USER MOD reduce.3.24.130724 H: found=0, std=0, add=1124, rem=0, adj=57 USER MOD reduce.3.24.130724 removed 1124 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 147 THR OG1 : rot 54:sc= 0.933 USER MOD Set 1.2: A 150 THR OG1 : rot 180:sc= 1.01 USER MOD Set 2.1: A 145 LYS NZ :NH3+ -151:sc= 2.34 (180deg=1.2) USER MOD Set 2.2: A 146 ASN : amide:sc= -0.955! C(o=1.4!,f=-16!) USER MOD Set 3.1: A 112 ASN : amide:sc= 1.79 K(o=2.8,f=-6.7!) USER MOD Set 3.2: A 152 LYS NZ :NH3+ 153:sc= 1.02 (180deg=-0.492) USER MOD Set 4.1: A 22 THR OG1 : rot 139:sc= 1.27 USER MOD Set 4.2: A 82 TYR OH : rot 180:sc= -0.238 USER MOD Set 5.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 76 ASN : amide:sc= -1.12! K(o=-1.1!,f=-0.13) USER MOD Set 6.1: A 45 ASN : amide:sc= 0.479 X(o=2.3,f=2.4) USER MOD Set 6.2: A 46 THR OG1 : rot -1:sc= 0.54 USER MOD Set 6.3: A 52 ASN : amide:sc= 0.853 K(o=2.3,f=-0.75!) USER MOD Set 6.4: A 70 ASN : amide:sc= 0.435 K(o=2.3,f=0.97) USER MOD Set 7.1: A 62 THR OG1 : rot -112:sc= -2.1! USER MOD Set 7.2: A 85 THR OG1 : rot 180:sc= 0.617 USER MOD Set 8.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 8.2: A 59 LYS NZ :NH3+ -168:sc= -2.47! (180deg=-2.85!) USER MOD Set 9.1: A 53 TYR OH : rot 1:sc= -0.482 USER MOD Set 9.2: A 83 TYR OH : rot 178:sc= 0.529 USER MOD Set 9.3: A 117 ASN : amide:sc= 0.336 X(o=0.42,f=0.22) USER MOD Set 9.4: A 118 ASN : amide:sc= 0.0325 X(o=0.42,f=0.22) USER MOD Set10.1: A 26 ASN : amide:sc= 0.468 X(o=0.15,f=-0.2) USER MOD Set10.2: A 77 ASN : amide:sc= -0.316 X(o=0.15,f=-0.2) USER MOD Set11.1: A 10 LYS NZ :NH3+ 133:sc= 1.19 (180deg=0) USER MOD Set11.2: A 96 SER OG : rot -14:sc= 0.966 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.26 (180deg=0.934) USER MOD Single : A 3 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.35) USER MOD Single : A 4 SER OG : rot 112:sc= 1.27 USER MOD Single : A 6 SER OG : rot 7:sc= 0.784 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0334 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 144:sc= 0.285 USER MOD Single : A 12 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.5) USER MOD Single : A 13 ASN : amide:sc= -0.835 K(o=-0.84,f=-5.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 162:sc= -0.156 (180deg=-0.714) USER MOD Single : A 20 SER OG : rot 93:sc= 1.22 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 30:sc= -0.453 USER MOD Single : A 32 GLN : amide:sc= -5.56! C(o=-5.6!,f=-1.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -121:sc= -0.838 USER MOD Single : A 36 SER OG : rot -6:sc= 0.583 USER MOD Single : A 40 SER OG : rot 180:sc= 0.00949 USER MOD Single : A 41 THR OG1 : rot 11:sc= 0.0762 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 54 LYS NZ :NH3+ 153:sc= -0.0275 (180deg=-0.194) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.0481 K(o=0.048,f=-9.9!) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.14) USER MOD Single : A 63 ASN : amide:sc= -4.1! K(o=-4.1!,f=-0.78) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 87 THR OG1 : rot 112:sc= 0.052 USER MOD Single : A 91 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0144) USER MOD Single : A 99 THR OG1 : rot 2:sc= 0.146 USER MOD Single : A 101 ASN : amide:sc= -1.86 K(o=-1.9,f=-0.043) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 105 SER OG : rot -91:sc= -0.627 USER MOD Single : A 107 LYS NZ :NH3+ 164:sc= 0.00904 (180deg=0) USER MOD Single : A 109 TYR OH : rot -140:sc= -0.233 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 74:sc= 0.0872 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 131 LYS NZ :NH3+ -115:sc= -0.154 (180deg=-3.36!) USER MOD Single : A 132 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0.00097 USER MOD Single : A 142 THR OG1 : rot 67:sc= 1.3 USER MOD Single : A 149 SER OG : rot -12:sc= 0.609 USER MOD Single : A 151 ASN : amide:sc= -0.638 K(o=-0.64,f=-1.6) USER MOD Single : A 154 THR OG1 : rot 106:sc= 0.55 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -154:sc= -2.81! (180deg=-4.23!) USER MOD Single : A 158 LYS NZ :NH3+ 156:sc= 1.24 (180deg=0.978) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.855 -1.604 -3.194 1.00 7.47 N ATOM 2 CA MET A 1 -24.268 -1.563 -1.834 1.00 7.05 C ATOM 3 C MET A 1 -24.268 -2.957 -1.221 1.00 6.18 C ATOM 4 O MET A 1 -24.348 -3.952 -1.946 1.00 6.26 O ATOM 5 CB MET A 1 -25.054 -0.596 -0.942 1.00 7.58 C ATOM 6 CG MET A 1 -24.810 0.878 -1.240 1.00 8.43 C ATOM 7 SD MET A 1 -25.315 1.363 -2.903 1.00 9.37 S ATOM 8 CE MET A 1 -24.888 3.105 -2.883 1.00 9.99 C ATOM 0 H1 MET A 1 -25.038 -0.634 -3.522 1.00 7.47 H new ATOM 0 H2 MET A 1 -24.191 -2.070 -3.845 1.00 7.47 H new ATOM 0 H3 MET A 1 -25.748 -2.136 -3.171 1.00 7.47 H new ATOM 0 HA MET A 1 -23.240 -1.210 -1.910 1.00 7.05 H new ATOM 0 HB2 MET A 1 -26.118 -0.804 -1.051 1.00 7.58 H new ATOM 0 HB3 MET A 1 -24.796 -0.791 0.099 1.00 7.58 H new ATOM 0 HG2 MET A 1 -25.351 1.483 -0.513 1.00 8.43 H new ATOM 0 HG3 MET A 1 -23.750 1.097 -1.111 1.00 8.43 H new ATOM 0 HE1 MET A 1 -25.140 3.552 -3.845 1.00 9.99 H new ATOM 0 HE2 MET A 1 -25.445 3.607 -2.092 1.00 9.99 H new ATOM 0 HE3 MET A 1 -23.819 3.216 -2.700 1.00 9.99 H new ATOM 20 N GLU A 2 -24.174 -3.014 0.110 1.00 5.66 N ATOM 21 CA GLU A 2 -24.169 -4.269 0.860 1.00 5.12 C ATOM 22 C GLU A 2 -22.894 -5.068 0.628 1.00 4.18 C ATOM 23 O GLU A 2 -22.729 -5.730 -0.399 1.00 4.52 O ATOM 24 CB GLU A 2 -25.406 -5.117 0.554 1.00 5.99 C ATOM 25 CG GLU A 2 -26.677 -4.538 1.147 1.00 6.56 C ATOM 26 CD GLU A 2 -26.522 -4.235 2.623 1.00 7.11 C ATOM 27 OE1 GLU A 2 -26.525 -5.184 3.435 1.00 7.34 O ATOM 28 OE2 GLU A 2 -26.383 -3.045 2.978 1.00 7.54 O ATOM 0 H GLU A 2 -24.099 -2.185 0.699 1.00 5.66 H new ATOM 0 HA GLU A 2 -24.201 -4.000 1.916 1.00 5.12 H new ATOM 0 HB2 GLU A 2 -25.522 -5.206 -0.526 1.00 5.99 H new ATOM 0 HB3 GLU A 2 -25.255 -6.124 0.942 1.00 5.99 H new ATOM 0 HG2 GLU A 2 -26.943 -3.625 0.615 1.00 6.56 H new ATOM 0 HG3 GLU A 2 -27.498 -5.241 1.005 1.00 6.56 H new ATOM 35 N GLN A 3 -22.001 -4.985 1.611 1.00 3.35 N ATOM 36 CA GLN A 3 -20.726 -5.693 1.593 1.00 2.68 C ATOM 37 C GLN A 3 -19.846 -5.257 0.425 1.00 1.97 C ATOM 38 O GLN A 3 -20.170 -4.320 -0.306 1.00 2.24 O ATOM 39 CB GLN A 3 -20.943 -7.208 1.560 1.00 2.90 C ATOM 40 CG GLN A 3 -21.566 -7.760 2.833 1.00 3.57 C ATOM 41 CD GLN A 3 -20.825 -7.313 4.080 1.00 4.03 C ATOM 42 OE1 GLN A 3 -19.849 -7.939 4.498 1.00 4.48 O ATOM 43 NE2 GLN A 3 -21.294 -6.242 4.704 1.00 4.40 N ATOM 0 H GLN A 3 -22.144 -4.420 2.448 1.00 3.35 H new ATOM 0 HA GLN A 3 -20.204 -5.433 2.514 1.00 2.68 H new ATOM 0 HB2 GLN A 3 -21.584 -7.457 0.714 1.00 2.90 H new ATOM 0 HB3 GLN A 3 -19.986 -7.701 1.390 1.00 2.90 H new ATOM 0 HG2 GLN A 3 -22.605 -7.437 2.896 1.00 3.57 H new ATOM 0 HG3 GLN A 3 -21.573 -8.849 2.788 1.00 3.57 H new ATOM 0 HE21 GLN A 3 -22.104 -5.748 4.330 1.00 4.40 H new ATOM 0 HE22 GLN A 3 -20.845 -5.912 5.558 1.00 4.40 H new ATOM 52 N SER A 4 -18.720 -5.928 0.274 1.00 1.43 N ATOM 53 CA SER A 4 -17.778 -5.610 -0.778 1.00 0.82 C ATOM 54 C SER A 4 -17.980 -6.520 -1.982 1.00 0.93 C ATOM 55 O SER A 4 -18.163 -7.731 -1.838 1.00 1.64 O ATOM 56 CB SER A 4 -16.355 -5.743 -0.242 1.00 0.60 C ATOM 57 OG SER A 4 -16.163 -4.898 0.879 1.00 1.23 O ATOM 0 H SER A 4 -18.435 -6.703 0.873 1.00 1.43 H new ATOM 0 HA SER A 4 -17.947 -4.584 -1.104 1.00 0.82 H new ATOM 0 HB2 SER A 4 -16.162 -6.778 0.039 1.00 0.60 H new ATOM 0 HB3 SER A 4 -15.641 -5.486 -1.024 1.00 0.60 H new ATOM 0 HG SER A 4 -16.045 -5.444 1.684 1.00 1.23 H new ATOM 63 N ALA A 5 -17.965 -5.926 -3.165 1.00 1.31 N ATOM 64 CA ALA A 5 -18.098 -6.672 -4.406 1.00 1.41 C ATOM 65 C ALA A 5 -16.736 -7.175 -4.866 1.00 1.33 C ATOM 66 O ALA A 5 -15.715 -6.586 -4.524 1.00 1.96 O ATOM 67 CB ALA A 5 -18.736 -5.801 -5.477 1.00 1.72 C ATOM 0 H ALA A 5 -17.861 -4.919 -3.292 1.00 1.31 H new ATOM 0 HA ALA A 5 -18.743 -7.533 -4.232 1.00 1.41 H new ATOM 0 HB1 ALA A 5 -18.830 -6.371 -6.401 1.00 1.72 H new ATOM 0 HB2 ALA A 5 -19.724 -5.482 -5.145 1.00 1.72 H new ATOM 0 HB3 ALA A 5 -18.112 -4.925 -5.653 1.00 1.72 H new ATOM 73 N SER A 6 -16.734 -8.274 -5.623 1.00 1.05 N ATOM 74 CA SER A 6 -15.504 -8.899 -6.144 1.00 0.98 C ATOM 75 C SER A 6 -14.522 -9.237 -5.016 1.00 0.84 C ATOM 76 O SER A 6 -13.325 -9.427 -5.250 1.00 0.79 O ATOM 77 CB SER A 6 -14.831 -8.026 -7.224 1.00 1.17 C ATOM 78 OG SER A 6 -14.447 -6.750 -6.735 1.00 1.25 O ATOM 0 H SER A 6 -17.587 -8.762 -5.896 1.00 1.05 H new ATOM 0 HA SER A 6 -15.799 -9.835 -6.618 1.00 0.98 H new ATOM 0 HB2 SER A 6 -13.952 -8.543 -7.608 1.00 1.17 H new ATOM 0 HB3 SER A 6 -15.517 -7.898 -8.062 1.00 1.17 H new ATOM 0 HG SER A 6 -14.595 -6.712 -5.767 1.00 1.25 H new ATOM 84 N ASP A 7 -15.059 -9.372 -3.808 1.00 0.83 N ATOM 85 CA ASP A 7 -14.261 -9.646 -2.615 1.00 0.77 C ATOM 86 C ASP A 7 -13.702 -11.059 -2.650 1.00 0.72 C ATOM 87 O ASP A 7 -12.722 -11.368 -1.980 1.00 0.82 O ATOM 88 CB ASP A 7 -15.121 -9.473 -1.358 1.00 0.85 C ATOM 89 CG ASP A 7 -16.122 -10.606 -1.174 1.00 0.92 C ATOM 90 OD1 ASP A 7 -16.791 -10.990 -2.163 1.00 1.18 O ATOM 91 OD2 ASP A 7 -16.237 -11.119 -0.043 1.00 1.36 O ATOM 0 H ASP A 7 -16.060 -9.295 -3.627 1.00 0.83 H new ATOM 0 HA ASP A 7 -13.431 -8.940 -2.593 1.00 0.77 H new ATOM 0 HB2 ASP A 7 -14.473 -9.420 -0.483 1.00 0.85 H new ATOM 0 HB3 ASP A 7 -15.657 -8.525 -1.416 1.00 0.85 H new ATOM 96 N SER A 8 -14.332 -11.907 -3.436 1.00 0.69 N ATOM 97 CA SER A 8 -13.937 -13.299 -3.523 1.00 0.75 C ATOM 98 C SER A 8 -13.163 -13.586 -4.812 1.00 0.78 C ATOM 99 O SER A 8 -12.320 -14.482 -4.849 1.00 1.03 O ATOM 100 CB SER A 8 -15.183 -14.179 -3.418 1.00 0.89 C ATOM 101 OG SER A 8 -16.355 -13.431 -3.721 1.00 1.49 O ATOM 0 H SER A 8 -15.124 -11.656 -4.027 1.00 0.69 H new ATOM 0 HA SER A 8 -13.263 -13.527 -2.697 1.00 0.75 H new ATOM 0 HB2 SER A 8 -15.097 -15.023 -4.103 1.00 0.89 H new ATOM 0 HB3 SER A 8 -15.259 -14.592 -2.412 1.00 0.89 H new ATOM 0 HG SER A 8 -17.141 -14.012 -3.650 1.00 1.49 H new ATOM 107 N ASN A 9 -13.437 -12.823 -5.859 1.00 0.73 N ATOM 108 CA ASN A 9 -12.788 -13.050 -7.145 1.00 0.82 C ATOM 109 C ASN A 9 -11.466 -12.304 -7.266 1.00 0.77 C ATOM 110 O ASN A 9 -10.413 -12.931 -7.413 1.00 0.86 O ATOM 111 CB ASN A 9 -13.710 -12.658 -8.298 1.00 0.94 C ATOM 112 CG ASN A 9 -14.637 -13.789 -8.695 1.00 1.48 C ATOM 113 OD1 ASN A 9 -14.301 -14.604 -9.556 1.00 2.27 O ATOM 114 ND2 ASN A 9 -15.804 -13.852 -8.076 1.00 2.04 N ATOM 0 H ASN A 9 -14.099 -12.047 -5.847 1.00 0.73 H new ATOM 0 HA ASN A 9 -12.574 -14.117 -7.201 1.00 0.82 H new ATOM 0 HB2 ASN A 9 -14.302 -11.789 -8.010 1.00 0.94 H new ATOM 0 HB3 ASN A 9 -13.109 -12.363 -9.158 1.00 0.94 H new ATOM 0 HD21 ASN A 9 -16.464 -14.595 -8.306 1.00 2.04 H new ATOM 0 HD22 ASN A 9 -16.044 -13.157 -7.369 1.00 2.04 H new ATOM 121 N LYS A 10 -11.506 -10.978 -7.177 1.00 0.72 N ATOM 122 CA LYS A 10 -10.310 -10.176 -7.412 1.00 0.75 C ATOM 123 C LYS A 10 -9.326 -10.312 -6.263 1.00 0.70 C ATOM 124 O LYS A 10 -8.121 -10.420 -6.478 1.00 0.76 O ATOM 125 CB LYS A 10 -10.645 -8.697 -7.625 1.00 0.83 C ATOM 126 CG LYS A 10 -9.409 -7.853 -7.900 1.00 0.99 C ATOM 127 CD LYS A 10 -9.744 -6.393 -8.154 1.00 1.03 C ATOM 128 CE LYS A 10 -8.486 -5.603 -8.468 1.00 1.11 C ATOM 129 NZ LYS A 10 -8.768 -4.169 -8.729 1.00 1.56 N ATOM 0 H LYS A 10 -12.342 -10.441 -6.947 1.00 0.72 H new ATOM 0 HA LYS A 10 -9.852 -10.559 -8.324 1.00 0.75 H new ATOM 0 HB2 LYS A 10 -11.339 -8.602 -8.460 1.00 0.83 H new ATOM 0 HB3 LYS A 10 -11.154 -8.312 -6.741 1.00 0.83 H new ATOM 0 HG2 LYS A 10 -8.729 -7.924 -7.051 1.00 0.99 H new ATOM 0 HG3 LYS A 10 -8.883 -8.257 -8.765 1.00 0.99 H new ATOM 0 HD2 LYS A 10 -10.446 -6.314 -8.984 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -10.237 -5.970 -7.279 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -7.790 -5.687 -7.634 1.00 1.11 H new ATOM 0 HE3 LYS A 10 -7.995 -6.038 -9.338 1.00 1.11 H new ATOM 0 HZ1 LYS A 10 -8.098 -3.580 -8.194 1.00 1.56 H new ATOM 0 HZ2 LYS A 10 -8.664 -3.974 -9.745 1.00 1.56 H new ATOM 0 HZ3 LYS A 10 -9.739 -3.946 -8.431 1.00 1.56 H new ATOM 143 N SER A 11 -9.845 -10.314 -5.043 1.00 0.65 N ATOM 144 CA SER A 11 -9.009 -10.408 -3.857 1.00 0.64 C ATOM 145 C SER A 11 -8.041 -11.585 -3.951 1.00 0.66 C ATOM 146 O SER A 11 -6.837 -11.427 -3.755 1.00 0.67 O ATOM 147 CB SER A 11 -9.891 -10.547 -2.620 1.00 0.67 C ATOM 148 OG SER A 11 -10.814 -9.477 -2.540 1.00 1.52 O ATOM 0 H SER A 11 -10.845 -10.251 -4.850 1.00 0.65 H new ATOM 0 HA SER A 11 -8.416 -9.497 -3.781 1.00 0.64 H new ATOM 0 HB2 SER A 11 -10.428 -11.495 -2.655 1.00 0.67 H new ATOM 0 HB3 SER A 11 -9.270 -10.565 -1.725 1.00 0.67 H new ATOM 0 HG SER A 11 -11.664 -9.804 -2.177 1.00 1.52 H new ATOM 154 N GLN A 12 -8.564 -12.751 -4.317 1.00 0.72 N ATOM 155 CA GLN A 12 -7.776 -13.974 -4.301 1.00 0.81 C ATOM 156 C GLN A 12 -6.700 -13.994 -5.386 1.00 0.79 C ATOM 157 O GLN A 12 -5.623 -14.560 -5.180 1.00 0.85 O ATOM 158 CB GLN A 12 -8.685 -15.194 -4.438 1.00 0.95 C ATOM 159 CG GLN A 12 -9.683 -15.338 -3.302 1.00 1.19 C ATOM 160 CD GLN A 12 -9.037 -15.209 -1.934 1.00 1.74 C ATOM 161 OE1 GLN A 12 -8.987 -14.125 -1.357 1.00 2.34 O ATOM 162 NE2 GLN A 12 -8.511 -16.309 -1.423 1.00 2.40 N ATOM 0 H GLN A 12 -9.528 -12.873 -4.627 1.00 0.72 H new ATOM 0 HA GLN A 12 -7.263 -14.008 -3.340 1.00 0.81 H new ATOM 0 HB2 GLN A 12 -9.227 -15.129 -5.381 1.00 0.95 H new ATOM 0 HB3 GLN A 12 -8.069 -16.092 -4.486 1.00 0.95 H new ATOM 0 HG2 GLN A 12 -10.458 -14.579 -3.406 1.00 1.19 H new ATOM 0 HG3 GLN A 12 -10.175 -16.308 -3.377 1.00 1.19 H new ATOM 0 HE21 GLN A 12 -8.574 -17.189 -1.934 1.00 2.40 H new ATOM 0 HE22 GLN A 12 -8.042 -16.277 -0.518 1.00 2.40 H new ATOM 171 N ASN A 13 -6.969 -13.378 -6.535 1.00 0.77 N ATOM 172 CA ASN A 13 -5.991 -13.387 -7.621 1.00 0.81 C ATOM 173 C ASN A 13 -4.956 -12.283 -7.420 1.00 0.73 C ATOM 174 O ASN A 13 -3.807 -12.412 -7.845 1.00 0.76 O ATOM 175 CB ASN A 13 -6.671 -13.305 -9.008 1.00 0.95 C ATOM 176 CG ASN A 13 -7.434 -12.015 -9.293 1.00 1.41 C ATOM 177 OD1 ASN A 13 -7.015 -10.919 -8.934 1.00 2.14 O ATOM 178 ND2 ASN A 13 -8.576 -12.152 -9.951 1.00 1.63 N ATOM 0 H ASN A 13 -7.835 -12.877 -6.736 1.00 0.77 H new ATOM 0 HA ASN A 13 -5.465 -14.342 -7.594 1.00 0.81 H new ATOM 0 HB2 ASN A 13 -5.907 -13.431 -9.775 1.00 0.95 H new ATOM 0 HB3 ASN A 13 -7.361 -14.143 -9.104 1.00 0.95 H new ATOM 0 HD21 ASN A 13 -9.138 -11.330 -10.175 1.00 1.63 H new ATOM 0 HD22 ASN A 13 -8.894 -13.079 -10.234 1.00 1.63 H new ATOM 185 N ALA A 14 -5.356 -11.220 -6.732 1.00 0.69 N ATOM 186 CA ALA A 14 -4.434 -10.151 -6.376 1.00 0.66 C ATOM 187 C ALA A 14 -3.445 -10.637 -5.324 1.00 0.59 C ATOM 188 O ALA A 14 -2.238 -10.416 -5.444 1.00 0.61 O ATOM 189 CB ALA A 14 -5.195 -8.934 -5.868 1.00 0.68 C ATOM 0 H ALA A 14 -6.313 -11.076 -6.410 1.00 0.69 H new ATOM 0 HA ALA A 14 -3.880 -9.860 -7.269 1.00 0.66 H new ATOM 0 HB1 ALA A 14 -4.489 -8.146 -5.607 1.00 0.68 H new ATOM 0 HB2 ALA A 14 -5.868 -8.575 -6.646 1.00 0.68 H new ATOM 0 HB3 ALA A 14 -5.774 -9.209 -4.986 1.00 0.68 H new ATOM 195 N ILE A 15 -3.974 -11.321 -4.307 1.00 0.59 N ATOM 196 CA ILE A 15 -3.156 -11.894 -3.235 1.00 0.60 C ATOM 197 C ILE A 15 -2.044 -12.763 -3.807 1.00 0.59 C ATOM 198 O ILE A 15 -0.889 -12.660 -3.399 1.00 0.59 O ATOM 199 CB ILE A 15 -4.010 -12.751 -2.269 1.00 0.72 C ATOM 200 CG1 ILE A 15 -4.995 -11.872 -1.498 1.00 0.87 C ATOM 201 CG2 ILE A 15 -3.120 -13.531 -1.303 1.00 0.77 C ATOM 202 CD1 ILE A 15 -5.986 -12.659 -0.666 1.00 1.80 C ATOM 0 H ILE A 15 -4.974 -11.493 -4.203 1.00 0.59 H new ATOM 0 HA ILE A 15 -2.723 -11.059 -2.684 1.00 0.60 H new ATOM 0 HB ILE A 15 -4.578 -13.467 -2.863 1.00 0.72 H new ATOM 0 HG12 ILE A 15 -4.437 -11.201 -0.845 1.00 0.87 H new ATOM 0 HG13 ILE A 15 -5.542 -11.247 -2.204 1.00 0.87 H new ATOM 0 HG21 ILE A 15 -3.742 -14.126 -0.634 1.00 0.77 H new ATOM 0 HG22 ILE A 15 -2.461 -14.191 -1.867 1.00 0.77 H new ATOM 0 HG23 ILE A 15 -2.521 -12.834 -0.717 1.00 0.77 H new ATOM 0 HD11 ILE A 15 -6.653 -11.971 -0.147 1.00 1.80 H new ATOM 0 HD12 ILE A 15 -6.571 -13.310 -1.316 1.00 1.80 H new ATOM 0 HD13 ILE A 15 -5.449 -13.264 0.065 1.00 1.80 H new ATOM 214 N SER A 16 -2.402 -13.607 -4.767 1.00 0.64 N ATOM 215 CA SER A 16 -1.461 -14.540 -5.360 1.00 0.70 C ATOM 216 C SER A 16 -0.242 -13.812 -5.924 1.00 0.69 C ATOM 217 O SER A 16 0.896 -14.145 -5.593 1.00 0.79 O ATOM 218 CB SER A 16 -2.150 -15.353 -6.461 1.00 0.81 C ATOM 219 OG SER A 16 -1.322 -16.412 -6.915 1.00 1.28 O ATOM 0 H SER A 16 -3.345 -13.662 -5.151 1.00 0.64 H new ATOM 0 HA SER A 16 -1.116 -15.217 -4.579 1.00 0.70 H new ATOM 0 HB2 SER A 16 -3.088 -15.759 -6.083 1.00 0.81 H new ATOM 0 HB3 SER A 16 -2.399 -14.699 -7.297 1.00 0.81 H new ATOM 0 HG SER A 16 -1.788 -16.914 -7.616 1.00 1.28 H new ATOM 225 N GLU A 17 -0.481 -12.799 -6.746 1.00 0.68 N ATOM 226 CA GLU A 17 0.598 -12.124 -7.448 1.00 0.75 C ATOM 227 C GLU A 17 1.476 -11.321 -6.490 1.00 0.69 C ATOM 228 O GLU A 17 2.702 -11.454 -6.512 1.00 0.75 O ATOM 229 CB GLU A 17 0.036 -11.217 -8.542 1.00 0.88 C ATOM 230 CG GLU A 17 1.112 -10.593 -9.412 1.00 1.30 C ATOM 231 CD GLU A 17 0.546 -9.917 -10.639 1.00 1.49 C ATOM 232 OE1 GLU A 17 0.203 -10.629 -11.606 1.00 2.07 O ATOM 233 OE2 GLU A 17 0.458 -8.673 -10.657 1.00 1.70 O ATOM 0 H GLU A 17 -1.411 -12.428 -6.942 1.00 0.68 H new ATOM 0 HA GLU A 17 1.223 -12.889 -7.908 1.00 0.75 H new ATOM 0 HB2 GLU A 17 -0.642 -11.794 -9.171 1.00 0.88 H new ATOM 0 HB3 GLU A 17 -0.554 -10.425 -8.081 1.00 0.88 H new ATOM 0 HG2 GLU A 17 1.671 -9.864 -8.825 1.00 1.30 H new ATOM 0 HG3 GLU A 17 1.818 -11.364 -9.720 1.00 1.30 H new ATOM 240 N VAL A 18 0.857 -10.516 -5.637 1.00 0.64 N ATOM 241 CA VAL A 18 1.613 -9.654 -4.733 1.00 0.69 C ATOM 242 C VAL A 18 2.447 -10.470 -3.747 1.00 0.67 C ATOM 243 O VAL A 18 3.620 -10.172 -3.525 1.00 0.76 O ATOM 244 CB VAL A 18 0.705 -8.665 -3.963 1.00 0.75 C ATOM 245 CG1 VAL A 18 0.034 -7.699 -4.925 1.00 1.59 C ATOM 246 CG2 VAL A 18 -0.335 -9.402 -3.136 1.00 1.43 C ATOM 0 H VAL A 18 -0.157 -10.440 -5.551 1.00 0.64 H new ATOM 0 HA VAL A 18 2.284 -9.070 -5.363 1.00 0.69 H new ATOM 0 HB VAL A 18 1.334 -8.095 -3.279 1.00 0.75 H new ATOM 0 HG11 VAL A 18 -0.601 -7.011 -4.366 1.00 1.59 H new ATOM 0 HG12 VAL A 18 0.795 -7.134 -5.464 1.00 1.59 H new ATOM 0 HG13 VAL A 18 -0.575 -8.258 -5.636 1.00 1.59 H new ATOM 0 HG21 VAL A 18 -0.957 -8.680 -2.607 1.00 1.43 H new ATOM 0 HG22 VAL A 18 -0.960 -10.007 -3.793 1.00 1.43 H new ATOM 0 HG23 VAL A 18 0.165 -10.048 -2.414 1.00 1.43 H new ATOM 256 N MET A 19 1.856 -11.528 -3.197 1.00 0.65 N ATOM 257 CA MET A 19 2.543 -12.366 -2.224 1.00 0.75 C ATOM 258 C MET A 19 3.709 -13.099 -2.882 1.00 0.74 C ATOM 259 O MET A 19 4.736 -13.358 -2.249 1.00 0.78 O ATOM 260 CB MET A 19 1.569 -13.371 -1.599 1.00 0.89 C ATOM 261 CG MET A 19 2.167 -14.179 -0.459 1.00 1.25 C ATOM 262 SD MET A 19 0.985 -15.326 0.281 1.00 2.00 S ATOM 263 CE MET A 19 0.592 -16.362 -1.126 1.00 2.13 C ATOM 0 H MET A 19 0.903 -11.823 -3.410 1.00 0.65 H new ATOM 0 HA MET A 19 2.935 -11.726 -1.434 1.00 0.75 H new ATOM 0 HB2 MET A 19 0.694 -12.834 -1.231 1.00 0.89 H new ATOM 0 HB3 MET A 19 1.221 -14.055 -2.373 1.00 0.89 H new ATOM 0 HG2 MET A 19 3.027 -14.738 -0.828 1.00 1.25 H new ATOM 0 HG3 MET A 19 2.535 -13.498 0.309 1.00 1.25 H new ATOM 0 HE1 MET A 19 0.140 -17.291 -0.779 1.00 2.13 H new ATOM 0 HE2 MET A 19 -0.108 -15.840 -1.778 1.00 2.13 H new ATOM 0 HE3 MET A 19 1.504 -16.587 -1.679 1.00 2.13 H new ATOM 273 N SER A 20 3.554 -13.417 -4.163 1.00 0.75 N ATOM 274 CA SER A 20 4.615 -14.063 -4.915 1.00 0.82 C ATOM 275 C SER A 20 5.776 -13.096 -5.132 1.00 0.82 C ATOM 276 O SER A 20 6.938 -13.504 -5.168 1.00 0.90 O ATOM 277 CB SER A 20 4.089 -14.574 -6.257 1.00 0.91 C ATOM 278 OG SER A 20 3.051 -15.523 -6.067 1.00 1.63 O ATOM 0 H SER A 20 2.704 -13.237 -4.698 1.00 0.75 H new ATOM 0 HA SER A 20 4.975 -14.916 -4.340 1.00 0.82 H new ATOM 0 HB2 SER A 20 3.718 -13.737 -6.849 1.00 0.91 H new ATOM 0 HB3 SER A 20 4.903 -15.028 -6.822 1.00 0.91 H new ATOM 0 HG SER A 20 2.183 -15.068 -6.089 1.00 1.63 H new ATOM 284 N ALA A 21 5.456 -11.809 -5.252 1.00 0.78 N ATOM 285 CA ALA A 21 6.472 -10.780 -5.416 1.00 0.85 C ATOM 286 C ALA A 21 7.170 -10.505 -4.087 1.00 0.82 C ATOM 287 O ALA A 21 8.385 -10.298 -4.041 1.00 0.89 O ATOM 288 CB ALA A 21 5.856 -9.506 -5.977 1.00 0.93 C ATOM 0 H ALA A 21 4.499 -11.457 -5.238 1.00 0.78 H new ATOM 0 HA ALA A 21 7.217 -11.138 -6.126 1.00 0.85 H new ATOM 0 HB1 ALA A 21 6.630 -8.748 -6.093 1.00 0.93 H new ATOM 0 HB2 ALA A 21 5.406 -9.716 -6.947 1.00 0.93 H new ATOM 0 HB3 ALA A 21 5.090 -9.141 -5.293 1.00 0.93 H new ATOM 294 N THR A 22 6.399 -10.519 -3.003 1.00 0.78 N ATOM 295 CA THR A 22 6.946 -10.397 -1.666 1.00 0.83 C ATOM 296 C THR A 22 7.910 -11.550 -1.374 1.00 0.87 C ATOM 297 O THR A 22 8.947 -11.370 -0.736 1.00 0.94 O ATOM 298 CB THR A 22 5.809 -10.373 -0.631 1.00 0.89 C ATOM 299 OG1 THR A 22 4.849 -9.376 -1.000 1.00 1.42 O ATOM 300 CG2 THR A 22 6.338 -10.074 0.754 1.00 1.93 C ATOM 0 H THR A 22 5.384 -10.615 -3.032 1.00 0.78 H new ATOM 0 HA THR A 22 7.501 -9.461 -1.599 1.00 0.83 H new ATOM 0 HB THR A 22 5.340 -11.357 -0.614 1.00 0.89 H new ATOM 0 HG1 THR A 22 3.944 -9.723 -0.854 1.00 1.42 H new ATOM 0 HG21 THR A 22 5.512 -10.063 1.465 1.00 1.93 H new ATOM 0 HG22 THR A 22 7.055 -10.842 1.043 1.00 1.93 H new ATOM 0 HG23 THR A 22 6.829 -9.101 0.754 1.00 1.93 H new ATOM 308 N SER A 23 7.565 -12.733 -1.865 1.00 0.89 N ATOM 309 CA SER A 23 8.443 -13.888 -1.755 1.00 0.99 C ATOM 310 C SER A 23 9.655 -13.719 -2.673 1.00 1.01 C ATOM 311 O SER A 23 10.776 -14.075 -2.311 1.00 1.11 O ATOM 312 CB SER A 23 7.674 -15.168 -2.107 1.00 1.07 C ATOM 313 OG SER A 23 8.488 -16.323 -1.972 1.00 1.55 O ATOM 0 H SER A 23 6.683 -12.917 -2.343 1.00 0.89 H new ATOM 0 HA SER A 23 8.798 -13.967 -0.727 1.00 0.99 H new ATOM 0 HB2 SER A 23 6.803 -15.259 -1.459 1.00 1.07 H new ATOM 0 HB3 SER A 23 7.304 -15.101 -3.130 1.00 1.07 H new ATOM 0 HG SER A 23 7.966 -17.120 -2.202 1.00 1.55 H new ATOM 319 N ALA A 24 9.422 -13.148 -3.854 1.00 0.96 N ATOM 320 CA ALA A 24 10.474 -12.963 -4.845 1.00 1.03 C ATOM 321 C ALA A 24 11.559 -12.018 -4.343 1.00 1.01 C ATOM 322 O ALA A 24 12.747 -12.303 -4.480 1.00 1.10 O ATOM 323 CB ALA A 24 9.889 -12.444 -6.148 1.00 1.05 C ATOM 0 H ALA A 24 8.507 -12.805 -4.146 1.00 0.96 H new ATOM 0 HA ALA A 24 10.934 -13.935 -5.022 1.00 1.03 H new ATOM 0 HB1 ALA A 24 10.688 -12.311 -6.878 1.00 1.05 H new ATOM 0 HB2 ALA A 24 9.162 -13.160 -6.531 1.00 1.05 H new ATOM 0 HB3 ALA A 24 9.397 -11.488 -5.971 1.00 1.05 H new ATOM 329 N ILE A 25 11.154 -10.897 -3.753 1.00 0.93 N ATOM 330 CA ILE A 25 12.117 -9.916 -3.262 1.00 0.93 C ATOM 331 C ILE A 25 12.914 -10.476 -2.085 1.00 0.97 C ATOM 332 O ILE A 25 14.067 -10.107 -1.876 1.00 1.02 O ATOM 333 CB ILE A 25 11.446 -8.581 -2.866 1.00 0.89 C ATOM 334 CG1 ILE A 25 12.511 -7.556 -2.457 1.00 1.23 C ATOM 335 CG2 ILE A 25 10.438 -8.789 -1.746 1.00 1.11 C ATOM 336 CD1 ILE A 25 11.949 -6.192 -2.114 1.00 1.56 C ATOM 0 H ILE A 25 10.176 -10.647 -3.604 1.00 0.93 H new ATOM 0 HA ILE A 25 12.800 -9.707 -4.086 1.00 0.93 H new ATOM 0 HB ILE A 25 10.906 -8.196 -3.731 1.00 0.89 H new ATOM 0 HG12 ILE A 25 13.059 -7.939 -1.596 1.00 1.23 H new ATOM 0 HG13 ILE A 25 13.229 -7.448 -3.270 1.00 1.23 H new ATOM 0 HG21 ILE A 25 9.980 -7.834 -1.486 1.00 1.11 H new ATOM 0 HG22 ILE A 25 9.666 -9.484 -2.076 1.00 1.11 H new ATOM 0 HG23 ILE A 25 10.945 -9.198 -0.872 1.00 1.11 H new ATOM 0 HD11 ILE A 25 12.763 -5.523 -1.835 1.00 1.56 H new ATOM 0 HD12 ILE A 25 11.426 -5.786 -2.980 1.00 1.56 H new ATOM 0 HD13 ILE A 25 11.253 -6.284 -1.280 1.00 1.56 H new ATOM 348 N ASN A 26 12.305 -11.381 -1.329 1.00 0.98 N ATOM 349 CA ASN A 26 13.019 -12.077 -0.268 1.00 1.08 C ATOM 350 C ASN A 26 14.138 -12.911 -0.872 1.00 1.12 C ATOM 351 O ASN A 26 15.254 -12.942 -0.358 1.00 1.20 O ATOM 352 CB ASN A 26 12.063 -12.963 0.539 1.00 1.15 C ATOM 353 CG ASN A 26 12.784 -13.848 1.543 1.00 1.48 C ATOM 354 OD1 ASN A 26 13.151 -14.982 1.238 1.00 1.96 O ATOM 355 ND2 ASN A 26 12.978 -13.345 2.753 1.00 2.02 N ATOM 0 H ASN A 26 11.326 -11.648 -1.430 1.00 0.98 H new ATOM 0 HA ASN A 26 13.448 -11.341 0.412 1.00 1.08 H new ATOM 0 HB2 ASN A 26 11.348 -12.332 1.066 1.00 1.15 H new ATOM 0 HB3 ASN A 26 11.491 -13.590 -0.145 1.00 1.15 H new ATOM 0 HD21 ASN A 26 13.446 -13.902 3.468 1.00 2.02 H new ATOM 0 HD22 ASN A 26 12.660 -12.400 2.970 1.00 2.02 H new ATOM 362 N GLY A 27 13.830 -13.554 -1.995 1.00 1.12 N ATOM 363 CA GLY A 27 14.815 -14.336 -2.713 1.00 1.20 C ATOM 364 C GLY A 27 15.891 -13.473 -3.347 1.00 1.23 C ATOM 365 O GLY A 27 17.000 -13.942 -3.613 1.00 1.36 O ATOM 0 H GLY A 27 12.904 -13.545 -2.422 1.00 1.12 H new ATOM 0 HA2 GLY A 27 15.279 -15.046 -2.029 1.00 1.20 H new ATOM 0 HA3 GLY A 27 14.317 -14.919 -3.488 1.00 1.20 H new ATOM 369 N LEU A 28 15.566 -12.214 -3.600 1.00 1.16 N ATOM 370 CA LEU A 28 16.536 -11.266 -4.128 1.00 1.22 C ATOM 371 C LEU A 28 17.425 -10.747 -3.001 1.00 1.28 C ATOM 372 O LEU A 28 18.607 -10.467 -3.194 1.00 1.42 O ATOM 373 CB LEU A 28 15.827 -10.088 -4.805 1.00 1.18 C ATOM 374 CG LEU A 28 14.864 -10.458 -5.937 1.00 1.39 C ATOM 375 CD1 LEU A 28 14.271 -9.202 -6.559 1.00 1.69 C ATOM 376 CD2 LEU A 28 15.569 -11.296 -6.995 1.00 1.81 C ATOM 0 H LEU A 28 14.636 -11.824 -3.448 1.00 1.16 H new ATOM 0 HA LEU A 28 17.150 -11.779 -4.868 1.00 1.22 H new ATOM 0 HB2 LEU A 28 15.272 -9.536 -4.046 1.00 1.18 H new ATOM 0 HB3 LEU A 28 16.584 -9.411 -5.202 1.00 1.18 H new ATOM 0 HG LEU A 28 14.054 -11.054 -5.517 1.00 1.39 H new ATOM 0 HD11 LEU A 28 13.589 -9.481 -7.362 1.00 1.69 H new ATOM 0 HD12 LEU A 28 13.727 -8.642 -5.799 1.00 1.69 H new ATOM 0 HD13 LEU A 28 15.072 -8.583 -6.962 1.00 1.69 H new ATOM 0 HD21 LEU A 28 14.865 -11.547 -7.789 1.00 1.81 H new ATOM 0 HD22 LEU A 28 16.401 -10.729 -7.413 1.00 1.81 H new ATOM 0 HD23 LEU A 28 15.946 -12.213 -6.541 1.00 1.81 H new ATOM 388 N TYR A 29 16.841 -10.635 -1.819 1.00 1.22 N ATOM 389 CA TYR A 29 17.531 -10.079 -0.667 1.00 1.31 C ATOM 390 C TYR A 29 17.910 -11.162 0.334 1.00 1.58 C ATOM 391 O TYR A 29 17.974 -10.908 1.536 1.00 2.30 O ATOM 392 CB TYR A 29 16.659 -9.015 0.001 1.00 1.13 C ATOM 393 CG TYR A 29 16.663 -7.682 -0.718 1.00 0.94 C ATOM 394 CD1 TYR A 29 16.178 -7.561 -2.013 1.00 0.91 C ATOM 395 CD2 TYR A 29 17.157 -6.543 -0.095 1.00 0.90 C ATOM 396 CE1 TYR A 29 16.185 -6.343 -2.668 1.00 0.87 C ATOM 397 CE2 TYR A 29 17.166 -5.323 -0.741 1.00 0.84 C ATOM 398 CZ TYR A 29 16.681 -5.228 -2.028 1.00 0.85 C ATOM 399 OH TYR A 29 16.689 -4.015 -2.678 1.00 0.96 O ATOM 0 H TYR A 29 15.881 -10.925 -1.632 1.00 1.22 H new ATOM 0 HA TYR A 29 18.454 -9.617 -1.017 1.00 1.31 H new ATOM 0 HB2 TYR A 29 15.635 -9.383 0.060 1.00 1.13 H new ATOM 0 HB3 TYR A 29 17.003 -8.866 1.024 1.00 1.13 H new ATOM 0 HD1 TYR A 29 15.789 -8.433 -2.518 1.00 0.91 H new ATOM 0 HD2 TYR A 29 17.541 -6.613 0.912 1.00 0.90 H new ATOM 0 HE1 TYR A 29 15.804 -6.266 -3.676 1.00 0.87 H new ATOM 0 HE2 TYR A 29 17.551 -4.447 -0.240 1.00 0.84 H new ATOM 0 HH TYR A 29 15.942 -3.978 -3.311 1.00 0.96 H new ATOM 409 N ILE A 30 18.209 -12.351 -0.180 1.00 1.25 N ATOM 410 CA ILE A 30 18.618 -13.486 0.650 1.00 1.45 C ATOM 411 C ILE A 30 19.882 -13.158 1.446 1.00 1.45 C ATOM 412 O ILE A 30 19.990 -13.498 2.624 1.00 1.99 O ATOM 413 CB ILE A 30 18.859 -14.749 -0.219 1.00 1.67 C ATOM 414 CG1 ILE A 30 17.529 -15.287 -0.753 1.00 1.88 C ATOM 415 CG2 ILE A 30 19.597 -15.832 0.562 1.00 1.89 C ATOM 416 CD1 ILE A 30 16.617 -15.845 0.321 1.00 2.50 C ATOM 0 H ILE A 30 18.176 -12.557 -1.178 1.00 1.25 H new ATOM 0 HA ILE A 30 17.807 -13.689 1.350 1.00 1.45 H new ATOM 0 HB ILE A 30 19.488 -14.461 -1.061 1.00 1.67 H new ATOM 0 HG12 ILE A 30 17.009 -14.486 -1.278 1.00 1.88 H new ATOM 0 HG13 ILE A 30 17.732 -16.068 -1.485 1.00 1.88 H new ATOM 0 HG21 ILE A 30 19.749 -16.702 -0.077 1.00 1.89 H new ATOM 0 HG22 ILE A 30 20.564 -15.449 0.890 1.00 1.89 H new ATOM 0 HG23 ILE A 30 19.007 -16.120 1.432 1.00 1.89 H new ATOM 0 HD11 ILE A 30 15.696 -16.206 -0.136 1.00 2.50 H new ATOM 0 HD12 ILE A 30 17.117 -16.669 0.831 1.00 2.50 H new ATOM 0 HD13 ILE A 30 16.382 -15.062 1.042 1.00 2.50 H new ATOM 428 N GLY A 31 20.820 -12.475 0.804 1.00 1.43 N ATOM 429 CA GLY A 31 22.056 -12.104 1.472 1.00 1.69 C ATOM 430 C GLY A 31 21.920 -10.819 2.269 1.00 1.52 C ATOM 431 O GLY A 31 22.912 -10.262 2.739 1.00 1.93 O ATOM 0 H GLY A 31 20.749 -12.170 -0.167 1.00 1.43 H new ATOM 0 HA2 GLY A 31 22.362 -12.911 2.138 1.00 1.69 H new ATOM 0 HA3 GLY A 31 22.846 -11.986 0.730 1.00 1.69 H new ATOM 435 N GLN A 32 20.687 -10.348 2.410 1.00 1.16 N ATOM 436 CA GLN A 32 20.403 -9.126 3.147 1.00 1.10 C ATOM 437 C GLN A 32 19.560 -9.431 4.369 1.00 1.14 C ATOM 438 O GLN A 32 20.051 -9.367 5.495 1.00 1.93 O ATOM 439 CB GLN A 32 19.695 -8.095 2.262 1.00 1.09 C ATOM 440 CG GLN A 32 20.627 -7.333 1.324 1.00 1.38 C ATOM 441 CD GLN A 32 21.194 -8.169 0.189 1.00 2.15 C ATOM 442 OE1 GLN A 32 22.326 -7.963 -0.245 1.00 2.74 O ATOM 443 NE2 GLN A 32 20.406 -9.097 -0.322 1.00 2.84 N ATOM 0 H GLN A 32 19.861 -10.800 2.019 1.00 1.16 H new ATOM 0 HA GLN A 32 21.354 -8.701 3.468 1.00 1.10 H new ATOM 0 HB2 GLN A 32 18.935 -8.603 1.668 1.00 1.09 H new ATOM 0 HB3 GLN A 32 19.176 -7.380 2.900 1.00 1.09 H new ATOM 0 HG2 GLN A 32 20.085 -6.487 0.901 1.00 1.38 H new ATOM 0 HG3 GLN A 32 21.453 -6.924 1.906 1.00 1.38 H new ATOM 0 HE21 GLN A 32 19.472 -9.241 0.062 1.00 2.84 H new ATOM 0 HE22 GLN A 32 20.731 -9.669 -1.101 1.00 2.84 H new ATOM 452 N THR A 33 18.292 -9.762 4.133 1.00 1.15 N ATOM 453 CA THR A 33 17.311 -10.005 5.202 1.00 1.20 C ATOM 454 C THR A 33 16.972 -8.713 5.951 1.00 1.09 C ATOM 455 O THR A 33 15.820 -8.473 6.323 1.00 1.21 O ATOM 456 CB THR A 33 17.812 -11.077 6.193 1.00 1.54 C ATOM 457 OG1 THR A 33 18.212 -12.248 5.467 1.00 1.91 O ATOM 458 CG2 THR A 33 16.732 -11.449 7.201 1.00 1.83 C ATOM 0 H THR A 33 17.910 -9.871 3.194 1.00 1.15 H new ATOM 0 HA THR A 33 16.403 -10.375 4.725 1.00 1.20 H new ATOM 0 HB THR A 33 18.660 -10.666 6.740 1.00 1.54 H new ATOM 0 HG1 THR A 33 18.532 -12.929 6.095 1.00 1.91 H new ATOM 0 HG21 THR A 33 17.117 -12.206 7.884 1.00 1.83 H new ATOM 0 HG22 THR A 33 16.442 -10.564 7.767 1.00 1.83 H new ATOM 0 HG23 THR A 33 15.863 -11.844 6.674 1.00 1.83 H new ATOM 466 N SER A 34 17.980 -7.883 6.143 1.00 1.12 N ATOM 467 CA SER A 34 17.809 -6.591 6.762 1.00 1.35 C ATOM 468 C SER A 34 17.109 -5.650 5.793 1.00 1.13 C ATOM 469 O SER A 34 16.165 -4.963 6.169 1.00 1.18 O ATOM 470 CB SER A 34 19.174 -6.025 7.164 1.00 1.82 C ATOM 471 OG SER A 34 19.047 -4.771 7.811 1.00 2.42 O ATOM 0 H SER A 34 18.941 -8.090 5.872 1.00 1.12 H new ATOM 0 HA SER A 34 17.196 -6.694 7.658 1.00 1.35 H new ATOM 0 HB2 SER A 34 19.679 -6.728 7.827 1.00 1.82 H new ATOM 0 HB3 SER A 34 19.799 -5.916 6.278 1.00 1.82 H new ATOM 0 HG SER A 34 19.935 -4.438 8.056 1.00 2.42 H new ATOM 477 N TYR A 35 17.586 -5.649 4.539 1.00 0.96 N ATOM 478 CA TYR A 35 17.063 -4.781 3.472 1.00 0.78 C ATOM 479 C TYR A 35 17.583 -3.358 3.631 1.00 0.74 C ATOM 480 O TYR A 35 17.561 -2.581 2.678 1.00 0.68 O ATOM 481 CB TYR A 35 15.522 -4.751 3.443 1.00 0.90 C ATOM 482 CG TYR A 35 14.853 -6.013 2.929 1.00 0.97 C ATOM 483 CD1 TYR A 35 15.396 -7.270 3.162 1.00 1.27 C ATOM 484 CD2 TYR A 35 13.656 -5.937 2.223 1.00 0.97 C ATOM 485 CE1 TYR A 35 14.773 -8.414 2.702 1.00 1.37 C ATOM 486 CE2 TYR A 35 13.028 -7.077 1.759 1.00 1.12 C ATOM 487 CZ TYR A 35 13.590 -8.311 2.002 1.00 1.23 C ATOM 488 OH TYR A 35 12.966 -9.447 1.544 1.00 1.41 O ATOM 0 H TYR A 35 18.349 -6.253 4.235 1.00 0.96 H new ATOM 0 HA TYR A 35 17.415 -5.203 2.531 1.00 0.78 H new ATOM 0 HB2 TYR A 35 15.161 -4.555 4.453 1.00 0.90 H new ATOM 0 HB3 TYR A 35 15.204 -3.913 2.822 1.00 0.90 H new ATOM 0 HD1 TYR A 35 16.321 -7.355 3.712 1.00 1.27 H new ATOM 0 HD2 TYR A 35 13.211 -4.971 2.035 1.00 0.97 H new ATOM 0 HE1 TYR A 35 15.210 -9.383 2.890 1.00 1.37 H new ATOM 0 HE2 TYR A 35 12.102 -7.001 1.209 1.00 1.12 H new ATOM 0 HH TYR A 35 12.875 -9.400 0.569 1.00 1.41 H new ATOM 498 N SER A 36 18.064 -3.038 4.841 1.00 0.89 N ATOM 499 CA SER A 36 18.382 -1.657 5.262 1.00 1.03 C ATOM 500 C SER A 36 17.211 -0.703 5.002 1.00 1.25 C ATOM 501 O SER A 36 17.341 0.515 5.158 1.00 2.03 O ATOM 502 CB SER A 36 19.669 -1.145 4.587 1.00 1.37 C ATOM 503 OG SER A 36 19.547 -1.067 3.175 1.00 2.08 O ATOM 0 H SER A 36 18.246 -3.733 5.565 1.00 0.89 H new ATOM 0 HA SER A 36 18.555 -1.682 6.338 1.00 1.03 H new ATOM 0 HB2 SER A 36 19.916 -0.160 4.982 1.00 1.37 H new ATOM 0 HB3 SER A 36 20.497 -1.807 4.841 1.00 1.37 H new ATOM 0 HG SER A 36 18.688 -1.450 2.899 1.00 2.08 H new ATOM 509 N GLY A 37 16.061 -1.271 4.628 1.00 1.42 N ATOM 510 CA GLY A 37 14.934 -0.485 4.167 1.00 1.83 C ATOM 511 C GLY A 37 15.250 0.315 2.915 1.00 1.52 C ATOM 512 O GLY A 37 14.367 0.943 2.338 1.00 1.88 O ATOM 0 H GLY A 37 15.895 -2.277 4.639 1.00 1.42 H new ATOM 0 HA2 GLY A 37 14.092 -1.147 3.967 1.00 1.83 H new ATOM 0 HA3 GLY A 37 14.623 0.196 4.959 1.00 1.83 H new ATOM 516 N LEU A 38 16.519 0.266 2.488 1.00 0.95 N ATOM 517 CA LEU A 38 17.064 1.202 1.510 1.00 0.77 C ATOM 518 C LEU A 38 16.674 2.629 1.870 1.00 0.68 C ATOM 519 O LEU A 38 16.655 3.521 1.019 1.00 0.66 O ATOM 520 CB LEU A 38 16.608 0.834 0.106 1.00 0.68 C ATOM 521 CG LEU A 38 17.157 -0.495 -0.408 1.00 0.87 C ATOM 522 CD1 LEU A 38 16.615 -0.800 -1.793 1.00 1.11 C ATOM 523 CD2 LEU A 38 18.677 -0.479 -0.424 1.00 1.19 C ATOM 0 H LEU A 38 17.193 -0.426 2.815 1.00 0.95 H new ATOM 0 HA LEU A 38 18.152 1.139 1.529 1.00 0.77 H new ATOM 0 HB2 LEU A 38 15.519 0.794 0.090 1.00 0.68 H new ATOM 0 HB3 LEU A 38 16.908 1.627 -0.580 1.00 0.68 H new ATOM 0 HG LEU A 38 16.829 -1.282 0.271 1.00 0.87 H new ATOM 0 HD11 LEU A 38 17.019 -1.751 -2.140 1.00 1.11 H new ATOM 0 HD12 LEU A 38 15.527 -0.860 -1.753 1.00 1.11 H new ATOM 0 HD13 LEU A 38 16.909 -0.008 -2.481 1.00 1.11 H new ATOM 0 HD21 LEU A 38 19.047 -1.435 -0.793 1.00 1.19 H new ATOM 0 HD22 LEU A 38 19.026 0.322 -1.076 1.00 1.19 H new ATOM 0 HD23 LEU A 38 19.050 -0.312 0.587 1.00 1.19 H new ATOM 535 N ASP A 39 16.412 2.823 3.161 1.00 0.76 N ATOM 536 CA ASP A 39 15.997 4.111 3.707 1.00 0.85 C ATOM 537 C ASP A 39 16.993 5.182 3.319 1.00 0.82 C ATOM 538 O ASP A 39 16.616 6.286 2.951 1.00 0.90 O ATOM 539 CB ASP A 39 15.884 4.025 5.234 1.00 1.08 C ATOM 540 CG ASP A 39 15.503 5.344 5.882 1.00 1.59 C ATOM 541 OD1 ASP A 39 16.400 6.175 6.138 1.00 1.84 O ATOM 542 OD2 ASP A 39 14.297 5.571 6.109 1.00 2.42 O ATOM 0 H ASP A 39 16.483 2.085 3.861 1.00 0.76 H new ATOM 0 HA ASP A 39 15.021 4.370 3.297 1.00 0.85 H new ATOM 0 HB2 ASP A 39 15.141 3.272 5.495 1.00 1.08 H new ATOM 0 HB3 ASP A 39 16.836 3.688 5.644 1.00 1.08 H new ATOM 547 N SER A 40 18.266 4.821 3.369 1.00 0.82 N ATOM 548 CA SER A 40 19.337 5.726 2.986 1.00 0.94 C ATOM 549 C SER A 40 19.149 6.240 1.556 1.00 0.89 C ATOM 550 O SER A 40 19.176 7.449 1.310 1.00 1.00 O ATOM 551 CB SER A 40 20.675 5.004 3.122 1.00 1.13 C ATOM 552 OG SER A 40 20.597 3.699 2.570 1.00 1.71 O ATOM 0 H SER A 40 18.583 3.901 3.673 1.00 0.82 H new ATOM 0 HA SER A 40 19.318 6.592 3.648 1.00 0.94 H new ATOM 0 HB2 SER A 40 21.454 5.573 2.615 1.00 1.13 H new ATOM 0 HB3 SER A 40 20.957 4.944 4.173 1.00 1.13 H new ATOM 0 HG SER A 40 21.464 3.252 2.664 1.00 1.71 H new ATOM 558 N THR A 41 18.933 5.321 0.623 1.00 0.81 N ATOM 559 CA THR A 41 18.820 5.664 -0.788 1.00 0.85 C ATOM 560 C THR A 41 17.484 6.336 -1.118 1.00 0.79 C ATOM 561 O THR A 41 17.383 7.088 -2.086 1.00 0.95 O ATOM 562 CB THR A 41 19.004 4.416 -1.675 1.00 0.92 C ATOM 563 OG1 THR A 41 18.171 3.347 -1.207 1.00 1.25 O ATOM 564 CG2 THR A 41 20.455 3.960 -1.682 1.00 1.38 C ATOM 0 H THR A 41 18.832 4.326 0.821 1.00 0.81 H new ATOM 0 HA THR A 41 19.616 6.378 -0.998 1.00 0.85 H new ATOM 0 HB THR A 41 18.716 4.684 -2.692 1.00 0.92 H new ATOM 0 HG1 THR A 41 17.540 3.691 -0.541 1.00 1.25 H new ATOM 0 HG21 THR A 41 20.556 3.078 -2.315 1.00 1.38 H new ATOM 0 HG22 THR A 41 21.086 4.760 -2.070 1.00 1.38 H new ATOM 0 HG23 THR A 41 20.764 3.714 -0.666 1.00 1.38 H new ATOM 572 N ILE A 42 16.458 6.067 -0.321 1.00 0.67 N ATOM 573 CA ILE A 42 15.145 6.654 -0.568 1.00 0.67 C ATOM 574 C ILE A 42 15.037 8.020 0.106 1.00 0.64 C ATOM 575 O ILE A 42 14.364 8.928 -0.391 1.00 0.68 O ATOM 576 CB ILE A 42 14.008 5.730 -0.075 1.00 0.73 C ATOM 577 CG1 ILE A 42 14.146 4.338 -0.704 1.00 0.82 C ATOM 578 CG2 ILE A 42 12.641 6.323 -0.402 1.00 0.78 C ATOM 579 CD1 ILE A 42 14.331 4.365 -2.207 1.00 0.87 C ATOM 0 H ILE A 42 16.506 5.454 0.493 1.00 0.67 H new ATOM 0 HA ILE A 42 15.037 6.776 -1.646 1.00 0.67 H new ATOM 0 HB ILE A 42 14.089 5.639 1.008 1.00 0.73 H new ATOM 0 HG12 ILE A 42 14.996 3.827 -0.251 1.00 0.82 H new ATOM 0 HG13 ILE A 42 13.258 3.752 -0.466 1.00 0.82 H new ATOM 0 HG21 ILE A 42 11.859 5.653 -0.044 1.00 0.78 H new ATOM 0 HG22 ILE A 42 12.539 7.293 0.085 1.00 0.78 H new ATOM 0 HG23 ILE A 42 12.547 6.447 -1.481 1.00 0.78 H new ATOM 0 HD11 ILE A 42 14.421 3.345 -2.581 1.00 0.87 H new ATOM 0 HD12 ILE A 42 13.470 4.847 -2.671 1.00 0.87 H new ATOM 0 HD13 ILE A 42 15.235 4.923 -2.452 1.00 0.87 H new ATOM 591 N LEU A 43 15.727 8.160 1.225 1.00 0.64 N ATOM 592 CA LEU A 43 15.761 9.410 1.971 1.00 0.70 C ATOM 593 C LEU A 43 16.343 10.532 1.118 1.00 0.75 C ATOM 594 O LEU A 43 15.777 11.622 1.027 1.00 0.75 O ATOM 595 CB LEU A 43 16.630 9.239 3.216 1.00 0.85 C ATOM 596 CG LEU A 43 16.556 10.380 4.221 1.00 1.07 C ATOM 597 CD1 LEU A 43 15.213 10.373 4.931 1.00 1.20 C ATOM 598 CD2 LEU A 43 17.695 10.283 5.222 1.00 1.43 C ATOM 0 H LEU A 43 16.280 7.412 1.643 1.00 0.64 H new ATOM 0 HA LEU A 43 14.740 9.668 2.254 1.00 0.70 H new ATOM 0 HB2 LEU A 43 16.340 8.315 3.717 1.00 0.85 H new ATOM 0 HB3 LEU A 43 17.667 9.120 2.902 1.00 0.85 H new ATOM 0 HG LEU A 43 16.655 11.323 3.684 1.00 1.07 H new ATOM 0 HD11 LEU A 43 15.175 11.195 5.646 1.00 1.20 H new ATOM 0 HD12 LEU A 43 14.414 10.492 4.199 1.00 1.20 H new ATOM 0 HD13 LEU A 43 15.085 9.427 5.458 1.00 1.20 H new ATOM 0 HD21 LEU A 43 17.626 11.107 5.933 1.00 1.43 H new ATOM 0 HD22 LEU A 43 17.629 9.336 5.757 1.00 1.43 H new ATOM 0 HD23 LEU A 43 18.648 10.337 4.695 1.00 1.43 H new ATOM 610 N LEU A 44 17.487 10.251 0.502 1.00 0.85 N ATOM 611 CA LEU A 44 18.173 11.229 -0.337 1.00 0.98 C ATOM 612 C LEU A 44 17.417 11.476 -1.641 1.00 0.92 C ATOM 613 O LEU A 44 17.702 12.435 -2.360 1.00 1.03 O ATOM 614 CB LEU A 44 19.614 10.772 -0.623 1.00 1.19 C ATOM 615 CG LEU A 44 19.777 9.398 -1.294 1.00 1.33 C ATOM 616 CD1 LEU A 44 19.552 9.482 -2.798 1.00 1.54 C ATOM 617 CD2 LEU A 44 21.156 8.830 -1.003 1.00 1.66 C ATOM 0 H LEU A 44 17.961 9.350 0.568 1.00 0.85 H new ATOM 0 HA LEU A 44 18.206 12.173 0.208 1.00 0.98 H new ATOM 0 HB2 LEU A 44 20.090 11.520 -1.257 1.00 1.19 H new ATOM 0 HB3 LEU A 44 20.161 10.759 0.320 1.00 1.19 H new ATOM 0 HG LEU A 44 19.020 8.733 -0.878 1.00 1.33 H new ATOM 0 HD11 LEU A 44 19.675 8.493 -3.240 1.00 1.54 H new ATOM 0 HD12 LEU A 44 18.543 9.845 -2.995 1.00 1.54 H new ATOM 0 HD13 LEU A 44 20.277 10.168 -3.237 1.00 1.54 H new ATOM 0 HD21 LEU A 44 21.258 7.857 -1.484 1.00 1.66 H new ATOM 0 HD22 LEU A 44 21.917 9.507 -1.390 1.00 1.66 H new ATOM 0 HD23 LEU A 44 21.283 8.717 0.074 1.00 1.66 H new ATOM 629 N ASN A 45 16.460 10.602 -1.941 1.00 0.84 N ATOM 630 CA ASN A 45 15.674 10.714 -3.164 1.00 0.91 C ATOM 631 C ASN A 45 14.734 11.904 -3.086 1.00 0.88 C ATOM 632 O ASN A 45 14.843 12.847 -3.867 1.00 1.02 O ATOM 633 CB ASN A 45 14.881 9.427 -3.408 1.00 1.01 C ATOM 634 CG ASN A 45 13.879 9.551 -4.543 1.00 1.17 C ATOM 635 OD1 ASN A 45 12.719 9.907 -4.325 1.00 1.88 O ATOM 636 ND2 ASN A 45 14.315 9.264 -5.759 1.00 1.32 N ATOM 0 H ASN A 45 16.211 9.807 -1.352 1.00 0.84 H new ATOM 0 HA ASN A 45 16.357 10.867 -3.999 1.00 0.91 H new ATOM 0 HB2 ASN A 45 15.575 8.616 -3.631 1.00 1.01 H new ATOM 0 HB3 ASN A 45 14.354 9.153 -2.494 1.00 1.01 H new ATOM 0 HD21 ASN A 45 13.684 9.334 -6.557 1.00 1.32 H new ATOM 0 HD22 ASN A 45 15.283 8.973 -5.898 1.00 1.32 H new ATOM 643 N THR A 46 13.809 11.856 -2.147 1.00 0.79 N ATOM 644 CA THR A 46 12.954 12.989 -1.890 1.00 0.85 C ATOM 645 C THR A 46 13.493 13.708 -0.667 1.00 0.79 C ATOM 646 O THR A 46 13.244 13.276 0.453 1.00 0.68 O ATOM 647 CB THR A 46 11.490 12.574 -1.661 1.00 0.93 C ATOM 648 OG1 THR A 46 11.133 11.501 -2.547 1.00 1.15 O ATOM 649 CG2 THR A 46 10.563 13.753 -1.906 1.00 1.12 C ATOM 0 H THR A 46 13.634 11.045 -1.553 1.00 0.79 H new ATOM 0 HA THR A 46 12.958 13.642 -2.763 1.00 0.85 H new ATOM 0 HB THR A 46 11.387 12.241 -0.628 1.00 0.93 H new ATOM 0 HG1 THR A 46 11.900 11.277 -3.115 1.00 1.15 H new ATOM 0 HG21 THR A 46 9.531 13.445 -1.740 1.00 1.12 H new ATOM 0 HG22 THR A 46 10.815 14.562 -1.220 1.00 1.12 H new ATOM 0 HG23 THR A 46 10.678 14.099 -2.933 1.00 1.12 H new ATOM 657 N SER A 47 14.228 14.790 -0.927 1.00 0.97 N ATOM 658 CA SER A 47 15.099 15.466 0.043 1.00 1.13 C ATOM 659 C SER A 47 14.680 15.300 1.507 1.00 1.06 C ATOM 660 O SER A 47 13.959 16.139 2.061 1.00 1.32 O ATOM 661 CB SER A 47 15.180 16.945 -0.311 1.00 1.29 C ATOM 662 OG SER A 47 15.599 17.117 -1.655 1.00 1.87 O ATOM 0 H SER A 47 14.236 15.235 -1.845 1.00 0.97 H new ATOM 0 HA SER A 47 16.074 14.984 -0.032 1.00 1.13 H new ATOM 0 HB2 SER A 47 14.206 17.413 -0.166 1.00 1.29 H new ATOM 0 HB3 SER A 47 15.878 17.447 0.360 1.00 1.29 H new ATOM 0 HG SER A 47 15.643 18.073 -1.864 1.00 1.87 H new ATOM 668 N ALA A 48 15.116 14.183 2.101 1.00 0.92 N ATOM 669 CA ALA A 48 14.988 13.922 3.542 1.00 0.97 C ATOM 670 C ALA A 48 13.564 13.534 3.956 1.00 0.88 C ATOM 671 O ALA A 48 13.373 12.828 4.948 1.00 1.00 O ATOM 672 CB ALA A 48 15.490 15.104 4.359 1.00 1.22 C ATOM 0 H ALA A 48 15.572 13.427 1.591 1.00 0.92 H new ATOM 0 HA ALA A 48 15.618 13.059 3.755 1.00 0.97 H new ATOM 0 HB1 ALA A 48 15.384 14.884 5.421 1.00 1.22 H new ATOM 0 HB2 ALA A 48 16.540 15.285 4.129 1.00 1.22 H new ATOM 0 HB3 ALA A 48 14.906 15.991 4.112 1.00 1.22 H new ATOM 678 N ILE A 49 12.571 14.000 3.219 1.00 0.78 N ATOM 679 CA ILE A 49 11.195 13.607 3.454 1.00 0.75 C ATOM 680 C ILE A 49 10.570 13.077 2.171 1.00 0.62 C ATOM 681 O ILE A 49 10.389 13.827 1.212 1.00 0.65 O ATOM 682 CB ILE A 49 10.334 14.770 4.003 1.00 0.86 C ATOM 683 CG1 ILE A 49 11.000 16.137 3.790 1.00 1.17 C ATOM 684 CG2 ILE A 49 10.017 14.551 5.476 1.00 0.95 C ATOM 685 CD1 ILE A 49 10.845 16.687 2.386 1.00 1.93 C ATOM 0 H ILE A 49 12.695 14.656 2.448 1.00 0.78 H new ATOM 0 HA ILE A 49 11.216 12.822 4.210 1.00 0.75 H new ATOM 0 HB ILE A 49 9.402 14.776 3.438 1.00 0.86 H new ATOM 0 HG12 ILE A 49 10.576 16.850 4.497 1.00 1.17 H new ATOM 0 HG13 ILE A 49 12.062 16.052 4.021 1.00 1.17 H new ATOM 0 HG21 ILE A 49 9.411 15.379 5.845 1.00 0.95 H new ATOM 0 HG22 ILE A 49 9.467 13.617 5.595 1.00 0.95 H new ATOM 0 HG23 ILE A 49 10.946 14.500 6.044 1.00 0.95 H new ATOM 0 HD11 ILE A 49 11.343 17.654 2.317 1.00 1.93 H new ATOM 0 HD12 ILE A 49 11.295 15.996 1.673 1.00 1.93 H new ATOM 0 HD13 ILE A 49 9.786 16.807 2.157 1.00 1.93 H new ATOM 697 N PRO A 50 10.251 11.771 2.120 1.00 0.57 N ATOM 698 CA PRO A 50 9.655 11.156 0.940 1.00 0.52 C ATOM 699 C PRO A 50 8.213 11.616 0.734 1.00 0.53 C ATOM 700 O PRO A 50 7.257 10.934 1.097 1.00 0.53 O ATOM 701 CB PRO A 50 9.735 9.645 1.206 1.00 0.54 C ATOM 702 CG PRO A 50 10.549 9.495 2.455 1.00 0.66 C ATOM 703 CD PRO A 50 10.434 10.796 3.201 1.00 0.68 C ATOM 0 HA PRO A 50 10.177 11.437 0.025 1.00 0.52 H new ATOM 0 HB2 PRO A 50 8.741 9.217 1.333 1.00 0.54 H new ATOM 0 HB3 PRO A 50 10.202 9.125 0.370 1.00 0.54 H new ATOM 0 HG2 PRO A 50 10.180 8.667 3.061 1.00 0.66 H new ATOM 0 HG3 PRO A 50 11.590 9.276 2.215 1.00 0.66 H new ATOM 0 HD2 PRO A 50 9.591 10.794 3.892 1.00 0.68 H new ATOM 0 HD3 PRO A 50 11.327 11.006 3.789 1.00 0.68 H new ATOM 711 N ASP A 51 8.092 12.803 0.158 1.00 0.59 N ATOM 712 CA ASP A 51 6.811 13.456 -0.110 1.00 0.63 C ATOM 713 C ASP A 51 6.013 12.703 -1.177 1.00 0.52 C ATOM 714 O ASP A 51 4.820 12.940 -1.368 1.00 0.54 O ATOM 715 CB ASP A 51 7.098 14.892 -0.568 1.00 0.84 C ATOM 716 CG ASP A 51 5.856 15.724 -0.812 1.00 1.30 C ATOM 717 OD1 ASP A 51 5.292 16.267 0.163 1.00 1.86 O ATOM 718 OD2 ASP A 51 5.411 15.802 -1.977 1.00 2.04 O ATOM 0 H ASP A 51 8.896 13.354 -0.144 1.00 0.59 H new ATOM 0 HA ASP A 51 6.206 13.459 0.797 1.00 0.63 H new ATOM 0 HB2 ASP A 51 7.711 15.386 0.186 1.00 0.84 H new ATOM 0 HB3 ASP A 51 7.686 14.859 -1.485 1.00 0.84 H new ATOM 723 N ASN A 52 6.681 11.768 -1.840 1.00 0.47 N ATOM 724 CA ASN A 52 6.115 11.068 -2.990 1.00 0.49 C ATOM 725 C ASN A 52 4.957 10.132 -2.624 1.00 0.43 C ATOM 726 O ASN A 52 4.198 9.737 -3.504 1.00 0.56 O ATOM 727 CB ASN A 52 7.206 10.274 -3.724 1.00 0.59 C ATOM 728 CG ASN A 52 7.874 9.230 -2.846 1.00 1.32 C ATOM 729 OD1 ASN A 52 7.377 8.117 -2.695 1.00 2.22 O ATOM 730 ND2 ASN A 52 9.027 9.567 -2.287 1.00 1.84 N ATOM 0 H ASN A 52 7.627 11.473 -1.598 1.00 0.47 H new ATOM 0 HA ASN A 52 5.707 11.840 -3.643 1.00 0.49 H new ATOM 0 HB2 ASN A 52 6.768 9.783 -4.593 1.00 0.59 H new ATOM 0 HB3 ASN A 52 7.962 10.965 -4.096 1.00 0.59 H new ATOM 0 HD21 ASN A 52 9.530 8.893 -1.710 1.00 1.84 H new ATOM 0 HD22 ASN A 52 9.411 10.500 -2.433 1.00 1.84 H new ATOM 737 N TYR A 53 4.808 9.783 -1.339 1.00 0.39 N ATOM 738 CA TYR A 53 3.753 8.845 -0.921 1.00 0.52 C ATOM 739 C TYR A 53 2.369 9.355 -1.312 1.00 0.56 C ATOM 740 O TYR A 53 1.459 8.571 -1.579 1.00 0.83 O ATOM 741 CB TYR A 53 3.787 8.594 0.589 1.00 0.66 C ATOM 742 CG TYR A 53 5.093 8.021 1.097 1.00 0.63 C ATOM 743 CD1 TYR A 53 5.673 6.913 0.492 1.00 0.67 C ATOM 744 CD2 TYR A 53 5.731 8.577 2.197 1.00 0.67 C ATOM 745 CE1 TYR A 53 6.850 6.372 0.974 1.00 0.73 C ATOM 746 CE2 TYR A 53 6.910 8.045 2.681 1.00 0.67 C ATOM 747 CZ TYR A 53 7.465 6.943 2.067 1.00 0.70 C ATOM 748 OH TYR A 53 8.632 6.409 2.560 1.00 0.79 O ATOM 0 H TYR A 53 5.394 10.129 -0.579 1.00 0.39 H new ATOM 0 HA TYR A 53 3.949 7.906 -1.440 1.00 0.52 H new ATOM 0 HB2 TYR A 53 3.591 9.533 1.106 1.00 0.66 H new ATOM 0 HB3 TYR A 53 2.978 7.911 0.850 1.00 0.66 H new ATOM 0 HD1 TYR A 53 5.197 6.467 -0.369 1.00 0.67 H new ATOM 0 HD2 TYR A 53 5.299 9.440 2.682 1.00 0.67 H new ATOM 0 HE1 TYR A 53 7.285 5.507 0.497 1.00 0.73 H new ATOM 0 HE2 TYR A 53 7.395 8.491 3.537 1.00 0.67 H new ATOM 0 HH TYR A 53 8.896 5.640 2.013 1.00 0.79 H new ATOM 758 N LYS A 54 2.211 10.665 -1.340 1.00 0.46 N ATOM 759 CA LYS A 54 0.951 11.258 -1.738 1.00 0.49 C ATOM 760 C LYS A 54 1.047 11.805 -3.160 1.00 0.52 C ATOM 761 O LYS A 54 2.143 12.028 -3.673 1.00 0.72 O ATOM 762 CB LYS A 54 0.557 12.375 -0.766 1.00 0.61 C ATOM 763 CG LYS A 54 1.633 13.424 -0.564 1.00 0.85 C ATOM 764 CD LYS A 54 1.210 14.465 0.459 1.00 1.15 C ATOM 765 CE LYS A 54 2.272 15.535 0.630 1.00 1.15 C ATOM 766 NZ LYS A 54 2.494 16.312 -0.620 1.00 1.75 N ATOM 0 H LYS A 54 2.938 11.336 -1.092 1.00 0.46 H new ATOM 0 HA LYS A 54 0.182 10.486 -1.713 1.00 0.49 H new ATOM 0 HB2 LYS A 54 -0.346 12.862 -1.135 1.00 0.61 H new ATOM 0 HB3 LYS A 54 0.309 11.933 0.199 1.00 0.61 H new ATOM 0 HG2 LYS A 54 2.554 12.943 -0.236 1.00 0.85 H new ATOM 0 HG3 LYS A 54 1.849 13.913 -1.514 1.00 0.85 H new ATOM 0 HD2 LYS A 54 0.274 14.926 0.145 1.00 1.15 H new ATOM 0 HD3 LYS A 54 1.022 13.981 1.417 1.00 1.15 H new ATOM 0 HE2 LYS A 54 1.976 16.214 1.430 1.00 1.15 H new ATOM 0 HE3 LYS A 54 3.208 15.069 0.937 1.00 1.15 H new ATOM 0 HZ1 LYS A 54 2.840 17.263 -0.381 1.00 1.75 H new ATOM 0 HZ2 LYS A 54 3.199 15.826 -1.211 1.00 1.75 H new ATOM 0 HZ3 LYS A 54 1.599 16.391 -1.143 1.00 1.75 H new ATOM 780 N ASP A 55 -0.093 12.004 -3.800 1.00 0.48 N ATOM 781 CA ASP A 55 -0.121 12.572 -5.141 1.00 0.51 C ATOM 782 C ASP A 55 -0.852 13.908 -5.110 1.00 0.60 C ATOM 783 O ASP A 55 -1.860 14.041 -4.418 1.00 0.72 O ATOM 784 CB ASP A 55 -0.814 11.623 -6.123 1.00 0.49 C ATOM 785 CG ASP A 55 -0.518 11.962 -7.564 1.00 0.90 C ATOM 786 OD1 ASP A 55 -1.211 12.844 -8.114 1.00 1.29 O ATOM 787 OD2 ASP A 55 0.412 11.363 -8.139 1.00 1.35 O ATOM 0 H ASP A 55 -1.011 11.782 -3.415 1.00 0.48 H new ATOM 0 HA ASP A 55 0.905 12.721 -5.478 1.00 0.51 H new ATOM 0 HB2 ASP A 55 -0.495 10.601 -5.921 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -1.891 11.659 -5.959 1.00 0.49 H new ATOM 792 N THR A 56 -0.356 14.888 -5.856 1.00 0.67 N ATOM 793 CA THR A 56 -0.919 16.231 -5.810 1.00 0.78 C ATOM 794 C THR A 56 -2.053 16.374 -6.821 1.00 0.75 C ATOM 795 O THR A 56 -2.917 17.240 -6.686 1.00 0.78 O ATOM 796 CB THR A 56 0.168 17.306 -6.063 1.00 0.98 C ATOM 797 OG1 THR A 56 -0.336 18.616 -5.770 1.00 1.50 O ATOM 798 CG2 THR A 56 0.666 17.259 -7.505 1.00 1.52 C ATOM 0 H THR A 56 0.430 14.779 -6.496 1.00 0.67 H new ATOM 0 HA THR A 56 -1.321 16.388 -4.809 1.00 0.78 H new ATOM 0 HB THR A 56 1.004 17.088 -5.399 1.00 0.98 H new ATOM 0 HG1 THR A 56 0.365 19.281 -5.934 1.00 1.50 H new ATOM 0 HG21 THR A 56 1.428 18.025 -7.652 1.00 1.52 H new ATOM 0 HG22 THR A 56 1.094 16.278 -7.710 1.00 1.52 H new ATOM 0 HG23 THR A 56 -0.167 17.441 -8.184 1.00 1.52 H new ATOM 806 N THR A 57 -2.056 15.515 -7.832 1.00 0.76 N ATOM 807 CA THR A 57 -3.170 15.460 -8.761 1.00 0.79 C ATOM 808 C THR A 57 -4.177 14.445 -8.239 1.00 0.74 C ATOM 809 O THR A 57 -5.275 14.284 -8.779 1.00 1.04 O ATOM 810 CB THR A 57 -2.713 15.072 -10.174 1.00 0.89 C ATOM 811 OG1 THR A 57 -1.432 15.650 -10.444 1.00 1.00 O ATOM 812 CG2 THR A 57 -3.713 15.558 -11.212 1.00 1.05 C ATOM 0 H THR A 57 -1.305 14.853 -8.026 1.00 0.76 H new ATOM 0 HA THR A 57 -3.623 16.449 -8.831 1.00 0.79 H new ATOM 0 HB THR A 57 -2.646 13.985 -10.229 1.00 0.89 H new ATOM 0 HG1 THR A 57 -1.143 15.399 -11.346 1.00 1.00 H new ATOM 0 HG21 THR A 57 -3.372 15.273 -12.207 1.00 1.05 H new ATOM 0 HG22 THR A 57 -4.686 15.106 -11.019 1.00 1.05 H new ATOM 0 HG23 THR A 57 -3.799 16.643 -11.154 1.00 1.05 H new ATOM 820 N ASN A 58 -3.752 13.765 -7.177 1.00 0.65 N ATOM 821 CA ASN A 58 -4.600 12.898 -6.369 1.00 0.70 C ATOM 822 C ASN A 58 -4.812 11.531 -7.001 1.00 0.59 C ATOM 823 O ASN A 58 -5.939 11.039 -7.089 1.00 0.66 O ATOM 824 CB ASN A 58 -5.935 13.572 -6.055 1.00 0.95 C ATOM 825 CG ASN A 58 -5.742 14.823 -5.222 1.00 1.91 C ATOM 826 OD1 ASN A 58 -5.571 14.746 -4.011 1.00 2.73 O ATOM 827 ND2 ASN A 58 -5.786 15.979 -5.863 1.00 2.46 N ATOM 0 H ASN A 58 -2.787 13.804 -6.849 1.00 0.65 H new ATOM 0 HA ASN A 58 -4.071 12.730 -5.431 1.00 0.70 H new ATOM 0 HB2 ASN A 58 -6.443 13.827 -6.985 1.00 0.95 H new ATOM 0 HB3 ASN A 58 -6.580 12.874 -5.521 1.00 0.95 H new ATOM 0 HD21 ASN A 58 -5.675 16.852 -5.348 1.00 2.46 H new ATOM 0 HD22 ASN A 58 -5.930 15.997 -6.873 1.00 2.46 H new ATOM 834 N LYS A 59 -3.719 10.910 -7.430 1.00 0.52 N ATOM 835 CA LYS A 59 -3.741 9.510 -7.798 1.00 0.51 C ATOM 836 C LYS A 59 -2.404 8.848 -7.410 1.00 0.45 C ATOM 837 O LYS A 59 -1.453 8.809 -8.178 1.00 0.48 O ATOM 838 CB LYS A 59 -4.078 9.327 -9.299 1.00 0.58 C ATOM 839 CG LYS A 59 -2.973 9.650 -10.290 1.00 0.83 C ATOM 840 CD LYS A 59 -2.742 11.138 -10.439 1.00 0.64 C ATOM 841 CE LYS A 59 -1.635 11.388 -11.436 1.00 1.53 C ATOM 842 NZ LYS A 59 -1.460 12.830 -11.737 1.00 2.11 N ATOM 0 H LYS A 59 -2.809 11.359 -7.530 1.00 0.52 H new ATOM 0 HA LYS A 59 -4.535 9.009 -7.245 1.00 0.51 H new ATOM 0 HB2 LYS A 59 -4.384 8.293 -9.456 1.00 0.58 H new ATOM 0 HB3 LYS A 59 -4.939 9.953 -9.533 1.00 0.58 H new ATOM 0 HG2 LYS A 59 -2.048 9.173 -9.965 1.00 0.83 H new ATOM 0 HG3 LYS A 59 -3.226 9.226 -11.262 1.00 0.83 H new ATOM 0 HD2 LYS A 59 -3.659 11.626 -10.770 1.00 0.64 H new ATOM 0 HD3 LYS A 59 -2.480 11.573 -9.474 1.00 0.64 H new ATOM 0 HE2 LYS A 59 -0.700 10.985 -11.046 1.00 1.53 H new ATOM 0 HE3 LYS A 59 -1.853 10.851 -12.359 1.00 1.53 H new ATOM 0 HZ1 LYS A 59 -0.840 12.939 -12.565 1.00 2.11 H new ATOM 0 HZ2 LYS A 59 -2.386 13.257 -11.940 1.00 2.11 H new ATOM 0 HZ3 LYS A 59 -1.031 13.306 -10.918 1.00 2.11 H new ATOM 856 N LYS A 60 -2.316 8.372 -6.179 1.00 0.41 N ATOM 857 CA LYS A 60 -1.106 7.697 -5.714 1.00 0.38 C ATOM 858 C LYS A 60 -1.450 6.554 -4.777 1.00 0.38 C ATOM 859 O LYS A 60 -2.140 6.744 -3.773 1.00 0.41 O ATOM 860 CB LYS A 60 -0.175 8.676 -4.989 1.00 0.41 C ATOM 861 CG LYS A 60 1.237 8.147 -4.759 1.00 0.45 C ATOM 862 CD LYS A 60 2.013 8.043 -6.060 1.00 1.22 C ATOM 863 CE LYS A 60 2.992 9.199 -6.258 1.00 2.18 C ATOM 864 NZ LYS A 60 2.328 10.531 -6.271 1.00 3.14 N ATOM 0 H LYS A 60 -3.060 8.437 -5.484 1.00 0.41 H new ATOM 0 HA LYS A 60 -0.597 7.302 -6.593 1.00 0.38 H new ATOM 0 HB2 LYS A 60 -0.115 9.598 -5.567 1.00 0.41 H new ATOM 0 HB3 LYS A 60 -0.616 8.932 -4.026 1.00 0.41 H new ATOM 0 HG2 LYS A 60 1.766 8.807 -4.071 1.00 0.45 H new ATOM 0 HG3 LYS A 60 1.186 7.167 -4.285 1.00 0.45 H new ATOM 0 HD2 LYS A 60 2.561 7.101 -6.077 1.00 1.22 H new ATOM 0 HD3 LYS A 60 1.313 8.019 -6.895 1.00 1.22 H new ATOM 0 HE2 LYS A 60 3.735 9.178 -5.461 1.00 2.18 H new ATOM 0 HE3 LYS A 60 3.527 9.057 -7.197 1.00 2.18 H new ATOM 0 HZ1 LYS A 60 3.004 11.253 -6.591 1.00 3.14 H new ATOM 0 HZ2 LYS A 60 1.515 10.507 -6.919 1.00 3.14 H new ATOM 0 HZ3 LYS A 60 2.000 10.765 -5.312 1.00 3.14 H new ATOM 878 N ILE A 61 -0.972 5.373 -5.115 1.00 0.37 N ATOM 879 CA ILE A 61 -1.099 4.211 -4.253 1.00 0.38 C ATOM 880 C ILE A 61 0.246 3.528 -4.134 1.00 0.38 C ATOM 881 O ILE A 61 0.888 3.210 -5.135 1.00 0.45 O ATOM 882 CB ILE A 61 -2.163 3.209 -4.763 1.00 0.45 C ATOM 883 CG1 ILE A 61 -1.923 2.831 -6.229 1.00 0.49 C ATOM 884 CG2 ILE A 61 -3.552 3.791 -4.589 1.00 0.47 C ATOM 885 CD1 ILE A 61 -3.015 1.960 -6.820 1.00 0.55 C ATOM 0 H ILE A 61 -0.485 5.190 -5.993 1.00 0.37 H new ATOM 0 HA ILE A 61 -1.434 4.557 -3.275 1.00 0.38 H new ATOM 0 HB ILE A 61 -2.079 2.299 -4.169 1.00 0.45 H new ATOM 0 HG12 ILE A 61 -1.837 3.742 -6.821 1.00 0.49 H new ATOM 0 HG13 ILE A 61 -0.970 2.308 -6.309 1.00 0.49 H new ATOM 0 HG21 ILE A 61 -4.293 3.078 -4.951 1.00 0.47 H new ATOM 0 HG22 ILE A 61 -3.731 3.996 -3.534 1.00 0.47 H new ATOM 0 HG23 ILE A 61 -3.632 4.718 -5.157 1.00 0.47 H new ATOM 0 HD11 ILE A 61 -2.777 1.733 -7.859 1.00 0.55 H new ATOM 0 HD12 ILE A 61 -3.087 1.032 -6.253 1.00 0.55 H new ATOM 0 HD13 ILE A 61 -3.967 2.488 -6.773 1.00 0.55 H new ATOM 897 N THR A 62 0.700 3.349 -2.916 1.00 0.39 N ATOM 898 CA THR A 62 1.959 2.682 -2.694 1.00 0.45 C ATOM 899 C THR A 62 1.720 1.201 -2.473 1.00 0.50 C ATOM 900 O THR A 62 1.171 0.799 -1.451 1.00 0.62 O ATOM 901 CB THR A 62 2.722 3.293 -1.508 1.00 0.56 C ATOM 902 OG1 THR A 62 3.012 4.670 -1.785 1.00 0.84 O ATOM 903 CG2 THR A 62 4.018 2.551 -1.255 1.00 0.84 C ATOM 0 H THR A 62 0.220 3.654 -2.069 1.00 0.39 H new ATOM 0 HA THR A 62 2.579 2.817 -3.580 1.00 0.45 H new ATOM 0 HB THR A 62 2.096 3.212 -0.619 1.00 0.56 H new ATOM 0 HG1 THR A 62 3.979 4.784 -1.898 1.00 0.84 H new ATOM 0 HG21 THR A 62 4.538 3.004 -0.411 1.00 0.84 H new ATOM 0 HG22 THR A 62 3.801 1.507 -1.030 1.00 0.84 H new ATOM 0 HG23 THR A 62 4.649 2.608 -2.142 1.00 0.84 H new ATOM 911 N ASN A 63 2.126 0.418 -3.466 1.00 0.52 N ATOM 912 CA ASN A 63 1.913 -1.024 -3.502 1.00 0.61 C ATOM 913 C ASN A 63 2.241 -1.587 -4.895 1.00 0.76 C ATOM 914 O ASN A 63 3.030 -2.522 -5.012 1.00 1.31 O ATOM 915 CB ASN A 63 0.468 -1.380 -3.147 1.00 1.03 C ATOM 916 CG ASN A 63 0.268 -2.869 -2.974 1.00 1.80 C ATOM 917 OD1 ASN A 63 -0.044 -3.582 -3.924 1.00 2.50 O ATOM 918 ND2 ASN A 63 0.436 -3.344 -1.751 1.00 2.26 N ATOM 0 H ASN A 63 2.621 0.774 -4.283 1.00 0.52 H new ATOM 0 HA ASN A 63 2.579 -1.468 -2.763 1.00 0.61 H new ATOM 0 HB2 ASN A 63 0.186 -0.869 -2.227 1.00 1.03 H new ATOM 0 HB3 ASN A 63 -0.196 -1.015 -3.930 1.00 1.03 H new ATOM 0 HD21 ASN A 63 0.306 -4.339 -1.568 1.00 2.26 H new ATOM 0 HD22 ASN A 63 0.695 -2.715 -0.991 1.00 2.26 H new ATOM 925 N PRO A 64 1.666 -1.009 -5.984 1.00 0.64 N ATOM 926 CA PRO A 64 1.762 -1.579 -7.317 1.00 0.97 C ATOM 927 C PRO A 64 2.984 -1.088 -8.091 1.00 1.15 C ATOM 928 O PRO A 64 3.667 -0.151 -7.680 1.00 1.75 O ATOM 929 CB PRO A 64 0.472 -1.093 -8.000 1.00 0.91 C ATOM 930 CG PRO A 64 -0.082 0.003 -7.134 1.00 0.85 C ATOM 931 CD PRO A 64 0.910 0.245 -6.032 1.00 0.60 C ATOM 0 HA PRO A 64 1.872 -2.663 -7.282 1.00 0.97 H new ATOM 0 HB2 PRO A 64 0.680 -0.726 -9.005 1.00 0.91 H new ATOM 0 HB3 PRO A 64 -0.245 -1.908 -8.100 1.00 0.91 H new ATOM 0 HG2 PRO A 64 -0.239 0.911 -7.716 1.00 0.85 H new ATOM 0 HG3 PRO A 64 -1.050 -0.284 -6.724 1.00 0.85 H new ATOM 0 HD2 PRO A 64 1.555 1.096 -6.250 1.00 0.60 H new ATOM 0 HD3 PRO A 64 0.416 0.454 -5.083 1.00 0.60 H new ATOM 939 N PHE A 65 3.234 -1.715 -9.226 1.00 1.16 N ATOM 940 CA PHE A 65 4.364 -1.364 -10.069 1.00 1.47 C ATOM 941 C PHE A 65 3.926 -1.334 -11.526 1.00 1.30 C ATOM 942 O PHE A 65 4.696 -1.657 -12.430 1.00 1.80 O ATOM 943 CB PHE A 65 5.506 -2.369 -9.866 1.00 2.09 C ATOM 944 CG PHE A 65 5.083 -3.815 -9.931 1.00 2.12 C ATOM 945 CD1 PHE A 65 4.664 -4.482 -8.790 1.00 2.10 C ATOM 946 CD2 PHE A 65 5.093 -4.500 -11.137 1.00 2.65 C ATOM 947 CE1 PHE A 65 4.269 -5.803 -8.850 1.00 2.47 C ATOM 948 CE2 PHE A 65 4.699 -5.824 -11.200 1.00 3.23 C ATOM 949 CZ PHE A 65 4.317 -6.485 -10.043 1.00 3.09 C ATOM 0 H PHE A 65 2.663 -2.478 -9.589 1.00 1.16 H new ATOM 0 HA PHE A 65 4.727 -0.374 -9.792 1.00 1.47 H new ATOM 0 HB2 PHE A 65 6.269 -2.192 -10.624 1.00 2.09 H new ATOM 0 HB3 PHE A 65 5.970 -2.182 -8.898 1.00 2.09 H new ATOM 0 HD1 PHE A 65 4.647 -3.962 -7.844 1.00 2.10 H new ATOM 0 HD2 PHE A 65 5.412 -3.994 -12.036 1.00 2.65 H new ATOM 0 HE1 PHE A 65 3.921 -6.302 -7.958 1.00 2.47 H new ATOM 0 HE2 PHE A 65 4.689 -6.342 -12.148 1.00 3.23 H new ATOM 0 HZ PHE A 65 4.058 -7.533 -10.078 1.00 3.09 H new ATOM 959 N GLY A 66 2.694 -0.889 -11.750 1.00 0.85 N ATOM 960 CA GLY A 66 2.096 -0.998 -13.065 1.00 0.86 C ATOM 961 C GLY A 66 2.299 0.242 -13.910 1.00 0.86 C ATOM 962 O GLY A 66 1.819 0.321 -15.039 1.00 1.21 O ATOM 0 H GLY A 66 2.100 -0.455 -11.043 1.00 0.85 H new ATOM 0 HA2 GLY A 66 2.522 -1.858 -13.582 1.00 0.86 H new ATOM 0 HA3 GLY A 66 1.028 -1.188 -12.958 1.00 0.86 H new ATOM 966 N GLY A 67 2.998 1.215 -13.353 1.00 0.70 N ATOM 967 CA GLY A 67 3.206 2.471 -14.040 1.00 0.70 C ATOM 968 C GLY A 67 4.430 3.181 -13.524 1.00 0.65 C ATOM 969 O GLY A 67 5.524 2.616 -13.529 1.00 0.67 O ATOM 0 H GLY A 67 3.429 1.157 -12.430 1.00 0.70 H new ATOM 0 HA2 GLY A 67 3.312 2.290 -15.110 1.00 0.70 H new ATOM 0 HA3 GLY A 67 2.331 3.108 -13.910 1.00 0.70 H new ATOM 973 N GLU A 68 4.252 4.405 -13.055 1.00 0.63 N ATOM 974 CA GLU A 68 5.340 5.126 -12.424 1.00 0.64 C ATOM 975 C GLU A 68 5.406 4.762 -10.950 1.00 0.58 C ATOM 976 O GLU A 68 4.645 5.278 -10.130 1.00 0.59 O ATOM 977 CB GLU A 68 5.134 6.631 -12.578 1.00 0.73 C ATOM 978 CG GLU A 68 5.245 7.115 -14.012 1.00 1.36 C ATOM 979 CD GLU A 68 6.620 6.867 -14.598 1.00 1.84 C ATOM 980 OE1 GLU A 68 7.502 7.738 -14.450 1.00 2.78 O ATOM 981 OE2 GLU A 68 6.831 5.797 -15.209 1.00 1.99 O ATOM 0 H GLU A 68 3.370 4.916 -13.100 1.00 0.63 H new ATOM 0 HA GLU A 68 6.277 4.849 -12.907 1.00 0.64 H new ATOM 0 HB2 GLU A 68 4.151 6.897 -12.189 1.00 0.73 H new ATOM 0 HB3 GLU A 68 5.871 7.155 -11.968 1.00 0.73 H new ATOM 0 HG2 GLU A 68 4.496 6.610 -14.622 1.00 1.36 H new ATOM 0 HG3 GLU A 68 5.023 8.181 -14.051 1.00 1.36 H new ATOM 988 N LEU A 69 6.318 3.866 -10.628 1.00 0.57 N ATOM 989 CA LEU A 69 6.470 3.374 -9.269 1.00 0.57 C ATOM 990 C LEU A 69 7.758 3.889 -8.637 1.00 0.55 C ATOM 991 O LEU A 69 8.770 4.062 -9.319 1.00 0.60 O ATOM 992 CB LEU A 69 6.465 1.840 -9.246 1.00 0.69 C ATOM 993 CG LEU A 69 7.655 1.168 -9.947 1.00 0.83 C ATOM 994 CD1 LEU A 69 8.118 -0.048 -9.162 1.00 1.15 C ATOM 995 CD2 LEU A 69 7.288 0.758 -11.366 1.00 1.17 C ATOM 0 H LEU A 69 6.973 3.459 -11.296 1.00 0.57 H new ATOM 0 HA LEU A 69 5.625 3.745 -8.689 1.00 0.57 H new ATOM 0 HB2 LEU A 69 6.442 1.509 -8.208 1.00 0.69 H new ATOM 0 HB3 LEU A 69 5.545 1.489 -9.713 1.00 0.69 H new ATOM 0 HG LEU A 69 8.469 1.891 -9.993 1.00 0.83 H new ATOM 0 HD11 LEU A 69 8.962 -0.512 -9.673 1.00 1.15 H new ATOM 0 HD12 LEU A 69 8.424 0.259 -8.162 1.00 1.15 H new ATOM 0 HD13 LEU A 69 7.301 -0.765 -9.087 1.00 1.15 H new ATOM 0 HD21 LEU A 69 8.147 0.284 -11.842 1.00 1.17 H new ATOM 0 HD22 LEU A 69 6.456 0.055 -11.338 1.00 1.17 H new ATOM 0 HD23 LEU A 69 6.998 1.641 -11.936 1.00 1.17 H new ATOM 1007 N ASN A 70 7.697 4.166 -7.345 1.00 0.52 N ATOM 1008 CA ASN A 70 8.885 4.496 -6.571 1.00 0.53 C ATOM 1009 C ASN A 70 9.261 3.295 -5.721 1.00 0.49 C ATOM 1010 O ASN A 70 8.446 2.806 -4.940 1.00 0.51 O ATOM 1011 CB ASN A 70 8.630 5.708 -5.664 1.00 0.59 C ATOM 1012 CG ASN A 70 9.867 6.112 -4.878 1.00 0.65 C ATOM 1013 OD1 ASN A 70 10.992 5.978 -5.361 1.00 0.92 O ATOM 1014 ND2 ASN A 70 9.677 6.616 -3.667 1.00 0.73 N ATOM 0 H ASN A 70 6.831 4.169 -6.806 1.00 0.52 H new ATOM 0 HA ASN A 70 9.696 4.748 -7.254 1.00 0.53 H new ATOM 0 HB2 ASN A 70 8.297 6.550 -6.271 1.00 0.59 H new ATOM 0 HB3 ASN A 70 7.822 5.476 -4.971 1.00 0.59 H new ATOM 0 HD21 ASN A 70 10.477 6.907 -3.104 1.00 0.73 H new ATOM 0 HD22 ASN A 70 8.731 6.713 -3.298 1.00 0.73 H new ATOM 1021 N VAL A 71 10.481 2.813 -5.885 1.00 0.51 N ATOM 1022 CA VAL A 71 10.926 1.619 -5.179 1.00 0.52 C ATOM 1023 C VAL A 71 11.381 1.957 -3.765 1.00 0.49 C ATOM 1024 O VAL A 71 11.994 2.996 -3.537 1.00 0.58 O ATOM 1025 CB VAL A 71 12.070 0.905 -5.932 1.00 0.68 C ATOM 1026 CG1 VAL A 71 11.589 0.408 -7.287 1.00 0.97 C ATOM 1027 CG2 VAL A 71 13.273 1.824 -6.095 1.00 1.02 C ATOM 0 H VAL A 71 11.182 3.228 -6.499 1.00 0.51 H new ATOM 0 HA VAL A 71 10.071 0.944 -5.128 1.00 0.52 H new ATOM 0 HB VAL A 71 12.380 0.045 -5.338 1.00 0.68 H new ATOM 0 HG11 VAL A 71 12.409 -0.092 -7.803 1.00 0.97 H new ATOM 0 HG12 VAL A 71 10.767 -0.294 -7.146 1.00 0.97 H new ATOM 0 HG13 VAL A 71 11.247 1.253 -7.884 1.00 0.97 H new ATOM 0 HG21 VAL A 71 14.064 1.297 -6.628 1.00 1.02 H new ATOM 0 HG22 VAL A 71 12.981 2.709 -6.661 1.00 1.02 H new ATOM 0 HG23 VAL A 71 13.636 2.125 -5.113 1.00 1.02 H new ATOM 1037 N GLY A 72 11.054 1.089 -2.817 1.00 0.44 N ATOM 1038 CA GLY A 72 11.496 1.285 -1.453 1.00 0.46 C ATOM 1039 C GLY A 72 11.052 0.163 -0.534 1.00 0.44 C ATOM 1040 O GLY A 72 9.861 -0.037 -0.332 1.00 0.48 O ATOM 0 H GLY A 72 10.490 0.253 -2.970 1.00 0.44 H new ATOM 0 HA2 GLY A 72 12.583 1.358 -1.433 1.00 0.46 H new ATOM 0 HA3 GLY A 72 11.106 2.232 -1.080 1.00 0.46 H new ATOM 1044 N PRO A 73 11.987 -0.620 0.009 1.00 0.53 N ATOM 1045 CA PRO A 73 11.683 -1.649 1.000 1.00 0.54 C ATOM 1046 C PRO A 73 11.387 -1.048 2.371 1.00 0.49 C ATOM 1047 O PRO A 73 11.519 0.158 2.576 1.00 0.59 O ATOM 1048 CB PRO A 73 12.965 -2.498 1.059 1.00 0.72 C ATOM 1049 CG PRO A 73 13.812 -2.017 -0.072 1.00 1.00 C ATOM 1050 CD PRO A 73 13.409 -0.594 -0.308 1.00 0.76 C ATOM 0 HA PRO A 73 10.796 -2.221 0.729 1.00 0.54 H new ATOM 0 HB2 PRO A 73 13.476 -2.372 2.014 1.00 0.72 H new ATOM 0 HB3 PRO A 73 12.738 -3.559 0.956 1.00 0.72 H new ATOM 0 HG2 PRO A 73 14.871 -2.087 0.175 1.00 1.00 H new ATOM 0 HG3 PRO A 73 13.652 -2.622 -0.965 1.00 1.00 H new ATOM 0 HD2 PRO A 73 13.957 0.096 0.334 1.00 0.76 H new ATOM 0 HD3 PRO A 73 13.591 -0.285 -1.337 1.00 0.76 H new ATOM 1058 N ALA A 74 10.985 -1.891 3.306 1.00 0.51 N ATOM 1059 CA ALA A 74 10.724 -1.446 4.663 1.00 0.61 C ATOM 1060 C ALA A 74 11.922 -1.751 5.549 1.00 0.84 C ATOM 1061 O ALA A 74 12.857 -2.417 5.105 1.00 1.58 O ATOM 1062 CB ALA A 74 9.473 -2.113 5.206 1.00 0.86 C ATOM 0 H ALA A 74 10.832 -2.887 3.150 1.00 0.51 H new ATOM 0 HA ALA A 74 10.561 -0.368 4.657 1.00 0.61 H new ATOM 0 HB1 ALA A 74 9.290 -1.769 6.224 1.00 0.86 H new ATOM 0 HB2 ALA A 74 8.621 -1.855 4.577 1.00 0.86 H new ATOM 0 HB3 ALA A 74 9.608 -3.195 5.207 1.00 0.86 H new ATOM 1068 N ASN A 75 11.871 -1.269 6.794 1.00 0.62 N ATOM 1069 CA ASN A 75 12.966 -1.435 7.765 1.00 0.74 C ATOM 1070 C ASN A 75 13.591 -2.828 7.702 1.00 0.76 C ATOM 1071 O ASN A 75 14.765 -2.970 7.376 1.00 0.85 O ATOM 1072 CB ASN A 75 12.455 -1.170 9.186 1.00 0.99 C ATOM 1073 CG ASN A 75 13.511 -1.413 10.254 1.00 1.38 C ATOM 1074 OD1 ASN A 75 14.700 -1.185 10.041 1.00 2.09 O ATOM 1075 ND2 ASN A 75 13.078 -1.878 11.417 1.00 1.58 N ATOM 0 H ASN A 75 11.072 -0.752 7.161 1.00 0.62 H new ATOM 0 HA ASN A 75 13.738 -0.711 7.503 1.00 0.74 H new ATOM 0 HB2 ASN A 75 12.108 -0.139 9.255 1.00 0.99 H new ATOM 0 HB3 ASN A 75 11.595 -1.810 9.382 1.00 0.99 H new ATOM 0 HD21 ASN A 75 13.739 -2.059 12.172 1.00 1.58 H new ATOM 0 HD22 ASN A 75 12.083 -2.055 11.557 1.00 1.58 H new ATOM 1082 N ASN A 76 12.799 -3.846 8.016 1.00 0.75 N ATOM 1083 CA ASN A 76 13.267 -5.228 7.989 1.00 0.82 C ATOM 1084 C ASN A 76 12.194 -6.131 7.410 1.00 0.77 C ATOM 1085 O ASN A 76 11.002 -5.821 7.500 1.00 0.81 O ATOM 1086 CB ASN A 76 13.620 -5.718 9.398 1.00 1.02 C ATOM 1087 CG ASN A 76 14.944 -5.189 9.916 1.00 1.32 C ATOM 1088 OD1 ASN A 76 15.094 -4.936 11.114 1.00 2.08 O ATOM 1089 ND2 ASN A 76 15.921 -5.047 9.035 1.00 1.38 N ATOM 0 H ASN A 76 11.823 -3.740 8.294 1.00 0.75 H new ATOM 0 HA ASN A 76 14.161 -5.264 7.366 1.00 0.82 H new ATOM 0 HB2 ASN A 76 12.827 -5.422 10.085 1.00 1.02 H new ATOM 0 HB3 ASN A 76 13.650 -6.808 9.397 1.00 1.02 H new ATOM 0 HD21 ASN A 76 16.838 -4.718 9.338 1.00 1.38 H new ATOM 0 HD22 ASN A 76 15.758 -5.267 8.052 1.00 1.38 H new ATOM 1096 N ASN A 77 12.613 -7.254 6.834 1.00 0.80 N ATOM 1097 CA ASN A 77 11.674 -8.241 6.303 1.00 0.86 C ATOM 1098 C ASN A 77 10.929 -8.923 7.450 1.00 0.95 C ATOM 1099 O ASN A 77 9.851 -9.489 7.270 1.00 1.05 O ATOM 1100 CB ASN A 77 12.406 -9.282 5.452 1.00 0.95 C ATOM 1101 CG ASN A 77 11.462 -10.223 4.712 1.00 1.40 C ATOM 1102 OD1 ASN A 77 11.785 -11.392 4.489 1.00 2.28 O ATOM 1103 ND2 ASN A 77 10.300 -9.726 4.313 1.00 1.72 N ATOM 0 H ASN A 77 13.595 -7.504 6.722 1.00 0.80 H new ATOM 0 HA ASN A 77 10.953 -7.727 5.667 1.00 0.86 H new ATOM 0 HB2 ASN A 77 13.039 -8.770 4.728 1.00 0.95 H new ATOM 0 HB3 ASN A 77 13.064 -9.868 6.093 1.00 0.95 H new ATOM 0 HD21 ASN A 77 9.641 -10.315 3.804 1.00 1.72 H new ATOM 0 HD22 ASN A 77 10.065 -8.754 4.514 1.00 1.72 H new ATOM 1110 N THR A 78 11.522 -8.854 8.636 1.00 1.02 N ATOM 1111 CA THR A 78 10.910 -9.368 9.847 1.00 1.22 C ATOM 1112 C THR A 78 9.610 -8.626 10.160 1.00 1.16 C ATOM 1113 O THR A 78 8.655 -9.206 10.680 1.00 1.41 O ATOM 1114 CB THR A 78 11.884 -9.205 11.023 1.00 1.44 C ATOM 1115 OG1 THR A 78 13.220 -9.478 10.575 1.00 1.95 O ATOM 1116 CG2 THR A 78 11.523 -10.144 12.162 1.00 1.88 C ATOM 0 H THR A 78 12.442 -8.439 8.781 1.00 1.02 H new ATOM 0 HA THR A 78 10.680 -10.423 9.695 1.00 1.22 H new ATOM 0 HB THR A 78 11.818 -8.181 11.391 1.00 1.44 H new ATOM 0 HG1 THR A 78 13.844 -9.373 11.323 1.00 1.95 H new ATOM 0 HG21 THR A 78 12.228 -10.009 12.982 1.00 1.88 H new ATOM 0 HG22 THR A 78 10.514 -9.923 12.510 1.00 1.88 H new ATOM 0 HG23 THR A 78 11.568 -11.175 11.811 1.00 1.88 H new ATOM 1124 N ALA A 79 9.581 -7.342 9.824 1.00 0.91 N ATOM 1125 CA ALA A 79 8.423 -6.503 10.104 1.00 0.86 C ATOM 1126 C ALA A 79 7.538 -6.367 8.872 1.00 0.73 C ATOM 1127 O ALA A 79 6.343 -6.635 8.927 1.00 0.77 O ATOM 1128 CB ALA A 79 8.874 -5.133 10.592 1.00 0.88 C ATOM 0 H ALA A 79 10.348 -6.859 9.356 1.00 0.91 H new ATOM 0 HA ALA A 79 7.835 -6.979 10.889 1.00 0.86 H new ATOM 0 HB1 ALA A 79 8.000 -4.514 10.798 1.00 0.88 H new ATOM 0 HB2 ALA A 79 9.461 -5.247 11.503 1.00 0.88 H new ATOM 0 HB3 ALA A 79 9.483 -4.656 9.825 1.00 0.88 H new ATOM 1134 N PHE A 80 8.135 -5.953 7.761 1.00 0.65 N ATOM 1135 CA PHE A 80 7.404 -5.758 6.516 1.00 0.60 C ATOM 1136 C PHE A 80 8.220 -6.311 5.352 1.00 0.72 C ATOM 1137 O PHE A 80 8.979 -7.264 5.520 1.00 1.37 O ATOM 1138 CB PHE A 80 7.105 -4.269 6.289 1.00 0.58 C ATOM 1139 CG PHE A 80 6.320 -3.620 7.393 1.00 0.58 C ATOM 1140 CD1 PHE A 80 4.950 -3.798 7.482 1.00 0.56 C ATOM 1141 CD2 PHE A 80 6.955 -2.840 8.343 1.00 0.72 C ATOM 1142 CE1 PHE A 80 4.226 -3.204 8.497 1.00 0.65 C ATOM 1143 CE2 PHE A 80 6.238 -2.243 9.361 1.00 0.82 C ATOM 1144 CZ PHE A 80 4.870 -2.414 9.430 1.00 0.77 C ATOM 0 H PHE A 80 9.131 -5.745 7.698 1.00 0.65 H new ATOM 0 HA PHE A 80 6.455 -6.291 6.580 1.00 0.60 H new ATOM 0 HB2 PHE A 80 8.048 -3.736 6.168 1.00 0.58 H new ATOM 0 HB3 PHE A 80 6.554 -4.159 5.355 1.00 0.58 H new ATOM 0 HD1 PHE A 80 4.442 -4.408 6.750 1.00 0.56 H new ATOM 0 HD2 PHE A 80 8.024 -2.696 8.288 1.00 0.72 H new ATOM 0 HE1 PHE A 80 3.159 -3.357 8.561 1.00 0.65 H new ATOM 0 HE2 PHE A 80 6.746 -1.644 10.102 1.00 0.82 H new ATOM 0 HZ PHE A 80 4.304 -1.931 10.212 1.00 0.77 H new ATOM 1154 N GLY A 81 8.066 -5.722 4.179 1.00 0.52 N ATOM 1155 CA GLY A 81 8.829 -6.165 3.032 1.00 0.57 C ATOM 1156 C GLY A 81 9.219 -5.016 2.135 1.00 0.50 C ATOM 1157 O GLY A 81 10.299 -4.447 2.278 1.00 0.54 O ATOM 0 H GLY A 81 7.428 -4.947 3.999 1.00 0.52 H new ATOM 0 HA2 GLY A 81 9.727 -6.681 3.371 1.00 0.57 H new ATOM 0 HA3 GLY A 81 8.243 -6.886 2.463 1.00 0.57 H new ATOM 1161 N TYR A 82 8.329 -4.653 1.224 1.00 0.45 N ATOM 1162 CA TYR A 82 8.610 -3.593 0.273 1.00 0.44 C ATOM 1163 C TYR A 82 7.375 -2.747 0.035 1.00 0.41 C ATOM 1164 O TYR A 82 6.251 -3.199 0.257 1.00 0.46 O ATOM 1165 CB TYR A 82 9.094 -4.177 -1.062 1.00 0.54 C ATOM 1166 CG TYR A 82 8.048 -5.000 -1.790 1.00 0.84 C ATOM 1167 CD1 TYR A 82 7.824 -6.332 -1.455 1.00 1.33 C ATOM 1168 CD2 TYR A 82 7.290 -4.445 -2.810 1.00 1.01 C ATOM 1169 CE1 TYR A 82 6.875 -7.085 -2.120 1.00 1.92 C ATOM 1170 CE2 TYR A 82 6.338 -5.192 -3.477 1.00 1.53 C ATOM 1171 CZ TYR A 82 6.127 -6.509 -3.120 1.00 1.98 C ATOM 1172 OH TYR A 82 5.189 -7.253 -3.796 1.00 2.58 O ATOM 0 H TYR A 82 7.407 -5.078 1.125 1.00 0.45 H new ATOM 0 HA TYR A 82 9.396 -2.966 0.694 1.00 0.44 H new ATOM 0 HB2 TYR A 82 9.414 -3.361 -1.709 1.00 0.54 H new ATOM 0 HB3 TYR A 82 9.969 -4.800 -0.878 1.00 0.54 H new ATOM 0 HD1 TYR A 82 8.401 -6.785 -0.662 1.00 1.33 H new ATOM 0 HD2 TYR A 82 7.446 -3.413 -3.087 1.00 1.01 H new ATOM 0 HE1 TYR A 82 6.722 -8.121 -1.856 1.00 1.92 H new ATOM 0 HE2 TYR A 82 5.761 -4.747 -4.275 1.00 1.53 H new ATOM 0 HH TYR A 82 4.750 -6.692 -4.469 1.00 2.58 H new ATOM 1182 N TYR A 83 7.592 -1.522 -0.400 1.00 0.36 N ATOM 1183 CA TYR A 83 6.513 -0.664 -0.833 1.00 0.38 C ATOM 1184 C TYR A 83 6.890 -0.015 -2.157 1.00 0.38 C ATOM 1185 O TYR A 83 8.064 0.247 -2.416 1.00 0.43 O ATOM 1186 CB TYR A 83 6.165 0.392 0.232 1.00 0.39 C ATOM 1187 CG TYR A 83 7.243 1.421 0.527 1.00 0.39 C ATOM 1188 CD1 TYR A 83 7.487 2.472 -0.348 1.00 0.41 C ATOM 1189 CD2 TYR A 83 8.037 1.322 1.664 1.00 0.50 C ATOM 1190 CE1 TYR A 83 8.482 3.398 -0.095 1.00 0.49 C ATOM 1191 CE2 TYR A 83 9.037 2.239 1.922 1.00 0.58 C ATOM 1192 CZ TYR A 83 9.181 3.340 1.096 1.00 0.56 C ATOM 1193 OH TYR A 83 10.259 4.189 1.289 1.00 0.68 O ATOM 0 H TYR A 83 8.517 -1.097 -0.462 1.00 0.36 H new ATOM 0 HA TYR A 83 5.617 -1.269 -0.975 1.00 0.38 H new ATOM 0 HB2 TYR A 83 5.266 0.919 -0.087 1.00 0.39 H new ATOM 0 HB3 TYR A 83 5.920 -0.124 1.160 1.00 0.39 H new ATOM 0 HD1 TYR A 83 6.889 2.567 -1.242 1.00 0.41 H new ATOM 0 HD2 TYR A 83 7.869 0.512 2.359 1.00 0.50 H new ATOM 0 HE1 TYR A 83 8.712 4.162 -0.823 1.00 0.49 H new ATOM 0 HE2 TYR A 83 9.701 2.098 2.762 1.00 0.58 H new ATOM 0 HH TYR A 83 10.627 4.052 2.187 1.00 0.68 H new ATOM 1203 N LEU A 84 5.909 0.203 -3.010 1.00 0.40 N ATOM 1204 CA LEU A 84 6.154 0.816 -4.303 1.00 0.42 C ATOM 1205 C LEU A 84 5.175 1.954 -4.531 1.00 0.43 C ATOM 1206 O LEU A 84 3.999 1.719 -4.794 1.00 0.50 O ATOM 1207 CB LEU A 84 6.017 -0.226 -5.416 1.00 0.51 C ATOM 1208 CG LEU A 84 6.965 -1.421 -5.315 1.00 0.66 C ATOM 1209 CD1 LEU A 84 6.637 -2.454 -6.380 1.00 1.42 C ATOM 1210 CD2 LEU A 84 8.410 -0.967 -5.446 1.00 1.21 C ATOM 0 H LEU A 84 4.933 -0.035 -2.832 1.00 0.40 H new ATOM 0 HA LEU A 84 7.169 1.213 -4.318 1.00 0.42 H new ATOM 0 HB2 LEU A 84 4.992 -0.596 -5.420 1.00 0.51 H new ATOM 0 HB3 LEU A 84 6.181 0.267 -6.374 1.00 0.51 H new ATOM 0 HG LEU A 84 6.834 -1.881 -4.336 1.00 0.66 H new ATOM 0 HD11 LEU A 84 7.322 -3.297 -6.292 1.00 1.42 H new ATOM 0 HD12 LEU A 84 5.613 -2.803 -6.245 1.00 1.42 H new ATOM 0 HD13 LEU A 84 6.740 -2.004 -7.367 1.00 1.42 H new ATOM 0 HD21 LEU A 84 9.071 -1.831 -5.372 1.00 1.21 H new ATOM 0 HD22 LEU A 84 8.553 -0.483 -6.412 1.00 1.21 H new ATOM 0 HD23 LEU A 84 8.644 -0.262 -4.648 1.00 1.21 H new ATOM 1222 N THR A 85 5.651 3.183 -4.459 1.00 0.43 N ATOM 1223 CA THR A 85 4.770 4.323 -4.555 1.00 0.47 C ATOM 1224 C THR A 85 4.479 4.625 -6.016 1.00 0.45 C ATOM 1225 O THR A 85 5.268 5.257 -6.717 1.00 0.50 O ATOM 1226 CB THR A 85 5.383 5.554 -3.865 1.00 0.58 C ATOM 1227 OG1 THR A 85 5.761 5.214 -2.525 1.00 0.75 O ATOM 1228 CG2 THR A 85 4.398 6.703 -3.832 1.00 0.98 C ATOM 0 H THR A 85 6.637 3.413 -4.335 1.00 0.43 H new ATOM 0 HA THR A 85 3.837 4.084 -4.045 1.00 0.47 H new ATOM 0 HB THR A 85 6.260 5.865 -4.433 1.00 0.58 H new ATOM 0 HG1 THR A 85 6.153 5.998 -2.087 1.00 0.75 H new ATOM 0 HG21 THR A 85 4.856 7.561 -3.339 1.00 0.98 H new ATOM 0 HG22 THR A 85 4.122 6.975 -4.851 1.00 0.98 H new ATOM 0 HG23 THR A 85 3.506 6.402 -3.282 1.00 0.98 H new ATOM 1236 N LEU A 86 3.336 4.142 -6.457 1.00 0.43 N ATOM 1237 CA LEU A 86 2.938 4.217 -7.844 1.00 0.43 C ATOM 1238 C LEU A 86 1.827 5.237 -7.995 1.00 0.45 C ATOM 1239 O LEU A 86 0.801 5.159 -7.314 1.00 0.50 O ATOM 1240 CB LEU A 86 2.522 2.796 -8.294 1.00 0.46 C ATOM 1241 CG LEU A 86 1.688 2.623 -9.582 1.00 0.63 C ATOM 1242 CD1 LEU A 86 0.216 2.906 -9.329 1.00 1.23 C ATOM 1243 CD2 LEU A 86 2.212 3.491 -10.710 1.00 1.35 C ATOM 0 H LEU A 86 2.652 3.682 -5.856 1.00 0.43 H new ATOM 0 HA LEU A 86 3.754 4.551 -8.484 1.00 0.43 H new ATOM 0 HB2 LEU A 86 3.434 2.211 -8.413 1.00 0.46 H new ATOM 0 HB3 LEU A 86 1.959 2.346 -7.477 1.00 0.46 H new ATOM 0 HG LEU A 86 1.787 1.582 -9.889 1.00 0.63 H new ATOM 0 HD11 LEU A 86 -0.344 2.776 -10.255 1.00 1.23 H new ATOM 0 HD12 LEU A 86 -0.163 2.216 -8.575 1.00 1.23 H new ATOM 0 HD13 LEU A 86 0.098 3.930 -8.975 1.00 1.23 H new ATOM 0 HD21 LEU A 86 1.599 3.341 -11.599 1.00 1.35 H new ATOM 0 HD22 LEU A 86 2.170 4.539 -10.412 1.00 1.35 H new ATOM 0 HD23 LEU A 86 3.244 3.217 -10.930 1.00 1.35 H new ATOM 1255 N THR A 87 2.038 6.222 -8.848 1.00 0.48 N ATOM 1256 CA THR A 87 0.980 7.156 -9.138 1.00 0.55 C ATOM 1257 C THR A 87 0.061 6.551 -10.182 1.00 0.55 C ATOM 1258 O THR A 87 0.494 6.222 -11.289 1.00 0.56 O ATOM 1259 CB THR A 87 1.534 8.525 -9.613 1.00 0.61 C ATOM 1260 OG1 THR A 87 0.476 9.374 -10.070 1.00 1.21 O ATOM 1261 CG2 THR A 87 2.570 8.364 -10.715 1.00 1.26 C ATOM 0 H THR A 87 2.915 6.390 -9.341 1.00 0.48 H new ATOM 0 HA THR A 87 0.420 7.346 -8.223 1.00 0.55 H new ATOM 0 HB THR A 87 2.018 8.986 -8.752 1.00 0.61 H new ATOM 0 HG1 THR A 87 0.376 10.131 -9.456 1.00 1.21 H new ATOM 0 HG21 THR A 87 2.933 9.346 -11.019 1.00 1.26 H new ATOM 0 HG22 THR A 87 3.404 7.767 -10.346 1.00 1.26 H new ATOM 0 HG23 THR A 87 2.116 7.863 -11.570 1.00 1.26 H new ATOM 1269 N ARG A 88 -1.209 6.443 -9.813 1.00 0.60 N ATOM 1270 CA ARG A 88 -2.254 5.870 -10.652 1.00 0.67 C ATOM 1271 C ARG A 88 -3.386 5.367 -9.769 1.00 0.71 C ATOM 1272 O ARG A 88 -3.418 4.197 -9.392 1.00 1.02 O ATOM 1273 CB ARG A 88 -1.764 4.683 -11.501 1.00 0.71 C ATOM 1274 CG ARG A 88 -2.666 4.377 -12.685 1.00 0.93 C ATOM 1275 CD ARG A 88 -2.269 3.078 -13.362 1.00 1.05 C ATOM 1276 NE ARG A 88 -2.367 1.939 -12.452 1.00 0.86 N ATOM 1277 CZ ARG A 88 -1.324 1.212 -12.060 1.00 0.99 C ATOM 1278 NH1 ARG A 88 -0.101 1.522 -12.489 1.00 1.06 N ATOM 1279 NH2 ARG A 88 -1.501 0.197 -11.220 1.00 1.34 N ATOM 0 H ARG A 88 -1.548 6.758 -8.904 1.00 0.60 H new ATOM 0 HA ARG A 88 -2.579 6.661 -11.327 1.00 0.67 H new ATOM 0 HB2 ARG A 88 -0.759 4.896 -11.865 1.00 0.71 H new ATOM 0 HB3 ARG A 88 -1.693 3.798 -10.869 1.00 0.71 H new ATOM 0 HG2 ARG A 88 -3.701 4.312 -12.349 1.00 0.93 H new ATOM 0 HG3 ARG A 88 -2.615 5.194 -13.404 1.00 0.93 H new ATOM 0 HD2 ARG A 88 -2.910 2.908 -14.227 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -1.248 3.159 -13.734 1.00 1.05 H new ATOM 0 HE ARG A 88 -3.289 1.686 -12.096 1.00 0.86 H new ATOM 0 HH11 ARG A 88 0.034 2.315 -13.116 1.00 1.06 H new ATOM 0 HH12 ARG A 88 0.700 0.966 -12.190 1.00 1.06 H new ATOM 0 HH21 ARG A 88 -2.436 -0.024 -10.877 1.00 1.34 H new ATOM 0 HH22 ARG A 88 -0.702 -0.361 -10.919 1.00 1.34 H new ATOM 1293 N LEU A 89 -4.284 6.254 -9.398 1.00 0.56 N ATOM 1294 CA LEU A 89 -5.445 5.857 -8.625 1.00 0.55 C ATOM 1295 C LEU A 89 -6.713 6.389 -9.271 1.00 0.55 C ATOM 1296 O LEU A 89 -6.698 7.414 -9.950 1.00 0.77 O ATOM 1297 CB LEU A 89 -5.351 6.344 -7.175 1.00 0.62 C ATOM 1298 CG LEU A 89 -6.501 5.886 -6.269 1.00 0.82 C ATOM 1299 CD1 LEU A 89 -6.543 4.367 -6.169 1.00 1.71 C ATOM 1300 CD2 LEU A 89 -6.375 6.498 -4.887 1.00 1.06 C ATOM 0 H LEU A 89 -4.235 7.249 -9.616 1.00 0.56 H new ATOM 0 HA LEU A 89 -5.477 4.768 -8.611 1.00 0.55 H new ATOM 0 HB2 LEU A 89 -4.410 5.995 -6.749 1.00 0.62 H new ATOM 0 HB3 LEU A 89 -5.317 7.433 -7.173 1.00 0.62 H new ATOM 0 HG LEU A 89 -7.434 6.228 -6.717 1.00 0.82 H new ATOM 0 HD11 LEU A 89 -7.367 4.068 -5.521 1.00 1.71 H new ATOM 0 HD12 LEU A 89 -6.689 3.941 -7.162 1.00 1.71 H new ATOM 0 HD13 LEU A 89 -5.604 4.004 -5.752 1.00 1.71 H new ATOM 0 HD21 LEU A 89 -7.201 6.159 -4.262 1.00 1.06 H new ATOM 0 HD22 LEU A 89 -5.431 6.191 -4.438 1.00 1.06 H new ATOM 0 HD23 LEU A 89 -6.402 7.585 -4.966 1.00 1.06 H new ATOM 1312 N ASP A 90 -7.798 5.676 -9.050 1.00 0.47 N ATOM 1313 CA ASP A 90 -9.094 6.029 -9.599 1.00 0.52 C ATOM 1314 C ASP A 90 -10.153 5.840 -8.524 1.00 0.53 C ATOM 1315 O ASP A 90 -9.983 5.013 -7.629 1.00 0.51 O ATOM 1316 CB ASP A 90 -9.391 5.160 -10.823 1.00 0.68 C ATOM 1317 CG ASP A 90 -10.837 5.230 -11.257 1.00 1.40 C ATOM 1318 OD1 ASP A 90 -11.264 6.282 -11.765 1.00 1.74 O ATOM 1319 OD2 ASP A 90 -11.556 4.226 -11.080 1.00 2.21 O ATOM 0 H ASP A 90 -7.807 4.830 -8.481 1.00 0.47 H new ATOM 0 HA ASP A 90 -9.097 7.072 -9.917 1.00 0.52 H new ATOM 0 HB2 ASP A 90 -8.753 5.475 -11.649 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -9.134 4.125 -10.598 1.00 0.68 H new ATOM 1324 N LYS A 91 -11.230 6.606 -8.600 1.00 0.63 N ATOM 1325 CA LYS A 91 -12.257 6.579 -7.566 1.00 0.75 C ATOM 1326 C LYS A 91 -12.949 5.218 -7.513 1.00 0.79 C ATOM 1327 O LYS A 91 -13.276 4.723 -6.434 1.00 0.85 O ATOM 1328 CB LYS A 91 -13.268 7.708 -7.795 1.00 0.89 C ATOM 1329 CG LYS A 91 -14.216 7.942 -6.626 1.00 1.15 C ATOM 1330 CD LYS A 91 -13.473 8.056 -5.297 1.00 1.38 C ATOM 1331 CE LYS A 91 -12.384 9.123 -5.320 1.00 1.71 C ATOM 1332 NZ LYS A 91 -12.913 10.472 -5.642 1.00 2.24 N ATOM 0 H LYS A 91 -11.417 7.254 -9.365 1.00 0.63 H new ATOM 0 HA LYS A 91 -11.779 6.738 -6.600 1.00 0.75 H new ATOM 0 HB2 LYS A 91 -12.725 8.631 -7.999 1.00 0.89 H new ATOM 0 HB3 LYS A 91 -13.855 7.480 -8.685 1.00 0.89 H new ATOM 0 HG2 LYS A 91 -14.788 8.854 -6.800 1.00 1.15 H new ATOM 0 HG3 LYS A 91 -14.932 7.122 -6.571 1.00 1.15 H new ATOM 0 HD2 LYS A 91 -14.186 8.288 -4.506 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -13.026 7.092 -5.052 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -11.889 9.153 -4.349 1.00 1.71 H new ATOM 0 HE3 LYS A 91 -11.627 8.849 -6.055 1.00 1.71 H new ATOM 0 HZ1 LYS A 91 -12.149 11.173 -5.562 1.00 2.24 H new ATOM 0 HZ2 LYS A 91 -13.286 10.476 -6.613 1.00 2.24 H new ATOM 0 HZ3 LYS A 91 -13.675 10.714 -4.977 1.00 2.24 H new ATOM 1346 N ALA A 92 -13.135 4.595 -8.670 1.00 0.81 N ATOM 1347 CA ALA A 92 -13.730 3.267 -8.725 1.00 0.94 C ATOM 1348 C ALA A 92 -12.710 2.212 -8.303 1.00 0.81 C ATOM 1349 O ALA A 92 -13.068 1.156 -7.774 1.00 0.81 O ATOM 1350 CB ALA A 92 -14.267 2.972 -10.122 1.00 1.13 C ATOM 0 H ALA A 92 -12.884 4.986 -9.578 1.00 0.81 H new ATOM 0 HA ALA A 92 -14.568 3.235 -8.029 1.00 0.94 H new ATOM 0 HB1 ALA A 92 -14.707 1.975 -10.140 1.00 1.13 H new ATOM 0 HB2 ALA A 92 -15.027 3.709 -10.383 1.00 1.13 H new ATOM 0 HB3 ALA A 92 -13.451 3.022 -10.843 1.00 1.13 H new ATOM 1356 N ALA A 93 -11.431 2.515 -8.523 1.00 0.73 N ATOM 1357 CA ALA A 93 -10.352 1.625 -8.115 1.00 0.67 C ATOM 1358 C ALA A 93 -10.184 1.657 -6.600 1.00 0.57 C ATOM 1359 O ALA A 93 -9.816 0.657 -5.986 1.00 0.57 O ATOM 1360 CB ALA A 93 -9.051 2.003 -8.806 1.00 0.69 C ATOM 0 H ALA A 93 -11.120 3.371 -8.982 1.00 0.73 H new ATOM 0 HA ALA A 93 -10.612 0.609 -8.414 1.00 0.67 H new ATOM 0 HB1 ALA A 93 -8.259 1.325 -8.487 1.00 0.69 H new ATOM 0 HB2 ALA A 93 -9.178 1.929 -9.886 1.00 0.69 H new ATOM 0 HB3 ALA A 93 -8.782 3.026 -8.541 1.00 0.69 H new ATOM 1366 N CYS A 94 -10.463 2.817 -6.014 1.00 0.55 N ATOM 1367 CA CYS A 94 -10.461 2.981 -4.561 1.00 0.58 C ATOM 1368 C CYS A 94 -11.406 1.975 -3.918 1.00 0.60 C ATOM 1369 O CYS A 94 -11.038 1.278 -2.971 1.00 0.63 O ATOM 1370 CB CYS A 94 -10.881 4.411 -4.197 1.00 0.67 C ATOM 1371 SG CYS A 94 -11.193 4.689 -2.420 1.00 1.02 S ATOM 0 H CYS A 94 -10.696 3.667 -6.528 1.00 0.55 H new ATOM 0 HA CYS A 94 -9.454 2.802 -4.185 1.00 0.58 H new ATOM 0 HB2 CYS A 94 -10.102 5.098 -4.526 1.00 0.67 H new ATOM 0 HB3 CYS A 94 -11.784 4.662 -4.754 1.00 0.67 H new ATOM 1376 N VAL A 95 -12.615 1.880 -4.462 1.00 0.64 N ATOM 1377 CA VAL A 95 -13.603 0.937 -3.962 1.00 0.71 C ATOM 1378 C VAL A 95 -13.103 -0.491 -4.124 1.00 0.65 C ATOM 1379 O VAL A 95 -13.253 -1.318 -3.232 1.00 0.67 O ATOM 1380 CB VAL A 95 -14.956 1.093 -4.690 1.00 0.83 C ATOM 1381 CG1 VAL A 95 -16.002 0.160 -4.097 1.00 0.96 C ATOM 1382 CG2 VAL A 95 -15.432 2.538 -4.633 1.00 1.04 C ATOM 0 H VAL A 95 -12.932 2.446 -5.249 1.00 0.64 H new ATOM 0 HA VAL A 95 -13.754 1.154 -2.905 1.00 0.71 H new ATOM 0 HB VAL A 95 -14.812 0.820 -5.735 1.00 0.83 H new ATOM 0 HG11 VAL A 95 -16.946 0.288 -4.626 1.00 0.96 H new ATOM 0 HG12 VAL A 95 -15.667 -0.872 -4.197 1.00 0.96 H new ATOM 0 HG13 VAL A 95 -16.143 0.395 -3.042 1.00 0.96 H new ATOM 0 HG21 VAL A 95 -16.387 2.627 -5.151 1.00 1.04 H new ATOM 0 HG22 VAL A 95 -15.554 2.840 -3.593 1.00 1.04 H new ATOM 0 HG23 VAL A 95 -14.696 3.183 -5.114 1.00 1.04 H new ATOM 1392 N SER A 96 -12.472 -0.750 -5.257 1.00 0.62 N ATOM 1393 CA SER A 96 -11.960 -2.072 -5.574 1.00 0.61 C ATOM 1394 C SER A 96 -10.885 -2.507 -4.572 1.00 0.55 C ATOM 1395 O SER A 96 -10.790 -3.682 -4.218 1.00 0.58 O ATOM 1396 CB SER A 96 -11.404 -2.059 -6.996 1.00 0.68 C ATOM 1397 OG SER A 96 -10.995 -3.350 -7.414 1.00 1.00 O ATOM 0 H SER A 96 -12.301 -0.052 -5.981 1.00 0.62 H new ATOM 0 HA SER A 96 -12.773 -2.795 -5.506 1.00 0.61 H new ATOM 0 HB2 SER A 96 -12.163 -1.679 -7.680 1.00 0.68 H new ATOM 0 HB3 SER A 96 -10.557 -1.375 -7.049 1.00 0.68 H new ATOM 0 HG SER A 96 -10.945 -3.945 -6.637 1.00 1.00 H new ATOM 1403 N LEU A 97 -10.087 -1.556 -4.104 1.00 0.56 N ATOM 1404 CA LEU A 97 -9.031 -1.855 -3.142 1.00 0.61 C ATOM 1405 C LEU A 97 -9.608 -2.059 -1.749 1.00 0.63 C ATOM 1406 O LEU A 97 -9.019 -2.747 -0.918 1.00 0.70 O ATOM 1407 CB LEU A 97 -7.989 -0.734 -3.133 1.00 0.69 C ATOM 1408 CG LEU A 97 -7.228 -0.553 -4.448 1.00 0.78 C ATOM 1409 CD1 LEU A 97 -6.290 0.638 -4.359 1.00 0.86 C ATOM 1410 CD2 LEU A 97 -6.454 -1.815 -4.792 1.00 0.89 C ATOM 0 H LEU A 97 -10.149 -0.574 -4.373 1.00 0.56 H new ATOM 0 HA LEU A 97 -8.544 -2.782 -3.445 1.00 0.61 H new ATOM 0 HB2 LEU A 97 -8.487 0.204 -2.886 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -7.270 -0.932 -2.338 1.00 0.69 H new ATOM 0 HG LEU A 97 -7.951 -0.364 -5.242 1.00 0.78 H new ATOM 0 HD11 LEU A 97 -5.757 0.752 -5.303 1.00 0.86 H new ATOM 0 HD12 LEU A 97 -6.866 1.541 -4.156 1.00 0.86 H new ATOM 0 HD13 LEU A 97 -5.573 0.477 -3.554 1.00 0.86 H new ATOM 0 HD21 LEU A 97 -5.919 -1.669 -5.730 1.00 0.89 H new ATOM 0 HD22 LEU A 97 -5.741 -2.032 -3.997 1.00 0.89 H new ATOM 0 HD23 LEU A 97 -7.147 -2.650 -4.896 1.00 0.89 H new ATOM 1422 N ALA A 98 -10.765 -1.469 -1.510 1.00 0.64 N ATOM 1423 CA ALA A 98 -11.463 -1.641 -0.244 1.00 0.75 C ATOM 1424 C ALA A 98 -12.234 -2.955 -0.235 1.00 0.71 C ATOM 1425 O ALA A 98 -12.498 -3.535 0.820 1.00 0.85 O ATOM 1426 CB ALA A 98 -12.397 -0.471 -0.002 1.00 0.92 C ATOM 0 H ALA A 98 -11.244 -0.864 -2.177 1.00 0.64 H new ATOM 0 HA ALA A 98 -10.729 -1.672 0.561 1.00 0.75 H new ATOM 0 HB1 ALA A 98 -12.915 -0.609 0.947 1.00 0.92 H new ATOM 0 HB2 ALA A 98 -11.821 0.454 0.030 1.00 0.92 H new ATOM 0 HB3 ALA A 98 -13.128 -0.416 -0.809 1.00 0.92 H new ATOM 1432 N THR A 99 -12.589 -3.420 -1.425 1.00 0.66 N ATOM 1433 CA THR A 99 -13.277 -4.690 -1.579 1.00 0.71 C ATOM 1434 C THR A 99 -12.272 -5.834 -1.680 1.00 0.66 C ATOM 1435 O THR A 99 -12.637 -7.007 -1.668 1.00 0.77 O ATOM 1436 CB THR A 99 -14.183 -4.682 -2.829 1.00 0.81 C ATOM 1437 OG1 THR A 99 -13.415 -4.374 -3.998 1.00 0.82 O ATOM 1438 CG2 THR A 99 -15.307 -3.666 -2.675 1.00 0.92 C ATOM 0 H THR A 99 -12.409 -2.931 -2.302 1.00 0.66 H new ATOM 0 HA THR A 99 -13.901 -4.839 -0.698 1.00 0.71 H new ATOM 0 HB THR A 99 -14.619 -5.675 -2.936 1.00 0.81 H new ATOM 0 HG1 THR A 99 -12.472 -4.272 -3.752 1.00 0.82 H new ATOM 0 HG21 THR A 99 -15.933 -3.678 -3.567 1.00 0.92 H new ATOM 0 HG22 THR A 99 -15.911 -3.921 -1.805 1.00 0.92 H new ATOM 0 HG23 THR A 99 -14.882 -2.671 -2.543 1.00 0.92 H new ATOM 1446 N LEU A 100 -11.001 -5.470 -1.772 1.00 0.59 N ATOM 1447 CA LEU A 100 -9.930 -6.443 -1.899 1.00 0.61 C ATOM 1448 C LEU A 100 -9.549 -6.954 -0.520 1.00 0.66 C ATOM 1449 O LEU A 100 -9.079 -6.189 0.322 1.00 0.93 O ATOM 1450 CB LEU A 100 -8.717 -5.796 -2.582 1.00 0.60 C ATOM 1451 CG LEU A 100 -7.765 -6.749 -3.320 1.00 0.69 C ATOM 1452 CD1 LEU A 100 -6.775 -5.957 -4.155 1.00 1.08 C ATOM 1453 CD2 LEU A 100 -7.020 -7.654 -2.349 1.00 0.73 C ATOM 0 H LEU A 100 -10.687 -4.500 -1.761 1.00 0.59 H new ATOM 0 HA LEU A 100 -10.267 -7.281 -2.510 1.00 0.61 H new ATOM 0 HB2 LEU A 100 -9.080 -5.055 -3.294 1.00 0.60 H new ATOM 0 HB3 LEU A 100 -8.145 -5.258 -1.826 1.00 0.60 H new ATOM 0 HG LEU A 100 -8.366 -7.380 -3.975 1.00 0.69 H new ATOM 0 HD11 LEU A 100 -6.105 -6.643 -4.673 1.00 1.08 H new ATOM 0 HD12 LEU A 100 -7.315 -5.355 -4.886 1.00 1.08 H new ATOM 0 HD13 LEU A 100 -6.193 -5.303 -3.506 1.00 1.08 H new ATOM 0 HD21 LEU A 100 -6.355 -8.315 -2.905 1.00 0.73 H new ATOM 0 HD22 LEU A 100 -6.434 -7.045 -1.661 1.00 0.73 H new ATOM 0 HD23 LEU A 100 -7.737 -8.251 -1.785 1.00 0.73 H new ATOM 1465 N ASN A 101 -9.756 -8.238 -0.286 1.00 0.60 N ATOM 1466 CA ASN A 101 -9.454 -8.821 1.008 1.00 0.66 C ATOM 1467 C ASN A 101 -7.959 -8.986 1.200 1.00 0.70 C ATOM 1468 O ASN A 101 -7.362 -9.975 0.777 1.00 0.79 O ATOM 1469 CB ASN A 101 -10.160 -10.159 1.200 1.00 0.80 C ATOM 1470 CG ASN A 101 -9.918 -10.749 2.574 1.00 0.93 C ATOM 1471 OD1 ASN A 101 -9.822 -11.966 2.737 1.00 1.29 O ATOM 1472 ND2 ASN A 101 -9.858 -9.892 3.580 1.00 1.12 N ATOM 0 H ASN A 101 -10.130 -8.894 -0.972 1.00 0.60 H new ATOM 0 HA ASN A 101 -9.826 -8.130 1.764 1.00 0.66 H new ATOM 0 HB2 ASN A 101 -11.231 -10.026 1.048 1.00 0.80 H new ATOM 0 HB3 ASN A 101 -9.815 -10.861 0.441 1.00 0.80 H new ATOM 0 HD21 ASN A 101 -9.728 -10.232 4.533 1.00 1.12 H new ATOM 0 HD22 ASN A 101 -9.942 -8.891 3.403 1.00 1.12 H new ATOM 1479 N LEU A 102 -7.362 -7.991 1.820 1.00 0.76 N ATOM 1480 CA LEU A 102 -5.967 -8.043 2.172 1.00 0.88 C ATOM 1481 C LEU A 102 -5.825 -7.880 3.676 1.00 0.99 C ATOM 1482 O LEU A 102 -5.777 -6.776 4.214 1.00 1.50 O ATOM 1483 CB LEU A 102 -5.158 -7.001 1.378 1.00 1.07 C ATOM 1484 CG LEU A 102 -5.632 -5.548 1.479 1.00 1.01 C ATOM 1485 CD1 LEU A 102 -4.633 -4.713 2.266 1.00 1.55 C ATOM 1486 CD2 LEU A 102 -5.842 -4.958 0.092 1.00 1.47 C ATOM 0 H LEU A 102 -7.832 -7.127 2.092 1.00 0.76 H new ATOM 0 HA LEU A 102 -5.553 -9.014 1.900 1.00 0.88 H new ATOM 0 HB2 LEU A 102 -4.122 -7.046 1.713 1.00 1.07 H new ATOM 0 HB3 LEU A 102 -5.166 -7.291 0.327 1.00 1.07 H new ATOM 0 HG LEU A 102 -6.585 -5.534 2.008 1.00 1.01 H new ATOM 0 HD11 LEU A 102 -4.987 -3.684 2.327 1.00 1.55 H new ATOM 0 HD12 LEU A 102 -4.530 -5.121 3.271 1.00 1.55 H new ATOM 0 HD13 LEU A 102 -3.666 -4.735 1.764 1.00 1.55 H new ATOM 0 HD21 LEU A 102 -6.179 -3.925 0.183 1.00 1.47 H new ATOM 0 HD22 LEU A 102 -4.903 -4.986 -0.461 1.00 1.47 H new ATOM 0 HD23 LEU A 102 -6.595 -5.539 -0.441 1.00 1.47 H new ATOM 1498 N GLY A 103 -5.868 -9.013 4.352 1.00 0.92 N ATOM 1499 CA GLY A 103 -5.651 -9.050 5.780 1.00 1.04 C ATOM 1500 C GLY A 103 -4.524 -9.989 6.129 1.00 1.12 C ATOM 1501 O GLY A 103 -3.428 -9.555 6.477 1.00 1.70 O ATOM 0 H GLY A 103 -6.053 -9.923 3.929 1.00 0.92 H new ATOM 0 HA2 GLY A 103 -5.421 -8.048 6.143 1.00 1.04 H new ATOM 0 HA3 GLY A 103 -6.564 -9.369 6.282 1.00 1.04 H new ATOM 1505 N THR A 104 -4.791 -11.284 6.011 1.00 1.03 N ATOM 1506 CA THR A 104 -3.756 -12.296 6.153 1.00 1.28 C ATOM 1507 C THR A 104 -2.682 -12.094 5.083 1.00 1.06 C ATOM 1508 O THR A 104 -1.505 -12.404 5.279 1.00 1.25 O ATOM 1509 CB THR A 104 -4.355 -13.706 6.006 1.00 1.73 C ATOM 1510 OG1 THR A 104 -5.605 -13.777 6.708 1.00 2.31 O ATOM 1511 CG2 THR A 104 -3.406 -14.762 6.551 1.00 2.21 C ATOM 0 H THR A 104 -5.720 -11.657 5.817 1.00 1.03 H new ATOM 0 HA THR A 104 -3.313 -12.198 7.144 1.00 1.28 H new ATOM 0 HB THR A 104 -4.515 -13.900 4.945 1.00 1.73 H new ATOM 0 HG1 THR A 104 -5.984 -14.675 6.611 1.00 2.31 H new ATOM 0 HG21 THR A 104 -3.854 -15.749 6.435 1.00 2.21 H new ATOM 0 HG22 THR A 104 -2.465 -14.724 6.002 1.00 2.21 H new ATOM 0 HG23 THR A 104 -3.218 -14.571 7.608 1.00 2.21 H new ATOM 1519 N SER A 105 -3.111 -11.551 3.954 1.00 0.97 N ATOM 1520 CA SER A 105 -2.244 -11.298 2.819 1.00 1.06 C ATOM 1521 C SER A 105 -1.696 -9.873 2.843 1.00 1.02 C ATOM 1522 O SER A 105 -1.135 -9.395 1.862 1.00 1.48 O ATOM 1523 CB SER A 105 -3.051 -11.523 1.550 1.00 1.35 C ATOM 1524 OG SER A 105 -4.344 -10.946 1.684 1.00 2.06 O ATOM 0 H SER A 105 -4.080 -11.272 3.801 1.00 0.97 H new ATOM 0 HA SER A 105 -1.391 -11.975 2.859 1.00 1.06 H new ATOM 0 HB2 SER A 105 -2.534 -11.082 0.698 1.00 1.35 H new ATOM 0 HB3 SER A 105 -3.140 -12.591 1.351 1.00 1.35 H new ATOM 0 HG SER A 105 -4.965 -11.614 2.042 1.00 2.06 H new ATOM 1530 N ALA A 106 -1.866 -9.193 3.961 1.00 0.76 N ATOM 1531 CA ALA A 106 -1.414 -7.820 4.080 1.00 0.73 C ATOM 1532 C ALA A 106 -0.593 -7.610 5.331 1.00 0.59 C ATOM 1533 O ALA A 106 -0.654 -8.397 6.273 1.00 0.67 O ATOM 1534 CB ALA A 106 -2.593 -6.867 4.085 1.00 0.90 C ATOM 0 H ALA A 106 -2.313 -9.568 4.798 1.00 0.76 H new ATOM 0 HA ALA A 106 -0.784 -7.613 3.215 1.00 0.73 H new ATOM 0 HB1 ALA A 106 -2.232 -5.842 4.175 1.00 0.90 H new ATOM 0 HB2 ALA A 106 -3.152 -6.975 3.155 1.00 0.90 H new ATOM 0 HB3 ALA A 106 -3.244 -7.098 4.928 1.00 0.90 H new ATOM 1540 N LYS A 107 0.188 -6.545 5.328 1.00 0.51 N ATOM 1541 CA LYS A 107 0.874 -6.120 6.526 1.00 0.47 C ATOM 1542 C LYS A 107 -0.009 -5.105 7.234 1.00 0.51 C ATOM 1543 O LYS A 107 -0.171 -5.132 8.453 1.00 0.70 O ATOM 1544 CB LYS A 107 2.229 -5.491 6.195 1.00 0.58 C ATOM 1545 CG LYS A 107 3.074 -6.296 5.221 1.00 0.99 C ATOM 1546 CD LYS A 107 3.448 -7.662 5.775 1.00 0.67 C ATOM 1547 CE LYS A 107 4.261 -7.544 7.052 1.00 1.07 C ATOM 1548 NZ LYS A 107 4.761 -8.863 7.522 1.00 1.69 N ATOM 0 H LYS A 107 0.360 -5.962 4.509 1.00 0.51 H new ATOM 0 HA LYS A 107 1.061 -6.983 7.164 1.00 0.47 H new ATOM 0 HB2 LYS A 107 2.063 -4.498 5.778 1.00 0.58 H new ATOM 0 HB3 LYS A 107 2.790 -5.358 7.120 1.00 0.58 H new ATOM 0 HG2 LYS A 107 2.527 -6.422 4.287 1.00 0.99 H new ATOM 0 HG3 LYS A 107 3.982 -5.741 4.986 1.00 0.99 H new ATOM 0 HD2 LYS A 107 2.542 -8.236 5.971 1.00 0.67 H new ATOM 0 HD3 LYS A 107 4.020 -8.214 5.029 1.00 0.67 H new ATOM 0 HE2 LYS A 107 5.106 -6.876 6.883 1.00 1.07 H new ATOM 0 HE3 LYS A 107 3.648 -7.091 7.831 1.00 1.07 H new ATOM 0 HZ1 LYS A 107 5.518 -8.719 8.220 1.00 1.69 H new ATOM 0 HZ2 LYS A 107 3.982 -9.393 7.961 1.00 1.69 H new ATOM 0 HZ3 LYS A 107 5.133 -9.401 6.714 1.00 1.69 H new ATOM 1562 N GLY A 108 -0.596 -4.223 6.430 1.00 0.50 N ATOM 1563 CA GLY A 108 -1.532 -3.242 6.927 1.00 0.61 C ATOM 1564 C GLY A 108 -1.903 -2.249 5.862 1.00 0.58 C ATOM 1565 O GLY A 108 -1.056 -1.825 5.078 1.00 0.81 O ATOM 0 H GLY A 108 -0.432 -4.175 5.424 1.00 0.50 H new ATOM 0 HA2 GLY A 108 -2.430 -3.744 7.287 1.00 0.61 H new ATOM 0 HA3 GLY A 108 -1.096 -2.719 7.778 1.00 0.61 H new ATOM 1569 N TYR A 109 -3.154 -1.866 5.841 1.00 0.52 N ATOM 1570 CA TYR A 109 -3.647 -0.974 4.819 1.00 0.49 C ATOM 1571 C TYR A 109 -3.812 0.429 5.397 1.00 0.47 C ATOM 1572 O TYR A 109 -4.552 0.624 6.360 1.00 0.51 O ATOM 1573 CB TYR A 109 -4.981 -1.519 4.315 1.00 0.58 C ATOM 1574 CG TYR A 109 -5.520 -0.847 3.082 1.00 0.57 C ATOM 1575 CD1 TYR A 109 -5.736 0.517 3.066 1.00 1.25 C ATOM 1576 CD2 TYR A 109 -5.786 -1.567 1.936 1.00 0.98 C ATOM 1577 CE1 TYR A 109 -6.209 1.154 1.937 1.00 1.39 C ATOM 1578 CE2 TYR A 109 -6.255 -0.946 0.796 1.00 1.13 C ATOM 1579 CZ TYR A 109 -6.558 0.371 0.817 1.00 0.99 C ATOM 1580 OH TYR A 109 -6.935 1.040 -0.332 1.00 1.28 O ATOM 0 H TYR A 109 -3.854 -2.159 6.523 1.00 0.52 H new ATOM 0 HA TYR A 109 -2.944 -0.913 3.988 1.00 0.49 H new ATOM 0 HB2 TYR A 109 -4.867 -2.583 4.109 1.00 0.58 H new ATOM 0 HB3 TYR A 109 -5.718 -1.426 5.112 1.00 0.58 H new ATOM 0 HD1 TYR A 109 -5.531 1.096 3.954 1.00 1.25 H new ATOM 0 HD2 TYR A 109 -5.625 -2.635 1.931 1.00 0.98 H new ATOM 0 HE1 TYR A 109 -6.310 2.229 1.912 1.00 1.39 H new ATOM 0 HE2 TYR A 109 -6.380 -1.513 -0.114 1.00 1.13 H new ATOM 0 HH TYR A 109 -7.686 0.571 -0.752 1.00 1.28 H new ATOM 1590 N GLY A 110 -3.147 1.409 4.799 1.00 0.45 N ATOM 1591 CA GLY A 110 -3.238 2.764 5.294 1.00 0.48 C ATOM 1592 C GLY A 110 -3.883 3.684 4.287 1.00 0.52 C ATOM 1593 O GLY A 110 -3.976 3.344 3.117 1.00 0.85 O ATOM 0 H GLY A 110 -2.548 1.288 3.982 1.00 0.45 H new ATOM 0 HA2 GLY A 110 -3.815 2.776 6.219 1.00 0.48 H new ATOM 0 HA3 GLY A 110 -2.240 3.131 5.536 1.00 0.48 H new ATOM 1597 N VAL A 111 -4.364 4.830 4.741 1.00 0.44 N ATOM 1598 CA VAL A 111 -4.950 5.822 3.847 1.00 0.50 C ATOM 1599 C VAL A 111 -4.535 7.214 4.295 1.00 0.50 C ATOM 1600 O VAL A 111 -4.635 7.536 5.477 1.00 0.52 O ATOM 1601 CB VAL A 111 -6.500 5.743 3.810 1.00 0.64 C ATOM 1602 CG1 VAL A 111 -7.075 6.808 2.886 1.00 1.25 C ATOM 1603 CG2 VAL A 111 -6.972 4.366 3.374 1.00 1.53 C ATOM 0 H VAL A 111 -4.361 5.099 5.725 1.00 0.44 H new ATOM 0 HA VAL A 111 -4.582 5.612 2.843 1.00 0.50 H new ATOM 0 HB VAL A 111 -6.861 5.924 4.822 1.00 0.64 H new ATOM 0 HG11 VAL A 111 -8.162 6.733 2.876 1.00 1.25 H new ATOM 0 HG12 VAL A 111 -6.783 7.796 3.243 1.00 1.25 H new ATOM 0 HG13 VAL A 111 -6.692 6.659 1.876 1.00 1.25 H new ATOM 0 HG21 VAL A 111 -8.062 4.343 3.358 1.00 1.53 H new ATOM 0 HG22 VAL A 111 -6.590 4.149 2.376 1.00 1.53 H new ATOM 0 HG23 VAL A 111 -6.603 3.616 4.074 1.00 1.53 H new ATOM 1613 N ASN A 112 -4.050 8.023 3.353 1.00 0.53 N ATOM 1614 CA ASN A 112 -3.645 9.404 3.636 1.00 0.60 C ATOM 1615 C ASN A 112 -2.503 9.469 4.635 1.00 0.56 C ATOM 1616 O ASN A 112 -2.347 10.453 5.357 1.00 0.69 O ATOM 1617 CB ASN A 112 -4.831 10.224 4.147 1.00 0.69 C ATOM 1618 CG ASN A 112 -5.823 10.508 3.049 1.00 0.79 C ATOM 1619 OD1 ASN A 112 -5.448 10.626 1.890 1.00 1.07 O ATOM 1620 ND2 ASN A 112 -7.082 10.631 3.402 1.00 1.16 N ATOM 0 H ASN A 112 -3.927 7.745 2.379 1.00 0.53 H new ATOM 0 HA ASN A 112 -3.293 9.830 2.697 1.00 0.60 H new ATOM 0 HB2 ASN A 112 -5.326 9.685 4.955 1.00 0.69 H new ATOM 0 HB3 ASN A 112 -4.471 11.164 4.565 1.00 0.69 H new ATOM 0 HD21 ASN A 112 -7.792 10.833 2.698 1.00 1.16 H new ATOM 0 HD22 ASN A 112 -7.350 10.525 4.380 1.00 1.16 H new ATOM 1627 N ILE A 113 -1.690 8.434 4.642 1.00 0.54 N ATOM 1628 CA ILE A 113 -0.559 8.358 5.544 1.00 0.54 C ATOM 1629 C ILE A 113 0.718 8.786 4.835 1.00 0.60 C ATOM 1630 O ILE A 113 1.178 8.124 3.904 1.00 0.73 O ATOM 1631 CB ILE A 113 -0.407 6.932 6.105 1.00 0.58 C ATOM 1632 CG1 ILE A 113 -1.630 6.579 6.955 1.00 0.77 C ATOM 1633 CG2 ILE A 113 0.875 6.804 6.921 1.00 0.76 C ATOM 1634 CD1 ILE A 113 -1.634 5.150 7.449 1.00 0.83 C ATOM 0 H ILE A 113 -1.793 7.626 4.027 1.00 0.54 H new ATOM 0 HA ILE A 113 -0.739 9.039 6.376 1.00 0.54 H new ATOM 0 HB ILE A 113 -0.342 6.231 5.273 1.00 0.58 H new ATOM 0 HG12 ILE A 113 -1.672 7.251 7.812 1.00 0.77 H new ATOM 0 HG13 ILE A 113 -2.532 6.754 6.369 1.00 0.77 H new ATOM 0 HG21 ILE A 113 0.961 5.788 7.307 1.00 0.76 H new ATOM 0 HG22 ILE A 113 1.734 7.025 6.287 1.00 0.76 H new ATOM 0 HG23 ILE A 113 0.848 7.507 7.753 1.00 0.76 H new ATOM 0 HD11 ILE A 113 -2.530 4.973 8.044 1.00 0.83 H new ATOM 0 HD12 ILE A 113 -1.624 4.470 6.597 1.00 0.83 H new ATOM 0 HD13 ILE A 113 -0.751 4.975 8.063 1.00 0.83 H new ATOM 1646 N SER A 114 1.270 9.909 5.260 1.00 0.60 N ATOM 1647 CA SER A 114 2.520 10.393 4.706 1.00 0.70 C ATOM 1648 C SER A 114 3.691 9.880 5.537 1.00 0.67 C ATOM 1649 O SER A 114 4.152 10.537 6.473 1.00 0.77 O ATOM 1650 CB SER A 114 2.531 11.924 4.638 1.00 0.83 C ATOM 1651 OG SER A 114 1.511 12.405 3.769 1.00 1.58 O ATOM 0 H SER A 114 0.871 10.502 5.987 1.00 0.60 H new ATOM 0 HA SER A 114 2.620 10.014 3.689 1.00 0.70 H new ATOM 0 HB2 SER A 114 2.387 12.337 5.637 1.00 0.83 H new ATOM 0 HB3 SER A 114 3.504 12.269 4.288 1.00 0.83 H new ATOM 0 HG SER A 114 1.538 13.384 3.744 1.00 1.58 H new ATOM 1657 N GLY A 115 4.130 8.671 5.214 1.00 0.70 N ATOM 1658 CA GLY A 115 5.217 8.048 5.937 1.00 0.70 C ATOM 1659 C GLY A 115 5.162 6.540 5.835 1.00 0.70 C ATOM 1660 O GLY A 115 5.264 5.845 6.841 1.00 0.75 O ATOM 0 H GLY A 115 3.747 8.107 4.456 1.00 0.70 H new ATOM 0 HA2 GLY A 115 6.169 8.405 5.543 1.00 0.70 H new ATOM 0 HA3 GLY A 115 5.174 8.344 6.985 1.00 0.70 H new ATOM 1664 N GLU A 116 5.008 6.045 4.608 1.00 0.73 N ATOM 1665 CA GLU A 116 4.892 4.610 4.342 1.00 0.77 C ATOM 1666 C GLU A 116 6.067 3.840 4.937 1.00 0.75 C ATOM 1667 O GLU A 116 5.897 2.746 5.475 1.00 0.84 O ATOM 1668 CB GLU A 116 4.840 4.369 2.832 1.00 0.82 C ATOM 1669 CG GLU A 116 4.539 2.934 2.442 1.00 0.97 C ATOM 1670 CD GLU A 116 3.064 2.609 2.511 1.00 1.60 C ATOM 1671 OE1 GLU A 116 2.424 2.938 3.532 1.00 2.30 O ATOM 1672 OE2 GLU A 116 2.536 2.061 1.524 1.00 2.05 O ATOM 0 H GLU A 116 4.960 6.625 3.771 1.00 0.73 H new ATOM 0 HA GLU A 116 3.974 4.252 4.809 1.00 0.77 H new ATOM 0 HB2 GLU A 116 4.080 5.019 2.397 1.00 0.82 H new ATOM 0 HB3 GLU A 116 5.796 4.660 2.396 1.00 0.82 H new ATOM 0 HG2 GLU A 116 4.900 2.753 1.429 1.00 0.97 H new ATOM 0 HG3 GLU A 116 5.087 2.260 3.101 1.00 0.97 H new ATOM 1679 N ASN A 117 7.258 4.433 4.850 1.00 0.67 N ATOM 1680 CA ASN A 117 8.487 3.821 5.360 1.00 0.67 C ATOM 1681 C ASN A 117 8.318 3.365 6.809 1.00 0.69 C ATOM 1682 O ASN A 117 8.938 2.395 7.245 1.00 0.75 O ATOM 1683 CB ASN A 117 9.642 4.817 5.271 1.00 0.71 C ATOM 1684 CG ASN A 117 10.992 4.135 5.165 1.00 1.03 C ATOM 1685 OD1 ASN A 117 11.529 3.959 4.074 1.00 1.95 O ATOM 1686 ND2 ASN A 117 11.530 3.722 6.297 1.00 0.96 N ATOM 0 H ASN A 117 7.399 5.349 4.425 1.00 0.67 H new ATOM 0 HA ASN A 117 8.706 2.947 4.747 1.00 0.67 H new ATOM 0 HB2 ASN A 117 9.495 5.461 4.404 1.00 0.71 H new ATOM 0 HB3 ASN A 117 9.632 5.460 6.151 1.00 0.71 H new ATOM 0 HD21 ASN A 117 12.426 3.235 6.288 1.00 0.96 H new ATOM 0 HD22 ASN A 117 11.049 3.889 7.181 1.00 0.96 H new ATOM 1693 N ASN A 118 7.470 4.073 7.549 1.00 0.70 N ATOM 1694 CA ASN A 118 7.175 3.724 8.930 1.00 0.80 C ATOM 1695 C ASN A 118 5.682 3.896 9.194 1.00 0.82 C ATOM 1696 O ASN A 118 5.261 4.807 9.913 1.00 1.00 O ATOM 1697 CB ASN A 118 7.994 4.584 9.907 1.00 0.90 C ATOM 1698 CG ASN A 118 9.492 4.334 9.812 1.00 1.75 C ATOM 1699 OD1 ASN A 118 10.192 4.959 9.011 1.00 2.60 O ATOM 1700 ND2 ASN A 118 10.001 3.439 10.645 1.00 2.33 N ATOM 0 H ASN A 118 6.973 4.897 7.210 1.00 0.70 H new ATOM 0 HA ASN A 118 7.453 2.682 9.091 1.00 0.80 H new ATOM 0 HB2 ASN A 118 7.794 5.637 9.710 1.00 0.90 H new ATOM 0 HB3 ASN A 118 7.662 4.382 10.925 1.00 0.90 H new ATOM 0 HD21 ASN A 118 11.003 3.247 10.638 1.00 2.33 H new ATOM 0 HD22 ASN A 118 9.391 2.941 11.294 1.00 2.33 H new ATOM 1707 N ILE A 119 4.881 3.041 8.567 1.00 0.78 N ATOM 1708 CA ILE A 119 3.428 3.084 8.708 1.00 0.87 C ATOM 1709 C ILE A 119 2.995 2.909 10.174 1.00 0.71 C ATOM 1710 O ILE A 119 3.692 2.273 10.974 1.00 0.73 O ATOM 1711 CB ILE A 119 2.758 2.010 7.808 1.00 1.22 C ATOM 1712 CG1 ILE A 119 1.234 2.178 7.789 1.00 1.45 C ATOM 1713 CG2 ILE A 119 3.140 0.606 8.266 1.00 1.38 C ATOM 1714 CD1 ILE A 119 0.540 1.281 6.785 1.00 2.02 C ATOM 0 H ILE A 119 5.217 2.302 7.950 1.00 0.78 H new ATOM 0 HA ILE A 119 3.095 4.069 8.381 1.00 0.87 H new ATOM 0 HB ILE A 119 3.124 2.150 6.791 1.00 1.22 H new ATOM 0 HG12 ILE A 119 0.841 1.969 8.784 1.00 1.45 H new ATOM 0 HG13 ILE A 119 0.994 3.217 7.563 1.00 1.45 H new ATOM 0 HG21 ILE A 119 2.660 -0.130 7.622 1.00 1.38 H new ATOM 0 HG22 ILE A 119 4.222 0.487 8.210 1.00 1.38 H new ATOM 0 HG23 ILE A 119 2.812 0.457 9.295 1.00 1.38 H new ATOM 0 HD11 ILE A 119 -0.536 1.453 6.826 1.00 2.02 H new ATOM 0 HD12 ILE A 119 0.905 1.506 5.783 1.00 2.02 H new ATOM 0 HD13 ILE A 119 0.750 0.238 7.023 1.00 2.02 H new ATOM 1726 N THR A 120 1.855 3.498 10.515 1.00 0.70 N ATOM 1727 CA THR A 120 1.356 3.510 11.884 1.00 0.64 C ATOM 1728 C THR A 120 0.579 2.235 12.221 1.00 0.56 C ATOM 1729 O THR A 120 0.390 1.369 11.363 1.00 0.54 O ATOM 1730 CB THR A 120 0.457 4.741 12.114 1.00 0.79 C ATOM 1731 OG1 THR A 120 0.235 5.418 10.868 1.00 1.59 O ATOM 1732 CG2 THR A 120 1.096 5.702 13.106 1.00 1.33 C ATOM 0 H THR A 120 1.251 3.981 9.850 1.00 0.70 H new ATOM 0 HA THR A 120 2.222 3.559 12.544 1.00 0.64 H new ATOM 0 HB THR A 120 -0.494 4.400 12.524 1.00 0.79 H new ATOM 0 HG1 THR A 120 -0.391 4.899 10.321 1.00 1.59 H new ATOM 0 HG21 THR A 120 0.443 6.562 13.252 1.00 1.33 H new ATOM 0 HG22 THR A 120 1.246 5.195 14.059 1.00 1.33 H new ATOM 0 HG23 THR A 120 2.058 6.038 12.719 1.00 1.33 H new ATOM 1740 N SER A 121 0.168 2.120 13.484 1.00 0.57 N ATOM 1741 CA SER A 121 -0.583 0.961 13.968 1.00 0.55 C ATOM 1742 C SER A 121 -1.866 0.725 13.168 1.00 0.52 C ATOM 1743 O SER A 121 -2.372 1.623 12.490 1.00 0.57 O ATOM 1744 CB SER A 121 -0.913 1.139 15.448 1.00 0.65 C ATOM 1745 OG SER A 121 0.271 1.163 16.228 1.00 1.27 O ATOM 0 H SER A 121 0.346 2.826 14.199 1.00 0.57 H new ATOM 0 HA SER A 121 0.048 0.082 13.833 1.00 0.55 H new ATOM 0 HB2 SER A 121 -1.468 2.066 15.593 1.00 0.65 H new ATOM 0 HB3 SER A 121 -1.558 0.326 15.782 1.00 0.65 H new ATOM 0 HG SER A 121 0.038 1.280 17.173 1.00 1.27 H new ATOM 1751 N PHE A 122 -2.397 -0.487 13.278 1.00 0.49 N ATOM 1752 CA PHE A 122 -3.503 -0.916 12.432 1.00 0.50 C ATOM 1753 C PHE A 122 -4.771 -1.166 13.246 1.00 0.53 C ATOM 1754 O PHE A 122 -4.715 -1.663 14.375 1.00 0.68 O ATOM 1755 CB PHE A 122 -3.108 -2.189 11.678 1.00 0.52 C ATOM 1756 CG PHE A 122 -1.755 -2.110 11.029 1.00 0.52 C ATOM 1757 CD1 PHE A 122 -1.574 -1.374 9.869 1.00 0.53 C ATOM 1758 CD2 PHE A 122 -0.667 -2.777 11.570 1.00 0.61 C ATOM 1759 CE1 PHE A 122 -0.336 -1.303 9.261 1.00 0.59 C ATOM 1760 CE2 PHE A 122 0.576 -2.708 10.966 1.00 0.66 C ATOM 1761 CZ PHE A 122 0.758 -1.956 9.848 1.00 0.63 C ATOM 0 H PHE A 122 -2.079 -1.190 13.945 1.00 0.49 H new ATOM 0 HA PHE A 122 -3.716 -0.116 11.723 1.00 0.50 H new ATOM 0 HB2 PHE A 122 -3.120 -3.030 12.371 1.00 0.52 H new ATOM 0 HB3 PHE A 122 -3.857 -2.395 10.913 1.00 0.52 H new ATOM 0 HD1 PHE A 122 -2.412 -0.849 9.435 1.00 0.53 H new ATOM 0 HD2 PHE A 122 -0.791 -3.357 12.473 1.00 0.61 H new ATOM 0 HE1 PHE A 122 -0.211 -0.750 8.342 1.00 0.59 H new ATOM 0 HE2 PHE A 122 1.407 -3.255 11.385 1.00 0.66 H new ATOM 0 HZ PHE A 122 1.742 -1.862 9.413 1.00 0.63 H new ATOM 1771 N GLY A 123 -5.909 -0.820 12.658 1.00 0.53 N ATOM 1772 CA GLY A 123 -7.195 -1.036 13.297 1.00 0.60 C ATOM 1773 C GLY A 123 -8.228 -1.523 12.302 1.00 0.67 C ATOM 1774 O GLY A 123 -7.997 -2.510 11.604 1.00 1.24 O ATOM 0 H GLY A 123 -5.964 -0.387 11.736 1.00 0.53 H new ATOM 0 HA2 GLY A 123 -7.087 -1.766 14.099 1.00 0.60 H new ATOM 0 HA3 GLY A 123 -7.537 -0.108 13.755 1.00 0.60 H new ATOM 1778 N ASN A 124 -9.359 -0.833 12.218 1.00 0.58 N ATOM 1779 CA ASN A 124 -10.386 -1.168 11.231 1.00 0.60 C ATOM 1780 C ASN A 124 -10.926 0.083 10.549 1.00 0.61 C ATOM 1781 O ASN A 124 -11.909 0.021 9.813 1.00 0.99 O ATOM 1782 CB ASN A 124 -11.546 -1.942 11.862 1.00 0.81 C ATOM 1783 CG ASN A 124 -11.289 -3.435 11.939 1.00 1.83 C ATOM 1784 OD1 ASN A 124 -10.726 -3.941 12.912 1.00 2.63 O ATOM 1785 ND2 ASN A 124 -11.716 -4.156 10.910 1.00 2.45 N ATOM 0 H ASN A 124 -9.591 -0.041 12.817 1.00 0.58 H new ATOM 0 HA ASN A 124 -9.907 -1.803 10.485 1.00 0.60 H new ATOM 0 HB2 ASN A 124 -11.729 -1.558 12.866 1.00 0.81 H new ATOM 0 HB3 ASN A 124 -12.452 -1.764 11.283 1.00 0.81 H new ATOM 0 HD21 ASN A 124 -11.583 -5.167 10.906 1.00 2.45 H new ATOM 0 HD22 ASN A 124 -12.178 -3.699 10.124 1.00 2.45 H new ATOM 1792 N SER A 125 -10.273 1.207 10.786 1.00 0.51 N ATOM 1793 CA SER A 125 -10.682 2.468 10.187 1.00 0.55 C ATOM 1794 C SER A 125 -9.622 2.939 9.197 1.00 0.49 C ATOM 1795 O SER A 125 -8.496 2.439 9.194 1.00 0.64 O ATOM 1796 CB SER A 125 -10.913 3.515 11.284 1.00 0.73 C ATOM 1797 OG SER A 125 -11.338 4.759 10.746 1.00 1.33 O ATOM 0 H SER A 125 -9.454 1.274 11.391 1.00 0.51 H new ATOM 0 HA SER A 125 -11.618 2.327 9.646 1.00 0.55 H new ATOM 0 HB2 SER A 125 -11.662 3.147 11.985 1.00 0.73 H new ATOM 0 HB3 SER A 125 -9.992 3.659 11.849 1.00 0.73 H new ATOM 0 HG SER A 125 -11.477 5.400 11.474 1.00 1.33 H new ATOM 1803 N ALA A 126 -9.988 3.893 8.357 1.00 0.61 N ATOM 1804 CA ALA A 126 -9.092 4.401 7.330 1.00 0.57 C ATOM 1805 C ALA A 126 -8.914 5.904 7.468 1.00 0.73 C ATOM 1806 O ALA A 126 -9.460 6.512 8.386 1.00 1.25 O ATOM 1807 CB ALA A 126 -9.631 4.063 5.951 1.00 0.62 C ATOM 0 H ALA A 126 -10.907 4.335 8.367 1.00 0.61 H new ATOM 0 HA ALA A 126 -8.119 3.926 7.457 1.00 0.57 H new ATOM 0 HB1 ALA A 126 -8.952 4.448 5.190 1.00 0.62 H new ATOM 0 HB2 ALA A 126 -9.715 2.981 5.848 1.00 0.62 H new ATOM 0 HB3 ALA A 126 -10.614 4.517 5.823 1.00 0.62 H new ATOM 1813 N ASP A 127 -8.144 6.485 6.544 1.00 0.96 N ATOM 1814 CA ASP A 127 -7.921 7.931 6.483 1.00 1.08 C ATOM 1815 C ASP A 127 -7.188 8.443 7.722 1.00 0.90 C ATOM 1816 O ASP A 127 -7.753 8.513 8.816 1.00 1.34 O ATOM 1817 CB ASP A 127 -9.245 8.677 6.282 1.00 1.42 C ATOM 1818 CG ASP A 127 -9.087 10.182 6.369 1.00 1.53 C ATOM 1819 OD1 ASP A 127 -8.091 10.706 5.824 1.00 2.08 O ATOM 1820 OD2 ASP A 127 -9.956 10.845 6.967 1.00 1.40 O ATOM 0 H ASP A 127 -7.657 5.964 5.815 1.00 0.96 H new ATOM 0 HA ASP A 127 -7.282 8.129 5.623 1.00 1.08 H new ATOM 0 HB2 ASP A 127 -9.661 8.415 5.309 1.00 1.42 H new ATOM 0 HB3 ASP A 127 -9.961 8.347 7.034 1.00 1.42 H new ATOM 1825 N GLN A 128 -5.908 8.771 7.527 1.00 0.95 N ATOM 1826 CA GLN A 128 -5.040 9.298 8.584 1.00 0.92 C ATOM 1827 C GLN A 128 -4.719 8.212 9.608 1.00 0.83 C ATOM 1828 O GLN A 128 -4.115 8.468 10.651 1.00 1.02 O ATOM 1829 CB GLN A 128 -5.678 10.526 9.240 1.00 1.02 C ATOM 1830 CG GLN A 128 -6.022 11.606 8.227 1.00 1.17 C ATOM 1831 CD GLN A 128 -6.887 12.711 8.787 1.00 1.60 C ATOM 1832 OE1 GLN A 128 -6.782 13.077 9.960 1.00 1.72 O ATOM 1833 NE2 GLN A 128 -7.778 13.224 7.955 1.00 2.54 N ATOM 0 H GLN A 128 -5.441 8.678 6.625 1.00 0.95 H new ATOM 0 HA GLN A 128 -4.097 9.616 8.138 1.00 0.92 H new ATOM 0 HB2 GLN A 128 -6.583 10.225 9.768 1.00 1.02 H new ATOM 0 HB3 GLN A 128 -4.995 10.934 9.985 1.00 1.02 H new ATOM 0 HG2 GLN A 128 -5.098 12.039 7.843 1.00 1.17 H new ATOM 0 HG3 GLN A 128 -6.535 11.148 7.381 1.00 1.17 H new ATOM 0 HE21 GLN A 128 -7.829 12.890 6.993 1.00 2.54 H new ATOM 0 HE22 GLN A 128 -8.415 13.954 8.276 1.00 2.54 H new ATOM 1842 N ALA A 129 -5.104 6.990 9.269 1.00 0.65 N ATOM 1843 CA ALA A 129 -4.839 5.827 10.092 1.00 0.63 C ATOM 1844 C ALA A 129 -4.795 4.587 9.213 1.00 0.52 C ATOM 1845 O ALA A 129 -5.191 4.632 8.043 1.00 0.47 O ATOM 1846 CB ALA A 129 -5.903 5.680 11.168 1.00 0.69 C ATOM 0 H ALA A 129 -5.612 6.780 8.410 1.00 0.65 H new ATOM 0 HA ALA A 129 -3.876 5.951 10.587 1.00 0.63 H new ATOM 0 HB1 ALA A 129 -5.687 4.801 11.776 1.00 0.69 H new ATOM 0 HB2 ALA A 129 -5.905 6.567 11.801 1.00 0.69 H new ATOM 0 HB3 ALA A 129 -6.881 5.566 10.700 1.00 0.69 H new ATOM 1852 N ALA A 130 -4.309 3.491 9.768 1.00 0.54 N ATOM 1853 CA ALA A 130 -4.213 2.244 9.031 1.00 0.50 C ATOM 1854 C ALA A 130 -5.081 1.174 9.677 1.00 0.47 C ATOM 1855 O ALA A 130 -5.430 1.277 10.853 1.00 0.53 O ATOM 1856 CB ALA A 130 -2.764 1.787 8.958 1.00 0.58 C ATOM 0 H ALA A 130 -3.974 3.440 10.730 1.00 0.54 H new ATOM 0 HA ALA A 130 -4.576 2.410 8.017 1.00 0.50 H new ATOM 0 HB1 ALA A 130 -2.705 0.851 8.403 1.00 0.58 H new ATOM 0 HB2 ALA A 130 -2.168 2.547 8.452 1.00 0.58 H new ATOM 0 HB3 ALA A 130 -2.379 1.636 9.966 1.00 0.58 H new ATOM 1862 N LYS A 131 -5.436 0.155 8.914 1.00 0.43 N ATOM 1863 CA LYS A 131 -6.227 -0.939 9.446 1.00 0.44 C ATOM 1864 C LYS A 131 -5.589 -2.273 9.086 1.00 0.45 C ATOM 1865 O LYS A 131 -4.743 -2.349 8.192 1.00 0.49 O ATOM 1866 CB LYS A 131 -7.688 -0.880 8.971 1.00 0.49 C ATOM 1867 CG LYS A 131 -7.950 -1.505 7.610 1.00 0.58 C ATOM 1868 CD LYS A 131 -7.412 -0.656 6.481 1.00 0.62 C ATOM 1869 CE LYS A 131 -7.969 0.754 6.533 1.00 0.89 C ATOM 1870 NZ LYS A 131 -7.686 1.494 5.285 1.00 1.43 N ATOM 0 H LYS A 131 -5.190 0.063 7.928 1.00 0.43 H new ATOM 0 HA LYS A 131 -6.244 -0.839 10.531 1.00 0.44 H new ATOM 0 HB2 LYS A 131 -8.314 -1.380 9.710 1.00 0.49 H new ATOM 0 HB3 LYS A 131 -8.002 0.163 8.941 1.00 0.49 H new ATOM 0 HG2 LYS A 131 -7.491 -2.493 7.571 1.00 0.58 H new ATOM 0 HG3 LYS A 131 -9.023 -1.647 7.477 1.00 0.58 H new ATOM 0 HD2 LYS A 131 -6.324 -0.621 6.537 1.00 0.62 H new ATOM 0 HD3 LYS A 131 -7.667 -1.114 5.526 1.00 0.62 H new ATOM 0 HE2 LYS A 131 -9.046 0.715 6.698 1.00 0.89 H new ATOM 0 HE3 LYS A 131 -7.536 1.287 7.379 1.00 0.89 H new ATOM 0 HZ1 LYS A 131 -7.049 2.290 5.490 1.00 1.43 H new ATOM 0 HZ2 LYS A 131 -7.234 0.857 4.598 1.00 1.43 H new ATOM 0 HZ3 LYS A 131 -8.576 1.857 4.887 1.00 1.43 H new ATOM 1884 N SER A 132 -6.001 -3.313 9.786 1.00 0.49 N ATOM 1885 CA SER A 132 -5.373 -4.615 9.673 1.00 0.59 C ATOM 1886 C SER A 132 -5.889 -5.408 8.470 1.00 0.68 C ATOM 1887 O SER A 132 -5.165 -6.231 7.908 1.00 0.97 O ATOM 1888 CB SER A 132 -5.612 -5.385 10.970 1.00 0.69 C ATOM 1889 OG SER A 132 -6.986 -5.359 11.326 1.00 1.43 O ATOM 0 H SER A 132 -6.778 -3.279 10.447 1.00 0.49 H new ATOM 0 HA SER A 132 -4.305 -4.472 9.510 1.00 0.59 H new ATOM 0 HB2 SER A 132 -5.282 -6.417 10.852 1.00 0.69 H new ATOM 0 HB3 SER A 132 -5.016 -4.950 11.772 1.00 0.69 H new ATOM 0 HG SER A 132 -7.118 -5.859 12.158 1.00 1.43 H new ATOM 1895 N THR A 133 -7.131 -5.155 8.072 1.00 0.72 N ATOM 1896 CA THR A 133 -7.750 -5.904 6.982 1.00 0.93 C ATOM 1897 C THR A 133 -8.591 -5.010 6.082 1.00 0.69 C ATOM 1898 O THR A 133 -9.241 -4.081 6.557 1.00 1.11 O ATOM 1899 CB THR A 133 -8.668 -7.016 7.520 1.00 1.84 C ATOM 1900 OG1 THR A 133 -9.570 -6.471 8.495 1.00 2.38 O ATOM 1901 CG2 THR A 133 -7.873 -8.155 8.141 1.00 2.26 C ATOM 0 H THR A 133 -7.728 -4.439 8.486 1.00 0.72 H new ATOM 0 HA THR A 133 -6.927 -6.333 6.409 1.00 0.93 H new ATOM 0 HB THR A 133 -9.229 -7.420 6.677 1.00 1.84 H new ATOM 0 HG1 THR A 133 -10.154 -7.182 8.834 1.00 2.38 H new ATOM 0 HG21 THR A 133 -8.558 -8.919 8.508 1.00 2.26 H new ATOM 0 HG22 THR A 133 -7.213 -8.590 7.390 1.00 2.26 H new ATOM 0 HG23 THR A 133 -7.277 -7.773 8.970 1.00 2.26 H new ATOM 1909 N ALA A 134 -8.596 -5.314 4.790 1.00 0.82 N ATOM 1910 CA ALA A 134 -9.497 -4.669 3.855 1.00 1.50 C ATOM 1911 C ALA A 134 -10.460 -5.718 3.335 1.00 1.30 C ATOM 1912 O ALA A 134 -10.031 -6.821 2.995 1.00 1.86 O ATOM 1913 CB ALA A 134 -8.725 -4.022 2.715 1.00 2.33 C ATOM 0 H ALA A 134 -7.980 -6.009 4.368 1.00 0.82 H new ATOM 0 HA ALA A 134 -10.049 -3.873 4.355 1.00 1.50 H new ATOM 0 HB1 ALA A 134 -9.423 -3.545 2.027 1.00 2.33 H new ATOM 0 HB2 ALA A 134 -8.043 -3.273 3.117 1.00 2.33 H new ATOM 0 HB3 ALA A 134 -8.155 -4.784 2.183 1.00 2.33 H new ATOM 1919 N ILE A 135 -11.750 -5.396 3.319 1.00 0.99 N ATOM 1920 CA ILE A 135 -12.788 -6.353 2.925 1.00 0.96 C ATOM 1921 C ILE A 135 -14.162 -5.840 3.330 1.00 1.21 C ATOM 1922 O ILE A 135 -15.198 -6.358 2.909 1.00 2.09 O ATOM 1923 CB ILE A 135 -12.566 -7.753 3.568 1.00 1.26 C ATOM 1924 CG1 ILE A 135 -13.527 -8.789 2.982 1.00 1.57 C ATOM 1925 CG2 ILE A 135 -12.724 -7.688 5.082 1.00 1.67 C ATOM 1926 CD1 ILE A 135 -13.390 -8.965 1.488 1.00 1.72 C ATOM 0 H ILE A 135 -12.106 -4.475 3.575 1.00 0.99 H new ATOM 0 HA ILE A 135 -12.728 -6.457 1.842 1.00 0.96 H new ATOM 0 HB ILE A 135 -11.546 -8.062 3.338 1.00 1.26 H new ATOM 0 HG12 ILE A 135 -13.355 -9.749 3.470 1.00 1.57 H new ATOM 0 HG13 ILE A 135 -14.551 -8.494 3.212 1.00 1.57 H new ATOM 0 HG21 ILE A 135 -12.564 -8.679 5.507 1.00 1.67 H new ATOM 0 HG22 ILE A 135 -11.992 -6.993 5.495 1.00 1.67 H new ATOM 0 HG23 ILE A 135 -13.729 -7.345 5.329 1.00 1.67 H new ATOM 0 HD11 ILE A 135 -14.102 -9.715 1.143 1.00 1.72 H new ATOM 0 HD12 ILE A 135 -13.592 -8.017 0.990 1.00 1.72 H new ATOM 0 HD13 ILE A 135 -12.377 -9.291 1.251 1.00 1.72 H new ATOM 1938 N THR A 136 -14.162 -4.809 4.133 1.00 1.18 N ATOM 1939 CA THR A 136 -15.386 -4.301 4.706 1.00 1.62 C ATOM 1940 C THR A 136 -15.848 -3.034 4.002 1.00 1.09 C ATOM 1941 O THR A 136 -15.036 -2.186 3.632 1.00 1.00 O ATOM 1942 CB THR A 136 -15.208 -4.009 6.206 1.00 2.43 C ATOM 1943 OG1 THR A 136 -14.031 -3.218 6.415 1.00 3.11 O ATOM 1944 CG2 THR A 136 -15.106 -5.300 7.005 1.00 3.17 C ATOM 0 H THR A 136 -13.322 -4.299 4.408 1.00 1.18 H new ATOM 0 HA THR A 136 -16.145 -5.072 4.573 1.00 1.62 H new ATOM 0 HB THR A 136 -16.083 -3.458 6.551 1.00 2.43 H new ATOM 0 HG1 THR A 136 -13.926 -3.035 7.372 1.00 3.11 H new ATOM 0 HG21 THR A 136 -14.981 -5.065 8.062 1.00 3.17 H new ATOM 0 HG22 THR A 136 -16.016 -5.885 6.869 1.00 3.17 H new ATOM 0 HG23 THR A 136 -14.249 -5.876 6.657 1.00 3.17 H new ATOM 1952 N PRO A 137 -17.164 -2.911 3.776 1.00 1.02 N ATOM 1953 CA PRO A 137 -17.779 -1.667 3.319 1.00 1.06 C ATOM 1954 C PRO A 137 -17.345 -0.472 4.166 1.00 0.97 C ATOM 1955 O PRO A 137 -17.213 0.643 3.662 1.00 1.12 O ATOM 1956 CB PRO A 137 -19.289 -1.916 3.479 1.00 1.46 C ATOM 1957 CG PRO A 137 -19.430 -3.255 4.130 1.00 1.55 C ATOM 1958 CD PRO A 137 -18.146 -3.992 3.890 1.00 1.31 C ATOM 0 HA PRO A 137 -17.488 -1.424 2.297 1.00 1.06 H new ATOM 0 HB2 PRO A 137 -19.748 -1.138 4.088 1.00 1.46 H new ATOM 0 HB3 PRO A 137 -19.790 -1.900 2.511 1.00 1.46 H new ATOM 0 HG2 PRO A 137 -19.620 -3.147 5.198 1.00 1.55 H new ATOM 0 HG3 PRO A 137 -20.274 -3.802 3.710 1.00 1.55 H new ATOM 0 HD2 PRO A 137 -17.909 -4.668 4.711 1.00 1.31 H new ATOM 0 HD3 PRO A 137 -18.190 -4.595 2.983 1.00 1.31 H new ATOM 1966 N ALA A 138 -17.122 -0.721 5.457 1.00 1.04 N ATOM 1967 CA ALA A 138 -16.618 0.302 6.372 1.00 1.16 C ATOM 1968 C ALA A 138 -15.304 0.895 5.865 1.00 0.92 C ATOM 1969 O ALA A 138 -15.117 2.111 5.891 1.00 0.97 O ATOM 1970 CB ALA A 138 -16.430 -0.276 7.766 1.00 1.54 C ATOM 0 H ALA A 138 -17.284 -1.628 5.894 1.00 1.04 H new ATOM 0 HA ALA A 138 -17.357 1.102 6.419 1.00 1.16 H new ATOM 0 HB1 ALA A 138 -16.054 0.499 8.434 1.00 1.54 H new ATOM 0 HB2 ALA A 138 -17.386 -0.644 8.139 1.00 1.54 H new ATOM 0 HB3 ALA A 138 -15.715 -1.098 7.726 1.00 1.54 H new ATOM 1976 N GLU A 139 -14.403 0.027 5.414 1.00 0.82 N ATOM 1977 CA GLU A 139 -13.152 0.450 4.792 1.00 0.81 C ATOM 1978 C GLU A 139 -13.435 1.371 3.604 1.00 0.71 C ATOM 1979 O GLU A 139 -12.923 2.491 3.533 1.00 0.80 O ATOM 1980 CB GLU A 139 -12.351 -0.791 4.349 1.00 0.97 C ATOM 1981 CG GLU A 139 -11.254 -0.518 3.320 1.00 1.27 C ATOM 1982 CD GLU A 139 -10.088 0.275 3.868 1.00 1.55 C ATOM 1983 OE1 GLU A 139 -10.322 1.340 4.472 1.00 1.90 O ATOM 1984 OE2 GLU A 139 -8.929 -0.148 3.695 1.00 2.13 O ATOM 0 H GLU A 139 -14.518 -0.985 5.469 1.00 0.82 H new ATOM 0 HA GLU A 139 -12.559 1.009 5.516 1.00 0.81 H new ATOM 0 HB2 GLU A 139 -11.897 -1.245 5.230 1.00 0.97 H new ATOM 0 HB3 GLU A 139 -13.044 -1.523 3.934 1.00 0.97 H new ATOM 0 HG2 GLU A 139 -10.886 -1.469 2.934 1.00 1.27 H new ATOM 0 HG3 GLU A 139 -11.685 0.023 2.477 1.00 1.27 H new ATOM 1991 N ALA A 140 -14.299 0.912 2.703 1.00 0.71 N ATOM 1992 CA ALA A 140 -14.641 1.665 1.499 1.00 0.90 C ATOM 1993 C ALA A 140 -15.235 3.027 1.841 1.00 0.85 C ATOM 1994 O ALA A 140 -14.940 4.029 1.186 1.00 1.08 O ATOM 1995 CB ALA A 140 -15.613 0.867 0.641 1.00 1.09 C ATOM 0 H ALA A 140 -14.779 0.015 2.785 1.00 0.71 H new ATOM 0 HA ALA A 140 -13.722 1.834 0.938 1.00 0.90 H new ATOM 0 HB1 ALA A 140 -15.861 1.438 -0.254 1.00 1.09 H new ATOM 0 HB2 ALA A 140 -15.153 -0.078 0.353 1.00 1.09 H new ATOM 0 HB3 ALA A 140 -16.522 0.669 1.209 1.00 1.09 H new ATOM 2001 N ALA A 141 -16.062 3.060 2.875 1.00 0.71 N ATOM 2002 CA ALA A 141 -16.745 4.280 3.272 1.00 0.82 C ATOM 2003 C ALA A 141 -15.802 5.261 3.960 1.00 0.79 C ATOM 2004 O ALA A 141 -15.997 6.473 3.883 1.00 0.92 O ATOM 2005 CB ALA A 141 -17.917 3.958 4.183 1.00 0.95 C ATOM 0 H ALA A 141 -16.277 2.250 3.457 1.00 0.71 H new ATOM 0 HA ALA A 141 -17.115 4.756 2.364 1.00 0.82 H new ATOM 0 HB1 ALA A 141 -18.418 4.882 4.472 1.00 0.95 H new ATOM 0 HB2 ALA A 141 -18.620 3.313 3.657 1.00 0.95 H new ATOM 0 HB3 ALA A 141 -17.555 3.448 5.075 1.00 0.95 H new ATOM 2011 N THR A 142 -14.788 4.747 4.641 1.00 0.72 N ATOM 2012 CA THR A 142 -13.874 5.601 5.379 1.00 0.83 C ATOM 2013 C THR A 142 -12.731 6.094 4.492 1.00 0.97 C ATOM 2014 O THR A 142 -12.256 7.219 4.650 1.00 1.17 O ATOM 2015 CB THR A 142 -13.304 4.869 6.610 1.00 0.84 C ATOM 2016 OG1 THR A 142 -14.372 4.260 7.349 1.00 0.81 O ATOM 2017 CG2 THR A 142 -12.558 5.834 7.518 1.00 1.00 C ATOM 0 H THR A 142 -14.580 3.750 4.697 1.00 0.72 H new ATOM 0 HA THR A 142 -14.444 6.466 5.718 1.00 0.83 H new ATOM 0 HB THR A 142 -12.609 4.106 6.260 1.00 0.84 H new ATOM 0 HG1 THR A 142 -14.766 3.536 6.818 1.00 0.81 H new ATOM 0 HG21 THR A 142 -12.165 5.293 8.379 1.00 1.00 H new ATOM 0 HG22 THR A 142 -11.734 6.288 6.968 1.00 1.00 H new ATOM 0 HG23 THR A 142 -13.239 6.614 7.859 1.00 1.00 H new ATOM 2025 N ALA A 143 -12.297 5.255 3.558 1.00 0.97 N ATOM 2026 CA ALA A 143 -11.203 5.612 2.658 1.00 1.19 C ATOM 2027 C ALA A 143 -11.578 6.792 1.761 1.00 1.05 C ATOM 2028 O ALA A 143 -11.083 7.905 1.944 1.00 1.28 O ATOM 2029 CB ALA A 143 -10.796 4.411 1.814 1.00 1.42 C ATOM 0 H ALA A 143 -12.684 4.324 3.403 1.00 0.97 H new ATOM 0 HA ALA A 143 -10.354 5.917 3.271 1.00 1.19 H new ATOM 0 HB1 ALA A 143 -9.980 4.693 1.149 1.00 1.42 H new ATOM 0 HB2 ALA A 143 -10.469 3.602 2.467 1.00 1.42 H new ATOM 0 HB3 ALA A 143 -11.648 4.077 1.222 1.00 1.42 H new ATOM 2035 N CYS A 144 -12.474 6.559 0.815 1.00 0.87 N ATOM 2036 CA CYS A 144 -12.875 7.601 -0.120 1.00 0.96 C ATOM 2037 C CYS A 144 -14.217 8.208 0.276 1.00 0.91 C ATOM 2038 O CYS A 144 -15.231 8.018 -0.398 1.00 1.26 O ATOM 2039 CB CYS A 144 -12.922 7.056 -1.553 1.00 1.28 C ATOM 2040 SG CYS A 144 -11.276 6.713 -2.268 1.00 1.45 S ATOM 0 H CYS A 144 -12.937 5.661 0.674 1.00 0.87 H new ATOM 0 HA CYS A 144 -12.127 8.393 -0.082 1.00 0.96 H new ATOM 0 HB2 CYS A 144 -13.510 6.138 -1.563 1.00 1.28 H new ATOM 0 HB3 CYS A 144 -13.441 7.774 -2.188 1.00 1.28 H new ATOM 2045 N LYS A 145 -14.216 8.930 1.392 1.00 1.09 N ATOM 2046 CA LYS A 145 -15.421 9.590 1.879 1.00 1.29 C ATOM 2047 C LYS A 145 -15.442 11.063 1.469 1.00 1.29 C ATOM 2048 O LYS A 145 -16.367 11.517 0.797 1.00 2.01 O ATOM 2049 CB LYS A 145 -15.536 9.455 3.407 1.00 1.65 C ATOM 2050 CG LYS A 145 -14.252 9.769 4.163 1.00 2.35 C ATOM 2051 CD LYS A 145 -14.445 9.645 5.668 1.00 3.18 C ATOM 2052 CE LYS A 145 -13.126 9.766 6.416 1.00 4.04 C ATOM 2053 NZ LYS A 145 -12.508 11.114 6.275 1.00 4.87 N ATOM 0 H LYS A 145 -13.392 9.073 1.977 1.00 1.09 H new ATOM 0 HA LYS A 145 -16.280 9.098 1.424 1.00 1.29 H new ATOM 0 HB2 LYS A 145 -16.324 10.120 3.760 1.00 1.65 H new ATOM 0 HB3 LYS A 145 -15.846 8.438 3.648 1.00 1.65 H new ATOM 0 HG2 LYS A 145 -13.463 9.090 3.839 1.00 2.35 H new ATOM 0 HG3 LYS A 145 -13.923 10.779 3.919 1.00 2.35 H new ATOM 0 HD2 LYS A 145 -15.131 10.419 6.012 1.00 3.18 H new ATOM 0 HD3 LYS A 145 -14.907 8.685 5.898 1.00 3.18 H new ATOM 0 HE2 LYS A 145 -13.291 9.555 7.473 1.00 4.04 H new ATOM 0 HE3 LYS A 145 -12.432 9.012 6.045 1.00 4.04 H new ATOM 0 HZ1 LYS A 145 -11.474 11.031 6.346 1.00 4.87 H new ATOM 0 HZ2 LYS A 145 -12.761 11.517 5.350 1.00 4.87 H new ATOM 0 HZ3 LYS A 145 -12.858 11.737 7.031 1.00 4.87 H new ATOM 2067 N ASN A 146 -14.412 11.796 1.858 1.00 1.10 N ATOM 2068 CA ASN A 146 -14.359 13.235 1.627 1.00 1.21 C ATOM 2069 C ASN A 146 -12.978 13.650 1.139 1.00 1.25 C ATOM 2070 O ASN A 146 -12.584 14.813 1.255 1.00 1.88 O ATOM 2071 CB ASN A 146 -14.704 13.987 2.920 1.00 1.56 C ATOM 2072 CG ASN A 146 -13.710 13.733 4.042 1.00 2.22 C ATOM 2073 OD1 ASN A 146 -13.070 12.681 4.103 1.00 2.76 O ATOM 2074 ND2 ASN A 146 -13.586 14.687 4.945 1.00 2.97 N ATOM 0 H ASN A 146 -13.595 11.418 2.338 1.00 1.10 H new ATOM 0 HA ASN A 146 -15.089 13.488 0.858 1.00 1.21 H new ATOM 0 HB2 ASN A 146 -14.742 15.056 2.712 1.00 1.56 H new ATOM 0 HB3 ASN A 146 -15.699 13.691 3.251 1.00 1.56 H new ATOM 0 HD21 ASN A 146 -12.943 14.568 5.728 1.00 2.97 H new ATOM 0 HD22 ASN A 146 -14.133 15.544 4.860 1.00 2.97 H new ATOM 2081 N THR A 147 -12.248 12.700 0.579 1.00 1.03 N ATOM 2082 CA THR A 147 -10.898 12.964 0.123 1.00 1.07 C ATOM 2083 C THR A 147 -10.896 13.408 -1.345 1.00 1.14 C ATOM 2084 O THR A 147 -11.190 12.635 -2.260 1.00 2.01 O ATOM 2085 CB THR A 147 -9.971 11.740 0.343 1.00 1.20 C ATOM 2086 OG1 THR A 147 -8.640 12.050 -0.071 1.00 1.79 O ATOM 2087 CG2 THR A 147 -10.469 10.505 -0.400 1.00 1.52 C ATOM 0 H THR A 147 -12.568 11.743 0.431 1.00 1.03 H new ATOM 0 HA THR A 147 -10.499 13.782 0.723 1.00 1.07 H new ATOM 0 HB THR A 147 -9.980 11.512 1.409 1.00 1.20 H new ATOM 0 HG1 THR A 147 -8.339 12.866 0.380 1.00 1.79 H new ATOM 0 HG21 THR A 147 -9.790 9.672 -0.218 1.00 1.52 H new ATOM 0 HG22 THR A 147 -11.466 10.244 -0.045 1.00 1.52 H new ATOM 0 HG23 THR A 147 -10.508 10.714 -1.469 1.00 1.52 H new ATOM 2095 N ASP A 148 -10.615 14.685 -1.553 1.00 0.94 N ATOM 2096 CA ASP A 148 -10.520 15.241 -2.895 1.00 1.01 C ATOM 2097 C ASP A 148 -9.091 15.655 -3.178 1.00 0.89 C ATOM 2098 O ASP A 148 -8.395 15.018 -3.956 1.00 0.88 O ATOM 2099 CB ASP A 148 -11.448 16.448 -3.066 1.00 1.33 C ATOM 2100 CG ASP A 148 -11.266 17.129 -4.414 1.00 1.89 C ATOM 2101 OD1 ASP A 148 -10.399 18.020 -4.522 1.00 2.54 O ATOM 2102 OD2 ASP A 148 -11.992 16.776 -5.372 1.00 2.20 O ATOM 0 H ASP A 148 -10.448 15.359 -0.806 1.00 0.94 H new ATOM 0 HA ASP A 148 -10.829 14.471 -3.602 1.00 1.01 H new ATOM 0 HB2 ASP A 148 -12.484 16.125 -2.961 1.00 1.33 H new ATOM 0 HB3 ASP A 148 -11.256 17.167 -2.269 1.00 1.33 H new ATOM 2107 N SER A 149 -8.654 16.705 -2.496 1.00 0.95 N ATOM 2108 CA SER A 149 -7.327 17.265 -2.701 1.00 1.01 C ATOM 2109 C SER A 149 -6.298 16.539 -1.837 1.00 0.85 C ATOM 2110 O SER A 149 -5.158 16.982 -1.688 1.00 1.07 O ATOM 2111 CB SER A 149 -7.362 18.754 -2.363 1.00 1.27 C ATOM 2112 OG SER A 149 -8.522 19.365 -2.917 1.00 1.53 O ATOM 0 H SER A 149 -9.207 17.190 -1.789 1.00 0.95 H new ATOM 0 HA SER A 149 -7.034 17.136 -3.743 1.00 1.01 H new ATOM 0 HB2 SER A 149 -7.355 18.887 -1.281 1.00 1.27 H new ATOM 0 HB3 SER A 149 -6.467 19.242 -2.750 1.00 1.27 H new ATOM 0 HG SER A 149 -8.944 18.749 -3.552 1.00 1.53 H new ATOM 2118 N THR A 150 -6.713 15.413 -1.278 1.00 0.63 N ATOM 2119 CA THR A 150 -5.851 14.602 -0.444 1.00 0.67 C ATOM 2120 C THR A 150 -5.871 13.146 -0.903 1.00 0.56 C ATOM 2121 O THR A 150 -5.422 12.264 -0.184 1.00 0.64 O ATOM 2122 CB THR A 150 -6.302 14.669 1.030 1.00 0.92 C ATOM 2123 OG1 THR A 150 -7.706 14.373 1.122 1.00 1.15 O ATOM 2124 CG2 THR A 150 -6.025 16.038 1.631 1.00 1.26 C ATOM 0 H THR A 150 -7.655 15.039 -1.391 1.00 0.63 H new ATOM 0 HA THR A 150 -4.838 14.996 -0.532 1.00 0.67 H new ATOM 0 HB THR A 150 -5.732 13.930 1.593 1.00 0.92 H new ATOM 0 HG1 THR A 150 -7.988 14.415 2.060 1.00 1.15 H new ATOM 0 HG21 THR A 150 -6.354 16.053 2.670 1.00 1.26 H new ATOM 0 HG22 THR A 150 -4.956 16.246 1.586 1.00 1.26 H new ATOM 0 HG23 THR A 150 -6.566 16.799 1.068 1.00 1.26 H new ATOM 2132 N ASN A 151 -6.345 12.912 -2.122 1.00 0.49 N ATOM 2133 CA ASN A 151 -6.693 11.556 -2.558 1.00 0.47 C ATOM 2134 C ASN A 151 -5.449 10.714 -2.850 1.00 0.44 C ATOM 2135 O ASN A 151 -4.873 10.788 -3.937 1.00 0.59 O ATOM 2136 CB ASN A 151 -7.605 11.621 -3.789 1.00 0.57 C ATOM 2137 CG ASN A 151 -8.136 10.265 -4.222 1.00 0.69 C ATOM 2138 OD1 ASN A 151 -9.154 9.794 -3.717 1.00 1.21 O ATOM 2139 ND2 ASN A 151 -7.482 9.644 -5.192 1.00 0.79 N ATOM 0 H ASN A 151 -6.498 13.635 -2.825 1.00 0.49 H new ATOM 0 HA ASN A 151 -7.226 11.068 -1.743 1.00 0.47 H new ATOM 0 HB2 ASN A 151 -8.446 12.280 -3.574 1.00 0.57 H new ATOM 0 HB3 ASN A 151 -7.054 12.068 -4.617 1.00 0.57 H new ATOM 0 HD21 ASN A 151 -7.820 8.747 -5.542 1.00 0.79 H new ATOM 0 HD22 ASN A 151 -6.641 10.062 -5.589 1.00 0.79 H new ATOM 2146 N LYS A 152 -5.031 9.927 -1.859 1.00 0.41 N ATOM 2147 CA LYS A 152 -3.877 9.041 -2.003 1.00 0.41 C ATOM 2148 C LYS A 152 -3.853 7.993 -0.892 1.00 0.39 C ATOM 2149 O LYS A 152 -4.193 8.280 0.257 1.00 0.48 O ATOM 2150 CB LYS A 152 -2.568 9.852 -2.028 1.00 0.48 C ATOM 2151 CG LYS A 152 -2.483 10.963 -0.987 1.00 0.67 C ATOM 2152 CD LYS A 152 -2.155 10.439 0.405 1.00 0.85 C ATOM 2153 CE LYS A 152 -2.056 11.570 1.415 1.00 0.82 C ATOM 2154 NZ LYS A 152 -3.316 12.352 1.495 1.00 1.35 N ATOM 0 H LYS A 152 -5.478 9.885 -0.943 1.00 0.41 H new ATOM 0 HA LYS A 152 -3.967 8.516 -2.954 1.00 0.41 H new ATOM 0 HB2 LYS A 152 -1.731 9.169 -1.879 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -2.448 10.292 -3.018 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -1.721 11.681 -1.289 1.00 0.67 H new ATOM 0 HG3 LYS A 152 -3.432 11.499 -0.955 1.00 0.67 H new ATOM 0 HD2 LYS A 152 -2.924 9.734 0.720 1.00 0.85 H new ATOM 0 HD3 LYS A 152 -1.213 9.891 0.376 1.00 0.85 H new ATOM 0 HE2 LYS A 152 -1.820 11.160 2.397 1.00 0.82 H new ATOM 0 HE3 LYS A 152 -1.235 12.232 1.140 1.00 0.82 H new ATOM 0 HZ1 LYS A 152 -3.400 12.779 2.440 1.00 1.35 H new ATOM 0 HZ2 LYS A 152 -3.305 13.103 0.776 1.00 1.35 H new ATOM 0 HZ3 LYS A 152 -4.126 11.723 1.326 1.00 1.35 H new ATOM 2168 N VAL A 153 -3.465 6.779 -1.241 1.00 0.36 N ATOM 2169 CA VAL A 153 -3.472 5.680 -0.289 1.00 0.37 C ATOM 2170 C VAL A 153 -2.249 4.768 -0.454 1.00 0.35 C ATOM 2171 O VAL A 153 -2.162 3.971 -1.391 1.00 0.43 O ATOM 2172 CB VAL A 153 -4.793 4.874 -0.390 1.00 0.43 C ATOM 2173 CG1 VAL A 153 -5.222 4.693 -1.835 1.00 1.18 C ATOM 2174 CG2 VAL A 153 -4.670 3.522 0.285 1.00 1.32 C ATOM 0 H VAL A 153 -3.141 6.528 -2.175 1.00 0.36 H new ATOM 0 HA VAL A 153 -3.412 6.112 0.710 1.00 0.37 H new ATOM 0 HB VAL A 153 -5.558 5.452 0.129 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -6.151 4.124 -1.870 1.00 1.18 H new ATOM 0 HG12 VAL A 153 -5.377 5.670 -2.294 1.00 1.18 H new ATOM 0 HG13 VAL A 153 -4.446 4.155 -2.380 1.00 1.18 H new ATOM 0 HG21 VAL A 153 -5.613 2.984 0.196 1.00 1.32 H new ATOM 0 HG22 VAL A 153 -3.877 2.947 -0.194 1.00 1.32 H new ATOM 0 HG23 VAL A 153 -4.431 3.662 1.339 1.00 1.32 H new ATOM 2184 N THR A 154 -1.274 4.949 0.424 1.00 0.35 N ATOM 2185 CA THR A 154 -0.184 3.996 0.572 1.00 0.38 C ATOM 2186 C THR A 154 -0.619 2.802 1.442 1.00 0.37 C ATOM 2187 O THR A 154 -1.235 2.988 2.498 1.00 0.47 O ATOM 2188 CB THR A 154 1.030 4.700 1.218 1.00 0.52 C ATOM 2189 OG1 THR A 154 0.728 5.073 2.568 1.00 0.94 O ATOM 2190 CG2 THR A 154 1.407 5.951 0.436 1.00 0.96 C ATOM 0 H THR A 154 -1.215 5.753 1.049 1.00 0.35 H new ATOM 0 HA THR A 154 0.091 3.621 -0.414 1.00 0.38 H new ATOM 0 HB THR A 154 1.866 4.001 1.206 1.00 0.52 H new ATOM 0 HG1 THR A 154 1.199 4.476 3.186 1.00 0.94 H new ATOM 0 HG21 THR A 154 2.264 6.431 0.908 1.00 0.96 H new ATOM 0 HG22 THR A 154 1.663 5.677 -0.587 1.00 0.96 H new ATOM 0 HG23 THR A 154 0.564 6.642 0.426 1.00 0.96 H new ATOM 2198 N TYR A 155 -0.340 1.571 1.001 1.00 0.35 N ATOM 2199 CA TYR A 155 -0.690 0.404 1.821 1.00 0.38 C ATOM 2200 C TYR A 155 0.275 -0.778 1.646 1.00 0.38 C ATOM 2201 O TYR A 155 0.637 -1.158 0.528 1.00 0.61 O ATOM 2202 CB TYR A 155 -2.136 -0.039 1.548 1.00 0.41 C ATOM 2203 CG TYR A 155 -2.412 -0.483 0.128 1.00 0.43 C ATOM 2204 CD1 TYR A 155 -2.605 0.450 -0.879 1.00 0.50 C ATOM 2205 CD2 TYR A 155 -2.456 -1.831 -0.208 1.00 0.53 C ATOM 2206 CE1 TYR A 155 -2.842 0.059 -2.178 1.00 0.61 C ATOM 2207 CE2 TYR A 155 -2.689 -2.233 -1.508 1.00 0.63 C ATOM 2208 CZ TYR A 155 -2.958 -1.309 -2.466 1.00 0.65 C ATOM 2209 OH TYR A 155 -3.116 -1.683 -3.784 1.00 0.79 O ATOM 0 H TYR A 155 0.112 1.358 0.112 1.00 0.35 H new ATOM 0 HA TYR A 155 -0.599 0.725 2.859 1.00 0.38 H new ATOM 0 HB2 TYR A 155 -2.383 -0.858 2.223 1.00 0.41 H new ATOM 0 HB3 TYR A 155 -2.805 0.787 1.791 1.00 0.41 H new ATOM 0 HD1 TYR A 155 -2.569 1.503 -0.640 1.00 0.50 H new ATOM 0 HD2 TYR A 155 -2.306 -2.575 0.560 1.00 0.53 H new ATOM 0 HE1 TYR A 155 -2.937 0.794 -2.963 1.00 0.61 H new ATOM 0 HE2 TYR A 155 -2.657 -3.282 -1.763 1.00 0.63 H new ATOM 0 HH TYR A 155 -3.183 -2.659 -3.841 1.00 0.79 H new ATOM 2219 N PHE A 156 0.660 -1.374 2.776 1.00 0.41 N ATOM 2220 CA PHE A 156 1.542 -2.540 2.790 1.00 0.44 C ATOM 2221 C PHE A 156 0.750 -3.843 2.769 1.00 0.46 C ATOM 2222 O PHE A 156 -0.274 -3.977 3.440 1.00 0.46 O ATOM 2223 CB PHE A 156 2.411 -2.549 4.048 1.00 0.44 C ATOM 2224 CG PHE A 156 3.712 -1.819 3.932 1.00 0.45 C ATOM 2225 CD1 PHE A 156 4.823 -2.450 3.396 1.00 0.55 C ATOM 2226 CD2 PHE A 156 3.837 -0.519 4.384 1.00 0.53 C ATOM 2227 CE1 PHE A 156 6.035 -1.795 3.313 1.00 0.62 C ATOM 2228 CE2 PHE A 156 5.044 0.142 4.300 1.00 0.61 C ATOM 2229 CZ PHE A 156 6.144 -0.495 3.764 1.00 0.62 C ATOM 0 H PHE A 156 0.370 -1.063 3.703 1.00 0.41 H new ATOM 0 HA PHE A 156 2.162 -2.470 1.896 1.00 0.44 H new ATOM 0 HB2 PHE A 156 1.840 -2.112 4.867 1.00 0.44 H new ATOM 0 HB3 PHE A 156 2.617 -3.584 4.320 1.00 0.44 H new ATOM 0 HD1 PHE A 156 4.740 -3.466 3.039 1.00 0.55 H new ATOM 0 HD2 PHE A 156 2.980 -0.016 4.807 1.00 0.53 H new ATOM 0 HE1 PHE A 156 6.895 -2.298 2.897 1.00 0.62 H new ATOM 0 HE2 PHE A 156 5.128 1.159 4.654 1.00 0.61 H new ATOM 0 HZ PHE A 156 7.089 0.023 3.697 1.00 0.62 H new ATOM 2239 N MET A 157 1.249 -4.826 2.035 1.00 0.59 N ATOM 2240 CA MET A 157 0.658 -6.154 2.049 1.00 0.68 C ATOM 2241 C MET A 157 1.731 -7.210 1.815 1.00 0.82 C ATOM 2242 O MET A 157 2.760 -6.931 1.202 1.00 1.12 O ATOM 2243 CB MET A 157 -0.481 -6.268 1.027 1.00 0.83 C ATOM 2244 CG MET A 157 -0.050 -6.198 -0.426 1.00 1.47 C ATOM 2245 SD MET A 157 -1.460 -6.137 -1.551 1.00 2.50 S ATOM 2246 CE MET A 157 -2.381 -7.580 -1.022 1.00 3.27 C ATOM 0 H MET A 157 2.060 -4.729 1.424 1.00 0.59 H new ATOM 0 HA MET A 157 0.221 -6.327 3.032 1.00 0.68 H new ATOM 0 HB2 MET A 157 -1.002 -7.211 1.190 1.00 0.83 H new ATOM 0 HB3 MET A 157 -1.199 -5.470 1.216 1.00 0.83 H new ATOM 0 HG2 MET A 157 0.572 -5.316 -0.577 1.00 1.47 H new ATOM 0 HG3 MET A 157 0.565 -7.066 -0.663 1.00 1.47 H new ATOM 0 HE1 MET A 157 -2.985 -7.950 -1.850 1.00 3.27 H new ATOM 0 HE2 MET A 157 -1.687 -8.358 -0.703 1.00 3.27 H new ATOM 0 HE3 MET A 157 -3.032 -7.311 -0.190 1.00 3.27 H new ATOM 2256 N LYS A 158 1.506 -8.399 2.355 1.00 0.75 N ATOM 2257 CA LYS A 158 2.466 -9.487 2.250 1.00 0.96 C ATOM 2258 C LYS A 158 2.078 -10.451 1.132 1.00 1.43 C ATOM 2259 O LYS A 158 1.329 -11.418 1.412 1.00 1.89 O ATOM 2260 CB LYS A 158 2.539 -10.242 3.577 1.00 0.95 C ATOM 2261 CG LYS A 158 3.503 -11.414 3.555 1.00 1.11 C ATOM 2262 CD LYS A 158 3.178 -12.415 4.648 1.00 1.49 C ATOM 2263 CE LYS A 158 1.751 -12.934 4.518 1.00 1.88 C ATOM 2264 NZ LYS A 158 1.478 -13.505 3.170 1.00 2.24 N ATOM 2265 OXT LYS A 158 2.536 -10.246 -0.008 1.00 2.11 O ATOM 0 H LYS A 158 0.660 -8.635 2.874 1.00 0.75 H new ATOM 0 HA LYS A 158 3.442 -9.062 2.016 1.00 0.96 H new ATOM 0 HB2 LYS A 158 2.839 -9.550 4.364 1.00 0.95 H new ATOM 0 HB3 LYS A 158 1.544 -10.605 3.834 1.00 0.95 H new ATOM 0 HG2 LYS A 158 3.459 -11.906 2.583 1.00 1.11 H new ATOM 0 HG3 LYS A 158 4.523 -11.051 3.682 1.00 1.11 H new ATOM 0 HD2 LYS A 158 3.877 -13.250 4.599 1.00 1.49 H new ATOM 0 HD3 LYS A 158 3.309 -11.947 5.624 1.00 1.49 H new ATOM 0 HE2 LYS A 158 1.574 -13.697 5.276 1.00 1.88 H new ATOM 0 HE3 LYS A 158 1.052 -12.121 4.714 1.00 1.88 H new ATOM 0 HZ1 LYS A 158 0.694 -14.185 3.233 1.00 2.24 H new ATOM 0 HZ2 LYS A 158 1.220 -12.740 2.515 1.00 2.24 H new ATOM 0 HZ3 LYS A 158 2.329 -13.989 2.819 1.00 2.24 H new TER 2279 LYS A 158