.48 O ATOM 822 NE2 GLN A 53 4.564 7.500 7.557 1.00 1.81 N ATOM 0 H GLN A 53 6.983 6.725 3.949 1.00 0.17 H new ATOM 0 HA GLN A 53 5.456 4.385 3.817 1.00 0.20 H new ATOM 0 HB2 GLN A 53 4.952 7.277 4.432 1.00 0.27 H new ATOM 0 HB3 GLN A 53 3.567 6.229 4.195 1.00 0.27 H new ATOM 0 HG2 GLN A 53 3.769 5.475 6.290 1.00 0.89 H new ATOM 0 HG3 GLN A 53 5.354 4.829 5.914 1.00 0.89 H new ATOM 0 HE21 GLN A 53 3.556 7.360 7.484 1.00 1.81 H new ATOM 0 HE22 GLN A 53 4.936 8.205 8.193 1.00 1.81 H new ATOM 831 N LYS A 54 4.984 6.522 1.360 1.00 0.20 N ATOM 832 CA LYS A 54 4.407 6.678 0.033 1.00 0.27 C ATOM 833 C LYS A 54 4.894 5.576 -0.898 1.00 0.24 C ATOM 834 O LYS A 54 4.181 5.179 -1.812 1.00 0.27 O ATOM 835 CB LYS A 54 4.741 8.047 -0.558 1.00 0.34 C ATOM 836 CG LYS A 54 3.761 9.137 -0.156 1.00 0.50 C ATOM 837 CD LYS A 54 4.187 9.824 1.130 1.00 0.80 C ATOM 838 CE LYS A 54 3.611 9.128 2.351 1.00 0.61 C ATOM 839 NZ LYS A 54 2.190 9.506 2.589 1.00 1.52 N ATOM 0 H LYS A 54 5.584 7.293 1.653 1.00 0.20 H new ATOM 0 HA LYS A 54 3.324 6.603 0.133 1.00 0.27 H new ATOM 0 HB2 LYS A 54 5.743 8.336 -0.241 1.00 0.34 H new ATOM 0 HB3 LYS A 54 4.760 7.970 -1.645 1.00 0.34 H new ATOM 0 HG2 LYS A 54 3.687 9.874 -0.956 1.00 0.50 H new ATOM 0 HG3 LYS A 54 2.768 8.706 -0.027 1.00 0.50 H new ATOM 0 HD2 LYS A 54 5.275 9.834 1.195 1.00 0.80 H new ATOM 0 HD3 LYS A 54 3.859 10.863 1.114 1.00 0.80 H new ATOM 0 HE2 LYS A 54 3.682 8.048 2.220 1.00 0.61 H new ATOM 0 HE3 LYS A 54 4.206 9.383 3.228 1.00 0.61 H new ATOM 0 HZ1 LYS A 54 2.037 9.659 3.606 1.00 1.52 H new ATOM 0 HZ2 LYS A 54 1.972 10.381 2.070 1.00 1.52 H new ATOM 0 HZ3 LYS A 54 1.567 8.742 2.257 1.00 1.52 H new ATOM 853 N THR A 55 6.100 5.063 -0.652 1.00 0.21 N ATOM 854 CA THR A 55 6.623 3.981 -1.475 1.00 0.23 C ATOM 855 C THR A 55 5.681 2.803 -1.351 1.00 0.19 C ATOM 856 O THR A 55 5.421 2.079 -2.312 1.00 0.21 O ATOM 857 CB THR A 55 8.046 3.547 -1.066 1.00 0.29 C ATOM 858 OG1 THR A 55 7.993 2.687 0.079 1.00 0.30 O ATOM 859 CG2 THR A 55 8.921 4.753 -0.764 1.00 0.34 C ATOM 0 H THR A 55 6.720 5.374 0.096 1.00 0.21 H new ATOM 0 HA THR A 55 6.690 4.338 -2.503 1.00 0.23 H new ATOM 0 HB THR A 55 8.485 3.005 -1.904 1.00 0.29 H new ATOM 0 HG1 THR A 55 7.475 3.120 0.790 1.00 0.30 H new ATOM 0 HG21 THR A 55 9.918 4.417 -0.479 1.00 0.34 H new ATOM 0 HG22 THR A 55 8.991 5.383 -1.651 1.00 0.34 H new ATOM 0 HG23 THR A 55 8.483 5.325 0.054 1.00 0.34 H new ATOM 867 N GLU A 56 5.144 2.657 -0.148 1.00 0.16 N ATOM 868 CA GLU A 56 4.184 1.610 0.148 1.00 0.18 C ATOM 869 C GLU A 56 2.819 2.020 -0.382 1.00 0.18 C ATOM 870 O GLU A 56 1.978 1.175 -0.667 1.00 0.22 O ATOM 871 CB GLU A 56 4.121 1.357 1.653 1.00 0.19 C ATOM 872 CG GLU A 56 5.383 1.780 2.388 1.00 0.21 C ATOM 873 CD GLU A 56 6.454 0.706 2.380 1.00 0.39 C ATOM 874 OE1 GLU A 56 6.101 -0.485 2.245 1.00 0.52 O ATOM 875 OE2 GLU A 56 7.646 1.056 2.509 1.00 0.65 O ATOM 0 H GLU A 56 5.362 3.260 0.645 1.00 0.16 H new ATOM 0 HA GLU A 56 4.495 0.685 -0.337 1.00 0.18 H new ATOM 0 HB2 GLU A 56 3.269 1.895 2.069 1.00 0.19 H new ATOM 0 HB3 GLU A 56 3.945 0.296 1.829 1.00 0.19 H new ATOM 0 HG2 GLU A 56 5.779 2.686 1.929 1.00 0.21 H new ATOM 0 HG3 GLU A 56 5.132 2.029 3.419 1.00 0.21 H new ATOM 882 N LEU A 57 2.620 3.332 -0.526 1.00 0.18 N ATOM 883 CA LEU A 57 1.366 3.870 -1.041 1.00 0.22 C ATOM 884 C LEU A 57 1.252 3.582 -2.532 1.00 0.23 C ATOM 885 O LEU A 57 0.209 3.147 -3.014 1.00 0.29 O ATOM 886 CB LEU A 57 1.278 5.380 -0.797 1.00 0.25 C ATOM 887 CG LEU A 57 0.383 5.815 0.369 1.00 0.42 C ATOM 888 CD1 LEU A 57 -0.867 4.949 0.452 1.00 0.99 C ATOM 889 CD2 LEU A 57 1.161 5.769 1.675 1.00 1.24 C ATOM 0 H LEU A 57 3.315 4.040 -0.292 1.00 0.18 H new ATOM 0 HA LEU A 57 0.544 3.387 -0.513 1.00 0.22 H new ATOM 0 HB2 LEU A 57 2.284 5.760 -0.620 1.00 0.25 H new ATOM 0 HB3 LEU A 57 0.914 5.856 -1.707 1.00 0.25 H new ATOM 0 HG LEU A 57 0.063 6.842 0.191 1.00 0.42 H new ATOM 0 HD11 LEU A 57 -1.484 5.279 1.288 1.00 0.99 H new ATOM 0 HD12 LEU A 57 -1.434 5.038 -0.475 1.00 0.99 H new ATOM 0 HD13 LEU A 57 -0.579 3.908 0.603 1.00 0.99 H new ATOM 0 HD21 LEU A 57 0.514 6.080 2.495 1.00 1.24 H new ATOM 0 HD22 LEU A 57 1.511 4.752 1.855 1.00 1.24 H new ATOM 0 HD23 LEU A 57 2.017 6.441 1.613 1.00 1.24 H new ATOM 901 N GLN A 58 2.342 3.800 -3.258 1.00 0.20 N ATOM 902 CA GLN A 58 2.353 3.522 -4.681 1.00 0.20 C ATOM 903 C GLN A 58 2.138 2.027 -4.862 1.00 0.20 C ATOM 904 O GLN A 58 1.279 1.583 -5.632 1.00 0.22 O ATOM 905 CB GLN A 58 3.674 3.970 -5.315 1.00 0.20 C ATOM 906 CG GLN A 58 3.799 3.601 -6.788 1.00 0.22 C ATOM 907 CD GLN A 58 2.518 3.853 -7.568 1.00 0.23 C ATOM 908 OE1 GLN A 58 2.181 4.996 -7.875 1.00 0.27 O ATOM 909 NE2 GLN A 58 1.801 2.782 -7.893 1.00 0.24 N ATOM 0 H GLN A 58 3.219 4.165 -2.886 1.00 0.20 H new ATOM 0 HA GLN A 58 1.559 4.077 -5.180 1.00 0.20 H new ATOM 0 HB2 GLN A 58 3.770 5.051 -5.210 1.00 0.20 H new ATOM 0 HB3 GLN A 58 4.502 3.522 -4.765 1.00 0.20 H new ATOM 0 HG2 GLN A 58 4.610 4.176 -7.235 1.00 0.22 H new ATOM 0 HG3 GLN A 58 4.070 2.549 -6.873 1.00 0.22 H new ATOM 0 HE21 GLN A 58 2.119 1.853 -7.617 1.00 0.24 H new ATOM 0 HE22 GLN A 58 0.933 2.889 -8.418 1.00 0.24 H new ATOM 918 N ALA A 59 2.894 1.250 -4.090 1.00 0.21 N ATOM 919 CA ALA A 59 2.761 -0.193 -4.111 1.00 0.21 C ATOM 920 C ALA A 59 1.343 -0.560 -3.701 1.00 0.19 C ATOM 921 O ALA A 59 0.760 -1.511 -4.215 1.00 0.20 O ATOM 922 CB ALA A 59 3.774 -0.838 -3.177 1.00 0.24 C ATOM 0 H ALA A 59 3.602 1.601 -3.445 1.00 0.21 H new ATOM 0 HA ALA A 59 2.957 -0.563 -5.117 1.00 0.21 H new ATOM 0 HB1 ALA A 59 3.658 -1.921 -3.207 1.00 0.24 H new ATOM 0 HB2 ALA A 59 4.782 -0.572 -3.494 1.00 0.24 H new ATOM 0 HB3 ALA A 59 3.608 -0.483 -2.160 1.00 0.24 H new ATOM 928 N ILE A 60 0.791 0.233 -2.781 1.00 0.20 N ATOM 929 CA ILE A 60 -0.570 0.035 -2.297 1.00 0.21 C ATOM 930 C ILE A 60 -1.525 -0.049 -3.480 1.00 0.20 C ATOM 931 O ILE A 60 -2.355 -0.955 -3.567 1.00 0.21 O ATOM 932 CB ILE A 60 -0.991 1.188 -1.352 1.00 0.25 C ATOM 933 CG1 ILE A 60 -0.761 0.787 0.114 1.00 0.19 C ATOM 934 CG2 ILE A 60 -2.438 1.607 -1.598 1.00 0.43 C ATOM 935 CD1 ILE A 60 -2.013 0.745 0.967 1.00 0.67 C ATOM 0 H ILE A 60 1.273 1.024 -2.355 1.00 0.20 H new ATOM 0 HA ILE A 60 -0.609 -0.897 -1.733 1.00 0.21 H new ATOM 0 HB ILE A 60 -0.366 2.055 -1.568 1.00 0.25 H new ATOM 0 HG12 ILE A 60 -0.290 -0.196 0.137 1.00 0.19 H new ATOM 0 HG13 ILE A 60 -0.057 1.489 0.561 1.00 0.19 H new ATOM 0 HG21 ILE A 60 -2.702 2.418 -0.919 1.00 0.43 H new ATOM 0 HG22 ILE A 60 -2.549 1.946 -2.628 1.00 0.43 H new ATOM 0 HG23 ILE A 60 -3.098 0.757 -1.423 1.00 0.43 H new ATOM 0 HD11 ILE A 60 -1.751 0.453 1.984 1.00 0.67 H new ATOM 0 HD12 ILE A 60 -2.477 1.731 0.981 1.00 0.67 H new ATOM 0 HD13 ILE A 60 -2.713 0.021 0.550 1.00 0.67 H new ATOM 947 N TYR A 61 -1.378 0.901 -4.394 1.00 0.22 N ATOM 948 CA TYR A 61 -2.196 0.955 -5.597 1.00 0.24 C ATOM 949 C TYR A 61 -2.106 -0.367 -6.360 1.00 0.25 C ATOM 950 O TYR A 61 -3.073 -0.802 -6.983 1.00 0.27 O ATOM 951 CB TYR A 61 -1.730 2.134 -6.467 1.00 0.27 C ATOM 952 CG TYR A 61 -1.931 1.965 -7.960 1.00 0.22 C ATOM 953 CD1 TYR A 61 -1.022 1.235 -8.720 1.00 0.26 C ATOM 954 CD2 TYR A 61 -3.036 2.511 -8.606 1.00 0.24 C ATOM 955 CE1 TYR A 61 -1.207 1.060 -10.078 1.00 0.30 C ATOM 956 CE2 TYR A 61 -3.228 2.337 -9.962 1.00 0.27 C ATOM 957 CZ TYR A 61 -2.286 1.697 -10.707 1.00 0.30 C ATOM 958 OH TYR A 61 -2.497 1.435 -12.046 1.00 0.38 O ATOM 0 H TYR A 61 -0.692 1.652 -4.323 1.00 0.22 H new ATOM 0 HA TYR A 61 -3.241 1.108 -5.327 1.00 0.24 H new ATOM 0 HB2 TYR A 61 -2.260 3.031 -6.146 1.00 0.27 H new ATOM 0 HB3 TYR A 61 -0.670 2.305 -6.278 1.00 0.27 H new ATOM 0 HD1 TYR A 61 -0.158 0.798 -8.241 1.00 0.26 H new ATOM 0 HD2 TYR A 61 -3.756 3.081 -8.037 1.00 0.24 H new ATOM 0 HE1 TYR A 61 -0.530 0.441 -10.647 1.00 0.30 H new ATOM 0 HE2 TYR A 61 -4.126 2.709 -10.432 1.00 0.27 H new ATOM 0 HH TYR A 61 -2.340 0.484 -12.222 1.00 0.38 H new ATOM 968 N LEU A 62 -0.933 -0.999 -6.306 1.00 0.25 N ATOM 969 CA LEU A 62 -0.711 -2.272 -6.996 1.00 0.26 C ATOM 970 C LEU A 62 -1.611 -3.377 -6.454 1.00 0.25 C ATOM 971 O LEU A 62 -2.335 -4.024 -7.210 1.00 0.28 O ATOM 972 CB LEU A 62 0.748 -2.709 -6.855 1.00 0.30 C ATOM 973 CG LEU A 62 1.780 -1.622 -7.162 1.00 0.54 C ATOM 974 CD1 LEU A 62 3.185 -2.129 -6.880 1.00 0.55 C ATOM 975 CD2 LEU A 62 1.661 -1.162 -8.608 1.00 0.91 C ATOM 0 H LEU A 62 -0.123 -0.652 -5.793 1.00 0.25 H new ATOM 0 HA LEU A 62 -0.953 -2.110 -8.046 1.00 0.26 H new ATOM 0 HB2 LEU A 62 0.909 -3.065 -5.837 1.00 0.30 H new ATOM 0 HB3 LEU A 62 0.924 -3.555 -7.520 1.00 0.30 H new ATOM 0 HG LEU A 62 1.583 -0.769 -6.513 1.00 0.54 H new ATOM 0 HD11 LEU A 62 3.907 -1.344 -7.104 1.00 0.55 H new ATOM 0 HD12 LEU A 62 3.267 -2.409 -5.830 1.00 0.55 H new ATOM 0 HD13 LEU A 62 3.390 -2.999 -7.504 1.00 0.55 H new ATOM 0 HD21 LEU A 62 2.403 -0.389 -8.806 1.00 0.91 H new ATOM 0 HD22 LEU A 62 1.831 -2.008 -9.274 1.00 0.91 H new ATOM 0 HD23 LEU A 62 0.663 -0.759 -8.781 1.00 0.91 H new ATOM 987 N ALA A 63 -1.559 -3.594 -5.144 1.00 0.25 N ATOM 988 CA ALA A 63 -2.368 -4.629 -4.513 1.00 0.29 C ATOM 989 C ALA A 63 -3.839 -4.267 -4.572 1.00 0.23 C ATOM 990 O ALA A 63 -4.712 -5.133 -4.524 1.00 0.29 O ATOM 991 CB ALA A 63 -1.935 -4.842 -3.075 1.00 0.41 C ATOM 0 H ALA A 63 -0.967 -3.069 -4.501 1.00 0.25 H new ATOM 0 HA ALA A 63 -2.219 -5.559 -5.061 1.00 0.29 H new ATOM 0 HB1 ALA A 63 -2.551 -5.618 -2.621 1.00 0.41 H new ATOM 0 HB2 ALA A 63 -0.889 -5.148 -3.051 1.00 0.41 H new ATOM 0 HB3 ALA A 63 -2.054 -3.913 -2.518 1.00 0.41 H new ATOM 997 N LEU A 64 -4.100 -2.974 -4.686 1.00 0.19 N ATOM 998 CA LEU A 64 -5.465 -2.476 -4.763 1.00 0.22 C ATOM 999 C LEU A 64 -5.964 -2.536 -6.201 1.00 0.27 C ATOM 1000 O LEU A 64 -7.166 -2.459 -6.458 1.00 0.43 O ATOM 1001 CB LEU A 64 -5.540 -1.044 -4.230 1.00 0.31 C ATOM 1002 CG LEU A 64 -6.193 -0.903 -2.855 1.00 0.27 C ATOM 1003 CD1 LEU A 64 -5.163 -0.498 -1.813 1.00 0.57 C ATOM 1004 CD2 LEU A 64 -7.329 0.107 -2.907 1.00 0.42 C ATOM 0 H LEU A 64 -3.383 -2.249 -4.727 1.00 0.19 H new ATOM 0 HA LEU A 64 -6.104 -3.107 -4.145 1.00 0.22 H new ATOM 0 HB2 LEU A 64 -4.530 -0.637 -4.180 1.00 0.31 H new ATOM 0 HB3 LEU A 64 -6.094 -0.435 -4.944 1.00 0.31 H new ATOM 0 HG LEU A 64 -6.606 -1.870 -2.569 1.00 0.27 H new ATOM 0 HD11 LEU A 64 -5.647 -0.403 -0.841 1.00 0.57 H new ATOM 0 HD12 LEU A 64 -4.384 -1.258 -1.757 1.00 0.57 H new ATOM 0 HD13 LEU A 64 -4.719 0.457 -2.092 1.00 0.57 H new ATOM 0 HD21 LEU A 64 -7.783 0.195 -1.920 1.00 0.42 H new ATOM 0 HD22 LEU A 64 -6.939 1.077 -3.215 1.00 0.42 H new ATOM 0 HD23 LEU A 64 -8.080 -0.227 -3.623 1.00 0.42 H new ATOM 1016 N GLN A 65 -5.026 -2.671 -7.134 1.00 0.22 N ATOM 1017 CA GLN A 65 -5.355 -2.739 -8.552 1.00 0.26 C ATOM 1018 C GLN A 65 -5.909 -4.110 -8.938 1.00 0.25 C ATOM 1019 O GLN A 65 -6.961 -4.203 -9.571 1.00 0.29 O ATOM 1020 CB GLN A 65 -4.117 -2.429 -9.395 1.00 0.29 C ATOM 1021 CG GLN A 65 -4.049 -0.986 -9.867 1.00 0.34 C ATOM 1022 CD GLN A 65 -4.401 -0.835 -11.334 1.00 0.49 C ATOM 1023 OE1 GLN A 65 -3.574 -1.082 -12.211 1.00 1.29 O ATOM 1024 NE2 GLN A 65 -5.636 -0.428 -11.608 1.00 0.54 N ATOM 0 H GLN A 65 -4.028 -2.736 -6.931 1.00 0.22 H new ATOM 0 HA GLN A 65 -6.128 -1.995 -8.746 1.00 0.26 H new ATOM 0 HB2 GLN A 65 -3.224 -2.654 -8.811 1.00 0.29 H new ATOM 0 HB3 GLN A 65 -4.105 -3.088 -10.263 1.00 0.29 H new ATOM 0 HG2 GLN A 65 -4.730 -0.380 -9.270 1.00 0.34 H new ATOM 0 HG3 GLN A 65 -3.044 -0.599 -9.697 1.00 0.34 H new ATOM 0 HE21 GLN A 65 -6.289 -0.234 -10.849 1.00 0.54 H new ATOM 0 HE22 GLN A 65 -5.931 -0.309 -12.577 1.00 0.54 H new ATOM 1033 N ASP A 66 -5.191 -5.170 -8.571 1.00 0.25 N ATOM 1034 CA ASP A 66 -5.615 -6.528 -8.902 1.00 0.28 C ATOM 1035 C ASP A 66 -6.506 -7.125 -7.814 1.00 0.26 C ATOM 1036 O ASP A 66 -6.958 -8.264 -7.933 1.00 0.37 O ATOM 1037 CB ASP A 66 -4.394 -7.421 -9.123 1.00 0.35 C ATOM 1038 CG ASP A 66 -3.336 -6.754 -9.982 1.00 0.51 C ATOM 1039 OD1 ASP A 66 -2.644 -5.848 -9.473 1.00 0.84 O ATOM 1040 OD2 ASP A 66 -3.201 -7.139 -11.162 1.00 0.75 O ATOM 0 H ASP A 66 -4.318 -5.115 -8.047 1.00 0.25 H new ATOM 0 HA ASP A 66 -6.200 -6.476 -9.820 1.00 0.28 H new ATOM 0 HB2 ASP A 66 -3.961 -7.685 -8.158 1.00 0.35 H new ATOM 0 HB3 ASP A 66 -4.709 -8.351 -9.596 1.00 0.35 H new ATOM 1045 N SER A 67 -6.755 -6.354 -6.758 1.00 0.24 N ATOM 1046 CA SER A 67 -7.595 -6.812 -5.652 1.00 0.25 C ATOM 1047 C SER A 67 -8.901 -7.416 -6.161 1.00 0.43 C ATOM 1048 O SER A 67 -9.260 -8.537 -5.800 1.00 1.15 O ATOM 1049 CB SER A 67 -7.902 -5.642 -4.718 1.00 0.23 C ATOM 1050 OG SER A 67 -8.636 -4.633 -5.389 1.00 1.26 O ATOM 0 H SER A 67 -6.388 -5.409 -6.644 1.00 0.24 H new ATOM 0 HA SER A 67 -7.049 -7.585 -5.110 1.00 0.25 H new ATOM 0 HB2 SER A 67 -8.470 -5.998 -3.858 1.00 0.23 H new ATOM 0 HB3 SER A 67 -6.971 -5.225 -4.335 1.00 0.23 H new ATOM 0 HG SER A 67 -8.020 -3.948 -5.724 1.00 1.26 H new ATOM 1056 N GLY A 68 -9.608 -6.663 -6.998 1.00 0.54 N ATOM 1057 CA GLY A 68 -10.870 -7.136 -7.540 1.00 0.53 C ATOM 1058 C GLY A 68 -12.062 -6.506 -6.846 1.00 0.52 C ATOM 1059 O GLY A 68 -12.720 -5.627 -7.403 1.00 0.69 O ATOM 0 H GLY A 68 -9.330 -5.733 -7.311 1.00 0.54 H new ATOM 0 HA2 GLY A 68 -10.912 -6.913 -8.606 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -10.924 -8.220 -7.439 1.00 0.53 H new ATOM 1063 N LEU A 69 -12.333 -6.952 -5.624 1.00 0.47 N ATOM 1064 CA LEU A 69 -13.445 -6.423 -4.840 1.00 0.48 C ATOM 1065 C LEU A 69 -12.986 -6.088 -3.427 1.00 0.45 C ATOM 1066 O LEU A 69 -12.446 -5.012 -3.178 1.00 0.55 O ATOM 1067 CB LEU A 69 -14.600 -7.426 -4.794 1.00 0.49 C ATOM 1068 CG LEU A 69 -15.019 -7.993 -6.152 1.00 1.04 C ATOM 1069 CD1 LEU A 69 -14.893 -9.508 -6.165 1.00 1.59 C ATOM 1070 CD2 LEU A 69 -16.444 -7.573 -6.483 1.00 1.85 C ATOM 0 H LEU A 69 -11.796 -7.681 -5.153 1.00 0.47 H new ATOM 0 HA LEU A 69 -13.798 -5.511 -5.321 1.00 0.48 H new ATOM 0 HB2 LEU A 69 -14.317 -8.253 -4.143 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -15.463 -6.942 -4.337 1.00 0.49 H new ATOM 0 HG LEU A 69 -14.352 -7.590 -6.914 1.00 1.04 H new ATOM 0 HD11 LEU A 69 -15.196 -9.890 -7.140 1.00 1.59 H new ATOM 0 HD12 LEU A 69 -13.858 -9.789 -5.971 1.00 1.59 H new ATOM 0 HD13 LEU A 69 -15.535 -9.933 -5.393 1.00 1.59 H new ATOM 0 HD21 LEU A 69 -16.729 -7.984 -7.452 1.00 1.85 H new ATOM 0 HD22 LEU A 69 -17.122 -7.949 -5.716 1.00 1.85 H new ATOM 0 HD23 LEU A 69 -16.504 -6.485 -6.518 1.00 1.85 H new ATOM 1082 N GLU A 70 -13.195 -7.021 -2.506 1.00 0.36 N ATOM 1083 CA GLU A 70 -12.791 -6.827 -1.123 1.00 0.33 C ATOM 1084 C GLU A 70 -11.514 -7.601 -0.842 1.00 0.29 C ATOM 1085 O GLU A 70 -11.445 -8.809 -1.072 1.00 0.32 O ATOM 1086 CB GLU A 70 -13.896 -7.289 -0.177 1.00 0.34 C ATOM 1087 CG GLU A 70 -14.426 -8.672 -0.509 1.00 0.88 C ATOM 1088 CD GLU A 70 -15.525 -9.121 0.435 1.00 0.89 C ATOM 1089 OE1 GLU A 70 -15.242 -9.291 1.639 1.00 1.13 O ATOM 1090 OE2 GLU A 70 -16.670 -9.302 -0.031 1.00 1.31 O ATOM 0 H GLU A 70 -13.642 -7.918 -2.694 1.00 0.36 H new ATOM 0 HA GLU A 70 -12.610 -5.765 -0.958 1.00 0.33 H new ATOM 0 HB2 GLU A 70 -13.515 -7.288 0.844 1.00 0.34 H new ATOM 0 HB3 GLU A 70 -14.718 -6.574 -0.211 1.00 0.34 H new ATOM 0 HG2 GLU A 70 -14.807 -8.675 -1.530 1.00 0.88 H new ATOM 0 HG3 GLU A 70 -13.606 -9.389 -0.472 1.00 0.88 H new ATOM 1097 N VAL A 71 -10.500 -6.905 -0.351 1.00 0.26 N ATOM 1098 CA VAL A 71 -9.229 -7.539 -0.048 1.00 0.23 C ATOM 1099 C VAL A 71 -8.597 -6.958 1.206 1.00 0.22 C ATOM 1100 O VAL A 71 -8.909 -5.845 1.616 1.00 0.30 O ATOM 1101 CB VAL A 71 -8.229 -7.386 -1.207 1.00 0.27 C ATOM 1102 CG1 VAL A 71 -8.760 -8.056 -2.464 1.00 0.33 C ATOM 1103 CG2 VAL A 71 -7.930 -5.918 -1.459 1.00 0.41 C ATOM 0 H VAL A 71 -10.533 -5.905 -0.155 1.00 0.26 H new ATOM 0 HA VAL A 71 -9.448 -8.595 0.109 1.00 0.23 H new ATOM 0 HB VAL A 71 -7.298 -7.880 -0.929 1.00 0.27 H new ATOM 0 HG11 VAL A 71 -8.039 -7.937 -3.272 1.00 0.33 H new ATOM 0 HG12 VAL A 71 -8.918 -9.117 -2.272 1.00 0.33 H new ATOM 0 HG13 VAL A 71 -9.705 -7.595 -2.750 1.00 0.33 H new ATOM 0 HG21 VAL A 71 -7.221 -5.827 -2.282 1.00 0.41 H new ATOM 0 HG22 VAL A 71 -8.853 -5.398 -1.716 1.00 0.41 H new ATOM 0 HG23 VAL A 71 -7.501 -5.474 -0.560 1.00 0.41 H new ATOM 1113 N ASN A 72 -7.682 -7.713 1.790 1.00 0.19 N ATOM 1114 CA ASN A 72 -6.969 -7.280 2.972 1.00 0.19 C ATOM 1115 C ASN A 72 -5.660 -6.652 2.538 1.00 0.17 C ATOM 1116 O ASN A 72 -4.742 -7.354 2.120 1.00 0.19 O ATOM 1117 CB ASN A 72 -6.700 -8.471 3.897 1.00 0.22 C ATOM 1118 CG ASN A 72 -7.862 -8.772 4.824 1.00 0.31 C ATOM 1119 OD1 ASN A 72 -7.667 -9.116 5.989 1.00 0.53 O ATOM 1120 ND2 ASN A 72 -9.080 -8.651 4.309 1.00 0.63 N ATOM 0 H ASN A 72 -7.416 -8.640 1.457 1.00 0.19 H new ATOM 0 HA ASN A 72 -7.569 -6.553 3.520 1.00 0.19 H new ATOM 0 HB2 ASN A 72 -6.486 -9.353 3.293 1.00 0.22 H new ATOM 0 HB3 ASN A 72 -5.810 -8.268 4.492 1.00 0.22 H new ATOM 0 HD21 ASN A 72 -9.899 -8.846 4.885 1.00 0.63 H new ATOM 0 HD22 ASN A 72 -9.197 -8.363 3.338 1.00 0.63 H new ATOM 1127 N ILE A 73 -5.572 -5.332 2.610 1.00 0.15 N ATOM 1128 CA ILE A 73 -4.363 -4.653 2.187 1.00 0.15 C ATOM 1129 C ILE A 73 -3.455 -4.360 3.369 1.00 0.16 C ATOM 1130 O ILE A 73 -3.641 -3.403 4.129 1.00 0.17 O ATOM 1131 CB ILE A 73 -4.679 -3.352 1.418 1.00 0.14 C ATOM 1132 CG1 ILE A 73 -5.101 -3.687 -0.013 1.00 0.23 C ATOM 1133 CG2 ILE A 73 -3.482 -2.411 1.407 1.00 0.14 C ATOM 1134 CD1 ILE A 73 -4.137 -4.600 -0.737 1.00 1.11 C ATOM 0 H ILE A 73 -6.313 -4.720 2.952 1.00 0.15 H new ATOM 0 HA ILE A 73 -3.840 -5.326 1.508 1.00 0.15 H new ATOM 0 HB ILE A 73 -5.498 -2.844 1.928 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -6.084 -4.157 0.009 1.00 0.23 H new ATOM 0 HG13 ILE A 73 -5.203 -2.760 -0.578 1.00 0.23 H new ATOM 0 HG21 ILE A 73 -3.737 -1.505 0.858 1.00 0.14 H new ATOM 0 HG22 ILE A 73 -3.214 -2.152 2.431 1.00 0.14 H new ATOM 0 HG23 ILE A 73 -2.637 -2.902 0.924 1.00 0.14 H new ATOM 0 HD11 ILE A 73 -4.505 -4.792 -1.745 1.00 1.11 H new ATOM 0 HD12 ILE A 73 -3.158 -4.125 -0.792 1.00 1.11 H new ATOM 0 HD13 ILE A 73 -4.053 -5.543 -0.196 1.00 1.11 H new ATOM 1146 N VAL A 74 -2.453 -5.201 3.491 1.00 0.19 N ATOM 1147 CA VAL A 74 -1.471 -5.071 4.551 1.00 0.24 C ATOM 1148 C VAL A 74 -0.244 -4.350 4.023 1.00 0.20 C ATOM 1149 O VAL A 74 0.584 -4.933 3.321 1.00 0.22 O ATOM 1150 CB VAL A 74 -1.059 -6.438 5.136 1.00 0.33 C ATOM 1151 CG1 VAL A 74 -1.353 -6.487 6.628 1.00 1.25 C ATOM 1152 CG2 VAL A 74 -1.762 -7.579 4.415 1.00 1.44 C ATOM 0 H VAL A 74 -2.294 -5.990 2.865 1.00 0.19 H new ATOM 0 HA VAL A 74 -1.929 -4.495 5.355 1.00 0.24 H new ATOM 0 HB VAL A 74 0.014 -6.559 4.987 1.00 0.33 H new ATOM 0 HG11 VAL A 74 -1.057 -7.458 7.026 1.00 1.25 H new ATOM 0 HG12 VAL A 74 -0.793 -5.701 7.135 1.00 1.25 H new ATOM 0 HG13 VAL A 74 -2.420 -6.337 6.794 1.00 1.25 H new ATOM 0 HG21 VAL A 74 -1.452 -8.530 4.849 1.00 1.44 H new ATOM 0 HG22 VAL A 74 -2.841 -7.466 4.521 1.00 1.44 H new ATOM 0 HG23 VAL A 74 -1.497 -7.559 3.358 1.00 1.44 H new ATOM 1162 N THR A 75 -0.148 -3.072 4.352 1.00 0.20 N ATOM 1163 CA THR A 75 0.963 -2.249 3.901 1.00 0.19 C ATOM 1164 C THR A 75 1.679 -1.615 5.068 1.00 0.22 C ATOM 1165 O THR A 75 1.040 -1.132 6.001 1.00 0.30 O ATOM 1166 CB THR A 75 0.482 -1.117 2.979 1.00 0.19 C ATOM 1167 OG1 THR A 75 -0.752 -1.482 2.360 1.00 0.24 O ATOM 1168 CG2 THR A 75 1.526 -0.804 1.920 1.00 0.35 C ATOM 0 H THR A 75 -0.828 -2.581 4.932 1.00 0.20 H new ATOM 0 HA THR A 75 1.638 -2.911 3.359 1.00 0.19 H new ATOM 0 HB THR A 75 0.328 -0.223 3.583 1.00 0.19 H new ATOM 0 HG1 THR A 75 -1.419 -1.677 3.051 1.00 0.24 H new ATOM 0 HG21 THR A 75 1.164 -0.000 1.279 1.00 0.35 H new ATOM 0 HG22 THR A 75 2.453 -0.494 2.403 1.00 0.35 H new ATOM 0 HG23 THR A 75 1.711 -1.693 1.317 1.00 0.35 H new ATOM 1176 N ASP A 76 3.003 -1.577 5.011 1.00 0.19 N ATOM 1177 CA ASP A 76 3.737 -0.947 6.085 1.00 0.22 C ATOM 1178 C ASP A 76 3.777 0.547 5.826 1.00 0.22 C ATOM 1179 O ASP A 76 4.609 1.035 5.066 1.00 0.24 O ATOM 1180 CB ASP A 76 5.159 -1.508 6.169 1.00 0.26 C ATOM 1181 CG ASP A 76 5.239 -2.962 5.743 1.00 0.32 C ATOM 1182 OD1 ASP A 76 4.276 -3.713 6.010 1.00 0.46 O ATOM 1183 OD2 ASP A 76 6.264 -3.350 5.146 1.00 0.80 O ATOM 0 H ASP A 76 3.571 -1.963 4.256 1.00 0.19 H new ATOM 0 HA ASP A 76 3.242 -1.149 7.035 1.00 0.22 H new ATOM 0 HB2 ASP A 76 5.819 -0.912 5.538 1.00 0.26 H new ATOM 0 HB3 ASP A 76 5.523 -1.412 7.192 1.00 0.26 H new ATOM 1188 N SER A 77 2.867 1.269 6.465 1.00 0.27 N ATOM 1189 CA SER A 77 2.793 2.709 6.297 1.00 0.32 C ATOM 1190 C SER A 77 1.931 3.350 7.366 1.00 0.35 C ATOM 1191 O SER A 77 0.712 3.177 7.368 1.00 0.44 O ATOM 1192 CB SER A 77 2.242 3.054 4.913 1.00 0.40 C ATOM 1193 OG SER A 77 3.287 3.339 4.002 1.00 1.28 O ATOM 0 H SER A 77 2.172 0.880 7.103 1.00 0.27 H new ATOM 0 HA SER A 77 3.804 3.104 6.394 1.00 0.32 H new ATOM 0 HB2 SER A 77 1.646 2.222 4.538 1.00 0.40 H new ATOM 0 HB3 SER A 77 1.577 3.914 4.988 1.00 0.40 H new ATOM 0 HG SER A 77 2.941 3.890 3.269 1.00 1.28 H new ATOM 1199 N GLN A 78 2.543 4.116 8.251 1.00 0.31 N ATOM 1200 CA GLN A 78 1.782 4.794 9.280 1.00 0.34 C ATOM 1201 C GLN A 78 1.224 6.093 8.714 1.00 0.27 C ATOM 1202 O GLN A 78 0.349 6.728 9.307 1.00 0.26 O ATOM 1203 CB GLN A 78 2.634 5.023 10.527 1.00 0.47 C ATOM 1204 CG GLN A 78 2.698 3.797 11.434 1.00 1.04 C ATOM 1205 CD GLN A 78 1.361 3.089 11.562 1.00 1.57 C ATOM 1206 OE1 GLN A 78 0.672 3.214 12.574 1.00 1.97 O ATOM 1207 NE2 GLN A 78 0.990 2.340 10.528 1.00 1.88 N ATOM 0 H GLN A 78 3.549 4.282 8.278 1.00 0.31 H new ATOM 0 HA GLN A 78 0.945 4.169 9.591 1.00 0.34 H new ATOM 0 HB2 GLN A 78 3.644 5.299 10.225 1.00 0.47 H new ATOM 0 HB3 GLN A 78 2.228 5.864 11.089 1.00 0.47 H new ATOM 0 HG2 GLN A 78 3.437 3.099 11.042 1.00 1.04 H new ATOM 0 HG3 GLN A 78 3.039 4.100 12.424 1.00 1.04 H new ATOM 0 HE21 GLN A 78 1.594 2.266 9.709 1.00 1.88 H new ATOM 0 HE22 GLN A 78 0.102 1.840 10.553 1.00 1.88 H new ATOM 1216 N TYR A 79 1.701 6.445 7.519 1.00 0.27 N ATOM 1217 CA TYR A 79 1.219 7.628 6.824 1.00 0.28 C ATOM 1218 C TYR A 79 -0.074 7.264 6.127 1.00 0.23 C ATOM 1219 O TYR A 79 -1.093 7.920 6.314 1.00 0.23 O ATOM 1220 CB TYR A 79 2.237 8.139 5.805 1.00 0.37 C ATOM 1221 CG TYR A 79 2.480 9.631 5.887 1.00 0.59 C ATOM 1222 CD1 TYR A 79 1.427 10.532 5.783 1.00 0.86 C ATOM 1223 CD2 TYR A 79 3.761 10.136 6.066 1.00 0.85 C ATOM 1224 CE1 TYR A 79 1.645 11.894 5.859 1.00 1.07 C ATOM 1225 CE2 TYR A 79 3.987 11.497 6.142 1.00 1.07 C ATOM 1226 CZ TYR A 79 2.926 12.371 6.038 1.00 1.08 C ATOM 1227 OH TYR A 79 3.147 13.727 6.115 1.00 1.33 O ATOM 0 H TYR A 79 2.420 5.925 7.017 1.00 0.27 H new ATOM 0 HA TYR A 79 1.060 8.429 7.546 1.00 0.28 H new ATOM 0 HB2 TYR A 79 3.182 7.617 5.955 1.00 0.37 H new ATOM 0 HB3 TYR A 79 1.891 7.890 4.802 1.00 0.37 H new ATOM 0 HD1 TYR A 79 0.423 10.162 5.641 1.00 0.86 H new ATOM 0 HD2 TYR A 79 4.594 9.454 6.147 1.00 0.85 H new ATOM 0 HE1 TYR A 79 0.816 12.582 5.779 1.00 1.07 H new ATOM 0 HE2 TYR A 79 4.989 11.874 6.282 1.00 1.07 H new ATOM 0 HH TYR A 79 4.104 13.896 6.243 1.00 1.33 H new ATOM 1237 N ALA A 80 -0.038 6.173 5.358 1.00 0.22 N ATOM 1238 CA ALA A 80 -1.232 5.696 4.688 1.00 0.27 C ATOM 1239 C ALA A 80 -2.287 5.424 5.743 1.00 0.24 C ATOM 1240 O ALA A 80 -3.474 5.670 5.545 1.00 0.34 O ATOM 1241 CB ALA A 80 -0.940 4.438 3.885 1.00 0.34 C ATOM 0 H ALA A 80 0.799 5.614 5.190 1.00 0.22 H new ATOM 0 HA ALA A 80 -1.588 6.451 3.987 1.00 0.27 H new ATOM 0 HB1 ALA A 80 -1.852 4.101 3.392 1.00 0.34 H new ATOM 0 HB2 ALA A 80 -0.180 4.654 3.134 1.00 0.34 H new ATOM 0 HB3 ALA A 80 -0.578 3.656 4.553 1.00 0.34 H new ATOM 1247 N LEU A 81 -1.818 4.940 6.887 1.00 0.17 N ATOM 1248 CA LEU A 81 -2.688 4.653 8.013 1.00 0.21 C ATOM 1249 C LEU A 81 -3.495 5.895 8.369 1.00 0.18 C ATOM 1250 O LEU A 81 -4.678 5.813 8.689 1.00 0.24 O ATOM 1251 CB LEU A 81 -1.852 4.196 9.214 1.00 0.26 C ATOM 1252 CG LEU A 81 -2.422 4.547 10.592 1.00 0.85 C ATOM 1253 CD1 LEU A 81 -2.923 3.297 11.299 1.00 1.60 C ATOM 1254 CD2 LEU A 81 -1.370 5.252 11.435 1.00 1.83 C ATOM 0 H LEU A 81 -0.833 4.738 7.056 1.00 0.17 H new ATOM 0 HA LEU A 81 -3.377 3.852 7.743 1.00 0.21 H new ATOM 0 HB2 LEU A 81 -1.729 3.115 9.157 1.00 0.26 H new ATOM 0 HB3 LEU A 81 -0.858 4.635 9.130 1.00 0.26 H new ATOM 0 HG LEU A 81 -3.266 5.223 10.455 1.00 0.85 H new ATOM 0 HD11 LEU A 81 -3.324 3.567 12.276 1.00 1.60 H new ATOM 0 HD12 LEU A 81 -3.706 2.830 10.702 1.00 1.60 H new ATOM 0 HD13 LEU A 81 -2.098 2.596 11.427 1.00 1.60 H new ATOM 0 HD21 LEU A 81 -1.789 5.495 12.411 1.00 1.83 H new ATOM 0 HD22 LEU A 81 -0.508 4.597 11.563 1.00 1.83 H new ATOM 0 HD23 LEU A 81 -1.058 6.169 10.935 1.00 1.83 H new ATOM 1266 N GLY A 82 -2.834 7.046 8.316 1.00 0.13 N ATOM 1267 CA GLY A 82 -3.496 8.296 8.633 1.00 0.16 C ATOM 1268 C GLY A 82 -4.292 8.871 7.473 1.00 0.17 C ATOM 1269 O GLY A 82 -5.420 9.328 7.661 1.00 0.20 O ATOM 0 H GLY A 82 -1.851 7.135 8.059 1.00 0.13 H new ATOM 0 HA2 GLY A 82 -4.164 8.140 9.480 1.00 0.16 H new ATOM 0 HA3 GLY A 82 -2.749 9.025 8.947 1.00 0.16 H new ATOM 1273 N ILE A 83 -3.702 8.880 6.273 1.00 0.17 N ATOM 1274 CA ILE A 83 -4.375 9.439 5.103 1.00 0.19 C ATOM 1275 C ILE A 83 -5.212 8.401 4.355 1.00 0.20 C ATOM 1276 O ILE A 83 -6.422 8.559 4.222 1.00 0.22 O ATOM 1277 CB ILE A 83 -3.360 10.055 4.115 1.00 0.24 C ATOM 1278 CG1 ILE A 83 -2.040 10.408 4.819 1.00 0.33 C ATOM 1279 CG2 ILE A 83 -3.955 11.284 3.445 1.00 0.44 C ATOM 1280 CD1 ILE A 83 -2.180 11.472 5.890 1.00 1.30 C ATOM 0 H ILE A 83 -2.769 8.510 6.090 1.00 0.17 H new ATOM 0 HA ILE A 83 -5.041 10.213 5.486 1.00 0.19 H new ATOM 0 HB ILE A 83 -3.139 9.311 3.350 1.00 0.24 H new ATOM 0 HG12 ILE A 83 -1.627 9.505 5.269 1.00 0.33 H new ATOM 0 HG13 ILE A 83 -1.322 10.749 4.073 1.00 0.33 H new ATOM 0 HG21 ILE A 83 -3.229 11.708 2.751 1.00 0.44 H new ATOM 0 HG22 ILE A 83 -4.855 11.001 2.900 1.00 0.44 H new ATOM 0 HG23 ILE A 83 -4.208 12.025 4.203 1.00 0.44 H new ATOM 0 HD11 ILE A 83 -1.206 11.666 6.340 1.00 1.30 H new ATOM 0 HD12 ILE A 83 -2.562 12.390 5.443 1.00 1.30 H new ATOM 0 HD13 ILE A 83 -2.872 11.126 6.658 1.00 1.30 H new ATOM 1292 N ILE A 84 -4.557 7.352 3.857 1.00 0.19 N ATOM 1293 CA ILE A 84 -5.233 6.293 3.100 1.00 0.21 C ATOM 1294 C ILE A 84 -6.420 5.705 3.860 1.00 0.26 C ATOM 1295 O ILE A 84 -7.325 5.127 3.256 1.00 0.35 O ATOM 1296 CB ILE A 84 -4.248 5.172 2.679 1.00 0.23 C ATOM 1297 CG1 ILE A 84 -4.355 4.913 1.166 1.00 0.26 C ATOM 1298 CG2 ILE A 84 -4.489 3.891 3.469 1.00 0.40 C ATOM 1299 CD1 ILE A 84 -5.633 4.213 0.747 1.00 0.58 C ATOM 0 H ILE A 84 -3.553 7.211 3.964 1.00 0.19 H new ATOM 0 HA ILE A 84 -5.621 6.763 2.196 1.00 0.21 H new ATOM 0 HB ILE A 84 -3.236 5.507 2.906 1.00 0.23 H new ATOM 0 HG12 ILE A 84 -4.285 5.865 0.639 1.00 0.26 H new ATOM 0 HG13 ILE A 84 -3.503 4.311 0.850 1.00 0.26 H new ATOM 0 HG21 ILE A 84 -3.781 3.127 3.148 1.00 0.40 H new ATOM 0 HG22 ILE A 84 -4.353 4.088 4.532 1.00 0.40 H new ATOM 0 HG23 ILE A 84 -5.506 3.541 3.292 1.00 0.40 H new ATOM 0 HD11 ILE A 84 -5.631 4.068 -0.333 1.00 0.58 H new ATOM 0 HD12 ILE A 84 -5.697 3.245 1.243 1.00 0.58 H new ATOM 0 HD13 ILE A 84 -6.491 4.823 1.029 1.00 0.58 H new ATOM 1311 N GLN A 85 -6.427 5.862 5.179 1.00 0.27 N ATOM 1312 CA GLN A 85 -7.523 5.350 5.995 1.00 0.31 C ATOM 1313 C GLN A 85 -8.608 6.408 6.153 1.00 0.32 C ATOM 1314 O GLN A 85 -9.762 6.096 6.443 1.00 0.40 O ATOM 1315 CB GLN A 85 -7.013 4.915 7.368 1.00 0.33 C ATOM 1316 CG GLN A 85 -8.029 4.118 8.169 1.00 0.49 C ATOM 1317 CD GLN A 85 -7.658 4.002 9.635 1.00 0.60 C ATOM 1318 OE1 GLN A 85 -7.154 4.950 10.237 1.00 1.11 O ATOM 1319 NE2 GLN A 85 -7.908 2.835 10.217 1.00 0.86 N ATOM 0 H GLN A 85 -5.692 6.336 5.704 1.00 0.27 H new ATOM 0 HA GLN A 85 -7.948 4.483 5.490 1.00 0.31 H new ATOM 0 HB2 GLN A 85 -6.113 4.314 7.238 1.00 0.33 H new ATOM 0 HB3 GLN A 85 -6.727 5.799 7.937 1.00 0.33 H new ATOM 0 HG2 GLN A 85 -9.007 4.592 8.082 1.00 0.49 H new ATOM 0 HG3 GLN A 85 -8.120 3.120 7.741 1.00 0.49 H new ATOM 0 HE21 GLN A 85 -8.327 2.076 9.679 1.00 0.86 H new ATOM 0 HE22 GLN A 85 -7.681 2.697 11.202 1.00 0.86 H new ATOM 1328 N ALA A 86 -8.220 7.664 5.962 1.00 0.30 N ATOM 1329 CA ALA A 86 -9.143 8.785 6.082 1.00 0.33 C ATOM 1330 C ALA A 86 -9.669 9.227 4.726 1.00 0.33 C ATOM 1331 O ALA A 86 -9.688 10.423 4.431 1.00 0.52 O ATOM 1332 CB ALA A 86 -8.469 9.948 6.792 1.00 0.38 C ATOM 0 H ALA A 86 -7.266 7.932 5.722 1.00 0.30 H new ATOM 0 HA ALA A 86 -9.995 8.451 6.674 1.00 0.33 H new ATOM 0 HB1 ALA A 86 -9.170 10.779 6.875 1.00 0.38 H new ATOM 0 HB2 ALA A 86 -8.158 9.635 7.789 1.00 0.38 H new ATOM 0 HB3 ALA A 86 -7.596 10.265 6.222 1.00 0.38 H new ATOM 1338 N GLN A 87 -10.106 8.259 3.912 1.00 0.31 N ATOM 1339 CA GLN A 87 -10.639 8.560 2.585 1.00 0.31 C ATOM 1340 C GLN A 87 -9.873 9.724 1.992 1.00 0.31 C ATOM 1341 O GLN A 87 -10.403 10.826 1.848 1.00 0.35 O ATOM 1342 CB GLN A 87 -12.130 8.887 2.668 1.00 0.37 C ATOM 1343 CG GLN A 87 -12.940 7.837 3.410 1.00 0.71 C ATOM 1344 CD GLN A 87 -13.229 8.228 4.846 1.00 0.99 C ATOM 1345 OE1 GLN A 87 -14.362 8.559 5.196 1.00 1.63 O ATOM 1346 NE2 GLN A 87 -12.201 8.196 5.689 1.00 1.08 N ATOM 0 H GLN A 87 -10.100 7.267 4.150 1.00 0.31 H new ATOM 0 HA GLN A 87 -10.521 7.687 1.943 1.00 0.31 H new ATOM 0 HB2 GLN A 87 -12.256 9.849 3.164 1.00 0.37 H new ATOM 0 HB3 GLN A 87 -12.527 8.995 1.659 1.00 0.37 H new ATOM 0 HG2 GLN A 87 -13.882 7.673 2.886 1.00 0.71 H new ATOM 0 HG3 GLN A 87 -12.399 6.891 3.397 1.00 0.71 H new ATOM 0 HE21 GLN A 87 -11.278 7.916 5.357 1.00 1.08 H new ATOM 0 HE22 GLN A 87 -12.335 8.452 6.667 1.00 1.08 H new ATOM 1355 N PRO A 88 -8.592 9.501 1.669 1.00 0.29 N ATOM 1356 CA PRO A 88 -7.736 10.537 1.126 1.00 0.31 C ATOM 1357 C PRO A 88 -7.916 10.706 -0.376 1.00 0.42 C ATOM 1358 O PRO A 88 -6.964 11.009 -1.084 1.00 0.99 O ATOM 1359 CB PRO A 88 -6.351 10.002 1.432 1.00 0.37 C ATOM 1360 CG PRO A 88 -6.509 8.545 1.236 1.00 0.31 C ATOM 1361 CD PRO A 88 -7.862 8.225 1.821 1.00 0.27 C ATOM 0 HA PRO A 88 -7.946 11.520 1.548 1.00 0.31 H new ATOM 0 HB2 PRO A 88 -5.599 10.420 0.763 1.00 0.37 H new ATOM 0 HB3 PRO A 88 -6.041 10.242 2.449 1.00 0.37 H new ATOM 0 HG2 PRO A 88 -6.461 8.280 0.180 1.00 0.31 H new ATOM 0 HG3 PRO A 88 -5.718 7.989 1.740 1.00 0.31 H new ATOM 0 HD2 PRO A 88 -8.352 7.412 1.286 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -7.790 7.922 2.865 1.00 0.27 H new ATOM 1369 N ASP A 89 -9.139 10.491 -0.858 1.00 0.52 N ATOM 1370 CA ASP A 89 -9.438 10.608 -2.287 1.00 0.49 C ATOM 1371 C ASP A 89 -8.961 11.943 -2.848 1.00 0.46 C ATOM 1372 O ASP A 89 -8.931 12.144 -4.062 1.00 0.46 O ATOM 1373 CB ASP A 89 -10.941 10.456 -2.531 1.00 0.51 C ATOM 1374 CG ASP A 89 -11.264 10.161 -3.982 1.00 1.49 C ATOM 1375 OD1 ASP A 89 -10.572 9.312 -4.583 1.00 2.17 O ATOM 1376 OD2 ASP A 89 -12.207 10.780 -4.519 1.00 1.87 O ATOM 0 H ASP A 89 -9.940 10.235 -0.281 1.00 0.52 H new ATOM 0 HA ASP A 89 -8.904 9.809 -2.801 1.00 0.49 H new ATOM 0 HB2 ASP A 89 -11.329 9.652 -1.905 1.00 0.51 H new ATOM 0 HB3 ASP A 89 -11.450 11.371 -2.227 1.00 0.51 H new ATOM 1381 N GLN A 90 -8.602 12.856 -1.954 1.00 0.47 N ATOM 1382 CA GLN A 90 -8.141 14.179 -2.348 1.00 0.48 C ATOM 1383 C GLN A 90 -7.470 14.885 -1.176 1.00 0.47 C ATOM 1384 O GLN A 90 -7.372 16.112 -1.151 1.00 0.54 O ATOM 1385 CB GLN A 90 -9.322 15.016 -2.846 1.00 0.51 C ATOM 1386 CG GLN A 90 -10.465 15.118 -1.851 1.00 0.68 C ATOM 1387 CD GLN A 90 -11.180 13.794 -1.631 1.00 0.76 C ATOM 1388 OE1 GLN A 90 -12.105 13.447 -2.366 1.00 1.67 O ATOM 1389 NE2 GLN A 90 -10.754 13.047 -0.614 1.00 0.58 N ATOM 0 H GLN A 90 -8.622 12.702 -0.946 1.00 0.47 H new ATOM 0 HA GLN A 90 -7.413 14.065 -3.151 1.00 0.48 H new ATOM 0 HB2 GLN A 90 -8.969 16.020 -3.084 1.00 0.51 H new ATOM 0 HB3 GLN A 90 -9.697 14.582 -3.773 1.00 0.51 H new ATOM 0 HG2 GLN A 90 -10.079 15.479 -0.898 1.00 0.68 H new ATOM 0 HG3 GLN A 90 -11.183 15.858 -2.205 1.00 0.68 H new ATOM 0 HE21 GLN A 90 -9.984 13.372 -0.030 1.00 0.58 H new ATOM 0 HE22 GLN A 90 -11.198 12.149 -0.420 1.00 0.58 H new ATOM 1398 N SER A 91 -7.024 14.104 -0.196 1.00 0.41 N ATOM 1399 CA SER A 91 -6.381 14.662 0.988 1.00 0.42 C ATOM 1400 C SER A 91 -4.911 14.261 1.088 1.00 0.37 C ATOM 1401 O SER A 91 -4.559 13.090 0.943 1.00 0.33 O ATOM 1402 CB SER A 91 -7.124 14.216 2.248 1.00 0.45 C ATOM 1403 OG SER A 91 -7.602 15.330 2.982 1.00 1.34 O ATOM 0 H SER A 91 -7.096 13.087 -0.199 1.00 0.41 H new ATOM 0 HA SER A 91 -6.423 15.747 0.898 1.00 0.42 H new ATOM 0 HB2 SER A 91 -7.960 13.573 1.972 1.00 0.45 H new ATOM 0 HB3 SER A 91 -6.459 13.622 2.875 1.00 0.45 H new ATOM 0 HG SER A 91 -8.074 15.017 3.781 1.00 1.34 H new ATOM 1409 N GLU A 92 -4.067 15.253 1.362 1.00 0.43 N ATOM 1410 CA GLU A 92 -2.630 15.046 1.520 1.00 0.41 C ATOM 1411 C GLU A 92 -2.008 14.291 0.340 1.00 0.37 C ATOM 1412 O GLU A 92 -2.073 14.747 -0.802 1.00 0.41 O ATOM 1413 CB GLU A 92 -2.346 14.313 2.833 1.00 0.38 C ATOM 1414 CG GLU A 92 -1.051 14.744 3.503 1.00 0.43 C ATOM 1415 CD GLU A 92 -1.280 15.651 4.697 1.00 0.98 C ATOM 1416 OE1 GLU A 92 -2.453 15.853 5.075 1.00 1.38 O ATOM 1417 OE2 GLU A 92 -0.284 16.158 5.256 1.00 1.49 O ATOM 0 H GLU A 92 -4.360 16.223 1.481 1.00 0.43 H new ATOM 0 HA GLU A 92 -2.164 16.031 1.544 1.00 0.41 H new ATOM 0 HB2 GLU A 92 -3.175 14.482 3.520 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -2.306 13.241 2.640 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -0.502 13.859 3.825 1.00 0.43 H new ATOM 0 HG3 GLU A 92 -0.425 15.260 2.775 1.00 0.43 H new ATOM 1424 N SER A 93 -1.379 13.149 0.639 1.00 0.31 N ATOM 1425 CA SER A 93 -0.707 12.323 -0.367 1.00 0.29 C ATOM 1426 C SER A 93 -1.470 12.280 -1.693 1.00 0.26 C ATOM 1427 O SER A 93 -2.699 12.257 -1.718 1.00 0.26 O ATOM 1428 CB SER A 93 -0.512 10.902 0.175 1.00 0.28 C ATOM 1429 OG SER A 93 -0.606 9.939 -0.860 1.00 1.05 O ATOM 0 H SER A 93 -1.322 12.773 1.585 1.00 0.31 H new ATOM 0 HA SER A 93 0.262 12.779 -0.570 1.00 0.29 H new ATOM 0 HB2 SER A 93 0.462 10.825 0.659 1.00 0.28 H new ATOM 0 HB3 SER A 93 -1.263 10.695 0.937 1.00 0.28 H new ATOM 0 HG SER A 93 -0.017 9.182 -0.657 1.00 1.05 H new ATOM 1435 N GLU A 94 -0.719 12.271 -2.797 1.00 0.27 N ATOM 1436 CA GLU A 94 -1.311 12.224 -4.132 1.00 0.25 C ATOM 1437 C GLU A 94 -1.636 10.786 -4.528 1.00 0.22 C ATOM 1438 O GLU A 94 -2.646 10.521 -5.183 1.00 0.21 O ATOM 1439 CB GLU A 94 -0.369 12.852 -5.166 1.00 0.29 C ATOM 1440 CG GLU A 94 1.089 12.448 -5.001 1.00 1.17 C ATOM 1441 CD GLU A 94 1.864 13.406 -4.116 1.00 2.09 C ATOM 1442 OE1 GLU A 94 1.469 14.588 -4.029 1.00 2.12 O ATOM 1443 OE2 GLU A 94 2.866 12.972 -3.509 1.00 3.06 O ATOM 0 H GLU A 94 0.301 12.296 -2.791 1.00 0.27 H new ATOM 0 HA GLU A 94 -2.237 12.798 -4.109 1.00 0.25 H new ATOM 0 HB2 GLU A 94 -0.703 12.570 -6.165 1.00 0.29 H new ATOM 0 HB3 GLU A 94 -0.444 13.937 -5.099 1.00 0.29 H new ATOM 0 HG2 GLU A 94 1.138 11.446 -4.576 1.00 1.17 H new ATOM 0 HG3 GLU A 94 1.562 12.402 -5.982 1.00 1.17 H new ATOM 1450 N LEU A 95 -0.772 9.862 -4.123 1.00 0.26 N ATOM 1451 CA LEU A 95 -0.960 8.448 -4.426 1.00 0.28 C ATOM 1452 C LEU A 95 -2.299 7.968 -3.908 1.00 0.25 C ATOM 1453 O LEU A 95 -3.095 7.382 -4.642 1.00 0.28 O ATOM 1454 CB LEU A 95 0.138 7.618 -3.776 1.00 0.34 C ATOM 1455 CG LEU A 95 1.531 8.252 -3.790 1.00 0.76 C ATOM 1456 CD1 LEU A 95 2.556 7.295 -3.207 1.00 1.74 C ATOM 1457 CD2 LEU A 95 1.925 8.652 -5.205 1.00 1.01 C ATOM 0 H LEU A 95 0.068 10.068 -3.582 1.00 0.26 H new ATOM 0 HA LEU A 95 -0.922 8.329 -5.509 1.00 0.28 H new ATOM 0 HB2 LEU A 95 -0.143 7.420 -2.742 1.00 0.34 H new ATOM 0 HB3 LEU A 95 0.190 6.654 -4.282 1.00 0.34 H new ATOM 0 HG LEU A 95 1.504 9.150 -3.173 1.00 0.76 H new ATOM 0 HD11 LEU A 95 3.541 7.762 -3.225 1.00 1.74 H new ATOM 0 HD12 LEU A 95 2.286 7.055 -2.178 1.00 1.74 H new ATOM 0 HD13 LEU A 95 2.577 6.380 -3.799 1.00 1.74 H new ATOM 0 HD21 LEU A 95 2.918 9.101 -5.193 1.00 1.01 H new ATOM 0 HD22 LEU A 95 1.933 7.769 -5.844 1.00 1.01 H new ATOM 0 HD23 LEU A 95 1.206 9.373 -5.593 1.00 1.01 H new ATOM 1469 N VAL A 96 -2.528 8.218 -2.627 1.00 0.23 N ATOM 1470 CA VAL A 96 -3.758 7.815 -1.974 1.00 0.23 C ATOM 1471 C VAL A 96 -4.972 8.306 -2.750 1.00 0.25 C ATOM 1472 O VAL A 96 -6.049 7.719 -2.665 1.00 0.30 O ATOM 1473 CB VAL A 96 -3.816 8.361 -0.539 1.00 0.23 C ATOM 1474 CG1 VAL A 96 -2.689 7.785 0.303 1.00 0.33 C ATOM 1475 CG2 VAL A 96 -3.758 9.878 -0.544 1.00 0.31 C ATOM 0 H VAL A 96 -1.869 8.703 -2.017 1.00 0.23 H new ATOM 0 HA VAL A 96 -3.773 6.726 -1.944 1.00 0.23 H new ATOM 0 HB VAL A 96 -4.763 8.054 -0.095 1.00 0.23 H new ATOM 0 HG11 VAL A 96 -2.750 8.185 1.315 1.00 0.33 H new ATOM 0 HG12 VAL A 96 -2.778 6.699 0.336 1.00 0.33 H new ATOM 0 HG13 VAL A 96 -1.730 8.057 -0.138 1.00 0.33 H new ATOM 0 HG21 VAL A 96 -3.800 10.247 0.481 1.00 0.31 H new ATOM 0 HG22 VAL A 96 -2.828 10.205 -1.009 1.00 0.31 H new ATOM 0 HG23 VAL A 96 -4.604 10.273 -1.107 1.00 0.31 H new ATOM 1485 N ASN A 97 -4.791 9.376 -3.519 1.00 0.23 N ATOM 1486 CA ASN A 97 -5.879 9.922 -4.318 1.00 0.25 C ATOM 1487 C ASN A 97 -6.238 8.951 -5.439 1.00 0.25 C ATOM 1488 O ASN A 97 -7.412 8.687 -5.698 1.00 0.30 O ATOM 1489 CB ASN A 97 -5.493 11.278 -4.923 1.00 0.27 C ATOM 1490 CG ASN A 97 -5.260 12.363 -3.884 1.00 0.46 C ATOM 1491 OD1 ASN A 97 -4.999 13.515 -4.229 1.00 0.85 O ATOM 1492 ND2 ASN A 97 -5.352 12.007 -2.609 1.00 0.44 N ATOM 0 H ASN A 97 -3.907 9.878 -3.604 1.00 0.23 H new ATOM 0 HA ASN A 97 -6.739 10.066 -3.664 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -4.588 11.157 -5.519 1.00 0.27 H new ATOM 0 HB3 ASN A 97 -6.281 11.601 -5.603 1.00 0.27 H new ATOM 0 HD21 ASN A 97 -5.204 12.699 -1.874 1.00 0.44 H new ATOM 0 HD22 ASN A 97 -5.570 11.041 -2.364 1.00 0.44 H new ATOM 1499 N GLN A 98 -5.208 8.427 -6.099 1.00 0.25 N ATOM 1500 CA GLN A 98 -5.396 7.485 -7.197 1.00 0.27 C ATOM 1501 C GLN A 98 -5.791 6.102 -6.681 1.00 0.28 C ATOM 1502 O GLN A 98 -6.517 5.366 -7.349 1.00 0.32 O ATOM 1503 CB GLN A 98 -4.117 7.385 -8.032 1.00 0.31 C ATOM 1504 CG GLN A 98 -4.237 6.450 -9.225 1.00 0.62 C ATOM 1505 CD GLN A 98 -4.520 7.187 -10.520 1.00 1.03 C ATOM 1506 OE1 GLN A 98 -4.010 8.285 -10.748 1.00 1.85 O ATOM 1507 NE2 GLN A 98 -5.339 6.586 -11.376 1.00 1.52 N ATOM 0 H GLN A 98 -4.232 8.640 -5.891 1.00 0.25 H new ATOM 0 HA GLN A 98 -6.207 7.858 -7.823 1.00 0.27 H new ATOM 0 HB2 GLN A 98 -3.847 8.380 -8.387 1.00 0.31 H new ATOM 0 HB3 GLN A 98 -3.303 7.042 -7.394 1.00 0.31 H new ATOM 0 HG2 GLN A 98 -3.313 5.881 -9.330 1.00 0.62 H new ATOM 0 HG3 GLN A 98 -5.035 5.731 -9.039 1.00 0.62 H new ATOM 0 HE21 GLN A 98 -5.739 5.676 -11.146 1.00 1.52 H new ATOM 0 HE22 GLN A 98 -5.568 7.034 -12.263 1.00 1.52 H new ATOM 1516 N ILE A 99 -5.316 5.756 -5.488 1.00 0.28 N ATOM 1517 CA ILE A 99 -5.626 4.463 -4.890 1.00 0.32 C ATOM 1518 C ILE A 99 -7.080 4.413 -4.450 1.00 0.32 C ATOM 1519 O ILE A 99 -7.809 3.480 -4.783 1.00 0.43 O ATOM 1520 CB ILE A 99 -4.728 4.169 -3.673 1.00 0.36 C ATOM 1521 CG1 ILE A 99 -3.279 3.966 -4.113 1.00 0.35 C ATOM 1522 CG2 ILE A 99 -5.232 2.944 -2.922 1.00 0.48 C ATOM 1523 CD1 ILE A 99 -2.285 4.741 -3.278 1.00 0.43 C ATOM 0 H ILE A 99 -4.716 6.352 -4.918 1.00 0.28 H new ATOM 0 HA ILE A 99 -5.442 3.707 -5.653 1.00 0.32 H new ATOM 0 HB ILE A 99 -4.768 5.027 -3.001 1.00 0.36 H new ATOM 0 HG12 ILE A 99 -3.036 2.905 -4.061 1.00 0.35 H new ATOM 0 HG13 ILE A 99 -3.178 4.266 -5.156 1.00 0.35 H new ATOM 0 HG21 ILE A 99 -4.586 2.751 -2.066 1.00 0.48 H new ATOM 0 HG22 ILE A 99 -6.250 3.123 -2.576 1.00 0.48 H new ATOM 0 HG23 ILE A 99 -5.221 2.080 -3.586 1.00 0.48 H new ATOM 0 HD11 ILE A 99 -1.276 4.551 -3.644 1.00 0.43 H new ATOM 0 HD12 ILE A 99 -2.503 5.807 -3.349 1.00 0.43 H new ATOM 0 HD13 ILE A 99 -2.359 4.424 -2.238 1.00 0.43 H new ATOM 1535 N ILE A 100 -7.487 5.425 -3.695 1.00 0.28 N ATOM 1536 CA ILE A 100 -8.850 5.510 -3.197 1.00 0.30 C ATOM 1537 C ILE A 100 -9.852 5.369 -4.327 1.00 0.28 C ATOM 1538 O ILE A 100 -10.768 4.555 -4.251 1.00 0.29 O ATOM 1539 CB ILE A 100 -9.105 6.843 -2.473 1.00 0.33 C ATOM 1540 CG1 ILE A 100 -8.425 6.853 -1.100 1.00 0.35 C ATOM 1541 CG2 ILE A 100 -10.600 7.089 -2.344 1.00 0.37 C ATOM 1542 CD1 ILE A 100 -8.675 5.608 -0.270 1.00 0.32 C ATOM 0 H ILE A 100 -6.888 6.201 -3.414 1.00 0.28 H new ATOM 0 HA ILE A 100 -8.978 4.690 -2.490 1.00 0.30 H new ATOM 0 HB ILE A 100 -8.673 7.651 -3.063 1.00 0.33 H new ATOM 0 HG12 ILE A 100 -7.351 6.972 -1.241 1.00 0.35 H new ATOM 0 HG13 ILE A 100 -8.772 7.723 -0.542 1.00 0.35 H new ATOM 0 HG21 ILE A 100 -10.770 8.035 -1.830 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -11.049 7.129 -3.336 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -11.054 6.279 -1.773 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -8.158 5.698 0.685 1.00 0.32 H new ATOM 0 HD12 ILE A 100 -9.745 5.496 -0.095 1.00 0.32 H new ATOM 0 HD13 ILE A 100 -8.302 4.734 -0.804 1.00 0.32 H new ATOM 1554 N GLU A 101 -9.674 6.169 -5.368 1.00 0.28 N ATOM 1555 CA GLU A 101 -10.568 6.126 -6.512 1.00 0.27 C ATOM 1556 C GLU A 101 -10.698 4.693 -7.010 1.00 0.25 C ATOM 1557 O GLU A 101 -11.790 4.236 -7.359 1.00 0.23 O ATOM 1558 CB GLU A 101 -10.050 7.038 -7.624 1.00 0.31 C ATOM 1559 CG GLU A 101 -10.713 8.406 -7.637 1.00 0.42 C ATOM 1560 CD GLU A 101 -11.142 8.832 -9.027 1.00 0.54 C ATOM 1561 OE1 GLU A 101 -12.004 8.147 -9.619 1.00 0.93 O ATOM 1562 OE2 GLU A 101 -10.617 9.849 -9.526 1.00 1.09 O ATOM 0 H GLU A 101 -8.921 6.853 -5.443 1.00 0.28 H new ATOM 0 HA GLU A 101 -11.553 6.483 -6.210 1.00 0.27 H new ATOM 0 HB2 GLU A 101 -8.974 7.165 -7.509 1.00 0.31 H new ATOM 0 HB3 GLU A 101 -10.213 6.554 -8.587 1.00 0.31 H new ATOM 0 HG2 GLU A 101 -11.583 8.390 -6.981 1.00 0.42 H new ATOM 0 HG3 GLU A 101 -10.022 9.145 -7.232 1.00 0.42 H new ATOM 1569 N GLN A 102 -9.577 3.976 -7.014 1.00 0.27 N ATOM 1570 CA GLN A 102 -9.570 2.587 -7.441 1.00 0.28 C ATOM 1571 C GLN A 102 -10.247 1.717 -6.392 1.00 0.26 C ATOM 1572 O GLN A 102 -10.820 0.674 -6.705 1.00 0.28 O ATOM 1573 CB GLN A 102 -8.138 2.105 -7.685 1.00 0.35 C ATOM 1574 CG GLN A 102 -7.714 2.159 -9.144 1.00 0.56 C ATOM 1575 CD GLN A 102 -8.009 3.498 -9.791 1.00 0.85 C ATOM 1576 OE1 GLN A 102 -7.171 4.400 -9.791 1.00 1.85 O ATOM 1577 NE2 GLN A 102 -9.206 3.635 -10.349 1.00 0.67 N ATOM 0 H GLN A 102 -8.667 4.336 -6.727 1.00 0.27 H new ATOM 0 HA GLN A 102 -10.122 2.508 -8.377 1.00 0.28 H new ATOM 0 HB2 GLN A 102 -7.454 2.714 -7.094 1.00 0.35 H new ATOM 0 HB3 GLN A 102 -8.043 1.080 -7.326 1.00 0.35 H new ATOM 0 HG2 GLN A 102 -6.646 1.953 -9.215 1.00 0.56 H new ATOM 0 HG3 GLN A 102 -8.228 1.372 -9.697 1.00 0.56 H new ATOM 0 HE21 GLN A 102 -9.871 2.862 -10.326 1.00 0.67 H new ATOM 0 HE22 GLN A 102 -9.461 4.514 -10.800 1.00 0.67 H new ATOM 1586 N LEU A 103 -10.192 2.173 -5.147 1.00 0.26 N ATOM 1587 CA LEU A 103 -10.815 1.461 -4.044 1.00 0.25 C ATOM 1588 C LEU A 103 -12.326 1.640 -4.107 1.00 0.26 C ATOM 1589 O LEU A 103 -13.082 0.766 -3.699 1.00 0.37 O ATOM 1590 CB LEU A 103 -10.268 1.972 -2.706 1.00 0.29 C ATOM 1591 CG LEU A 103 -10.918 1.378 -1.451 1.00 0.41 C ATOM 1592 CD1 LEU A 103 -10.887 -0.142 -1.490 1.00 1.37 C ATOM 1593 CD2 LEU A 103 -10.212 1.887 -0.203 1.00 1.02 C ATOM 0 H LEU A 103 -9.720 3.036 -4.878 1.00 0.26 H new ATOM 0 HA LEU A 103 -10.582 0.399 -4.126 1.00 0.25 H new ATOM 0 HB2 LEU A 103 -9.198 1.767 -2.670 1.00 0.29 H new ATOM 0 HB3 LEU A 103 -10.386 3.055 -2.676 1.00 0.29 H new ATOM 0 HG LEU A 103 -11.960 1.696 -1.423 1.00 0.41 H new ATOM 0 HD11 LEU A 103 -11.354 -0.539 -0.589 1.00 1.37 H new ATOM 0 HD12 LEU A 103 -11.431 -0.495 -2.366 1.00 1.37 H new ATOM 0 HD13 LEU A 103 -9.853 -0.484 -1.543 1.00 1.37 H new ATOM 0 HD21 LEU A 103 -10.683 1.458 0.682 1.00 1.02 H new ATOM 0 HD22 LEU A 103 -9.163 1.594 -0.234 1.00 1.02 H new ATOM 0 HD23 LEU A 103 -10.284 2.974 -0.162 1.00 1.02 H new ATOM 1605 N ILE A 104 -12.755 2.780 -4.639 1.00 0.26 N ATOM 1606 CA ILE A 104 -14.174 3.079 -4.776 1.00 0.30 C ATOM 1607 C ILE A 104 -14.847 2.086 -5.703 1.00 0.28 C ATOM 1608 O ILE A 104 -15.953 1.616 -5.434 1.00 0.34 O ATOM 1609 CB ILE A 104 -14.400 4.494 -5.336 1.00 0.37 C ATOM 1610 CG1 ILE A 104 -13.671 5.531 -4.476 1.00 0.37 C ATOM 1611 CG2 ILE A 104 -15.889 4.801 -5.406 1.00 0.45 C ATOM 1612 CD1 ILE A 104 -13.739 6.938 -5.031 1.00 0.43 C ATOM 0 H ILE A 104 -12.136 3.514 -4.983 1.00 0.26 H new ATOM 0 HA ILE A 104 -14.608 3.012 -3.778 1.00 0.30 H new ATOM 0 HB ILE A 104 -13.992 4.541 -6.346 1.00 0.37 H new ATOM 0 HG12 ILE A 104 -14.099 5.524 -3.474 1.00 0.37 H new ATOM 0 HG13 ILE A 104 -12.626 5.239 -4.378 1.00 0.37 H new ATOM 0 HG21 ILE A 104 -16.035 5.805 -5.804 1.00 0.45 H new ATOM 0 HG22 ILE A 104 -16.379 4.078 -6.057 1.00 0.45 H new ATOM 0 HG23 ILE A 104 -16.320 4.740 -4.407 1.00 0.45 H new ATOM 0 HD11 ILE A 104 -13.201 7.617 -4.369 1.00 0.43 H new ATOM 0 HD12 ILE A 104 -13.284 6.961 -6.021 1.00 0.43 H new ATOM 0 HD13 ILE A 104 -14.781 7.251 -5.103 1.00 0.43 H new ATOM 1624 N LYS A 105 -14.176 1.778 -6.802 1.00 0.24 N ATOM 1625 CA LYS A 105 -14.712 0.848 -7.779 1.00 0.29 C ATOM 1626 C LYS A 105 -14.651 -0.595 -7.275 1.00 0.29 C ATOM 1627 O LYS A 105 -14.822 -1.533 -8.055 1.00 0.31 O ATOM 1628 CB LYS A 105 -13.963 0.988 -9.108 1.00 0.36 C ATOM 1629 CG LYS A 105 -12.601 0.314 -9.127 1.00 0.53 C ATOM 1630 CD LYS A 105 -12.188 -0.066 -10.541 1.00 0.62 C ATOM 1631 CE LYS A 105 -10.801 -0.688 -10.569 1.00 1.05 C ATOM 1632 NZ LYS A 105 -10.644 -1.740 -9.528 1.00 1.65 N ATOM 0 H LYS A 105 -13.260 2.159 -7.038 1.00 0.24 H new ATOM 0 HA LYS A 105 -15.762 1.095 -7.937 1.00 0.29 H new ATOM 0 HB2 LYS A 105 -14.576 0.566 -9.904 1.00 0.36 H new ATOM 0 HB3 LYS A 105 -13.835 2.047 -9.331 1.00 0.36 H new ATOM 0 HG2 LYS A 105 -11.856 0.984 -8.697 1.00 0.53 H new ATOM 0 HG3 LYS A 105 -12.627 -0.578 -8.502 1.00 0.53 H new ATOM 0 HD2 LYS A 105 -12.911 -0.768 -10.956 1.00 0.62 H new ATOM 0 HD3 LYS A 105 -12.203 0.820 -11.176 1.00 0.62 H new ATOM 0 HE2 LYS A 105 -10.617 -1.120 -11.553 1.00 1.05 H new ATOM 0 HE3 LYS A 105 -10.052 0.089 -10.416 1.00 1.05 H new ATOM 0 HZ1 LYS A 105 -9.929 -2.430 -9.836 1.00 1.65 H new ATOM 0 HZ2 LYS A 105 -10.340 -1.302 -8.635 1.00 1.65 H new ATOM 0 HZ3 LYS A 105 -11.553 -2.225 -9.384 1.00 1.65 H new ATOM 1646 N LYS A 106 -14.423 -0.778 -5.970 1.00 0.29 N ATOM 1647 CA LYS A 106 -14.364 -2.124 -5.405 1.00 0.32 C ATOM 1648 C LYS A 106 -15.160 -2.223 -4.101 1.00 0.35 C ATOM 1649 O LYS A 106 -15.975 -1.354 -3.792 1.00 0.56 O ATOM 1650 CB LYS A 106 -12.911 -2.576 -5.208 1.00 0.30 C ATOM 1651 CG LYS A 106 -12.213 -1.969 -4.004 1.00 0.38 C ATOM 1652 CD LYS A 106 -10.834 -2.580 -3.803 1.00 0.52 C ATOM 1653 CE LYS A 106 -9.773 -1.851 -4.613 1.00 0.68 C ATOM 1654 NZ LYS A 106 -9.959 -2.043 -6.079 1.00 1.27 N ATOM 0 H LYS A 106 -14.279 -0.024 -5.298 1.00 0.29 H new ATOM 0 HA LYS A 106 -14.830 -2.802 -6.120 1.00 0.32 H new ATOM 0 HB2 LYS A 106 -12.893 -3.662 -5.112 1.00 0.30 H new ATOM 0 HB3 LYS A 106 -12.343 -2.326 -6.104 1.00 0.30 H new ATOM 0 HG2 LYS A 106 -12.120 -0.891 -4.139 1.00 0.38 H new ATOM 0 HG3 LYS A 106 -12.818 -2.128 -3.111 1.00 0.38 H new ATOM 0 HD2 LYS A 106 -10.572 -2.546 -2.746 1.00 0.52 H new ATOM 0 HD3 LYS A 106 -10.855 -3.631 -4.093 1.00 0.52 H new ATOM 0 HE2 LYS A 106 -9.807 -0.787 -4.380 1.00 0.68 H new ATOM 0 HE3 LYS A 106 -8.785 -2.210 -4.323 1.00 0.68 H new ATOM 0 HZ1 LYS A 106 -9.030 -2.070 -6.546 1.00 1.27 H new ATOM 0 HZ2 LYS A 106 -10.460 -2.938 -6.251 1.00 1.27 H new ATOM 0 HZ3 LYS A 106 -10.517 -1.255 -6.464 1.00 1.27 H new ATOM 1668 N GLU A 107 -14.943 -3.309 -3.362 1.00 0.33 N ATOM 1669 CA GLU A 107 -15.661 -3.561 -2.109 1.00 0.36 C ATOM 1670 C GLU A 107 -14.942 -2.999 -0.897 1.00 0.34 C ATOM 1671 O GLU A 107 -15.596 -2.490 0.006 1.00 0.64 O ATOM 1672 CB GLU A 107 -15.861 -5.062 -1.931 1.00 0.42 C ATOM 1673 CG GLU A 107 -16.910 -5.420 -0.894 1.00 0.58 C ATOM 1674 CD GLU A 107 -18.128 -6.086 -1.503 1.00 0.89 C ATOM 1675 OE1 GLU A 107 -18.545 -5.669 -2.604 1.00 1.21 O ATOM 1676 OE2 GLU A 107 -18.664 -7.026 -0.879 1.00 1.44 O ATOM 0 H GLU A 107 -14.271 -4.035 -3.610 1.00 0.33 H new ATOM 0 HA GLU A 107 -16.622 -3.051 -2.179 1.00 0.36 H new ATOM 0 HB2 GLU A 107 -16.146 -5.497 -2.889 1.00 0.42 H new ATOM 0 HB3 GLU A 107 -14.911 -5.515 -1.645 1.00 0.42 H new ATOM 0 HG2 GLU A 107 -16.469 -6.086 -0.152 1.00 0.58 H new ATOM 0 HG3 GLU A 107 -17.219 -4.517 -0.368 1.00 0.58 H new ATOM 1683 N LYS A 108 -13.613 -3.105 -0.864 1.00 0.34 N ATOM 1684 CA LYS A 108 -12.828 -2.586 0.270 1.00 0.34 C ATOM 1685 C LYS A 108 -11.425 -3.169 0.333 1.00 0.37 C ATOM 1686 O LYS A 108 -11.121 -4.176 -0.302 1.00 0.61 O ATOM 1687 CB LYS A 108 -13.519 -2.874 1.611 1.00 0.35 C ATOM 1688 CG LYS A 108 -14.134 -4.261 1.696 1.00 0.48 C ATOM 1689 CD LYS A 108 -14.812 -4.494 3.033 1.00 0.40 C ATOM 1690 CE LYS A 108 -16.256 -4.017 3.013 1.00 0.51 C ATOM 1691 NZ LYS A 108 -17.170 -5.036 2.427 1.00 1.23 N ATOM 0 H LYS A 108 -13.056 -3.540 -1.600 1.00 0.34 H new ATOM 0 HA LYS A 108 -12.758 -1.511 0.101 1.00 0.34 H new ATOM 0 HB2 LYS A 108 -12.793 -2.758 2.416 1.00 0.35 H new ATOM 0 HB3 LYS A 108 -14.298 -2.130 1.775 1.00 0.35 H new ATOM 0 HG2 LYS A 108 -14.860 -4.387 0.893 1.00 0.48 H new ATOM 0 HG3 LYS A 108 -13.359 -5.012 1.545 1.00 0.48 H new ATOM 0 HD2 LYS A 108 -14.781 -5.556 3.278 1.00 0.40 H new ATOM 0 HD3 LYS A 108 -14.265 -3.970 3.817 1.00 0.40 H new ATOM 0 HE2 LYS A 108 -16.575 -3.784 4.029 1.00 0.51 H new ATOM 0 HE3 LYS A 108 -16.325 -3.094 2.438 1.00 0.51 H new ATOM 0 HZ1 LYS A 108 -17.788 -4.584 1.723 1.00 1.23 H new ATOM 0 HZ2 LYS A 108 -16.609 -5.782 1.967 1.00 1.23 H new ATOM 0 HZ3 LYS A 108 -17.751 -5.455 3.181 1.00 1.23 H new ATOM 1705 N VAL A 109 -10.597 -2.536 1.160 1.00 0.20 N ATOM 1706 CA VAL A 109 -9.231 -2.979 1.401 1.00 0.22 C ATOM 1707 C VAL A 109 -8.876 -2.721 2.855 1.00 0.21 C ATOM 1708 O VAL A 109 -8.921 -1.584 3.329 1.00 0.23 O ATOM 1709 CB VAL A 109 -8.187 -2.300 0.488 1.00 0.24 C ATOM 1710 CG1 VAL A 109 -8.444 -2.656 -0.967 1.00 0.28 C ATOM 1711 CG2 VAL A 109 -8.188 -0.791 0.680 1.00 0.23 C ATOM 0 H VAL A 109 -10.857 -1.699 1.682 1.00 0.20 H new ATOM 0 HA VAL A 109 -9.198 -4.043 1.167 1.00 0.22 H new ATOM 0 HB VAL A 109 -7.201 -2.671 0.768 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -7.700 -2.170 -1.598 1.00 0.28 H new ATOM 0 HG12 VAL A 109 -8.377 -3.736 -1.094 1.00 0.28 H new ATOM 0 HG13 VAL A 109 -9.440 -2.318 -1.254 1.00 0.28 H new ATOM 0 HG21 VAL A 109 -7.443 -0.340 0.024 1.00 0.23 H new ATOM 0 HG22 VAL A 109 -9.173 -0.394 0.437 1.00 0.23 H new ATOM 0 HG23 VAL A 109 -7.948 -0.556 1.717 1.00 0.23 H new ATOM 1721 N TYR A 110 -8.547 -3.782 3.569 1.00 0.20 N ATOM 1722 CA TYR A 110 -8.210 -3.671 4.976 1.00 0.21 C ATOM 1723 C TYR A 110 -6.768 -3.206 5.127 1.00 0.22 C ATOM 1724 O TYR A 110 -5.835 -3.975 4.907 1.00 0.21 O ATOM 1725 CB TYR A 110 -8.442 -5.035 5.635 1.00 0.25 C ATOM 1726 CG TYR A 110 -7.571 -5.334 6.831 1.00 0.26 C ATOM 1727 CD1 TYR A 110 -7.729 -4.639 8.015 1.00 0.44 C ATOM 1728 CD2 TYR A 110 -6.609 -6.332 6.775 1.00 0.27 C ATOM 1729 CE1 TYR A 110 -6.955 -4.920 9.117 1.00 0.53 C ATOM 1730 CE2 TYR A 110 -5.826 -6.629 7.871 1.00 0.36 C ATOM 1731 CZ TYR A 110 -6.002 -5.919 9.045 1.00 0.48 C ATOM 1732 OH TYR A 110 -5.226 -6.209 10.144 1.00 0.59 O ATOM 0 H TYR A 110 -8.506 -4.731 3.197 1.00 0.20 H new ATOM 0 HA TYR A 110 -8.841 -2.931 5.469 1.00 0.21 H new ATOM 0 HB2 TYR A 110 -9.486 -5.098 5.943 1.00 0.25 H new ATOM 0 HB3 TYR A 110 -8.283 -5.812 4.888 1.00 0.25 H new ATOM 0 HD1 TYR A 110 -8.475 -3.860 8.076 1.00 0.44 H new ATOM 0 HD2 TYR A 110 -6.471 -6.886 5.858 1.00 0.27 H new ATOM 0 HE1 TYR A 110 -7.091 -4.364 10.033 1.00 0.53 H new ATOM 0 HE2 TYR A 110 -5.082 -7.409 7.813 1.00 0.36 H new ATOM 0 HH TYR A 110 -4.608 -6.937 9.925 1.00 0.59 H new ATOM 1742 N LEU A 111 -6.595 -1.934 5.483 1.00 0.25 N ATOM 1743 CA LEU A 111 -5.265 -1.354 5.637 1.00 0.30 C ATOM 1744 C LEU A 111 -4.741 -1.542 7.049 1.00 0.41 C ATOM 1745 O LEU A 111 -5.419 -1.212 8.022 1.00 0.64 O ATOM 1746 CB LEU A 111 -5.288 0.141 5.295 1.00 0.50 C ATOM 1747 CG LEU A 111 -4.274 0.599 4.236 1.00 0.81 C ATOM 1748 CD1 LEU A 111 -2.972 -0.186 4.338 1.00 1.76 C ATOM 1749 CD2 LEU A 111 -4.875 0.469 2.845 1.00 1.34 C ATOM 0 H LEU A 111 -7.361 -1.286 5.670 1.00 0.25 H new ATOM 0 HA LEU A 111 -4.599 -1.873 4.948 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -6.289 0.400 4.949 1.00 0.50 H new ATOM 0 HB3 LEU A 111 -5.111 0.707 6.210 1.00 0.50 H new ATOM 0 HG LEU A 111 -4.040 1.647 4.421 1.00 0.81 H new ATOM 0 HD11 LEU A 111 -2.276 0.163 3.575 1.00 1.76 H new ATOM 0 HD12 LEU A 111 -2.533 -0.036 5.325 1.00 1.76 H new ATOM 0 HD13 LEU A 111 -3.174 -1.247 4.188 1.00 1.76 H new ATOM 0 HD21 LEU A 111 -4.148 0.796 2.102 1.00 1.34 H new ATOM 0 HD22 LEU A 111 -5.140 -0.572 2.659 1.00 1.34 H new ATOM 0 HD23 LEU A 111 -5.769 1.089 2.775 1.00 1.34 H new ATOM 1761 N ALA A 112 -3.528 -2.072 7.159 1.00 0.34 N ATOM 1762 CA ALA A 112 -2.929 -2.291 8.471 1.00 0.54 C ATOM 1763 C ALA A 112 -1.403 -2.332 8.418 1.00 0.41 C ATOM 1764 O ALA A 112 -0.811 -2.790 7.434 1.00 0.42 O ATOM 1765 CB ALA A 112 -3.468 -3.576 9.079 1.00 0.83 C ATOM 0 H ALA A 112 -2.947 -2.354 6.369 1.00 0.34 H new ATOM 0 HA ALA A 112 -3.204 -1.443 9.098 1.00 0.54 H new ATOM 0 HB1 ALA A 112 -3.016 -3.733 10.058 1.00 0.83 H new ATOM 0 HB2 ALA A 112 -4.550 -3.502 9.186 1.00 0.83 H new ATOM 0 HB3 ALA A 112 -3.225 -4.416 8.429 1.00 0.83 H new ATOM 1771 N TRP A 113 -0.782 -1.862 9.505 1.00 0.40 N ATOM 1772 CA TRP A 113 0.669 -1.849 9.640 1.00 0.46 C ATOM 1773 C TRP A 113 1.063 -1.929 11.113 1.00 0.85 C ATOM 1774 O TRP A 113 0.555 -1.178 11.946 1.00 1.15 O ATOM 1775 CB TRP A 113 1.279 -0.591 9.013 1.00 0.31 C ATOM 1776 CG TRP A 113 2.746 -0.427 9.317 1.00 0.53 C ATOM 1777 CD1 TRP A 113 3.381 0.724 9.685 1.00 1.31 C ATOM 1778 CD2 TRP A 113 3.758 -1.447 9.280 1.00 1.12 C ATOM 1779 NE1 TRP A 113 4.720 0.486 9.878 1.00 1.23 N ATOM 1780 CE2 TRP A 113 4.976 -0.836 9.634 1.00 0.98 C ATOM 1781 CE3 TRP A 113 3.755 -2.814 8.980 1.00 2.26 C ATOM 1782 CZ2 TRP A 113 6.173 -1.544 9.698 1.00 1.57 C ATOM 1783 CZ3 TRP A 113 4.944 -3.515 9.044 1.00 3.00 C ATOM 1784 CH2 TRP A 113 6.139 -2.879 9.400 1.00 2.58 C ATOM 0 H TRP A 113 -1.275 -1.481 10.313 1.00 0.40 H new ATOM 0 HA TRP A 113 1.058 -2.719 9.110 1.00 0.46 H new ATOM 0 HB2 TRP A 113 1.141 -0.628 7.932 1.00 0.31 H new ATOM 0 HB3 TRP A 113 0.740 0.285 9.374 1.00 0.31 H new ATOM 0 HD1 TRP A 113 2.900 1.683 9.807 1.00 1.31 H new ATOM 0 HE1 TRP A 113 5.411 1.182 10.158 1.00 1.23 H new ATOM 0 HE3 TRP A 113 2.838 -3.313 8.703 1.00 2.26 H new ATOM 0 HZ2 TRP A 113 7.096 -1.056 9.973 1.00 1.57 H new ATOM 0 HZ3 TRP A 113 4.951 -4.571 8.816 1.00 3.00 H new ATOM 0 HH2 TRP A 113 7.053 -3.454 9.440 1.00 2.58 H new ATOM 1795 N VAL A 114 1.973 -2.844 11.418 1.00 1.03 N ATOM 1796 CA VAL A 114 2.451 -3.036 12.781 1.00 1.40 C ATOM 1797 C VAL A 114 3.910 -2.599 12.897 1.00 1.31 C ATOM 1798 O VAL A 114 4.727 -2.940 12.044 1.00 1.22 O ATOM 1799 CB VAL A 114 2.326 -4.512 13.204 1.00 1.86 C ATOM 1800 CG1 VAL A 114 2.876 -4.726 14.606 1.00 2.21 C ATOM 1801 CG2 VAL A 114 0.877 -4.970 13.116 1.00 2.36 C ATOM 0 H VAL A 114 2.398 -3.470 10.734 1.00 1.03 H new ATOM 0 HA VAL A 114 1.835 -2.426 13.441 1.00 1.40 H new ATOM 0 HB VAL A 114 2.920 -5.114 12.517 1.00 1.86 H new ATOM 0 HG11 VAL A 114 2.776 -5.776 14.880 1.00 2.21 H new ATOM 0 HG12 VAL A 114 3.928 -4.444 14.631 1.00 2.21 H new ATOM 0 HG13 VAL A 114 2.319 -4.112 15.313 1.00 2.21 H new ATOM 0 HG21 VAL A 114 0.807 -6.015 13.418 1.00 2.36 H new ATOM 0 HG22 VAL A 114 0.262 -4.359 13.776 1.00 2.36 H new ATOM 0 HG23 VAL A 114 0.524 -4.864 12.090 1.00 2.36 H new ATOM 1811 N PRO A 115 4.259 -1.831 13.951 1.00 1.47 N ATOM 1812 CA PRO A 115 5.627 -1.349 14.159 1.00 1.43 C ATOM 1813 C PRO A 115 6.679 -2.400 13.817 1.00 1.51 C ATOM 1814 O PRO A 115 6.807 -3.413 14.505 1.00 1.86 O ATOM 1815 CB PRO A 115 5.644 -1.034 15.653 1.00 1.79 C ATOM 1816 CG PRO A 115 4.252 -0.596 15.953 1.00 2.19 C ATOM 1817 CD PRO A 115 3.349 -1.367 15.019 1.00 1.82 C ATOM 0 HA PRO A 115 5.871 -0.501 13.519 1.00 1.43 H new ATOM 0 HB2 PRO A 115 5.921 -1.909 16.241 1.00 1.79 H new ATOM 0 HB3 PRO A 115 6.366 -0.252 15.886 1.00 1.79 H new ATOM 0 HG2 PRO A 115 3.997 -0.798 16.993 1.00 2.19 H new ATOM 0 HG3 PRO A 115 4.142 0.478 15.801 1.00 2.19 H new ATOM 0 HD2 PRO A 115 2.869 -2.204 15.527 1.00 1.82 H new ATOM 0 HD3 PRO A 115 2.554 -0.737 14.621 1.00 1.82 H new ATOM 1825 N ALA A 116 7.428 -2.141 12.745 1.00 1.35 N ATOM 1826 CA ALA A 116 8.476 -3.050 12.287 1.00 1.57 C ATOM 1827 C ALA A 116 9.139 -2.513 11.022 1.00 1.27 C ATOM 1828 O ALA A 116 9.045 -1.322 10.722 1.00 1.85 O ATOM 1829 CB ALA A 116 7.904 -4.440 12.032 1.00 2.13 C ATOM 0 H ALA A 116 7.326 -1.302 12.174 1.00 1.35 H new ATOM 0 HA ALA A 116 9.231 -3.122 13.070 1.00 1.57 H new ATOM 0 HB1 ALA A 116 8.699 -5.104 11.692 1.00 2.13 H new ATOM 0 HB2 ALA A 116 7.474 -4.831 12.954 1.00 2.13 H new ATOM 0 HB3 ALA A 116 7.129 -4.380 11.268 1.00 2.13 H new ATOM 1835 N HIS A 117 9.808 -3.398 10.283 1.00 1.34 N ATOM 1836 CA HIS A 117 10.486 -3.018 9.046 1.00 1.30 C ATOM 1837 C HIS A 117 11.125 -4.238 8.384 1.00 1.21 C ATOM 1838 O HIS A 117 12.286 -4.196 7.974 1.00 1.73 O ATOM 1839 CB HIS A 117 11.557 -1.961 9.329 1.00 1.75 C ATOM 1840 CG HIS A 117 11.327 -0.664 8.614 1.00 1.67 C ATOM 1841 ND1 HIS A 117 10.087 -0.069 8.512 1.00 1.57 N ATOM 1842 CD2 HIS A 117 12.189 0.155 7.967 1.00 1.77 C ATOM 1843 CE1 HIS A 117 10.197 1.060 7.832 1.00 1.61 C ATOM 1844 NE2 HIS A 117 11.463 1.218 7.491 1.00 1.73 N ATOM 0 H HIS A 117 9.894 -4.386 10.522 1.00 1.34 H new ATOM 0 HA HIS A 117 9.744 -2.600 8.366 1.00 1.30 H new ATOM 0 HB2 HIS A 117 11.594 -1.773 10.402 1.00 1.75 H new ATOM 0 HB3 HIS A 117 12.531 -2.357 9.041 1.00 1.75 H new ATOM 0 HD1 HIS A 117 9.220 -0.441 8.900 1.00 1.57 H new ATOM 0 HD2 HIS A 117 13.251 0.001 7.848 1.00 1.77 H new ATOM 0 HE1 HIS A 117 9.389 1.737 7.596 1.00 1.61 H new ATOM 1853 N LYS A 118 10.362 -5.325 8.287 1.00 0.97 N ATOM 1854 CA LYS A 118 10.863 -6.555 7.681 1.00 1.25 C ATOM 1855 C LYS A 118 9.913 -7.072 6.601 1.00 1.39 C ATOM 1856 O LYS A 118 10.256 -7.984 5.847 1.00 1.65 O ATOM 1857 CB LYS A 118 11.066 -7.630 8.754 1.00 1.76 C ATOM 1858 CG LYS A 118 9.770 -8.227 9.280 1.00 1.81 C ATOM 1859 CD LYS A 118 9.244 -7.457 10.481 1.00 2.21 C ATOM 1860 CE LYS A 118 7.763 -7.717 10.704 1.00 2.73 C ATOM 1861 NZ LYS A 118 7.505 -8.368 12.018 1.00 3.15 N ATOM 0 H LYS A 118 9.399 -5.378 8.619 1.00 0.97 H new ATOM 0 HA LYS A 118 11.820 -6.328 7.211 1.00 1.25 H new ATOM 0 HB2 LYS A 118 11.682 -8.429 8.342 1.00 1.76 H new ATOM 0 HB3 LYS A 118 11.620 -7.198 9.587 1.00 1.76 H new ATOM 0 HG2 LYS A 118 9.020 -8.224 8.489 1.00 1.81 H new ATOM 0 HG3 LYS A 118 9.935 -9.268 9.559 1.00 1.81 H new ATOM 0 HD2 LYS A 118 9.803 -7.744 11.372 1.00 2.21 H new ATOM 0 HD3 LYS A 118 9.409 -6.390 10.331 1.00 2.21 H new ATOM 0 HE2 LYS A 118 7.217 -6.775 10.652 1.00 2.73 H new ATOM 0 HE3 LYS A 118 7.381 -8.351 9.904 1.00 2.73 H new ATOM 0 HZ1 LYS A 118 6.484 -8.528 12.131 1.00 3.15 H new ATOM 0 HZ2 LYS A 118 8.005 -9.279 12.058 1.00 3.15 H new ATOM 0 HZ3 LYS A 118 7.846 -7.752 12.783 1.00 3.15 H new ATOM 1875 N GLY A 119 8.720 -6.489 6.531 1.00 1.53 N ATOM 1876 CA GLY A 119 7.740 -6.909 5.543 1.00 2.08 C ATOM 1877 C GLY A 119 6.389 -7.204 6.163 1.00 1.57 C ATOM 1878 O GLY A 119 6.086 -6.715 7.252 1.00 1.96 O ATOM 0 H GLY A 119 8.413 -5.732 7.142 1.00 1.53 H new ATOM 0 HA2 GLY A 119 7.629 -6.129 4.790 1.00 2.08 H new ATOM 0 HA3 GLY A 119 8.104 -7.799 5.029 1.00 2.08 H new ATOM 1882 N ILE A 120 5.573 -8.006 5.481 1.00 1.17 N ATOM 1883 CA ILE A 120 4.255 -8.350 5.999 1.00 1.20 C ATOM 1884 C ILE A 120 3.681 -9.609 5.332 1.00 0.94 C ATOM 1885 O ILE A 120 3.828 -10.711 5.863 1.00 1.54 O ATOM 1886 CB ILE A 120 3.271 -7.164 5.869 1.00 1.91 C ATOM 1887 CG1 ILE A 120 1.847 -7.611 6.198 1.00 3.06 C ATOM 1888 CG2 ILE A 120 3.343 -6.538 4.483 1.00 1.88 C ATOM 1889 CD1 ILE A 120 1.619 -7.869 7.672 1.00 4.00 C ATOM 0 H ILE A 120 5.800 -8.424 4.579 1.00 1.17 H new ATOM 0 HA ILE A 120 4.383 -8.572 7.058 1.00 1.20 H new ATOM 0 HB ILE A 120 3.564 -6.400 6.589 1.00 1.91 H new ATOM 0 HG12 ILE A 120 1.148 -6.847 5.859 1.00 3.06 H new ATOM 0 HG13 ILE A 120 1.622 -8.520 5.639 1.00 3.06 H new ATOM 0 HG21 ILE A 120 2.640 -5.707 4.422 1.00 1.88 H new ATOM 0 HG22 ILE A 120 4.354 -6.172 4.301 1.00 1.88 H new ATOM 0 HG23 ILE A 120 3.087 -7.286 3.732 1.00 1.88 H new ATOM 0 HD11 ILE A 120 0.587 -8.182 7.831 1.00 4.00 H new ATOM 0 HD12 ILE A 120 2.294 -8.655 8.012 1.00 4.00 H new ATOM 0 HD13 ILE A 120 1.812 -6.956 8.235 1.00 4.00 H new ATOM 1901 N GLY A 121 3.027 -9.451 4.181 1.00 0.85 N ATOM 1902 CA GLY A 121 2.449 -10.593 3.492 1.00 0.94 C ATOM 1903 C GLY A 121 3.482 -11.648 3.146 1.00 1.25 C ATOM 1904 O GLY A 121 3.443 -12.761 3.672 1.00 1.83 O ATOM 0 H GLY A 121 2.888 -8.554 3.715 1.00 0.85 H new ATOM 0 HA2 GLY A 121 1.676 -11.038 4.119 1.00 0.94 H new ATOM 0 HA3 GLY A 121 1.962 -10.253 2.578 1.00 0.94 H new ATOM 1908 N GLY A 122 4.409 -11.298 2.260 1.00 1.20 N ATOM 1909 CA GLY A 122 5.446 -12.233 1.863 1.00 1.58 C ATOM 1910 C GLY A 122 6.699 -12.103 2.706 1.00 1.42 C ATOM 1911 O GLY A 122 7.120 -13.064 3.350 1.00 1.85 O ATOM 0 H GLY A 122 4.461 -10.384 1.810 1.00 1.20 H new ATOM 0 HA2 GLY A 122 5.063 -13.250 1.942 1.00 1.58 H new ATOM 0 HA3 GLY A 122 5.698 -12.068 0.815 1.00 1.58 H new ATOM 1915 N ASN A 123 7.291 -10.908 2.696 1.00 1.26 N ATOM 1916 CA ASN A 123 8.509 -10.627 3.457 1.00 1.10 C ATOM 1917 C ASN A 123 9.533 -11.755 3.322 1.00 1.27 C ATOM 1918 O ASN A 123 10.338 -11.988 4.223 1.00 1.81 O ATOM 1919 CB ASN A 123 8.177 -10.380 4.934 1.00 1.03 C ATOM 1920 CG ASN A 123 7.796 -11.647 5.679 1.00 1.90 C ATOM 1921 OD1 ASN A 123 8.656 -12.365 6.187 1.00 2.42 O ATOM 1922 ND2 ASN A 123 6.499 -11.923 5.751 1.00 2.73 N ATOM 0 H ASN A 123 6.942 -10.111 2.163 1.00 1.26 H new ATOM 0 HA ASN A 123 8.955 -9.724 3.040 1.00 1.10 H new ATOM 0 HB2 ASN A 123 9.038 -9.924 5.422 1.00 1.03 H new ATOM 0 HB3 ASN A 123 7.357 -9.666 5.001 1.00 1.03 H new ATOM 0 HD21 ASN A 123 6.182 -12.759 6.242 1.00 2.73 H new ATOM 0 HD22 ASN A 123 5.820 -11.299 5.315 1.00 2.73 H new ATOM 1929 N GLU A 124 9.501 -12.445 2.185 1.00 1.71 N ATOM 1930 CA GLU A 124 10.428 -13.543 1.929 1.00 2.13 C ATOM 1931 C GLU A 124 11.059 -13.405 0.548 1.00 2.98 C ATOM 1932 O GLU A 124 12.185 -13.852 0.320 1.00 3.46 O ATOM 1933 CB GLU A 124 9.707 -14.889 2.044 1.00 2.22 C ATOM 1934 CG GLU A 124 8.466 -14.993 1.175 1.00 2.49 C ATOM 1935 CD GLU A 124 8.029 -16.429 0.949 1.00 3.25 C ATOM 1936 OE1 GLU A 124 8.908 -17.315 0.894 1.00 3.75 O ATOM 1937 OE2 GLU A 124 6.809 -16.666 0.829 1.00 3.68 O ATOM 0 H GLU A 124 8.843 -12.263 1.427 1.00 1.71 H new ATOM 0 HA GLU A 124 11.219 -13.502 2.678 1.00 2.13 H new ATOM 0 HB2 GLU A 124 10.399 -15.686 1.771 1.00 2.22 H new ATOM 0 HB3 GLU A 124 9.426 -15.053 3.084 1.00 2.22 H new ATOM 0 HG2 GLU A 124 7.652 -14.439 1.643 1.00 2.49 H new ATOM 0 HG3 GLU A 124 8.661 -14.521 0.212 1.00 2.49 H new ATOM 1944 N GLN A 125 10.328 -12.781 -0.370 1.00 3.49 N ATOM 1945 CA GLN A 125 10.814 -12.580 -1.731 1.00 4.42 C ATOM 1946 C GLN A 125 11.502 -11.225 -1.867 1.00 4.27 C ATOM 1947 O GLN A 125 10.847 -10.207 -2.093 1.00 4.61 O ATOM 1948 CB GLN A 125 9.655 -12.678 -2.726 1.00 5.31 C ATOM 1949 CG GLN A 125 10.006 -13.430 -4.000 1.00 6.26 C ATOM 1950 CD GLN A 125 9.048 -14.570 -4.286 1.00 7.06 C ATOM 1951 OE1 GLN A 125 8.261 -14.515 -5.230 1.00 7.67 O ATOM 1952 NE2 GLN A 125 9.113 -15.613 -3.467 1.00 7.33 N ATOM 0 H GLN A 125 9.396 -12.405 -0.196 1.00 3.49 H new ATOM 0 HA GLN A 125 11.542 -13.361 -1.951 1.00 4.42 H new ATOM 0 HB2 GLN A 125 8.813 -13.173 -2.242 1.00 5.31 H new ATOM 0 HB3 GLN A 125 9.326 -11.672 -2.987 1.00 5.31 H new ATOM 0 HG2 GLN A 125 10.001 -12.736 -4.841 1.00 6.26 H new ATOM 0 HG3 GLN A 125 11.019 -13.823 -3.918 1.00 6.26 H new ATOM 0 HE21 GLN A 125 9.782 -15.616 -2.697 1.00 7.33 H new ATOM 0 HE22 GLN A 125 8.494 -16.412 -3.608 1.00 7.33 H new ATOM 1961 N VAL A 126 12.826 -11.223 -1.727 1.00 4.14 N ATOM 1962 CA VAL A 126 13.609 -9.994 -1.832 1.00 4.18 C ATOM 1963 C VAL A 126 13.124 -8.947 -0.834 1.00 3.46 C ATOM 1964 O VAL A 126 12.325 -8.074 -1.176 1.00 3.81 O ATOM 1965 CB VAL A 126 13.546 -9.399 -3.253 1.00 5.08 C ATOM 1966 CG1 VAL A 126 14.644 -8.364 -3.448 1.00 5.82 C ATOM 1967 CG2 VAL A 126 13.647 -10.496 -4.302 1.00 5.31 C ATOM 0 H VAL A 126 13.379 -12.059 -1.540 1.00 4.14 H new ATOM 0 HA VAL A 126 14.642 -10.261 -1.606 1.00 4.18 H new ATOM 0 HB VAL A 126 12.583 -8.903 -3.374 1.00 5.08 H new ATOM 0 HG11 VAL A 126 14.584 -7.955 -4.457 1.00 5.82 H new ATOM 0 HG12 VAL A 126 14.519 -7.560 -2.723 1.00 5.82 H new ATOM 0 HG13 VAL A 126 15.617 -8.834 -3.305 1.00 5.82 H new ATOM 0 HG21 VAL A 126 13.600 -10.053 -5.297 1.00 5.31 H new ATOM 0 HG22 VAL A 126 14.592 -11.026 -4.184 1.00 5.31 H new ATOM 0 HG23 VAL A 126 12.821 -11.196 -4.177 1.00 5.31 H new ATOM 1977 N ASP A 127 13.609 -9.040 0.401 1.00 2.84 N ATOM 1978 CA ASP A 127 13.219 -8.100 1.448 1.00 2.27 C ATOM 1979 C ASP A 127 14.145 -8.208 2.656 1.00 2.09 C ATOM 1980 O ASP A 127 14.241 -7.278 3.459 1.00 2.74 O ATOM 1981 CB ASP A 127 11.773 -8.354 1.876 1.00 2.15 C ATOM 1982 CG ASP A 127 11.008 -7.068 2.115 1.00 1.91 C ATOM 1983 OD1 ASP A 127 10.512 -6.480 1.132 1.00 2.11 O ATOM 1984 OD2 ASP A 127 10.906 -6.647 3.287 1.00 1.97 O ATOM 0 H ASP A 127 14.271 -9.755 0.701 1.00 2.84 H new ATOM 0 HA ASP A 127 13.301 -7.092 1.042 1.00 2.27 H new ATOM 0 HB2 ASP A 127 11.266 -8.938 1.107 1.00 2.15 H new ATOM 0 HB3 ASP A 127 11.766 -8.953 2.787 1.00 2.15 H new ATOM 1989 N LYS A 128 14.822 -9.345 2.782 1.00 1.95 N ATOM 1990 CA LYS A 128 15.736 -9.568 3.898 1.00 2.34 C ATOM 1991 C LYS A 128 16.908 -10.449 3.476 1.00 2.68 C ATOM 1992 O LYS A 128 17.496 -11.154 4.298 1.00 3.34 O ATOM 1993 CB LYS A 128 14.997 -10.211 5.074 1.00 3.08 C ATOM 1994 CG LYS A 128 14.014 -11.294 4.660 1.00 3.86 C ATOM 1995 CD LYS A 128 14.530 -12.677 5.019 1.00 4.75 C ATOM 1996 CE LYS A 128 13.403 -13.587 5.486 1.00 5.70 C ATOM 1997 NZ LYS A 128 13.324 -13.656 6.971 1.00 6.64 N ATOM 0 H LYS A 128 14.756 -10.124 2.127 1.00 1.95 H new ATOM 0 HA LYS A 128 16.127 -8.600 4.211 1.00 2.34 H new ATOM 0 HB2 LYS A 128 15.728 -10.639 5.760 1.00 3.08 H new ATOM 0 HB3 LYS A 128 14.461 -9.436 5.622 1.00 3.08 H new ATOM 0 HG2 LYS A 128 13.055 -11.123 5.149 1.00 3.86 H new ATOM 0 HG3 LYS A 128 13.838 -11.237 3.586 1.00 3.86 H new ATOM 0 HD2 LYS A 128 15.022 -13.120 4.153 1.00 4.75 H new ATOM 0 HD3 LYS A 128 15.282 -12.594 5.804 1.00 4.75 H new ATOM 0 HE2 LYS A 128 12.455 -13.224 5.089 1.00 5.70 H new ATOM 0 HE3 LYS A 128 13.555 -14.589 5.084 1.00 5.70 H new ATOM 0 HZ1 LYS A 128 12.544 -14.286 7.248 1.00 6.64 H new ATOM 0 HZ2 LYS A 128 14.219 -14.026 7.349 1.00 6.64 H new ATOM 0 HZ3 LYS A 128 13.154 -12.704 7.354 1.00 6.64 H new ATOM 2011 N LEU A 129 17.244 -10.400 2.192 1.00 2.74 N ATOM 2012 CA LEU A 129 18.348 -11.191 1.659 1.00 3.44 C ATOM 2013 C LEU A 129 19.646 -10.389 1.672 1.00 3.44 C ATOM 2014 O LEU A 129 20.710 -10.906 1.331 1.00 4.06 O ATOM 2015 CB LEU A 129 18.029 -11.649 0.234 1.00 4.20 C ATOM 2016 CG LEU A 129 17.382 -13.032 0.128 1.00 5.09 C ATOM 2017 CD1 LEU A 129 16.511 -13.117 -1.115 1.00 5.95 C ATOM 2018 CD2 LEU A 129 18.447 -14.118 0.112 1.00 5.63 C ATOM 0 H LEU A 129 16.768 -9.821 1.500 1.00 2.74 H new ATOM 0 HA LEU A 129 18.478 -12.067 2.294 1.00 3.44 H new ATOM 0 HB2 LEU A 129 17.365 -10.918 -0.226 1.00 4.20 H new ATOM 0 HB3 LEU A 129 18.952 -11.651 -0.346 1.00 4.20 H new ATOM 0 HG LEU A 129 16.749 -13.186 1.002 1.00 5.09 H new ATOM 0 HD11 LEU A 129 16.059 -14.107 -1.175 1.00 5.95 H new ATOM 0 HD12 LEU A 129 15.727 -12.362 -1.062 1.00 5.95 H new ATOM 0 HD13 LEU A 129 17.123 -12.943 -2.000 1.00 5.95 H new ATOM 0 HD21 LEU A 129 17.969 -15.095 0.036 1.00 5.63 H new ATOM 0 HD22 LEU A 129 19.106 -13.969 -0.743 1.00 5.63 H new ATOM 0 HD23 LEU A 129 19.030 -14.069 1.032 1.00 5.63 H new ATOM 2030 N VAL A 130 19.547 -9.123 2.071 1.00 3.30 N ATOM 2031 CA VAL A 130 20.708 -8.239 2.133 1.00 3.91 C ATOM 2032 C VAL A 130 21.467 -8.227 0.808 1.00 3.71 C ATOM 2033 O VAL A 130 22.676 -8.464 0.771 1.00 3.95 O ATOM 2034 CB VAL A 130 21.674 -8.648 3.265 1.00 4.75 C ATOM 2035 CG1 VAL A 130 22.537 -7.466 3.682 1.00 5.80 C ATOM 2036 CG2 VAL A 130 20.907 -9.201 4.457 1.00 5.04 C ATOM 0 H VAL A 130 18.671 -8.685 2.357 1.00 3.30 H new ATOM 0 HA VAL A 130 20.327 -7.238 2.338 1.00 3.91 H new ATOM 0 HB VAL A 130 22.327 -9.435 2.889 1.00 4.75 H new ATOM 0 HG11 VAL A 130 23.212 -7.772 4.481 1.00 5.80 H new ATOM 0 HG12 VAL A 130 23.119 -7.121 2.827 1.00 5.80 H new ATOM 0 HG13 VAL A 130 21.899 -6.657 4.037 1.00 5.80 H new ATOM 0 HG21 VAL A 130 21.609 -9.483 5.242 1.00 5.04 H new ATOM 0 HG22 VAL A 130 20.225 -8.440 4.836 1.00 5.04 H new ATOM 0 HG23 VAL A 130 20.337 -10.077 4.148 1.00 5.04 H new ATOM 2046 N SER A 131 20.751 -7.951 -0.277 1.00 3.77 N ATOM 2047 CA SER A 131 21.358 -7.907 -1.603 1.00 4.01 C ATOM 2048 C SER A 131 21.831 -6.495 -1.938 1.00 3.49 C ATOM 2049 O SER A 131 22.171 -6.200 -3.084 1.00 3.75 O ATOM 2050 CB SER A 131 20.363 -8.391 -2.660 1.00 4.82 C ATOM 2051 OG SER A 131 19.217 -7.558 -2.703 1.00 5.37 O ATOM 0 H SER A 131 19.750 -7.754 -0.265 1.00 3.77 H new ATOM 0 HA SER A 131 22.224 -8.569 -1.601 1.00 4.01 H new ATOM 0 HB2 SER A 131 20.844 -8.403 -3.638 1.00 4.82 H new ATOM 0 HB3 SER A 131 20.063 -9.416 -2.439 1.00 4.82 H new ATOM 0 HG SER A 131 18.598 -7.888 -3.387 1.00 5.37 H new ATOM 2057 N ALA A 132 21.848 -5.630 -0.928 1.00 3.18 N ATOM 2058 CA ALA A 132 22.280 -4.244 -1.102 1.00 2.91 C ATOM 2059 C ALA A 132 21.445 -3.527 -2.160 1.00 2.29 C ATOM 2060 O ALA A 132 20.484 -4.084 -2.691 1.00 2.87 O ATOM 2061 CB ALA A 132 23.757 -4.193 -1.464 1.00 3.32 C ATOM 0 H ALA A 132 21.567 -5.865 0.024 1.00 3.18 H new ATOM 0 HA ALA A 132 22.130 -3.725 -0.155 1.00 2.91 H new ATOM 0 HB1 ALA A 132 24.065 -3.155 -1.591 1.00 3.32 H new ATOM 0 HB2 ALA A 132 24.343 -4.651 -0.667 1.00 3.32 H new ATOM 0 HB3 ALA A 132 23.923 -4.737 -2.394 1.00 3.32 H new ATOM 2067 N GLY A 133 21.822 -2.287 -2.460 1.00 1.63 N ATOM 2068 CA GLY A 133 21.101 -1.508 -3.452 1.00 1.27 C ATOM 2069 C GLY A 133 20.972 -0.048 -3.061 1.00 1.21 C ATOM 2070 O GLY A 133 21.439 0.361 -1.998 1.00 1.74 O ATOM 0 H GLY A 133 22.615 -1.807 -2.033 1.00 1.63 H new ATOM 0 HA2 GLY A 133 21.615 -1.580 -4.410 1.00 1.27 H new ATOM 0 HA3 GLY A 133 20.107 -1.933 -3.591 1.00 1.27 H new ATOM 2074 N ILE A 134 20.335 0.740 -3.923 1.00 1.04 N ATOM 2075 CA ILE A 134 20.142 2.163 -3.665 1.00 1.02 C ATOM 2076 C ILE A 134 18.751 2.429 -3.102 1.00 0.90 C ATOM 2077 O ILE A 134 18.253 3.555 -3.151 1.00 0.92 O ATOM 2078 CB ILE A 134 20.339 3.004 -4.944 1.00 1.15 C ATOM 2079 CG1 ILE A 134 21.393 2.364 -5.850 1.00 1.53 C ATOM 2080 CG2 ILE A 134 20.741 4.429 -4.588 1.00 1.28 C ATOM 2081 CD1 ILE A 134 20.818 1.731 -7.099 1.00 2.77 C ATOM 0 H ILE A 134 19.943 0.416 -4.807 1.00 1.04 H new ATOM 0 HA ILE A 134 20.894 2.458 -2.933 1.00 1.02 H new ATOM 0 HB ILE A 134 19.392 3.035 -5.484 1.00 1.15 H new ATOM 0 HG12 ILE A 134 22.120 3.123 -6.140 1.00 1.53 H new ATOM 0 HG13 ILE A 134 21.933 1.605 -5.284 1.00 1.53 H new ATOM 0 HG21 ILE A 134 20.876 5.008 -5.502 1.00 1.28 H new ATOM 0 HG22 ILE A 134 19.960 4.886 -3.980 1.00 1.28 H new ATOM 0 HG23 ILE A 134 21.675 4.414 -4.027 1.00 1.28 H new ATOM 0 HD11 ILE A 134 21.624 1.298 -7.692 1.00 2.77 H new ATOM 0 HD12 ILE A 134 20.113 0.948 -6.819 1.00 2.77 H new ATOM 0 HD13 ILE A 134 20.302 2.490 -7.687 1.00 2.77 H new ATOM 2093 N ARG A 135 18.127 1.386 -2.565 1.00 0.93 N ATOM 2094 CA ARG A 135 16.794 1.507 -1.991 1.00 0.92 C ATOM 2095 C ARG A 135 16.823 1.233 -0.488 1.00 1.04 C ATOM 2096 O ARG A 135 17.535 0.343 -0.024 1.00 1.72 O ATOM 2097 CB ARG A 135 15.821 0.552 -2.699 1.00 1.07 C ATOM 2098 CG ARG A 135 15.630 -0.789 -2.003 1.00 1.32 C ATOM 2099 CD ARG A 135 16.423 -1.893 -2.685 1.00 1.41 C ATOM 2100 NE ARG A 135 16.718 -2.997 -1.774 1.00 1.92 N ATOM 2101 CZ ARG A 135 16.111 -4.180 -1.824 1.00 2.58 C ATOM 2102 NH1 ARG A 135 15.180 -4.417 -2.740 1.00 3.01 N ATOM 2103 NH2 ARG A 135 16.436 -5.130 -0.956 1.00 3.36 N ATOM 0 H ARG A 135 18.524 0.448 -2.516 1.00 0.93 H new ATOM 0 HA ARG A 135 16.446 2.529 -2.140 1.00 0.92 H new ATOM 0 HB2 ARG A 135 14.851 1.042 -2.787 1.00 1.07 H new ATOM 0 HB3 ARG A 135 16.181 0.373 -3.712 1.00 1.07 H new ATOM 0 HG2 ARG A 135 15.942 -0.707 -0.962 1.00 1.32 H new ATOM 0 HG3 ARG A 135 14.572 -1.050 -1.999 1.00 1.32 H new ATOM 0 HD2 ARG A 135 15.861 -2.269 -3.540 1.00 1.41 H new ATOM 0 HD3 ARG A 135 17.356 -1.483 -3.072 1.00 1.41 H new ATOM 0 HE ARG A 135 17.430 -2.852 -1.058 1.00 1.92 H new ATOM 0 HH11 ARG A 135 14.927 -3.691 -3.410 1.00 3.01 H new ATOM 0 HH12 ARG A 135 14.718 -5.326 -2.774 1.00 3.01 H new ATOM 0 HH21 ARG A 135 17.151 -4.953 -0.250 1.00 3.36 H new ATOM 0 HH22 ARG A 135 15.971 -6.037 -0.994 1.00 3.36 H new ATOM 2117 N LYS A 136 16.051 2.008 0.266 1.00 0.78 N ATOM 2118 CA LYS A 136 15.994 1.849 1.713 1.00 0.90 C ATOM 2119 C LYS A 136 14.801 2.597 2.300 1.00 0.85 C ATOM 2120 O LYS A 136 14.449 3.684 1.842 1.00 1.11 O ATOM 2121 CB LYS A 136 17.292 2.342 2.356 1.00 1.02 C ATOM 2122 CG LYS A 136 17.556 3.824 2.148 1.00 1.02 C ATOM 2123 CD LYS A 136 18.547 4.359 3.170 1.00 0.98 C ATOM 2124 CE LYS A 136 19.837 4.820 2.509 1.00 1.41 C ATOM 2125 NZ LYS A 136 20.767 5.452 3.484 1.00 1.74 N ATOM 0 H LYS A 136 15.457 2.752 -0.101 1.00 0.78 H new ATOM 0 HA LYS A 136 15.873 0.788 1.930 1.00 0.90 H new ATOM 0 HB2 LYS A 136 17.258 2.135 3.426 1.00 1.02 H new ATOM 0 HB3 LYS A 136 18.127 1.773 1.948 1.00 1.02 H new ATOM 0 HG2 LYS A 136 17.943 3.989 1.142 1.00 1.02 H new ATOM 0 HG3 LYS A 136 16.619 4.376 2.223 1.00 1.02 H new ATOM 0 HD2 LYS A 136 18.098 5.191 3.713 1.00 0.98 H new ATOM 0 HD3 LYS A 136 18.770 3.583 3.903 1.00 0.98 H new ATOM 0 HE2 LYS A 136 20.328 3.968 2.039 1.00 1.41 H new ATOM 0 HE3 LYS A 136 19.604 5.531 1.716 1.00 1.41 H new ATOM 0 HZ1 LYS A 136 21.633 5.752 2.993 1.00 1.74 H new ATOM 0 HZ2 LYS A 136 20.308 6.280 3.914 1.00 1.74 H new ATOM 0 HZ3 LYS A 136 21.010 4.766 4.227 1.00 1.74 H new ATOM 2139 N VAL A 137 14.185 2.004 3.317 1.00 1.02 N ATOM 2140 CA VAL A 137 13.032 2.608 3.972 1.00 1.09 C ATOM 2141 C VAL A 137 13.443 3.310 5.261 1.00 1.38 C ATOM 2142 O VAL A 137 14.223 2.776 6.049 1.00 1.96 O ATOM 2143 CB VAL A 137 11.954 1.556 4.297 1.00 1.65 C ATOM 2144 CG1 VAL A 137 10.603 2.221 4.503 1.00 2.46 C ATOM 2145 CG2 VAL A 137 11.876 0.510 3.194 1.00 2.13 C ATOM 0 H VAL A 137 14.466 1.104 3.706 1.00 1.02 H new ATOM 0 HA VAL A 137 12.618 3.338 3.276 1.00 1.09 H new ATOM 0 HB VAL A 137 12.233 1.054 5.224 1.00 1.65 H new ATOM 0 HG11 VAL A 137 9.855 1.462 4.731 1.00 2.46 H new ATOM 0 HG12 VAL A 137 10.668 2.927 5.331 1.00 2.46 H new ATOM 0 HG13 VAL A 137 10.316 2.751 3.595 1.00 2.46 H new ATOM 0 HG21 VAL A 137 11.109 -0.224 3.442 1.00 2.13 H new ATOM 0 HG22 VAL A 137 11.623 0.994 2.251 1.00 2.13 H new ATOM 0 HG23 VAL A 137 12.840 0.010 3.098 1.00 2.13 H new ATOM 2155 N LEU A 138 12.915 4.513 5.468 1.00 1.42 N ATOM 2156 CA LEU A 138 13.229 5.289 6.662 1.00 2.10 C ATOM 2157 C LEU A 138 11.966 5.591 7.462 1.00 2.78 C ATOM 2158 O LEU A 138 11.622 4.782 8.349 1.00 3.22 O ATOM 2159 CB LEU A 138 13.930 6.594 6.276 1.00 2.17 C ATOM 2160 CG LEU A 138 15.397 6.445 5.870 1.00 2.84 C ATOM 2161 CD1 LEU A 138 15.758 7.458 4.795 1.00 2.82 C ATOM 2162 CD2 LEU A 138 16.303 6.604 7.081 1.00 3.79 C ATOM 2163 OXT LEU A 138 11.332 6.634 7.195 1.00 3.18 O ATOM 0 H LEU A 138 12.269 4.970 4.825 1.00 1.42 H new ATOM 0 HA LEU A 138 13.898 4.697 7.286 1.00 2.10 H new ATOM 0 HB2 LEU A 138 13.385 7.051 5.450 1.00 2.17 H new ATOM 0 HB3 LEU A 138 13.870 7.284 7.118 1.00 2.17 H new ATOM 0 HG LEU A 138 15.542 5.445 5.461 1.00 2.84 H new ATOM 0 HD11 LEU A 138 16.805 7.337 4.518 1.00 2.82 H new ATOM 0 HD12 LEU A 138 15.130 7.298 3.918 1.00 2.82 H new ATOM 0 HD13 LEU A 138 15.597 8.466 5.177 1.00 2.82 H new ATOM 0 HD21 LEU A 138 17.343 6.495 6.774 1.00 3.79 H new ATOM 0 HD22 LEU A 138 16.155 7.591 7.519 1.00 3.79 H new ATOM 0 HD23 LEU A 138 16.061 5.840 7.819 1.00 3.79 H new TER 2175 LEU A 138