USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 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 38 LYS NZ :NH3+ -153:sc= 0.943 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.0653 K(o=1,f=-0.63) USER MOD Set 1.3: B 140 GLN : amide:sc= 0.145 K(o=1,f=1.8) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.0495 K(o=1,f=2) USER MOD Set 2.2: B 138 LYS NZ :NH3+ -157:sc= 1.05 (180deg=0) USER MOD Set 2.3: B 141 GLN : amide:sc= -0.0472 K(o=1,f=-1.6) USER MOD Set 3.1: A 44 GLN : amide:sc= 0.59 K(o=1.3,f=0.053) USER MOD Set 3.2: B 144 GLN : amide:sc= 0.718 K(o=1.3,f=-6.3!) USER MOD Set 4.1: A 23 SER OG : rot 180:sc= 0.436 USER MOD Set 4.2: B 127 LYS NZ :NH3+ -159:sc= 0.977 (180deg=1.11) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0813 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 1.01 K(o=1,f=-2.3!) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 3.06 (180deg=2.94) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -49:sc= 0.0494 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.772 (180deg=0.673) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0662 X(o=-0.066,f=-0.066) USER MOD Single : A 31 MET CE :methyl 150:sc= -0.242 (180deg=-0.316) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.519 K(o=-0.52,f=0) USER MOD Single : B 104 SER OG : rot 180:sc= 0 USER MOD Single : B 105 MET CE :methyl -174:sc= 0 (180deg=-0.0603) USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 107 LYS NZ :NH3+ -163:sc= 1.04 (180deg=0.598) USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 110 SER OG : rot -32:sc= 0.573 USER MOD Single : B 111 SER OG : rot -170:sc= 0 USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot 180:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 123 SER OG : rot -67:sc= 0.497 USER MOD Single : B 126 SER OG : rot 180:sc= 0 USER MOD Single : B 128 ASN : amide:sc= 0.0939 K(o=0.094,f=-3.2!) USER MOD Single : B 129 GLN : amide:sc= 0.593 K(o=0.59,f=-4.1!) USER MOD Single : B 131 MET CE :methyl -167:sc= -0.168 (180deg=-0.29) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 GLN : amide:sc= -0.512 K(o=-0.51,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.895 32.253 2.838 1.00 0.00 N ATOM 2 CA GLY A 1 -12.885 31.528 3.668 1.00 0.00 C ATOM 3 C GLY A 1 -12.223 30.730 4.792 1.00 0.00 C ATOM 4 O GLY A 1 -10.999 30.567 4.794 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.128 33.267 2.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.944 32.121 3.238 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.917 31.881 1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.589 32.241 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.461 30.852 3.036 1.00 0.00 H new ATOM 10 N PRO A 2 -13.012 30.224 5.763 1.00 0.00 N ATOM 11 CA PRO A 2 -12.502 29.449 6.903 1.00 0.00 C ATOM 12 C PRO A 2 -11.941 28.082 6.484 1.00 0.00 C ATOM 13 O PRO A 2 -12.409 27.453 5.527 1.00 0.00 O ATOM 14 CB PRO A 2 -13.701 29.300 7.851 1.00 0.00 C ATOM 15 CG PRO A 2 -14.903 29.328 6.907 1.00 0.00 C ATOM 16 CD PRO A 2 -14.467 30.329 5.834 1.00 0.00 C ATOM 0 HA PRO A 2 -11.662 29.956 7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.654 28.368 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.742 30.111 8.578 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.108 28.345 6.484 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.811 29.651 7.417 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.924 30.096 4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -14.774 31.342 6.095 1.00 0.00 H new ATOM 24 N GLY A 3 -10.940 27.592 7.227 1.00 0.00 N ATOM 25 CA GLY A 3 -10.283 26.299 6.972 1.00 0.00 C ATOM 26 C GLY A 3 -11.068 25.069 7.460 1.00 0.00 C ATOM 27 O GLY A 3 -10.806 23.961 6.990 1.00 0.00 O ATOM 0 H GLY A 3 -10.557 28.087 8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.110 26.200 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.305 26.303 7.454 1.00 0.00 H new ATOM 31 N SER A 4 -12.021 25.252 8.380 1.00 0.00 N ATOM 32 CA SER A 4 -12.877 24.189 8.933 1.00 0.00 C ATOM 33 C SER A 4 -14.239 24.110 8.217 1.00 0.00 C ATOM 34 O SER A 4 -14.896 25.135 8.033 1.00 0.00 O ATOM 35 CB SER A 4 -13.122 24.421 10.431 1.00 0.00 C ATOM 36 OG SER A 4 -11.903 24.495 11.161 1.00 0.00 O ATOM 0 H SER A 4 -12.227 26.170 8.774 1.00 0.00 H new ATOM 0 HA SER A 4 -12.348 23.249 8.778 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.684 25.344 10.568 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.735 23.612 10.828 1.00 0.00 H new ATOM 0 HG SER A 4 -12.098 24.645 12.110 1.00 0.00 H new ATOM 42 N MET A 5 -14.751 22.930 7.850 1.00 0.00 N ATOM 43 CA MET A 5 -14.061 21.630 7.782 1.00 0.00 C ATOM 44 C MET A 5 -13.081 21.564 6.592 1.00 0.00 C ATOM 45 O MET A 5 -13.268 22.245 5.578 1.00 0.00 O ATOM 46 CB MET A 5 -15.080 20.477 7.669 1.00 0.00 C ATOM 47 CG MET A 5 -15.966 20.303 8.913 1.00 0.00 C ATOM 48 SD MET A 5 -17.376 21.440 9.062 1.00 0.00 S ATOM 49 CE MET A 5 -18.058 20.848 10.627 1.00 0.00 C ATOM 0 H MET A 5 -15.729 22.849 7.572 1.00 0.00 H new ATOM 0 HA MET A 5 -13.490 21.523 8.705 1.00 0.00 H new ATOM 0 HB2 MET A 5 -15.718 20.653 6.803 1.00 0.00 H new ATOM 0 HB3 MET A 5 -14.542 19.547 7.485 1.00 0.00 H new ATOM 0 HG2 MET A 5 -16.347 19.282 8.921 1.00 0.00 H new ATOM 0 HG3 MET A 5 -15.340 20.417 9.798 1.00 0.00 H new ATOM 0 HE1 MET A 5 -18.940 21.434 10.884 1.00 0.00 H new ATOM 0 HE2 MET A 5 -18.335 19.798 10.529 1.00 0.00 H new ATOM 0 HE3 MET A 5 -17.310 20.954 11.413 1.00 0.00 H new ATOM 59 N ASN A 6 -12.067 20.695 6.685 1.00 0.00 N ATOM 60 CA ASN A 6 -11.107 20.432 5.600 1.00 0.00 C ATOM 61 C ASN A 6 -11.776 19.872 4.323 1.00 0.00 C ATOM 62 O ASN A 6 -11.329 20.174 3.212 1.00 0.00 O ATOM 63 CB ASN A 6 -9.993 19.491 6.113 1.00 0.00 C ATOM 64 CG ASN A 6 -10.452 18.093 6.506 1.00 0.00 C ATOM 65 OD1 ASN A 6 -11.523 17.882 7.061 1.00 0.00 O ATOM 66 ND2 ASN A 6 -9.668 17.080 6.224 1.00 0.00 N ATOM 0 H ASN A 6 -11.886 20.147 7.526 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.669 21.386 5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.231 19.401 5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.517 19.955 6.977 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -9.953 16.131 6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -8.773 17.241 5.762 1.00 0.00 H new ATOM 73 N LYS A 7 -12.863 19.101 4.477 1.00 0.00 N ATOM 74 CA LYS A 7 -13.805 18.690 3.418 1.00 0.00 C ATOM 75 C LYS A 7 -15.203 18.396 4.003 1.00 0.00 C ATOM 76 O LYS A 7 -15.291 18.066 5.193 1.00 0.00 O ATOM 77 CB LYS A 7 -13.242 17.488 2.631 1.00 0.00 C ATOM 78 CG LYS A 7 -13.093 16.189 3.446 1.00 0.00 C ATOM 79 CD LYS A 7 -12.601 14.998 2.602 1.00 0.00 C ATOM 80 CE LYS A 7 -13.522 14.638 1.423 1.00 0.00 C ATOM 81 NZ LYS A 7 -14.864 14.198 1.876 1.00 0.00 N1+ ATOM 0 H LYS A 7 -13.125 18.727 5.389 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.922 19.516 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.894 17.292 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.266 17.761 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.394 16.359 4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.054 15.936 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.608 15.226 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.499 14.126 3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.627 15.503 0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.061 13.846 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.497 14.112 1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.785 13.276 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.252 14.897 2.541 1.00 0.00 H new ATOM 95 N PRO A 8 -16.295 18.473 3.212 1.00 0.00 N ATOM 96 CA PRO A 8 -17.613 17.973 3.625 1.00 0.00 C ATOM 97 C PRO A 8 -17.618 16.440 3.782 1.00 0.00 C ATOM 98 O PRO A 8 -16.688 15.755 3.348 1.00 0.00 O ATOM 99 CB PRO A 8 -18.580 18.440 2.527 1.00 0.00 C ATOM 100 CG PRO A 8 -17.687 18.475 1.285 1.00 0.00 C ATOM 101 CD PRO A 8 -16.360 18.978 1.845 1.00 0.00 C ATOM 0 HA PRO A 8 -17.902 18.356 4.603 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.417 17.752 2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.003 19.420 2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.588 17.490 0.829 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.083 19.142 0.519 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.521 18.614 1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.314 20.067 1.827 1.00 0.00 H new ATOM 109 N THR A 9 -18.689 15.878 4.346 1.00 0.00 N ATOM 110 CA THR A 9 -18.898 14.413 4.461 1.00 0.00 C ATOM 111 C THR A 9 -19.039 13.731 3.087 1.00 0.00 C ATOM 112 O THR A 9 -18.688 12.561 2.918 1.00 0.00 O ATOM 113 CB THR A 9 -20.127 14.121 5.345 1.00 0.00 C ATOM 114 OG1 THR A 9 -19.921 14.633 6.651 1.00 0.00 O ATOM 115 CG2 THR A 9 -20.434 12.635 5.524 1.00 0.00 C ATOM 0 H THR A 9 -19.452 16.425 4.744 1.00 0.00 H new ATOM 0 HA THR A 9 -18.010 13.991 4.931 1.00 0.00 H new ATOM 0 HB THR A 9 -20.959 14.594 4.823 1.00 0.00 H new ATOM 0 HG1 THR A 9 -20.708 14.444 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 9 -21.313 12.519 6.159 1.00 0.00 H new ATOM 0 HG22 THR A 9 -20.627 12.184 4.551 1.00 0.00 H new ATOM 0 HG23 THR A 9 -19.582 12.141 5.990 1.00 0.00 H new ATOM 123 N SER A 10 -19.511 14.476 2.079 1.00 0.00 N ATOM 124 CA SER A 10 -19.654 14.032 0.685 1.00 0.00 C ATOM 125 C SER A 10 -18.325 13.591 0.052 1.00 0.00 C ATOM 126 O SER A 10 -17.260 14.126 0.376 1.00 0.00 O ATOM 127 CB SER A 10 -20.261 15.160 -0.161 1.00 0.00 C ATOM 128 OG SER A 10 -21.484 15.613 0.408 1.00 0.00 O ATOM 0 H SER A 10 -19.815 15.440 2.216 1.00 0.00 H new ATOM 0 HA SER A 10 -20.311 13.163 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.557 15.989 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 10 -20.436 14.806 -1.177 1.00 0.00 H new ATOM 0 HG SER A 10 -21.855 16.333 -0.144 1.00 0.00 H new ATOM 134 N SER A 11 -18.383 12.644 -0.888 1.00 0.00 N ATOM 135 CA SER A 11 -17.241 12.126 -1.659 1.00 0.00 C ATOM 136 C SER A 11 -16.132 11.449 -0.821 1.00 0.00 C ATOM 137 O SER A 11 -14.964 11.423 -1.207 1.00 0.00 O ATOM 138 CB SER A 11 -16.732 13.206 -2.641 1.00 0.00 C ATOM 139 OG SER A 11 -15.998 12.655 -3.724 1.00 0.00 O ATOM 0 H SER A 11 -19.262 12.196 -1.146 1.00 0.00 H new ATOM 0 HA SER A 11 -17.612 11.287 -2.248 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.581 13.767 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.102 13.914 -2.102 1.00 0.00 H new ATOM 0 HG SER A 11 -15.329 12.027 -3.380 1.00 0.00 H new ATOM 145 N ASP A 12 -16.479 10.859 0.334 1.00 0.00 N ATOM 146 CA ASP A 12 -15.612 9.897 1.054 1.00 0.00 C ATOM 147 C ASP A 12 -15.497 8.532 0.338 1.00 0.00 C ATOM 148 O ASP A 12 -14.604 7.739 0.642 1.00 0.00 O ATOM 149 CB ASP A 12 -16.119 9.678 2.496 1.00 0.00 C ATOM 150 CG ASP A 12 -15.803 10.813 3.485 1.00 0.00 C ATOM 151 OD1 ASP A 12 -15.060 11.763 3.132 1.00 0.00 O ATOM 152 OD2 ASP A 12 -16.236 10.722 4.658 1.00 0.00 O1- ATOM 0 H ASP A 12 -17.369 11.032 0.800 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.617 10.342 1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.199 9.535 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -15.686 8.754 2.879 1.00 0.00 H new ATOM 157 N GLY A 13 -16.380 8.255 -0.633 1.00 0.00 N ATOM 158 CA GLY A 13 -16.490 6.968 -1.344 1.00 0.00 C ATOM 159 C GLY A 13 -15.269 6.545 -2.177 1.00 0.00 C ATOM 160 O GLY A 13 -15.182 5.379 -2.569 1.00 0.00 O ATOM 0 H GLY A 13 -17.061 8.942 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -16.691 6.187 -0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.356 7.015 -2.005 1.00 0.00 H new ATOM 164 N TRP A 14 -14.294 7.437 -2.408 1.00 0.00 N ATOM 165 CA TRP A 14 -13.033 7.097 -3.077 1.00 0.00 C ATOM 166 C TRP A 14 -12.260 6.004 -2.330 1.00 0.00 C ATOM 167 O TRP A 14 -11.580 5.197 -2.962 1.00 0.00 O ATOM 168 CB TRP A 14 -12.162 8.357 -3.274 1.00 0.00 C ATOM 169 CG TRP A 14 -11.422 8.883 -2.071 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.838 9.899 -1.283 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.149 8.442 -1.494 1.00 0.00 C ATOM 172 NE1 TRP A 14 -10.922 10.118 -0.270 1.00 0.00 N ATOM 173 CE2 TRP A 14 -9.865 9.241 -0.346 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.203 7.445 -1.823 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.717 9.050 0.445 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.052 7.239 -1.035 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.808 8.036 0.100 1.00 0.00 C ATOM 0 H TRP A 14 -14.360 8.417 -2.134 1.00 0.00 H new ATOM 0 HA TRP A 14 -13.284 6.694 -4.058 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.430 8.142 -4.052 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -12.803 9.154 -3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.751 10.458 -1.424 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.018 10.840 0.444 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.365 6.829 -2.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.537 9.675 1.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.351 6.463 -1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.927 7.869 0.702 1.00 0.00 H new ATOM 188 N LYS A 15 -12.387 5.941 -0.996 1.00 0.00 N ATOM 189 CA LYS A 15 -11.655 5.005 -0.125 1.00 0.00 C ATOM 190 C LYS A 15 -12.034 3.543 -0.381 1.00 0.00 C ATOM 191 O LYS A 15 -11.160 2.681 -0.456 1.00 0.00 O ATOM 192 CB LYS A 15 -11.909 5.376 1.347 1.00 0.00 C ATOM 193 CG LYS A 15 -11.391 6.780 1.697 1.00 0.00 C ATOM 194 CD LYS A 15 -11.740 7.141 3.142 1.00 0.00 C ATOM 195 CE LYS A 15 -11.231 8.551 3.461 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.605 8.959 4.841 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.017 6.554 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.594 5.096 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.978 5.325 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.425 4.642 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.311 6.819 1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.827 7.513 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.819 7.092 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.292 6.419 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.147 8.583 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.645 9.261 2.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.247 9.917 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.641 8.951 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.189 8.294 5.524 1.00 0.00 H new ATOM 210 N ASP A 16 -13.321 3.265 -0.568 1.00 0.00 N ATOM 211 CA ASP A 16 -13.821 1.917 -0.875 1.00 0.00 C ATOM 212 C ASP A 16 -13.370 1.442 -2.266 1.00 0.00 C ATOM 213 O ASP A 16 -12.975 0.289 -2.434 1.00 0.00 O ATOM 214 CB ASP A 16 -15.356 1.884 -0.777 1.00 0.00 C ATOM 215 CG ASP A 16 -15.927 2.199 0.620 1.00 0.00 C ATOM 216 OD1 ASP A 16 -17.134 2.530 0.705 1.00 0.00 O ATOM 217 OD2 ASP A 16 -15.205 2.090 1.643 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.056 3.970 -0.512 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.397 1.234 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.766 2.599 -1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.703 0.896 -1.081 1.00 0.00 H new ATOM 222 N ASP A 17 -13.358 2.338 -3.260 1.00 0.00 N ATOM 223 CA ASP A 17 -12.806 2.058 -4.593 1.00 0.00 C ATOM 224 C ASP A 17 -11.275 1.889 -4.572 1.00 0.00 C ATOM 225 O ASP A 17 -10.730 1.079 -5.330 1.00 0.00 O ATOM 226 CB ASP A 17 -13.202 3.179 -5.575 1.00 0.00 C ATOM 227 CG ASP A 17 -14.716 3.308 -5.841 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.492 2.354 -5.585 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.130 4.369 -6.376 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.732 3.282 -3.163 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.230 1.111 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.835 4.129 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.695 3.006 -6.524 1.00 0.00 H new ATOM 234 N TYR A 18 -10.569 2.592 -3.675 1.00 0.00 N ATOM 235 CA TYR A 18 -9.120 2.439 -3.491 1.00 0.00 C ATOM 236 C TYR A 18 -8.780 1.070 -2.881 1.00 0.00 C ATOM 237 O TYR A 18 -7.932 0.361 -3.412 1.00 0.00 O ATOM 238 CB TYR A 18 -8.557 3.603 -2.659 1.00 0.00 C ATOM 239 CG TYR A 18 -7.107 3.921 -2.964 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.094 3.720 -2.006 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.789 4.453 -4.226 1.00 0.00 C ATOM 242 CE1 TYR A 18 -4.755 4.034 -2.324 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.454 4.755 -4.553 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.434 4.536 -3.605 1.00 0.00 C ATOM 245 OH TYR A 18 -3.145 4.822 -3.928 1.00 0.00 O ATOM 0 H TYR A 18 -10.989 3.285 -3.055 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.640 2.475 -4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.161 4.492 -2.839 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.652 3.361 -1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.341 3.327 -1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.573 4.631 -4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.977 3.891 -1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.212 5.153 -5.527 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.105 5.156 -4.848 1.00 0.00 H new ATOM 255 N LEU A 19 -9.496 0.626 -1.843 1.00 0.00 N ATOM 256 CA LEU A 19 -9.371 -0.738 -1.313 1.00 0.00 C ATOM 257 C LEU A 19 -9.703 -1.788 -2.390 1.00 0.00 C ATOM 258 O LEU A 19 -8.936 -2.737 -2.582 1.00 0.00 O ATOM 259 CB LEU A 19 -10.283 -0.900 -0.077 1.00 0.00 C ATOM 260 CG LEU A 19 -9.554 -0.667 1.256 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.919 0.716 1.409 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.522 -0.875 2.420 1.00 0.00 C ATOM 0 H LEU A 19 -10.178 1.200 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.337 -0.903 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.115 -0.200 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.709 -1.903 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.740 -1.392 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.429 0.786 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.183 0.868 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.692 1.481 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.999 -0.708 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.350 -0.171 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.908 -1.894 2.395 1.00 0.00 H new ATOM 274 N SER A 20 -10.788 -1.593 -3.144 1.00 0.00 N ATOM 275 CA SER A 20 -11.217 -2.517 -4.198 1.00 0.00 C ATOM 276 C SER A 20 -10.137 -2.720 -5.272 1.00 0.00 C ATOM 277 O SER A 20 -9.857 -3.864 -5.654 1.00 0.00 O ATOM 278 CB SER A 20 -12.521 -2.005 -4.828 1.00 0.00 C ATOM 279 OG SER A 20 -13.014 -2.895 -5.812 1.00 0.00 O ATOM 0 H SER A 20 -11.399 -0.783 -3.039 1.00 0.00 H new ATOM 0 HA SER A 20 -11.389 -3.491 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.272 -1.871 -4.050 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.348 -1.027 -5.276 1.00 0.00 H new ATOM 0 HG SER A 20 -13.845 -2.538 -6.190 1.00 0.00 H new ATOM 285 N ARG A 21 -9.474 -1.641 -5.721 1.00 0.00 N ATOM 286 CA ARG A 21 -8.411 -1.701 -6.743 1.00 0.00 C ATOM 287 C ARG A 21 -7.050 -2.160 -6.204 1.00 0.00 C ATOM 288 O ARG A 21 -6.365 -2.923 -6.886 1.00 0.00 O ATOM 289 CB ARG A 21 -8.350 -0.368 -7.523 1.00 0.00 C ATOM 290 CG ARG A 21 -7.552 0.762 -6.858 1.00 0.00 C ATOM 291 CD ARG A 21 -7.904 2.159 -7.384 1.00 0.00 C ATOM 292 NE ARG A 21 -7.736 2.277 -8.852 1.00 0.00 N ATOM 293 CZ ARG A 21 -8.687 2.340 -9.766 1.00 0.00 C ATOM 294 NH1 ARG A 21 -9.954 2.282 -9.456 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -8.385 2.465 -11.026 1.00 0.00 N ATOM 0 H ARG A 21 -9.660 -0.696 -5.384 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.680 -2.489 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.918 -0.563 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.369 -0.019 -7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.727 0.734 -5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.488 0.583 -7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.936 2.393 -7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.274 2.898 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.776 2.314 -9.195 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.236 2.185 -8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.661 2.334 -10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.408 2.515 -11.314 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.126 2.513 -11.726 1.00 0.00 H new ATOM 309 N LEU A 22 -6.685 -1.787 -4.973 1.00 0.00 N ATOM 310 CA LEU A 22 -5.427 -2.199 -4.316 1.00 0.00 C ATOM 311 C LEU A 22 -5.311 -3.729 -4.164 1.00 0.00 C ATOM 312 O LEU A 22 -4.230 -4.284 -4.374 1.00 0.00 O ATOM 313 CB LEU A 22 -5.309 -1.520 -2.938 1.00 0.00 C ATOM 314 CG LEU A 22 -4.469 -0.229 -2.888 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.658 0.779 -4.028 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.780 0.480 -1.566 1.00 0.00 C ATOM 0 H LEU A 22 -7.261 -1.180 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.607 -1.879 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.313 -1.290 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.879 -2.236 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.437 -0.564 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.007 1.638 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.406 0.306 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.696 1.110 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.199 1.400 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.843 0.718 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.520 -0.173 -0.733 1.00 0.00 H new ATOM 328 N SER A 23 -6.417 -4.419 -3.863 1.00 0.00 N ATOM 329 CA SER A 23 -6.448 -5.887 -3.729 1.00 0.00 C ATOM 330 C SER A 23 -6.110 -6.638 -5.036 1.00 0.00 C ATOM 331 O SER A 23 -5.696 -7.801 -4.995 1.00 0.00 O ATOM 332 CB SER A 23 -7.821 -6.317 -3.198 1.00 0.00 C ATOM 333 OG SER A 23 -7.810 -7.679 -2.791 1.00 0.00 O ATOM 0 H SER A 23 -7.322 -3.976 -3.704 1.00 0.00 H new ATOM 0 HA SER A 23 -5.664 -6.161 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.103 -5.685 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.575 -6.172 -3.972 1.00 0.00 H new ATOM 0 HG SER A 23 -8.697 -7.927 -2.455 1.00 0.00 H new ATOM 339 N ARG A 24 -6.249 -5.994 -6.208 1.00 0.00 N ATOM 340 CA ARG A 24 -5.982 -6.597 -7.533 1.00 0.00 C ATOM 341 C ARG A 24 -4.490 -6.704 -7.883 1.00 0.00 C ATOM 342 O ARG A 24 -4.132 -7.517 -8.740 1.00 0.00 O ATOM 343 CB ARG A 24 -6.722 -5.818 -8.643 1.00 0.00 C ATOM 344 CG ARG A 24 -8.227 -5.603 -8.417 1.00 0.00 C ATOM 345 CD ARG A 24 -9.031 -6.887 -8.152 1.00 0.00 C ATOM 346 NE ARG A 24 -8.964 -7.839 -9.278 1.00 0.00 N ATOM 347 CZ ARG A 24 -9.692 -7.827 -10.381 1.00 0.00 C ATOM 348 NH1 ARG A 24 -10.605 -6.923 -10.601 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -9.513 -8.734 -11.302 1.00 0.00 N ATOM 0 H ARG A 24 -6.555 -5.023 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.360 -7.618 -7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.247 -4.843 -8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.587 -6.349 -9.585 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.360 -4.927 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.644 -5.105 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.653 -7.369 -7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.072 -6.627 -7.962 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.279 -8.590 -9.196 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.777 -6.193 -9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.148 -6.946 -11.464 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.807 -9.459 -11.173 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.079 -8.718 -12.150 1.00 0.00 H new ATOM 363 N LEU A 25 -3.622 -5.898 -7.261 1.00 0.00 N ATOM 364 CA LEU A 25 -2.180 -5.876 -7.538 1.00 0.00 C ATOM 365 C LEU A 25 -1.459 -7.124 -6.991 1.00 0.00 C ATOM 366 O LEU A 25 -1.803 -7.651 -5.928 1.00 0.00 O ATOM 367 CB LEU A 25 -1.538 -4.579 -6.994 1.00 0.00 C ATOM 368 CG LEU A 25 -1.766 -3.268 -7.773 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.477 -3.396 -9.269 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.178 -2.710 -7.624 1.00 0.00 C ATOM 0 H LEU A 25 -3.905 -5.233 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.060 -5.893 -8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.902 -4.429 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.463 -4.743 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.053 -2.580 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.657 -2.438 -9.758 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.437 -3.688 -9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.131 -4.153 -9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.267 -1.788 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.898 -3.439 -7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.379 -2.504 -6.573 1.00 0.00 H new ATOM 382 N SER A 26 -0.419 -7.562 -7.710 1.00 0.00 N ATOM 383 CA SER A 26 0.538 -8.588 -7.266 1.00 0.00 C ATOM 384 C SER A 26 1.376 -8.105 -6.065 1.00 0.00 C ATOM 385 O SER A 26 1.456 -6.900 -5.803 1.00 0.00 O ATOM 386 CB SER A 26 1.426 -8.993 -8.449 1.00 0.00 C ATOM 387 OG SER A 26 2.325 -10.031 -8.095 1.00 0.00 O ATOM 0 H SER A 26 -0.212 -7.204 -8.643 1.00 0.00 H new ATOM 0 HA SER A 26 -0.015 -9.462 -6.921 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.800 -9.320 -9.279 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.988 -8.126 -8.796 1.00 0.00 H new ATOM 0 HG SER A 26 2.875 -10.267 -8.871 1.00 0.00 H new ATOM 393 N LYS A 27 2.032 -9.025 -5.343 1.00 0.00 N ATOM 394 CA LYS A 27 2.838 -8.774 -4.126 1.00 0.00 C ATOM 395 C LYS A 27 3.915 -7.704 -4.334 1.00 0.00 C ATOM 396 O LYS A 27 4.121 -6.838 -3.491 1.00 0.00 O ATOM 397 CB LYS A 27 3.482 -10.102 -3.686 1.00 0.00 C ATOM 398 CG LYS A 27 3.987 -10.126 -2.236 1.00 0.00 C ATOM 399 CD LYS A 27 2.872 -10.075 -1.174 1.00 0.00 C ATOM 400 CE LYS A 27 3.496 -10.173 0.228 1.00 0.00 C ATOM 401 NZ LYS A 27 2.476 -10.107 1.307 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.018 -10.012 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 27 2.173 -8.390 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.754 -10.903 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.318 -10.321 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.576 -11.030 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.657 -9.280 -2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.307 -9.148 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.169 -10.894 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.050 -11.108 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.214 -9.364 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.949 -9.972 2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.833 -9.309 1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.932 -10.993 1.325 1.00 0.00 H new ATOM 415 N ASN A 28 4.575 -7.743 -5.487 1.00 0.00 N ATOM 416 CA ASN A 28 5.585 -6.761 -5.889 1.00 0.00 C ATOM 417 C ASN A 28 4.963 -5.396 -6.257 1.00 0.00 C ATOM 418 O ASN A 28 5.513 -4.346 -5.918 1.00 0.00 O ATOM 419 CB ASN A 28 6.360 -7.383 -7.062 1.00 0.00 C ATOM 420 CG ASN A 28 7.278 -8.514 -6.622 1.00 0.00 C ATOM 421 OD1 ASN A 28 6.878 -9.661 -6.495 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.535 -8.221 -6.365 1.00 0.00 N ATOM 0 H ASN A 28 4.422 -8.471 -6.184 1.00 0.00 H new ATOM 0 HA ASN A 28 6.257 -6.543 -5.059 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.653 -7.760 -7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.951 -6.610 -7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.177 -8.952 -6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.867 -7.263 -6.472 1.00 0.00 H new ATOM 429 N GLN A 29 3.809 -5.398 -6.925 1.00 0.00 N ATOM 430 CA GLN A 29 3.139 -4.186 -7.412 1.00 0.00 C ATOM 431 C GLN A 29 2.439 -3.389 -6.298 1.00 0.00 C ATOM 432 O GLN A 29 2.516 -2.159 -6.289 1.00 0.00 O ATOM 433 CB GLN A 29 2.157 -4.547 -8.538 1.00 0.00 C ATOM 434 CG GLN A 29 2.812 -5.227 -9.753 1.00 0.00 C ATOM 435 CD GLN A 29 3.930 -4.394 -10.384 1.00 0.00 C ATOM 436 OE1 GLN A 29 5.090 -4.785 -10.427 1.00 0.00 O ATOM 437 NE2 GLN A 29 3.640 -3.200 -10.865 1.00 0.00 N ATOM 0 H GLN A 29 3.303 -6.255 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 29 3.913 -3.527 -7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.389 -5.208 -8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.654 -3.639 -8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.216 -6.192 -9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.048 -5.426 -10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.679 -2.859 -10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.377 -2.618 -11.265 1.00 0.00 H new ATOM 446 N LEU A 30 1.817 -4.056 -5.315 1.00 0.00 N ATOM 447 CA LEU A 30 1.271 -3.383 -4.125 1.00 0.00 C ATOM 448 C LEU A 30 2.371 -2.707 -3.290 1.00 0.00 C ATOM 449 O LEU A 30 2.141 -1.644 -2.712 1.00 0.00 O ATOM 450 CB LEU A 30 0.392 -4.347 -3.292 1.00 0.00 C ATOM 451 CG LEU A 30 1.081 -5.574 -2.657 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.714 -5.310 -1.282 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.060 -6.701 -2.472 1.00 0.00 C ATOM 0 H LEU A 30 1.679 -5.067 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 30 0.620 -2.579 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.073 -3.771 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.412 -4.708 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 30 1.882 -5.838 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.175 -6.226 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.473 -4.533 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.944 -4.983 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.550 -7.566 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.744 -6.360 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.353 -6.980 -3.441 1.00 0.00 H new ATOM 465 N MET A 31 3.578 -3.282 -3.260 1.00 0.00 N ATOM 466 CA MET A 31 4.726 -2.671 -2.586 1.00 0.00 C ATOM 467 C MET A 31 5.303 -1.497 -3.376 1.00 0.00 C ATOM 468 O MET A 31 5.615 -0.472 -2.773 1.00 0.00 O ATOM 469 CB MET A 31 5.810 -3.711 -2.286 1.00 0.00 C ATOM 470 CG MET A 31 5.353 -4.660 -1.178 1.00 0.00 C ATOM 471 SD MET A 31 6.676 -5.674 -0.466 1.00 0.00 S ATOM 472 CE MET A 31 6.786 -6.976 -1.713 1.00 0.00 C ATOM 0 H MET A 31 3.785 -4.179 -3.700 1.00 0.00 H new ATOM 0 HA MET A 31 4.361 -2.274 -1.639 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.036 -4.279 -3.188 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.730 -3.209 -1.986 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.893 -4.075 -0.382 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.581 -5.319 -1.576 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.808 -7.353 -1.756 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.109 -7.789 -1.451 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.507 -6.572 -2.686 1.00 0.00 H new ATOM 482 N ALA A 32 5.377 -1.589 -4.706 1.00 0.00 N ATOM 483 CA ALA A 32 5.760 -0.457 -5.560 1.00 0.00 C ATOM 484 C ALA A 32 4.787 0.731 -5.407 1.00 0.00 C ATOM 485 O ALA A 32 5.219 1.881 -5.306 1.00 0.00 O ATOM 486 CB ALA A 32 5.844 -0.950 -7.009 1.00 0.00 C ATOM 0 H ALA A 32 5.174 -2.445 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 32 6.735 -0.081 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.128 -0.122 -7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.591 -1.741 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.873 -1.338 -7.318 1.00 0.00 H new ATOM 492 N LEU A 33 3.477 0.457 -5.321 1.00 0.00 N ATOM 493 CA LEU A 33 2.427 1.449 -5.061 1.00 0.00 C ATOM 494 C LEU A 33 2.621 2.118 -3.689 1.00 0.00 C ATOM 495 O LEU A 33 2.702 3.346 -3.612 1.00 0.00 O ATOM 496 CB LEU A 33 1.060 0.747 -5.234 1.00 0.00 C ATOM 497 CG LEU A 33 -0.233 1.576 -5.070 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.564 1.929 -3.618 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.214 2.846 -5.919 1.00 0.00 C ATOM 0 H LEU A 33 3.110 -0.488 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 33 2.477 2.272 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.042 0.302 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.018 -0.073 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.025 0.919 -5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.485 2.511 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.693 1.013 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.250 2.515 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.143 3.396 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.629 3.470 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.114 2.579 -6.971 1.00 0.00 H new ATOM 511 N ALA A 34 2.750 1.333 -2.617 1.00 0.00 N ATOM 512 CA ALA A 34 2.958 1.855 -1.265 1.00 0.00 C ATOM 513 C ALA A 34 4.271 2.648 -1.125 1.00 0.00 C ATOM 514 O ALA A 34 4.289 3.694 -0.477 1.00 0.00 O ATOM 515 CB ALA A 34 2.882 0.684 -0.284 1.00 0.00 C ATOM 0 H ALA A 34 2.713 0.315 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 34 2.173 2.576 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.034 1.050 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.902 0.212 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.655 -0.045 -0.527 1.00 0.00 H new ATOM 521 N LEU A 35 5.356 2.217 -1.778 1.00 0.00 N ATOM 522 CA LEU A 35 6.646 2.919 -1.805 1.00 0.00 C ATOM 523 C LEU A 35 6.540 4.268 -2.551 1.00 0.00 C ATOM 524 O LEU A 35 7.007 5.293 -2.046 1.00 0.00 O ATOM 525 CB LEU A 35 7.689 1.961 -2.421 1.00 0.00 C ATOM 526 CG LEU A 35 9.188 2.301 -2.283 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.644 3.540 -3.056 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.592 2.471 -0.821 1.00 0.00 C ATOM 0 H LEU A 35 5.363 1.350 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 35 6.963 3.182 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.533 0.976 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.468 1.873 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 35 9.689 1.441 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.711 3.696 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.454 3.396 -4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.093 4.412 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.654 2.710 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.013 3.280 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.398 1.545 -0.280 1.00 0.00 H new ATOM 540 N LYS A 36 5.859 4.303 -3.707 1.00 0.00 N ATOM 541 CA LYS A 36 5.565 5.525 -4.481 1.00 0.00 C ATOM 542 C LYS A 36 4.743 6.534 -3.671 1.00 0.00 C ATOM 543 O LYS A 36 5.009 7.737 -3.735 1.00 0.00 O ATOM 544 CB LYS A 36 4.862 5.126 -5.795 1.00 0.00 C ATOM 545 CG LYS A 36 4.582 6.323 -6.724 1.00 0.00 C ATOM 546 CD LYS A 36 3.998 5.899 -8.081 1.00 0.00 C ATOM 547 CE LYS A 36 2.628 5.224 -7.936 1.00 0.00 C ATOM 548 NZ LYS A 36 2.042 4.891 -9.259 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.486 3.460 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 36 6.501 6.031 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.480 4.401 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.921 4.630 -5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.888 7.005 -6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.508 6.874 -6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.904 6.774 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.688 5.214 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.730 4.315 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.952 5.884 -7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.116 4.436 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.922 5.762 -9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.676 4.241 -9.766 1.00 0.00 H new ATOM 562 N LEU A 37 3.777 6.072 -2.878 1.00 0.00 N ATOM 563 CA LEU A 37 3.041 6.902 -1.914 1.00 0.00 C ATOM 564 C LEU A 37 3.944 7.392 -0.767 1.00 0.00 C ATOM 565 O LEU A 37 3.862 8.564 -0.391 1.00 0.00 O ATOM 566 CB LEU A 37 1.852 6.096 -1.351 1.00 0.00 C ATOM 567 CG LEU A 37 0.497 6.336 -2.042 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.526 6.156 -3.554 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.524 5.355 -1.458 1.00 0.00 C ATOM 0 H LEU A 37 3.476 5.097 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 37 2.677 7.787 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.091 5.035 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.746 6.331 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 37 0.232 7.377 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.467 6.343 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.236 6.859 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.830 5.137 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.492 5.510 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.190 4.333 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.618 5.523 -0.385 1.00 0.00 H new ATOM 581 N LYS A 38 4.812 6.523 -0.231 1.00 0.00 N ATOM 582 CA LYS A 38 5.662 6.832 0.925 1.00 0.00 C ATOM 583 C LYS A 38 6.685 7.926 0.625 1.00 0.00 C ATOM 584 O LYS A 38 6.762 8.898 1.373 1.00 0.00 O ATOM 585 CB LYS A 38 6.324 5.552 1.469 1.00 0.00 C ATOM 586 CG LYS A 38 7.000 5.738 2.841 1.00 0.00 C ATOM 587 CD LYS A 38 6.009 6.178 3.931 1.00 0.00 C ATOM 588 CE LYS A 38 6.648 6.153 5.322 1.00 0.00 C ATOM 589 NZ LYS A 38 5.675 6.595 6.352 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.944 5.578 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 38 5.018 7.235 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.569 4.769 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.068 5.205 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.472 4.802 3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.793 6.481 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.652 7.184 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.139 5.521 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.995 5.145 5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.523 6.803 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.186 7.006 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.039 7.310 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.117 5.779 6.675 1.00 0.00 H new ATOM 603 N GLN A 39 7.410 7.831 -0.489 1.00 0.00 N ATOM 604 CA GLN A 39 8.399 8.850 -0.884 1.00 0.00 C ATOM 605 C GLN A 39 7.741 10.225 -1.134 1.00 0.00 C ATOM 606 O GLN A 39 8.336 11.256 -0.818 1.00 0.00 O ATOM 607 CB GLN A 39 9.219 8.362 -2.091 1.00 0.00 C ATOM 608 CG GLN A 39 8.426 8.234 -3.400 1.00 0.00 C ATOM 609 CD GLN A 39 9.297 7.783 -4.565 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.772 8.572 -5.372 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.544 6.497 -4.703 1.00 0.00 N ATOM 0 H GLN A 39 7.334 7.053 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 39 9.090 8.995 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.048 9.051 -2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.653 7.392 -1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.613 7.522 -3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.970 9.194 -3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.155 5.829 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.125 6.169 -5.475 1.00 0.00 H new ATOM 620 N GLN A 40 6.497 10.255 -1.632 1.00 0.00 N ATOM 621 CA GLN A 40 5.728 11.491 -1.793 1.00 0.00 C ATOM 622 C GLN A 40 5.372 12.123 -0.439 1.00 0.00 C ATOM 623 O GLN A 40 5.670 13.299 -0.225 1.00 0.00 O ATOM 624 CB GLN A 40 4.468 11.240 -2.630 1.00 0.00 C ATOM 625 CG GLN A 40 4.795 11.165 -4.129 1.00 0.00 C ATOM 626 CD GLN A 40 3.557 10.814 -4.950 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.917 11.656 -5.564 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.153 9.561 -4.968 1.00 0.00 N ATOM 0 H GLN A 40 5.997 9.419 -1.934 1.00 0.00 H new ATOM 0 HA GLN A 40 6.359 12.203 -2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.998 10.310 -2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.747 12.038 -2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.197 12.121 -4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.570 10.417 -4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.678 8.849 -4.460 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.316 9.303 -5.490 1.00 0.00 H new ATOM 637 N GLN A 41 4.784 11.373 0.501 1.00 0.00 N ATOM 638 CA GLN A 41 4.398 11.928 1.808 1.00 0.00 C ATOM 639 C GLN A 41 5.594 12.341 2.695 1.00 0.00 C ATOM 640 O GLN A 41 5.426 13.162 3.600 1.00 0.00 O ATOM 641 CB GLN A 41 3.424 11.002 2.556 1.00 0.00 C ATOM 642 CG GLN A 41 4.017 9.672 3.046 1.00 0.00 C ATOM 643 CD GLN A 41 3.308 9.088 4.271 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.939 8.629 5.220 1.00 0.00 O ATOM 645 NE2 GLN A 41 1.993 9.087 4.306 1.00 0.00 N ATOM 0 H GLN A 41 4.565 10.384 0.384 1.00 0.00 H new ATOM 0 HA GLN A 41 3.873 12.856 1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.027 11.541 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.582 10.784 1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.975 8.946 2.234 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.070 9.822 3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.462 9.466 3.522 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.505 8.707 5.117 1.00 0.00 H new ATOM 654 N LEU A 42 6.794 11.802 2.430 1.00 0.00 N ATOM 655 CA LEU A 42 8.062 12.212 3.051 1.00 0.00 C ATOM 656 C LEU A 42 8.606 13.533 2.471 1.00 0.00 C ATOM 657 O LEU A 42 9.126 14.365 3.221 1.00 0.00 O ATOM 658 CB LEU A 42 9.089 11.073 2.892 1.00 0.00 C ATOM 659 CG LEU A 42 9.220 10.155 4.120 1.00 0.00 C ATOM 660 CD1 LEU A 42 7.910 9.522 4.599 1.00 0.00 C ATOM 661 CD2 LEU A 42 10.187 9.015 3.804 1.00 0.00 C ATOM 0 H LEU A 42 6.912 11.045 1.756 1.00 0.00 H new ATOM 0 HA LEU A 42 7.878 12.401 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.810 10.467 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.064 11.508 2.674 1.00 0.00 H new ATOM 0 HG LEU A 42 9.575 10.805 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.106 8.893 5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.205 10.307 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.486 8.914 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.280 8.365 4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.808 8.440 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.165 9.426 3.553 1.00 0.00 H new ATOM 673 N GLU A 43 8.505 13.747 1.153 1.00 0.00 N ATOM 674 CA GLU A 43 8.946 14.989 0.488 1.00 0.00 C ATOM 675 C GLU A 43 7.970 16.165 0.705 1.00 0.00 C ATOM 676 O GLU A 43 8.397 17.311 0.868 1.00 0.00 O ATOM 677 CB GLU A 43 9.134 14.741 -1.021 1.00 0.00 C ATOM 678 CG GLU A 43 10.397 13.914 -1.331 1.00 0.00 C ATOM 679 CD GLU A 43 10.572 13.599 -2.832 1.00 0.00 C ATOM 680 OE1 GLU A 43 11.457 12.774 -3.166 1.00 0.00 O ATOM 681 OE2 GLU A 43 9.863 14.176 -3.696 1.00 0.00 O1- ATOM 0 H GLU A 43 8.112 13.060 0.509 1.00 0.00 H new ATOM 0 HA GLU A 43 9.895 15.271 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.259 14.222 -1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.195 15.698 -1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.273 14.457 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.355 12.978 -0.774 1.00 0.00 H new ATOM 688 N GLN A 44 6.663 15.888 0.712 1.00 0.00 N ATOM 689 CA GLN A 44 5.590 16.849 0.980 1.00 0.00 C ATOM 690 C GLN A 44 5.472 17.232 2.473 1.00 0.00 C ATOM 691 O GLN A 44 6.003 16.556 3.364 1.00 0.00 O ATOM 692 CB GLN A 44 4.260 16.244 0.502 1.00 0.00 C ATOM 693 CG GLN A 44 4.118 16.127 -1.025 1.00 0.00 C ATOM 694 CD GLN A 44 2.760 15.577 -1.475 1.00 0.00 C ATOM 695 OE1 GLN A 44 2.379 15.702 -2.632 1.00 0.00 O ATOM 696 NE2 GLN A 44 1.949 14.989 -0.620 1.00 0.00 N ATOM 0 H GLN A 44 6.310 14.950 0.523 1.00 0.00 H new ATOM 0 HA GLN A 44 5.829 17.765 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.150 15.252 0.940 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.441 16.854 0.884 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.269 17.110 -1.472 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.907 15.479 -1.406 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.233 14.868 0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.036 14.655 -0.930 1.00 0.00 H new ATOM 705 N GLY A 45 4.721 18.309 2.749 1.00 0.00 N ATOM 706 CA GLY A 45 4.427 18.825 4.101 1.00 0.00 C ATOM 707 C GLY A 45 5.634 19.451 4.805 1.00 0.00 C ATOM 708 O GLY A 45 5.905 19.065 5.965 1.00 0.00 O ATOM 709 OXT GLY A 45 6.279 20.346 4.212 1.00 0.00 O1- ATOM 0 H GLY A 45 4.285 18.866 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.634 19.570 4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.044 18.010 4.715 1.00 0.00 H new TER 713 GLY A 45 ATOM 714 N GLY B 101 29.357 3.338 13.926 1.00 0.00 N ATOM 715 CA GLY B 101 28.097 3.295 13.152 1.00 0.00 C ATOM 716 C GLY B 101 26.945 3.970 13.892 1.00 0.00 C ATOM 717 O GLY B 101 27.066 4.249 15.091 1.00 0.00 O ATOM 0 HA2 GLY B 101 28.246 3.785 12.190 1.00 0.00 H new ATOM 0 HA3 GLY B 101 27.835 2.258 12.944 1.00 0.00 H new ATOM 723 N PRO B 102 25.809 4.246 13.214 1.00 0.00 N ATOM 724 CA PRO B 102 24.651 4.938 13.801 1.00 0.00 C ATOM 725 C PRO B 102 23.823 4.078 14.783 1.00 0.00 C ATOM 726 O PRO B 102 23.051 4.612 15.583 1.00 0.00 O ATOM 727 CB PRO B 102 23.801 5.359 12.600 1.00 0.00 C ATOM 728 CG PRO B 102 24.097 4.280 11.556 1.00 0.00 C ATOM 729 CD PRO B 102 25.566 3.951 11.803 1.00 0.00 C ATOM 0 HA PRO B 102 24.989 5.775 14.412 1.00 0.00 H new ATOM 0 HB2 PRO B 102 22.741 5.394 12.851 1.00 0.00 H new ATOM 0 HB3 PRO B 102 24.077 6.351 12.241 1.00 0.00 H new ATOM 0 HG2 PRO B 102 23.460 3.405 11.689 1.00 0.00 H new ATOM 0 HG3 PRO B 102 23.931 4.644 10.542 1.00 0.00 H new ATOM 0 HD2 PRO B 102 25.775 2.905 11.581 1.00 0.00 H new ATOM 0 HD3 PRO B 102 26.214 4.549 11.161 1.00 0.00 H new ATOM 737 N GLY B 103 23.978 2.752 14.734 1.00 0.00 N ATOM 738 CA GLY B 103 23.273 1.779 15.569 1.00 0.00 C ATOM 739 C GLY B 103 23.654 0.333 15.219 1.00 0.00 C ATOM 740 O GLY B 103 24.774 0.072 14.771 1.00 0.00 O ATOM 0 H GLY B 103 24.627 2.310 14.083 1.00 0.00 H new ATOM 0 HA2 GLY B 103 23.501 1.970 16.618 1.00 0.00 H new ATOM 0 HA3 GLY B 103 22.198 1.910 15.448 1.00 0.00 H new ATOM 744 N SER B 104 22.714 -0.607 15.382 1.00 0.00 N ATOM 745 CA SER B 104 22.888 -2.020 14.993 1.00 0.00 C ATOM 746 C SER B 104 23.011 -2.218 13.471 1.00 0.00 C ATOM 747 O SER B 104 23.642 -3.177 13.020 1.00 0.00 O ATOM 748 CB SER B 104 21.702 -2.850 15.504 1.00 0.00 C ATOM 749 OG SER B 104 21.527 -2.693 16.905 1.00 0.00 O ATOM 0 H SER B 104 21.801 -0.410 15.791 1.00 0.00 H new ATOM 0 HA SER B 104 23.823 -2.352 15.445 1.00 0.00 H new ATOM 0 HB2 SER B 104 20.793 -2.546 14.986 1.00 0.00 H new ATOM 0 HB3 SER B 104 21.865 -3.902 15.271 1.00 0.00 H new ATOM 0 HG SER B 104 20.764 -3.232 17.202 1.00 0.00 H new ATOM 755 N MET B 105 22.428 -1.316 12.673 1.00 0.00 N ATOM 756 CA MET B 105 22.543 -1.302 11.207 1.00 0.00 C ATOM 757 C MET B 105 23.879 -0.704 10.742 1.00 0.00 C ATOM 758 O MET B 105 24.332 0.320 11.263 1.00 0.00 O ATOM 759 CB MET B 105 21.371 -0.531 10.576 1.00 0.00 C ATOM 760 CG MET B 105 19.999 -1.154 10.892 1.00 0.00 C ATOM 761 SD MET B 105 19.737 -2.851 10.287 1.00 0.00 S ATOM 762 CE MET B 105 19.711 -2.564 8.498 1.00 0.00 C ATOM 0 H MET B 105 21.850 -0.558 13.035 1.00 0.00 H new ATOM 0 HA MET B 105 22.508 -2.339 10.873 1.00 0.00 H new ATOM 0 HB2 MET B 105 21.387 0.499 10.933 1.00 0.00 H new ATOM 0 HB3 MET B 105 21.507 -0.496 9.495 1.00 0.00 H new ATOM 0 HG2 MET B 105 19.860 -1.149 11.973 1.00 0.00 H new ATOM 0 HG3 MET B 105 19.225 -0.514 10.468 1.00 0.00 H new ATOM 0 HE1 MET B 105 19.453 -3.490 7.985 1.00 0.00 H new ATOM 0 HE2 MET B 105 18.970 -1.800 8.263 1.00 0.00 H new ATOM 0 HE3 MET B 105 20.695 -2.229 8.169 1.00 0.00 H new ATOM 772 N ASN B 106 24.501 -1.314 9.725 1.00 0.00 N ATOM 773 CA ASN B 106 25.777 -0.867 9.142 1.00 0.00 C ATOM 774 C ASN B 106 25.629 0.253 8.086 1.00 0.00 C ATOM 775 O ASN B 106 26.609 0.935 7.773 1.00 0.00 O ATOM 776 CB ASN B 106 26.494 -2.091 8.536 1.00 0.00 C ATOM 777 CG ASN B 106 26.752 -3.199 9.545 1.00 0.00 C ATOM 778 OD1 ASN B 106 26.051 -4.202 9.597 1.00 0.00 O ATOM 779 ND2 ASN B 106 27.757 -3.058 10.385 1.00 0.00 N ATOM 0 H ASN B 106 24.126 -2.148 9.274 1.00 0.00 H new ATOM 0 HA ASN B 106 26.366 -0.426 9.946 1.00 0.00 H new ATOM 0 HB2 ASN B 106 25.892 -2.487 7.718 1.00 0.00 H new ATOM 0 HB3 ASN B 106 27.444 -1.771 8.107 1.00 0.00 H new ATOM 0 HD21 ASN B 106 27.950 -3.783 11.076 1.00 0.00 H new ATOM 0 HD22 ASN B 106 28.343 -2.224 10.344 1.00 0.00 H new ATOM 786 N LYS B 107 24.424 0.437 7.524 1.00 0.00 N ATOM 787 CA LYS B 107 24.133 1.440 6.477 1.00 0.00 C ATOM 788 C LYS B 107 24.213 2.891 7.004 1.00 0.00 C ATOM 789 O LYS B 107 23.857 3.134 8.167 1.00 0.00 O ATOM 790 CB LYS B 107 22.747 1.172 5.857 1.00 0.00 C ATOM 791 CG LYS B 107 22.682 -0.168 5.105 1.00 0.00 C ATOM 792 CD LYS B 107 21.374 -0.349 4.317 1.00 0.00 C ATOM 793 CE LYS B 107 20.147 -0.318 5.235 1.00 0.00 C ATOM 794 NZ LYS B 107 18.898 -0.622 4.499 1.00 0.00 N1+ ATOM 0 H LYS B 107 23.607 -0.115 7.786 1.00 0.00 H new ATOM 0 HA LYS B 107 24.902 1.338 5.712 1.00 0.00 H new ATOM 0 HB2 LYS B 107 21.994 1.179 6.645 1.00 0.00 H new ATOM 0 HB3 LYS B 107 22.498 1.981 5.171 1.00 0.00 H new ATOM 0 HG2 LYS B 107 23.526 -0.235 4.419 1.00 0.00 H new ATOM 0 HG3 LYS B 107 22.786 -0.985 5.819 1.00 0.00 H new ATOM 0 HD2 LYS B 107 21.288 0.439 3.569 1.00 0.00 H new ATOM 0 HD3 LYS B 107 21.402 -1.297 3.779 1.00 0.00 H new ATOM 0 HE2 LYS B 107 20.278 -1.040 6.041 1.00 0.00 H new ATOM 0 HE3 LYS B 107 20.065 0.665 5.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 18.079 -0.316 5.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 18.899 -0.118 3.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.837 -1.646 4.327 1.00 0.00 H new ATOM 808 N PRO B 108 24.633 3.867 6.175 1.00 0.00 N ATOM 809 CA PRO B 108 24.661 5.288 6.535 1.00 0.00 C ATOM 810 C PRO B 108 23.249 5.883 6.686 1.00 0.00 C ATOM 811 O PRO B 108 22.285 5.425 6.063 1.00 0.00 O ATOM 812 CB PRO B 108 25.453 5.976 5.419 1.00 0.00 C ATOM 813 CG PRO B 108 25.160 5.102 4.201 1.00 0.00 C ATOM 814 CD PRO B 108 25.094 3.697 4.800 1.00 0.00 C ATOM 0 HA PRO B 108 25.127 5.437 7.509 1.00 0.00 H new ATOM 0 HB2 PRO B 108 25.125 7.004 5.266 1.00 0.00 H new ATOM 0 HB3 PRO B 108 26.519 6.011 5.643 1.00 0.00 H new ATOM 0 HG2 PRO B 108 24.223 5.381 3.719 1.00 0.00 H new ATOM 0 HG3 PRO B 108 25.943 5.184 3.447 1.00 0.00 H new ATOM 0 HD2 PRO B 108 24.410 3.064 4.235 1.00 0.00 H new ATOM 0 HD3 PRO B 108 26.071 3.215 4.773 1.00 0.00 H new ATOM 822 N THR B 109 23.131 6.940 7.495 1.00 0.00 N ATOM 823 CA THR B 109 21.885 7.697 7.722 1.00 0.00 C ATOM 824 C THR B 109 21.515 8.591 6.531 1.00 0.00 C ATOM 825 O THR B 109 22.372 8.987 5.739 1.00 0.00 O ATOM 826 CB THR B 109 21.990 8.543 9.007 1.00 0.00 C ATOM 827 OG1 THR B 109 23.129 9.388 8.998 1.00 0.00 O ATOM 828 CG2 THR B 109 22.090 7.658 10.253 1.00 0.00 C ATOM 0 H THR B 109 23.919 7.307 8.028 1.00 0.00 H new ATOM 0 HA THR B 109 21.088 6.963 7.837 1.00 0.00 H new ATOM 0 HB THR B 109 21.082 9.145 9.037 1.00 0.00 H new ATOM 0 HG1 THR B 109 23.157 9.908 9.828 1.00 0.00 H new ATOM 0 HG21 THR B 109 22.163 8.286 11.141 1.00 0.00 H new ATOM 0 HG22 THR B 109 21.202 7.029 10.325 1.00 0.00 H new ATOM 0 HG23 THR B 109 22.976 7.028 10.181 1.00 0.00 H new ATOM 836 N SER B 110 20.220 8.916 6.411 1.00 0.00 N ATOM 837 CA SER B 110 19.583 9.809 5.410 1.00 0.00 C ATOM 838 C SER B 110 19.700 9.415 3.920 1.00 0.00 C ATOM 839 O SER B 110 19.128 10.090 3.056 1.00 0.00 O ATOM 840 CB SER B 110 19.965 11.282 5.662 1.00 0.00 C ATOM 841 OG SER B 110 21.250 11.609 5.156 1.00 0.00 O ATOM 0 H SER B 110 19.529 8.536 7.058 1.00 0.00 H new ATOM 0 HA SER B 110 18.517 9.669 5.589 1.00 0.00 H new ATOM 0 HB2 SER B 110 19.221 11.930 5.199 1.00 0.00 H new ATOM 0 HB3 SER B 110 19.939 11.482 6.733 1.00 0.00 H new ATOM 0 HG SER B 110 21.836 10.826 5.220 1.00 0.00 H new ATOM 847 N SER B 111 20.379 8.310 3.599 1.00 0.00 N ATOM 848 CA SER B 111 20.472 7.735 2.246 1.00 0.00 C ATOM 849 C SER B 111 19.178 7.015 1.822 1.00 0.00 C ATOM 850 O SER B 111 18.367 6.608 2.658 1.00 0.00 O ATOM 851 CB SER B 111 21.664 6.768 2.169 1.00 0.00 C ATOM 852 OG SER B 111 22.884 7.468 2.383 1.00 0.00 O ATOM 0 H SER B 111 20.897 7.771 4.293 1.00 0.00 H new ATOM 0 HA SER B 111 20.621 8.562 1.552 1.00 0.00 H new ATOM 0 HB2 SER B 111 21.552 5.982 2.916 1.00 0.00 H new ATOM 0 HB3 SER B 111 21.683 6.281 1.194 1.00 0.00 H new ATOM 0 HG SER B 111 23.640 6.879 2.177 1.00 0.00 H new ATOM 858 N ASP B 112 18.989 6.809 0.515 1.00 0.00 N ATOM 859 CA ASP B 112 17.813 6.147 -0.084 1.00 0.00 C ATOM 860 C ASP B 112 17.706 4.632 0.213 1.00 0.00 C ATOM 861 O ASP B 112 16.729 3.996 -0.190 1.00 0.00 O ATOM 862 CB ASP B 112 17.756 6.423 -1.604 1.00 0.00 C ATOM 863 CG ASP B 112 18.886 5.808 -2.455 1.00 0.00 C ATOM 864 OD1 ASP B 112 19.863 5.237 -1.913 1.00 0.00 O ATOM 865 OD2 ASP B 112 18.800 5.904 -3.701 1.00 0.00 O1- ATOM 0 H ASP B 112 19.670 7.106 -0.184 1.00 0.00 H new ATOM 0 HA ASP B 112 16.944 6.590 0.402 1.00 0.00 H new ATOM 0 HB2 ASP B 112 16.803 6.054 -1.983 1.00 0.00 H new ATOM 0 HB3 ASP B 112 17.763 7.502 -1.756 1.00 0.00 H new ATOM 870 N GLY B 113 18.651 4.051 0.959 1.00 0.00 N ATOM 871 CA GLY B 113 18.633 2.657 1.421 1.00 0.00 C ATOM 872 C GLY B 113 17.487 2.291 2.378 1.00 0.00 C ATOM 873 O GLY B 113 17.322 1.108 2.700 1.00 0.00 O ATOM 0 H GLY B 113 19.481 4.556 1.270 1.00 0.00 H new ATOM 0 HA2 GLY B 113 18.578 2.005 0.550 1.00 0.00 H new ATOM 0 HA3 GLY B 113 19.580 2.445 1.918 1.00 0.00 H new ATOM 877 N TRP B 114 16.666 3.262 2.809 1.00 0.00 N ATOM 878 CA TRP B 114 15.423 3.013 3.557 1.00 0.00 C ATOM 879 C TRP B 114 14.366 2.268 2.728 1.00 0.00 C ATOM 880 O TRP B 114 13.552 1.530 3.285 1.00 0.00 O ATOM 881 CB TRP B 114 14.858 4.348 4.074 1.00 0.00 C ATOM 882 CG TRP B 114 14.243 5.272 3.057 1.00 0.00 C ATOM 883 CD1 TRP B 114 14.865 6.324 2.470 1.00 0.00 C ATOM 884 CD2 TRP B 114 12.893 5.256 2.488 1.00 0.00 C ATOM 885 NE1 TRP B 114 14.008 6.939 1.578 1.00 0.00 N ATOM 886 CE2 TRP B 114 12.776 6.321 1.545 1.00 0.00 C ATOM 887 CE3 TRP B 114 11.748 4.447 2.686 1.00 0.00 C ATOM 888 CZ2 TRP B 114 11.601 6.556 0.813 1.00 0.00 C ATOM 889 CZ3 TRP B 114 10.562 4.673 1.960 1.00 0.00 C ATOM 890 CH2 TRP B 114 10.489 5.726 1.026 1.00 0.00 C ATOM 0 H TRP B 114 16.848 4.252 2.646 1.00 0.00 H new ATOM 0 HA TRP B 114 15.671 2.363 4.396 1.00 0.00 H new ATOM 0 HB2 TRP B 114 14.104 4.126 4.829 1.00 0.00 H new ATOM 0 HB3 TRP B 114 15.663 4.885 4.575 1.00 0.00 H new ATOM 0 HD1 TRP B 114 15.880 6.635 2.670 1.00 0.00 H new ATOM 0 HE1 TRP B 114 14.256 7.751 1.013 1.00 0.00 H new ATOM 0 HE3 TRP B 114 11.784 3.643 3.406 1.00 0.00 H new ATOM 0 HZ2 TRP B 114 11.553 7.363 0.097 1.00 0.00 H new ATOM 0 HZ3 TRP B 114 9.704 4.036 2.120 1.00 0.00 H new ATOM 0 HH2 TRP B 114 9.576 5.895 0.473 1.00 0.00 H new ATOM 901 N LYS B 115 14.384 2.424 1.397 1.00 0.00 N ATOM 902 CA LYS B 115 13.394 1.844 0.473 1.00 0.00 C ATOM 903 C LYS B 115 13.421 0.311 0.471 1.00 0.00 C ATOM 904 O LYS B 115 12.369 -0.325 0.435 1.00 0.00 O ATOM 905 CB LYS B 115 13.635 2.391 -0.943 1.00 0.00 C ATOM 906 CG LYS B 115 13.414 3.908 -1.041 1.00 0.00 C ATOM 907 CD LYS B 115 13.755 4.420 -2.440 1.00 0.00 C ATOM 908 CE LYS B 115 13.506 5.931 -2.520 1.00 0.00 C ATOM 909 NZ LYS B 115 13.886 6.478 -3.850 1.00 0.00 N1+ ATOM 0 H LYS B 115 15.103 2.969 0.920 1.00 0.00 H new ATOM 0 HA LYS B 115 12.403 2.137 0.819 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.654 2.156 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS B 115 12.968 1.885 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.376 4.144 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.032 4.418 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.797 4.202 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.148 3.903 -3.183 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.453 6.138 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.077 6.436 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.705 7.502 -3.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 14.897 6.302 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.323 6.013 -4.590 1.00 0.00 H new ATOM 923 N ASP B 116 14.611 -0.287 0.575 1.00 0.00 N ATOM 924 CA ASP B 116 14.797 -1.740 0.671 1.00 0.00 C ATOM 925 C ASP B 116 14.225 -2.309 1.984 1.00 0.00 C ATOM 926 O ASP B 116 13.592 -3.365 1.974 1.00 0.00 O ATOM 927 CB ASP B 116 16.293 -2.094 0.548 1.00 0.00 C ATOM 928 CG ASP B 116 16.949 -1.732 -0.797 1.00 0.00 C ATOM 929 OD1 ASP B 116 18.201 -1.682 -0.842 1.00 0.00 O ATOM 930 OD2 ASP B 116 16.245 -1.539 -1.818 1.00 0.00 O1- ATOM 0 H ASP B 116 15.488 0.233 0.595 1.00 0.00 H new ATOM 0 HA ASP B 116 14.247 -2.196 -0.152 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.836 -1.587 1.346 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.410 -3.165 0.714 1.00 0.00 H new ATOM 935 N ASP B 117 14.392 -1.582 3.096 1.00 0.00 N ATOM 936 CA ASP B 117 13.797 -1.944 4.390 1.00 0.00 C ATOM 937 C ASP B 117 12.274 -1.764 4.396 1.00 0.00 C ATOM 938 O ASP B 117 11.567 -2.552 5.031 1.00 0.00 O ATOM 939 CB ASP B 117 14.433 -1.136 5.531 1.00 0.00 C ATOM 940 CG ASP B 117 15.953 -1.308 5.651 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.630 -0.366 6.129 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.514 -2.364 5.281 1.00 0.00 O1- ATOM 0 H ASP B 117 14.944 -0.725 3.124 1.00 0.00 H new ATOM 0 HA ASP B 117 14.004 -3.002 4.549 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.209 -0.080 5.382 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.970 -1.431 6.472 1.00 0.00 H new ATOM 947 N TYR B 118 11.751 -0.772 3.661 1.00 0.00 N ATOM 948 CA TYR B 118 10.313 -0.548 3.525 1.00 0.00 C ATOM 949 C TYR B 118 9.649 -1.674 2.716 1.00 0.00 C ATOM 950 O TYR B 118 8.681 -2.267 3.183 1.00 0.00 O ATOM 951 CB TYR B 118 10.034 0.846 2.945 1.00 0.00 C ATOM 952 CG TYR B 118 8.697 1.416 3.374 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.640 1.589 2.458 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.509 1.776 4.726 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.400 2.097 2.894 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.273 2.264 5.172 1.00 0.00 C ATOM 957 CZ TYR B 118 6.207 2.410 4.260 1.00 0.00 C ATOM 958 OH TYR B 118 5.003 2.859 4.703 1.00 0.00 O ATOM 0 H TYR B 118 12.320 -0.102 3.144 1.00 0.00 H new ATOM 0 HA TYR B 118 9.861 -0.575 4.516 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.827 1.526 3.254 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.066 0.792 1.857 1.00 0.00 H new ATOM 0 HD1 TYR B 118 7.781 1.331 1.419 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.327 1.674 5.424 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.598 2.247 2.186 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.137 2.527 6.211 1.00 0.00 H new ATOM 0 HH TYR B 118 5.050 3.023 5.668 1.00 0.00 H new ATOM 968 N LEU B 119 10.214 -2.086 1.578 1.00 0.00 N ATOM 969 CA LEU B 119 9.771 -3.289 0.853 1.00 0.00 C ATOM 970 C LEU B 119 9.911 -4.559 1.717 1.00 0.00 C ATOM 971 O LEU B 119 9.004 -5.399 1.712 1.00 0.00 O ATOM 972 CB LEU B 119 10.568 -3.420 -0.465 1.00 0.00 C ATOM 973 CG LEU B 119 9.843 -2.829 -1.690 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.450 -1.360 -1.534 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.729 -2.966 -2.927 1.00 0.00 C ATOM 0 H LEU B 119 10.990 -1.599 1.131 1.00 0.00 H new ATOM 0 HA LEU B 119 8.712 -3.182 0.620 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.530 -2.921 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.775 -4.474 -0.650 1.00 0.00 H new ATOM 0 HG LEU B 119 8.919 -3.398 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.945 -1.020 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.779 -1.251 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.345 -0.759 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.214 -2.547 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.664 -2.429 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU B 119 10.942 -4.020 -3.107 1.00 0.00 H new ATOM 987 N SER B 120 10.990 -4.693 2.496 1.00 0.00 N ATOM 988 CA SER B 120 11.182 -5.841 3.392 1.00 0.00 C ATOM 989 C SER B 120 10.061 -5.958 4.439 1.00 0.00 C ATOM 990 O SER B 120 9.477 -7.033 4.597 1.00 0.00 O ATOM 991 CB SER B 120 12.565 -5.767 4.062 1.00 0.00 C ATOM 992 OG SER B 120 12.804 -6.895 4.890 1.00 0.00 O ATOM 0 H SER B 120 11.751 -4.014 2.524 1.00 0.00 H new ATOM 0 HA SER B 120 11.135 -6.745 2.785 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.338 -5.706 3.296 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.634 -4.857 4.657 1.00 0.00 H new ATOM 0 HG SER B 120 13.691 -6.818 5.299 1.00 0.00 H new ATOM 998 N ARG B 121 9.690 -4.856 5.116 1.00 0.00 N ATOM 999 CA ARG B 121 8.631 -4.852 6.144 1.00 0.00 C ATOM 1000 C ARG B 121 7.213 -4.926 5.572 1.00 0.00 C ATOM 1001 O ARG B 121 6.362 -5.597 6.155 1.00 0.00 O ATOM 1002 CB ARG B 121 8.828 -3.670 7.118 1.00 0.00 C ATOM 1003 CG ARG B 121 8.351 -2.300 6.612 1.00 0.00 C ATOM 1004 CD ARG B 121 8.762 -1.151 7.537 1.00 0.00 C ATOM 1005 NE ARG B 121 8.150 -1.281 8.877 1.00 0.00 N ATOM 1006 CZ ARG B 121 8.722 -1.072 10.049 1.00 0.00 C ATOM 1007 NH1 ARG B 121 9.967 -0.695 10.170 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 8.041 -1.241 11.145 1.00 0.00 N ATOM 0 H ARG B 121 10.116 -3.942 4.966 1.00 0.00 H new ATOM 0 HA ARG B 121 8.736 -5.776 6.712 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.302 -3.897 8.046 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.888 -3.597 7.362 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.759 -2.123 5.617 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.265 -2.311 6.514 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.848 -1.132 7.633 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.465 -0.201 7.092 1.00 0.00 H new ATOM 0 HE ARG B 121 7.171 -1.566 8.899 1.00 0.00 H new ATOM 0 HH11 ARG B 121 10.539 -0.550 9.338 1.00 0.00 H new ATOM 0 HH12 ARG B 121 10.367 -0.545 11.096 1.00 0.00 H new ATOM 0 HH21 ARG B 121 7.065 -1.535 11.099 1.00 0.00 H new ATOM 0 HH22 ARG B 121 8.483 -1.080 12.050 1.00 0.00 H new ATOM 1022 N LEU B 122 6.959 -4.300 4.422 1.00 0.00 N ATOM 1023 CA LEU B 122 5.649 -4.304 3.751 1.00 0.00 C ATOM 1024 C LEU B 122 5.187 -5.715 3.348 1.00 0.00 C ATOM 1025 O LEU B 122 4.009 -6.045 3.501 1.00 0.00 O ATOM 1026 CB LEU B 122 5.684 -3.390 2.512 1.00 0.00 C ATOM 1027 CG LEU B 122 5.146 -1.957 2.705 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.620 -1.223 3.958 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.542 -1.139 1.476 1.00 0.00 C ATOM 0 H LEU B 122 7.667 -3.766 3.918 1.00 0.00 H new ATOM 0 HA LEU B 122 4.925 -3.925 4.472 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.715 -3.325 2.164 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.109 -3.867 1.718 1.00 0.00 H new ATOM 0 HG LEU B 122 4.068 -2.059 2.833 1.00 0.00 H new ATOM 0 HD11 LEU B 122 5.177 -0.227 3.986 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.315 -1.781 4.844 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.706 -1.137 3.940 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.174 -0.119 1.584 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.628 -1.125 1.382 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.107 -1.589 0.584 1.00 0.00 H new ATOM 1041 N SER B 123 6.105 -6.565 2.888 1.00 0.00 N ATOM 1042 CA SER B 123 5.804 -7.952 2.506 1.00 0.00 C ATOM 1043 C SER B 123 5.192 -8.802 3.634 1.00 0.00 C ATOM 1044 O SER B 123 4.484 -9.774 3.353 1.00 0.00 O ATOM 1045 CB SER B 123 7.063 -8.642 1.964 1.00 0.00 C ATOM 1046 OG SER B 123 7.976 -8.993 2.990 1.00 0.00 O ATOM 0 H SER B 123 7.086 -6.313 2.768 1.00 0.00 H new ATOM 0 HA SER B 123 5.042 -7.881 1.730 1.00 0.00 H new ATOM 0 HB2 SER B 123 6.774 -9.539 1.417 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.558 -7.981 1.253 1.00 0.00 H new ATOM 0 HG SER B 123 8.343 -8.179 3.394 1.00 0.00 H new ATOM 1052 N ARG B 124 5.424 -8.429 4.899 1.00 0.00 N ATOM 1053 CA ARG B 124 4.978 -9.171 6.096 1.00 0.00 C ATOM 1054 C ARG B 124 3.494 -8.979 6.444 1.00 0.00 C ATOM 1055 O ARG B 124 2.935 -9.818 7.155 1.00 0.00 O ATOM 1056 CB ARG B 124 5.865 -8.786 7.296 1.00 0.00 C ATOM 1057 CG ARG B 124 7.389 -8.837 7.060 1.00 0.00 C ATOM 1058 CD ARG B 124 7.904 -10.140 6.439 1.00 0.00 C ATOM 1059 NE ARG B 124 7.641 -11.322 7.280 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.887 -12.579 6.958 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.406 -12.911 5.809 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.614 -13.541 7.792 1.00 0.00 N ATOM 0 H ARG B 124 5.941 -7.580 5.130 1.00 0.00 H new ATOM 0 HA ARG B 124 5.085 -10.230 5.861 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.600 -7.776 7.608 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.624 -9.449 8.127 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.669 -8.007 6.411 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.895 -8.681 8.013 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.435 -10.282 5.465 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.977 -10.055 6.267 1.00 0.00 H new ATOM 0 HE ARG B 124 7.230 -11.153 8.198 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.635 -12.190 5.125 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.583 -13.892 5.594 1.00 0.00 H new ATOM 0 HH21 ARG B 124 7.207 -13.327 8.702 1.00 0.00 H new ATOM 0 HH22 ARG B 124 7.807 -14.509 7.535 1.00 0.00 H new ATOM 1076 N LEU B 125 2.854 -7.902 5.962 1.00 0.00 N ATOM 1077 CA LEU B 125 1.434 -7.619 6.226 1.00 0.00 C ATOM 1078 C LEU B 125 0.486 -8.587 5.496 1.00 0.00 C ATOM 1079 O LEU B 125 0.746 -9.009 4.364 1.00 0.00 O ATOM 1080 CB LEU B 125 1.081 -6.158 5.862 1.00 0.00 C ATOM 1081 CG LEU B 125 1.592 -5.029 6.781 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.568 -5.365 8.273 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.995 -4.563 6.407 1.00 0.00 C ATOM 0 H LEU B 125 3.308 -7.201 5.377 1.00 0.00 H new ATOM 0 HA LEU B 125 1.289 -7.768 7.296 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.459 -5.965 4.858 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.005 -6.081 5.814 1.00 0.00 H new ATOM 0 HG LEU B 125 0.877 -4.223 6.613 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.944 -4.516 8.843 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.545 -5.585 8.580 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.198 -6.235 8.460 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.307 -3.768 7.084 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.689 -5.400 6.485 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.993 -4.188 5.384 1.00 0.00 H new ATOM 1095 N SER B 126 -0.650 -8.885 6.137 1.00 0.00 N ATOM 1096 CA SER B 126 -1.811 -9.554 5.518 1.00 0.00 C ATOM 1097 C SER B 126 -2.543 -8.633 4.524 1.00 0.00 C ATOM 1098 O SER B 126 -2.350 -7.417 4.538 1.00 0.00 O ATOM 1099 CB SER B 126 -2.783 -10.049 6.602 1.00 0.00 C ATOM 1100 OG SER B 126 -2.167 -11.019 7.438 1.00 0.00 O ATOM 0 H SER B 126 -0.796 -8.665 7.122 1.00 0.00 H new ATOM 0 HA SER B 126 -1.435 -10.409 4.956 1.00 0.00 H new ATOM 0 HB2 SER B 126 -3.120 -9.206 7.205 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.668 -10.479 6.132 1.00 0.00 H new ATOM 0 HG SER B 126 -2.805 -11.316 8.120 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.398 -9.200 3.660 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.067 -8.485 2.548 1.00 0.00 C ATOM 1108 C LYS B 127 -4.891 -7.266 3.001 1.00 0.00 C ATOM 1109 O LYS B 127 -4.866 -6.220 2.354 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.946 -9.491 1.771 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.221 -9.078 0.316 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.035 -9.388 -0.611 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.227 -8.847 -2.034 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.411 -9.426 -2.716 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.653 -10.186 3.710 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.289 -8.078 1.902 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.458 -10.466 1.776 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.896 -9.607 2.292 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.108 -9.598 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.440 -8.011 0.278 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.127 -8.960 -0.185 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -3.889 -10.467 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.331 -7.763 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.334 -9.060 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -5.305 -9.321 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -5.490 -10.435 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.269 -8.928 -2.404 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.574 -7.376 4.137 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.331 -6.285 4.759 1.00 0.00 C ATOM 1130 C ASN B 128 -5.423 -5.214 5.398 1.00 0.00 C ATOM 1131 O ASN B 128 -5.702 -4.018 5.304 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.315 -6.888 5.781 1.00 0.00 C ATOM 1133 CG ASN B 128 -6.663 -7.586 6.971 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -5.674 -8.298 6.849 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -7.190 -7.404 8.160 1.00 0.00 N ATOM 0 H ASN B 128 -5.620 -8.247 4.667 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.886 -5.760 3.982 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.960 -6.093 6.154 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.957 -7.603 5.266 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -6.776 -7.855 8.976 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -8.014 -6.812 8.268 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.306 -5.627 6.009 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.335 -4.755 6.677 1.00 0.00 C ATOM 1144 C GLN B 129 -2.547 -3.889 5.676 1.00 0.00 C ATOM 1145 O GLN B 129 -2.413 -2.685 5.881 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.376 -5.598 7.535 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.056 -6.295 8.726 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.153 -7.319 9.420 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.208 -7.867 8.855 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.419 -7.639 10.669 1.00 0.00 N ATOM 0 H GLN B 129 -4.045 -6.612 6.053 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.890 -4.073 7.321 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.907 -6.353 6.904 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.579 -4.956 7.909 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.365 -5.542 9.451 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -3.961 -6.794 8.379 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.199 -7.195 11.154 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -1.845 -8.331 11.151 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.076 -4.471 4.564 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.398 -3.711 3.494 1.00 0.00 C ATOM 1161 C LEU B 130 -2.336 -2.712 2.794 1.00 0.00 C ATOM 1162 O LEU B 130 -1.898 -1.626 2.410 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.686 -4.661 2.510 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.554 -5.669 1.729 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.138 -5.125 0.421 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.723 -6.912 1.402 1.00 0.00 C ATOM 0 H LEU B 130 -2.151 -5.471 4.378 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.627 -3.099 3.963 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.147 -4.050 1.785 1.00 0.00 H new ATOM 0 HB3 LEU B 130 0.061 -5.225 3.069 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.397 -5.897 2.382 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.734 -5.900 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.769 -4.263 0.635 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.327 -4.825 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.336 -7.625 0.850 1.00 0.00 H new ATOM 0 HD22 LEU B 130 0.136 -6.626 0.795 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.377 -7.372 2.328 1.00 0.00 H new ATOM 1178 N MET B 131 -3.636 -3.025 2.692 1.00 0.00 N ATOM 1179 CA MET B 131 -4.653 -2.093 2.191 1.00 0.00 C ATOM 1180 C MET B 131 -4.895 -0.933 3.165 1.00 0.00 C ATOM 1181 O MET B 131 -4.898 0.225 2.744 1.00 0.00 O ATOM 1182 CB MET B 131 -5.969 -2.827 1.901 1.00 0.00 C ATOM 1183 CG MET B 131 -5.987 -3.396 0.482 1.00 0.00 C ATOM 1184 SD MET B 131 -7.597 -4.045 -0.033 1.00 0.00 S ATOM 1185 CE MET B 131 -7.561 -5.673 0.742 1.00 0.00 C ATOM 0 H MET B 131 -4.012 -3.936 2.956 1.00 0.00 H new ATOM 0 HA MET B 131 -4.272 -1.671 1.261 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.104 -3.635 2.621 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.806 -2.141 2.031 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.682 -2.615 -0.215 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.247 -4.193 0.412 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.366 -6.286 0.338 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.603 -6.152 0.538 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.692 -5.566 1.819 1.00 0.00 H new ATOM 1195 N ALA B 132 -5.038 -1.210 4.467 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.183 -0.171 5.489 1.00 0.00 C ATOM 1197 C ALA B 132 -3.958 0.767 5.541 1.00 0.00 C ATOM 1198 O ALA B 132 -4.108 1.989 5.622 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.442 -0.852 6.837 1.00 0.00 C ATOM 0 H ALA B 132 -5.056 -2.160 4.839 1.00 0.00 H new ATOM 0 HA ALA B 132 -6.029 0.468 5.237 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.553 -0.094 7.612 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.355 -1.445 6.776 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.603 -1.503 7.083 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.746 0.211 5.424 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.494 0.962 5.340 1.00 0.00 C ATOM 1207 C LEU B 133 -1.441 1.871 4.098 1.00 0.00 C ATOM 1208 O LEU B 133 -1.209 3.074 4.232 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.314 -0.030 5.378 1.00 0.00 C ATOM 1210 CG LEU B 133 1.083 0.614 5.268 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.398 1.569 6.425 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.138 -0.489 5.268 1.00 0.00 C ATOM 0 H LEU B 133 -2.609 -0.799 5.384 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.427 1.632 6.197 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.364 -0.596 6.308 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.433 -0.745 4.564 1.00 0.00 H new ATOM 0 HG LEU B 133 1.093 1.192 4.344 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.395 1.989 6.289 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.664 2.375 6.442 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.360 1.023 7.368 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.130 -0.044 5.190 1.00 0.00 H new ATOM 0 HD22 LEU B 133 2.068 -1.060 6.194 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.971 -1.152 4.419 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.709 1.332 2.905 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.694 2.105 1.663 1.00 0.00 C ATOM 1226 C ALA B 134 -2.775 3.208 1.640 1.00 0.00 C ATOM 1227 O ALA B 134 -2.505 4.321 1.183 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.843 1.140 0.484 1.00 0.00 C ATOM 0 H ALA B 134 -1.942 0.348 2.775 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.741 2.630 1.588 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.834 1.702 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -1.016 0.430 0.488 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.786 0.600 0.573 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.966 2.953 2.191 1.00 0.00 N ATOM 1235 CA LEU B 135 -5.038 3.948 2.331 1.00 0.00 C ATOM 1236 C LEU B 135 -4.625 5.079 3.296 1.00 0.00 C ATOM 1237 O LEU B 135 -4.764 6.256 2.963 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.314 3.196 2.779 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.663 3.941 2.757 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.773 5.105 3.738 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.996 4.456 1.357 1.00 0.00 C ATOM 0 H LEU B 135 -4.218 2.035 2.559 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.238 4.446 1.382 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.415 2.313 2.148 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.149 2.843 3.797 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.381 3.185 3.075 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.757 5.565 3.648 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.636 4.738 4.755 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.005 5.845 3.513 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.954 4.976 1.379 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.217 5.144 1.027 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.055 3.616 0.665 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.029 4.734 4.448 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.490 5.689 5.440 1.00 0.00 C ATOM 1255 C LYS B 136 -2.366 6.557 4.856 1.00 0.00 C ATOM 1256 O LYS B 136 -2.295 7.754 5.142 1.00 0.00 O ATOM 1257 CB LYS B 136 -3.034 4.904 6.684 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.564 5.821 7.826 1.00 0.00 C ATOM 1259 CD LYS B 136 -2.339 5.057 9.137 1.00 0.00 C ATOM 1260 CE LYS B 136 -1.201 4.026 9.033 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.957 3.367 10.340 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.903 3.761 4.726 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.275 6.388 5.728 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.857 4.282 7.038 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.223 4.231 6.407 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.637 6.315 7.533 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.305 6.604 7.988 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -2.110 5.767 9.932 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -3.261 4.548 9.420 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.454 3.275 8.285 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -0.289 4.519 8.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -0.185 2.677 10.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.693 4.083 11.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.821 2.878 10.649 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.513 5.989 4.006 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.509 6.724 3.224 1.00 0.00 C ATOM 1277 C LEU B 137 -1.161 7.662 2.190 1.00 0.00 C ATOM 1278 O LEU B 137 -0.725 8.810 2.056 1.00 0.00 O ATOM 1279 CB LEU B 137 0.431 5.721 2.526 1.00 0.00 C ATOM 1280 CG LEU B 137 1.783 5.470 3.217 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.677 5.086 4.693 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.504 4.346 2.473 1.00 0.00 C ATOM 0 H LEU B 137 -1.497 4.984 3.835 1.00 0.00 H new ATOM 0 HA LEU B 137 0.065 7.350 3.907 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.090 4.768 2.435 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.623 6.077 1.514 1.00 0.00 H new ATOM 0 HG LEU B 137 2.328 6.413 3.183 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.676 4.928 5.100 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.184 5.887 5.243 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.096 4.169 4.789 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.466 4.153 2.949 1.00 0.00 H new ATOM 0 HD22 LEU B 137 1.897 3.441 2.503 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.665 4.641 1.436 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.205 7.210 1.483 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.870 7.979 0.416 1.00 0.00 C ATOM 1296 C LYS B 138 -3.578 9.223 0.949 1.00 0.00 C ATOM 1297 O LYS B 138 -3.383 10.307 0.406 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.837 7.066 -0.372 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.412 7.718 -1.644 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.323 8.154 -2.636 1.00 0.00 C ATOM 1301 CE LYS B 138 -3.927 8.688 -3.936 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.865 9.105 -4.888 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.618 6.290 1.635 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.099 8.339 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.313 6.151 -0.649 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.661 6.776 0.280 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.083 7.014 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.009 8.585 -1.363 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.701 8.924 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.672 7.308 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.549 7.919 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.577 9.535 -3.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.254 9.796 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.079 9.538 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.518 8.273 -5.407 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.345 9.100 2.035 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.050 10.248 2.627 1.00 0.00 C ATOM 1318 C GLN B 139 -4.078 11.323 3.157 1.00 0.00 C ATOM 1319 O GLN B 139 -4.360 12.516 3.042 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.061 9.780 3.692 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.435 9.156 4.945 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.479 8.811 6.002 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -6.678 9.520 6.980 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.198 7.713 5.859 1.00 0.00 N ATOM 0 H GLN B 139 -4.496 8.218 2.525 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.618 10.734 1.834 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.670 10.632 3.994 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.734 9.052 3.239 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -4.891 8.253 4.666 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.707 9.848 5.368 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -7.049 7.107 5.052 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.902 7.470 6.556 1.00 0.00 H new ATOM 1333 N GLN B 140 -2.898 10.934 3.663 1.00 0.00 N ATOM 1334 CA GLN B 140 -1.851 11.875 4.094 1.00 0.00 C ATOM 1335 C GLN B 140 -1.298 12.704 2.924 1.00 0.00 C ATOM 1336 O GLN B 140 -1.271 13.930 3.011 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.732 11.114 4.822 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.125 10.795 6.277 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.074 9.933 6.969 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.768 10.402 7.723 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.060 8.643 6.722 1.00 0.00 N ATOM 0 H GLN B 140 -2.641 9.954 3.786 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.301 12.586 4.787 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.514 10.187 4.291 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.181 11.709 4.812 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.255 11.725 6.831 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.085 10.279 6.290 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -0.755 8.236 6.096 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.646 8.048 7.156 1.00 0.00 H new ATOM 1350 N GLN B 141 -0.923 12.070 1.805 1.00 0.00 N ATOM 1351 CA GLN B 141 -0.412 12.804 0.634 1.00 0.00 C ATOM 1352 C GLN B 141 -1.473 13.685 -0.060 1.00 0.00 C ATOM 1353 O GLN B 141 -1.099 14.630 -0.758 1.00 0.00 O ATOM 1354 CB GLN B 141 0.299 11.858 -0.350 1.00 0.00 C ATOM 1355 CG GLN B 141 -0.607 10.838 -1.065 1.00 0.00 C ATOM 1356 CD GLN B 141 -0.025 10.345 -2.391 1.00 0.00 C ATOM 1357 OE1 GLN B 141 -0.699 10.276 -3.410 1.00 0.00 O ATOM 1358 NE2 GLN B 141 1.246 10.007 -2.451 1.00 0.00 N ATOM 0 H GLN B 141 -0.962 11.058 1.684 1.00 0.00 H new ATOM 0 HA GLN B 141 0.329 13.506 1.015 1.00 0.00 H new ATOM 0 HB2 GLN B 141 0.804 12.461 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN B 141 1.072 11.313 0.192 1.00 0.00 H new ATOM 0 HG2 GLN B 141 -0.772 9.984 -0.408 1.00 0.00 H new ATOM 0 HG3 GLN B 141 -1.581 11.292 -1.249 1.00 0.00 H new ATOM 0 HE21 GLN B 141 1.827 10.057 -1.614 1.00 0.00 H new ATOM 0 HE22 GLN B 141 1.650 9.695 -3.334 1.00 0.00 H new ATOM 1367 N LEU B 142 -2.773 13.419 0.152 1.00 0.00 N ATOM 1368 CA LEU B 142 -3.888 14.265 -0.300 1.00 0.00 C ATOM 1369 C LEU B 142 -4.139 15.476 0.620 1.00 0.00 C ATOM 1370 O LEU B 142 -4.463 16.558 0.122 1.00 0.00 O ATOM 1371 CB LEU B 142 -5.158 13.388 -0.417 1.00 0.00 C ATOM 1372 CG LEU B 142 -5.449 12.875 -1.841 1.00 0.00 C ATOM 1373 CD1 LEU B 142 -4.306 12.076 -2.471 1.00 0.00 C ATOM 1374 CD2 LEU B 142 -6.690 11.976 -1.805 1.00 0.00 C ATOM 0 H LEU B 142 -3.084 12.588 0.655 1.00 0.00 H new ATOM 0 HA LEU B 142 -3.624 14.683 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -5.057 12.532 0.251 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -6.016 13.964 -0.069 1.00 0.00 H new ATOM 0 HG LEU B 142 -5.594 13.764 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU B 142 -4.595 11.754 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -3.416 12.702 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -4.091 11.202 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU B 142 -6.903 11.609 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU B 142 -6.508 11.131 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU B 142 -7.543 12.548 -1.440 1.00 0.00 H new ATOM 1386 N GLU B 143 -4.009 15.315 1.943 1.00 0.00 N ATOM 1387 CA GLU B 143 -4.197 16.403 2.921 1.00 0.00 C ATOM 1388 C GLU B 143 -2.995 17.363 3.023 1.00 0.00 C ATOM 1389 O GLU B 143 -3.167 18.534 3.375 1.00 0.00 O ATOM 1390 CB GLU B 143 -4.524 15.807 4.306 1.00 0.00 C ATOM 1391 CG GLU B 143 -5.929 15.181 4.381 1.00 0.00 C ATOM 1392 CD GLU B 143 -7.051 16.218 4.178 1.00 0.00 C ATOM 1393 OE1 GLU B 143 -7.130 17.208 4.947 1.00 0.00 O ATOM 1394 OE2 GLU B 143 -7.898 16.036 3.273 1.00 0.00 O1- ATOM 0 H GLU B 143 -3.769 14.421 2.371 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.031 17.005 2.560 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -3.782 15.048 4.552 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -4.441 16.590 5.060 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -6.017 14.403 3.623 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -6.056 14.698 5.350 1.00 0.00 H new ATOM 1401 N GLN B 144 -1.782 16.905 2.684 1.00 0.00 N ATOM 1402 CA GLN B 144 -0.591 17.752 2.518 1.00 0.00 C ATOM 1403 C GLN B 144 -0.696 18.739 1.335 1.00 0.00 C ATOM 1404 O GLN B 144 -1.439 18.511 0.374 1.00 0.00 O ATOM 1405 CB GLN B 144 0.642 16.853 2.330 1.00 0.00 C ATOM 1406 CG GLN B 144 1.105 16.155 3.618 1.00 0.00 C ATOM 1407 CD GLN B 144 2.139 15.061 3.337 1.00 0.00 C ATOM 1408 OE1 GLN B 144 2.227 14.513 2.246 1.00 0.00 O ATOM 1409 NE2 GLN B 144 2.959 14.700 4.303 1.00 0.00 N ATOM 0 H GLN B 144 -1.597 15.916 2.514 1.00 0.00 H new ATOM 0 HA GLN B 144 -0.503 18.358 3.420 1.00 0.00 H new ATOM 0 HB2 GLN B 144 0.416 16.096 1.579 1.00 0.00 H new ATOM 0 HB3 GLN B 144 1.462 17.455 1.939 1.00 0.00 H new ATOM 0 HG2 GLN B 144 1.533 16.893 4.297 1.00 0.00 H new ATOM 0 HG3 GLN B 144 0.244 15.719 4.124 1.00 0.00 H new ATOM 0 HE21 GLN B 144 2.898 15.147 5.218 1.00 0.00 H new ATOM 0 HE22 GLN B 144 3.655 13.973 4.136 1.00 0.00 H new ATOM 1418 N GLY B 145 0.107 19.812 1.374 1.00 0.00 N ATOM 1419 CA GLY B 145 0.236 20.835 0.315 1.00 0.00 C ATOM 1420 C GLY B 145 -0.967 21.778 0.235 1.00 0.00 C ATOM 1421 O GLY B 145 -1.594 21.861 -0.847 1.00 0.00 O ATOM 1422 OXT GLY B 145 -1.251 22.463 1.245 1.00 0.00 O1- ATOM 0 H GLY B 145 0.710 20.003 2.174 1.00 0.00 H new ATOM 0 HA2 GLY B 145 1.137 21.421 0.494 1.00 0.00 H new ATOM 0 HA3 GLY B 145 0.364 20.338 -0.647 1.00 0.00 H new TER 1426 GLY B 145