USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=25 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+ -156:sc= 0.877 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.281 K(o=1.4,f=-0.96) USER MOD Set 1.3: B 140 GLN : amide:sc= 0.229 X(o=1.4,f=1.6) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.884 K(o=3.7,f=-1.2) USER MOD Set 2.2: B 138 LYS NZ :NH3+ -158:sc= 0.951 (180deg=0) USER MOD Set 2.3: B 141 GLN : amide:sc= 1.85 K(o=3.7,f=-1.2) USER MOD Set 3.1: A 44 GLN : amide:sc= 0.364 K(o=0.8,f=-0.2) USER MOD Set 3.2: B 144 GLN : amide:sc= 0.438 K(o=0.8,f=-4.4!) USER MOD Set 4.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 127 LYS NZ :NH3+ 180:sc= 1.04 (180deg=1.04) USER MOD Set 5.1: A 15 LYS NZ :NH3+ 161:sc= 1.18 (180deg=0.876) USER MOD Set 5.2: B 139 GLN : amide:sc= -0.0416 X(o=1.1,f=0.88) USER MOD Set 6.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 11 SER OG : rot 180:sc= 0.144 USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0.962 (180deg=0.942) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 172:sc= 0 (180deg=-0.0684) USER MOD Single : A 6 ASN : amide:sc= 0.97 K(o=0.97,f=-0.26) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 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+ -171:sc= 0.636 (180deg=0.577) USER MOD Single : A 28 ASN : amide:sc= 0.116 K(o=0.12,f=-2.9!) USER MOD Single : A 29 GLN : amide:sc= 0.639 K(o=0.64,f=-3.9!) USER MOD Single : A 31 MET CE :methyl -178:sc= -0.249 (180deg=-0.258) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : B 104 SER OG : rot 180:sc= 0 USER MOD Single : B 105 MET CE :methyl 165:sc= -0.0153 (180deg=-0.266) USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 THR OG1 : rot -34:sc= 0.0918 USER MOD Single : B 110 SER OG : rot 180:sc= 0 USER MOD Single : B 111 SER OG : rot -122:sc= 0.224 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= 0.545 USER MOD Single : B 123 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc= 0 USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 129 GLN : amide:sc= 0.445 K(o=0.44,f=-3.2!) USER MOD Single : B 131 MET CE :methyl 145:sc= -0.11 (180deg=-0.311) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.263 4.698 5.342 1.00 0.00 N ATOM 2 CA GLY A 1 -29.841 3.346 5.497 1.00 0.00 C ATOM 3 C GLY A 1 -29.978 2.618 4.159 1.00 0.00 C ATOM 4 O GLY A 1 -29.900 3.260 3.108 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.267 5.185 6.261 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.285 4.620 4.996 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.829 5.241 4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.212 2.758 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.821 3.424 5.968 1.00 0.00 H new ATOM 10 N PRO A 2 -30.177 1.284 4.160 1.00 0.00 N ATOM 11 CA PRO A 2 -30.330 0.467 2.948 1.00 0.00 C ATOM 12 C PRO A 2 -31.541 0.832 2.074 1.00 0.00 C ATOM 13 O PRO A 2 -32.555 1.336 2.561 1.00 0.00 O ATOM 14 CB PRO A 2 -30.446 -0.984 3.437 1.00 0.00 C ATOM 15 CG PRO A 2 -29.752 -0.960 4.798 1.00 0.00 C ATOM 16 CD PRO A 2 -30.142 0.414 5.331 1.00 0.00 C ATOM 0 HA PRO A 2 -29.472 0.638 2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -31.487 -1.296 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -29.960 -1.678 2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -30.100 -1.763 5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -28.671 -1.070 4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -31.112 0.383 5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -29.420 0.771 6.065 1.00 0.00 H new ATOM 24 N GLY A 3 -31.462 0.510 0.779 1.00 0.00 N ATOM 25 CA GLY A 3 -32.540 0.699 -0.199 1.00 0.00 C ATOM 26 C GLY A 3 -32.529 2.053 -0.925 1.00 0.00 C ATOM 27 O GLY A 3 -31.792 2.978 -0.567 1.00 0.00 O ATOM 0 H GLY A 3 -30.623 0.099 0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -32.479 -0.095 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -33.497 0.585 0.311 1.00 0.00 H new ATOM 31 N SER A 4 -33.346 2.167 -1.976 1.00 0.00 N ATOM 32 CA SER A 4 -33.400 3.342 -2.865 1.00 0.00 C ATOM 33 C SER A 4 -33.848 4.618 -2.140 1.00 0.00 C ATOM 34 O SER A 4 -34.790 4.594 -1.340 1.00 0.00 O ATOM 35 CB SER A 4 -34.316 3.053 -4.065 1.00 0.00 C ATOM 36 OG SER A 4 -34.284 4.131 -4.991 1.00 0.00 O ATOM 0 H SER A 4 -34.003 1.434 -2.242 1.00 0.00 H new ATOM 0 HA SER A 4 -32.385 3.525 -3.217 1.00 0.00 H new ATOM 0 HB2 SER A 4 -33.999 2.134 -4.558 1.00 0.00 H new ATOM 0 HB3 SER A 4 -35.337 2.894 -3.719 1.00 0.00 H new ATOM 0 HG SER A 4 -34.871 3.929 -5.749 1.00 0.00 H new ATOM 42 N MET A 5 -33.161 5.737 -2.419 1.00 0.00 N ATOM 43 CA MET A 5 -33.348 7.074 -1.815 1.00 0.00 C ATOM 44 C MET A 5 -33.182 7.168 -0.278 1.00 0.00 C ATOM 45 O MET A 5 -33.366 8.242 0.294 1.00 0.00 O ATOM 46 CB MET A 5 -34.667 7.719 -2.294 1.00 0.00 C ATOM 47 CG MET A 5 -34.775 7.785 -3.825 1.00 0.00 C ATOM 48 SD MET A 5 -36.236 8.662 -4.459 1.00 0.00 S ATOM 49 CE MET A 5 -35.810 10.376 -4.043 1.00 0.00 C ATOM 0 H MET A 5 -32.414 5.737 -3.114 1.00 0.00 H new ATOM 0 HA MET A 5 -32.503 7.653 -2.188 1.00 0.00 H new ATOM 0 HB2 MET A 5 -35.509 7.150 -1.899 1.00 0.00 H new ATOM 0 HB3 MET A 5 -34.743 8.727 -1.885 1.00 0.00 H new ATOM 0 HG2 MET A 5 -33.881 8.271 -4.216 1.00 0.00 H new ATOM 0 HG3 MET A 5 -34.783 6.768 -4.217 1.00 0.00 H new ATOM 0 HE1 MET A 5 -36.538 11.051 -4.492 1.00 0.00 H new ATOM 0 HE2 MET A 5 -35.819 10.501 -2.960 1.00 0.00 H new ATOM 0 HE3 MET A 5 -34.816 10.607 -4.426 1.00 0.00 H new ATOM 59 N ASN A 6 -32.791 6.085 0.403 1.00 0.00 N ATOM 60 CA ASN A 6 -32.561 6.049 1.856 1.00 0.00 C ATOM 61 C ASN A 6 -31.119 6.417 2.272 1.00 0.00 C ATOM 62 O ASN A 6 -30.767 6.284 3.448 1.00 0.00 O ATOM 63 CB ASN A 6 -32.993 4.673 2.391 1.00 0.00 C ATOM 64 CG ASN A 6 -34.464 4.336 2.171 1.00 0.00 C ATOM 65 OD1 ASN A 6 -35.335 5.195 2.082 1.00 0.00 O ATOM 66 ND2 ASN A 6 -34.789 3.063 2.108 1.00 0.00 N ATOM 0 H ASN A 6 -32.621 5.187 -0.049 1.00 0.00 H new ATOM 0 HA ASN A 6 -33.172 6.828 2.312 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -32.383 3.905 1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -32.781 4.631 3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -35.764 2.791 1.985 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -34.066 2.348 2.182 1.00 0.00 H new ATOM 73 N LYS A 7 -30.289 6.876 1.321 1.00 0.00 N ATOM 74 CA LYS A 7 -28.850 7.201 1.473 1.00 0.00 C ATOM 75 C LYS A 7 -28.013 6.016 2.001 1.00 0.00 C ATOM 76 O LYS A 7 -27.557 6.052 3.146 1.00 0.00 O ATOM 77 CB LYS A 7 -28.670 8.497 2.293 1.00 0.00 C ATOM 78 CG LYS A 7 -29.323 9.716 1.618 1.00 0.00 C ATOM 79 CD LYS A 7 -29.122 10.977 2.468 1.00 0.00 C ATOM 80 CE LYS A 7 -29.766 12.182 1.774 1.00 0.00 C ATOM 81 NZ LYS A 7 -29.595 13.426 2.564 1.00 0.00 N1+ ATOM 0 H LYS A 7 -30.617 7.042 0.369 1.00 0.00 H new ATOM 0 HA LYS A 7 -28.448 7.391 0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -29.103 8.359 3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -27.606 8.690 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -28.891 9.865 0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -30.388 9.533 1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -29.564 10.835 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -28.058 11.159 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -29.322 12.314 0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -30.828 11.990 1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -30.043 14.220 2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -30.040 13.309 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -28.581 13.623 2.687 1.00 0.00 H new ATOM 95 N PRO A 8 -27.807 4.950 1.198 1.00 0.00 N ATOM 96 CA PRO A 8 -26.967 3.798 1.566 1.00 0.00 C ATOM 97 C PRO A 8 -25.455 4.106 1.599 1.00 0.00 C ATOM 98 O PRO A 8 -24.680 3.322 2.153 1.00 0.00 O ATOM 99 CB PRO A 8 -27.305 2.725 0.524 1.00 0.00 C ATOM 100 CG PRO A 8 -27.649 3.543 -0.719 1.00 0.00 C ATOM 101 CD PRO A 8 -28.381 4.746 -0.129 1.00 0.00 C ATOM 0 HA PRO A 8 -27.179 3.481 2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -26.462 2.057 0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -28.143 2.104 0.842 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -26.756 3.841 -1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -28.279 2.984 -1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -28.247 5.630 -0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -29.453 4.559 -0.067 1.00 0.00 H new ATOM 109 N THR A 9 -25.024 5.236 1.024 1.00 0.00 N ATOM 110 CA THR A 9 -23.618 5.681 0.920 1.00 0.00 C ATOM 111 C THR A 9 -23.461 7.164 1.270 1.00 0.00 C ATOM 112 O THR A 9 -24.386 7.958 1.083 1.00 0.00 O ATOM 113 CB THR A 9 -23.039 5.403 -0.483 1.00 0.00 C ATOM 114 OG1 THR A 9 -23.816 6.013 -1.505 1.00 0.00 O ATOM 115 CG2 THR A 9 -22.962 3.909 -0.803 1.00 0.00 C ATOM 0 H THR A 9 -25.671 5.899 0.597 1.00 0.00 H new ATOM 0 HA THR A 9 -23.053 5.100 1.649 1.00 0.00 H new ATOM 0 HB THR A 9 -22.035 5.826 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 9 -23.419 5.817 -2.379 1.00 0.00 H new ATOM 0 HG21 THR A 9 -22.548 3.772 -1.802 1.00 0.00 H new ATOM 0 HG22 THR A 9 -22.322 3.413 -0.073 1.00 0.00 H new ATOM 0 HG23 THR A 9 -23.962 3.476 -0.762 1.00 0.00 H new ATOM 123 N SER A 10 -22.285 7.554 1.774 1.00 0.00 N ATOM 124 CA SER A 10 -21.980 8.922 2.237 1.00 0.00 C ATOM 125 C SER A 10 -20.472 9.225 2.297 1.00 0.00 C ATOM 126 O SER A 10 -19.633 8.317 2.205 1.00 0.00 O ATOM 127 CB SER A 10 -22.607 9.156 3.625 1.00 0.00 C ATOM 128 OG SER A 10 -22.009 8.317 4.605 1.00 0.00 O ATOM 0 H SER A 10 -21.496 6.915 1.876 1.00 0.00 H new ATOM 0 HA SER A 10 -22.410 9.601 1.501 1.00 0.00 H new ATOM 0 HB2 SER A 10 -22.484 10.200 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 10 -23.679 8.962 3.581 1.00 0.00 H new ATOM 0 HG SER A 10 -22.423 8.486 5.477 1.00 0.00 H new ATOM 134 N SER A 11 -20.134 10.509 2.481 1.00 0.00 N ATOM 135 CA SER A 11 -18.798 11.052 2.774 1.00 0.00 C ATOM 136 C SER A 11 -17.663 10.535 1.861 1.00 0.00 C ATOM 137 O SER A 11 -17.702 10.762 0.649 1.00 0.00 O ATOM 138 CB SER A 11 -18.500 10.989 4.289 1.00 0.00 C ATOM 139 OG SER A 11 -18.329 9.667 4.780 1.00 0.00 O ATOM 0 H SER A 11 -20.835 11.248 2.425 1.00 0.00 H new ATOM 0 HA SER A 11 -18.825 12.108 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.598 11.565 4.498 1.00 0.00 H new ATOM 0 HB3 SER A 11 -19.316 11.467 4.832 1.00 0.00 H new ATOM 0 HG SER A 11 -18.142 9.697 5.742 1.00 0.00 H new ATOM 145 N ASP A 12 -16.637 9.881 2.416 1.00 0.00 N ATOM 146 CA ASP A 12 -15.383 9.494 1.753 1.00 0.00 C ATOM 147 C ASP A 12 -15.509 8.231 0.869 1.00 0.00 C ATOM 148 O ASP A 12 -14.748 7.269 1.000 1.00 0.00 O ATOM 149 CB ASP A 12 -14.258 9.353 2.799 1.00 0.00 C ATOM 150 CG ASP A 12 -13.960 10.584 3.668 1.00 0.00 C ATOM 151 OD1 ASP A 12 -14.411 11.715 3.363 1.00 0.00 O ATOM 152 OD2 ASP A 12 -13.211 10.412 4.660 1.00 0.00 O1- ATOM 0 H ASP A 12 -16.659 9.591 3.394 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.128 10.296 1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.511 8.524 3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.342 9.076 2.277 1.00 0.00 H new ATOM 157 N GLY A 13 -16.474 8.220 -0.058 1.00 0.00 N ATOM 158 CA GLY A 13 -16.762 7.081 -0.948 1.00 0.00 C ATOM 159 C GLY A 13 -15.589 6.634 -1.837 1.00 0.00 C ATOM 160 O GLY A 13 -15.545 5.474 -2.257 1.00 0.00 O ATOM 0 H GLY A 13 -17.091 9.017 -0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.078 6.235 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.603 7.345 -1.589 1.00 0.00 H new ATOM 164 N TRP A 14 -14.599 7.506 -2.067 1.00 0.00 N ATOM 165 CA TRP A 14 -13.363 7.162 -2.788 1.00 0.00 C ATOM 166 C TRP A 14 -12.541 6.068 -2.089 1.00 0.00 C ATOM 167 O TRP A 14 -11.877 5.288 -2.771 1.00 0.00 O ATOM 168 CB TRP A 14 -12.519 8.427 -3.007 1.00 0.00 C ATOM 169 CG TRP A 14 -11.757 8.970 -1.830 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.166 9.982 -1.030 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.449 8.556 -1.315 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.210 10.218 -0.056 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.128 9.375 -0.187 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.493 7.588 -1.693 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.927 9.236 0.528 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.295 7.421 -0.969 1.00 0.00 C ATOM 177 CH2 TRP A 14 -8.006 8.250 0.136 1.00 0.00 C ATOM 0 H TRP A 14 -14.632 8.477 -1.757 1.00 0.00 H new ATOM 0 HA TRP A 14 -13.657 6.747 -3.752 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.804 8.220 -3.803 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.181 9.213 -3.370 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.095 10.523 -1.135 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.296 10.929 0.670 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.683 6.964 -2.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.714 9.879 1.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.594 6.654 -1.262 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.080 8.127 0.678 1.00 0.00 H new ATOM 188 N LYS A 15 -12.598 5.972 -0.753 1.00 0.00 N ATOM 189 CA LYS A 15 -11.814 5.011 0.042 1.00 0.00 C ATOM 190 C LYS A 15 -12.230 3.558 -0.195 1.00 0.00 C ATOM 191 O LYS A 15 -11.370 2.683 -0.274 1.00 0.00 O ATOM 192 CB LYS A 15 -11.914 5.369 1.534 1.00 0.00 C ATOM 193 CG LYS A 15 -11.249 6.718 1.841 1.00 0.00 C ATOM 194 CD LYS A 15 -11.359 7.089 3.325 1.00 0.00 C ATOM 195 CE LYS A 15 -10.526 8.346 3.598 1.00 0.00 C ATOM 196 NZ LYS A 15 -10.805 8.933 4.934 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.199 6.568 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.778 5.088 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.962 5.405 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.441 4.587 2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.198 6.678 1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.714 7.497 1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.401 7.265 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.007 6.264 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.467 8.099 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.732 9.089 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.023 9.561 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.690 9.478 4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.898 8.171 5.635 1.00 0.00 H new ATOM 210 N ASP A 16 -13.527 3.298 -0.375 1.00 0.00 N ATOM 211 CA ASP A 16 -14.055 1.964 -0.708 1.00 0.00 C ATOM 212 C ASP A 16 -13.629 1.521 -2.119 1.00 0.00 C ATOM 213 O ASP A 16 -13.253 0.366 -2.323 1.00 0.00 O ATOM 214 CB ASP A 16 -15.587 1.956 -0.597 1.00 0.00 C ATOM 215 CG ASP A 16 -16.143 2.187 0.819 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.403 2.047 1.824 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.357 2.489 0.936 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.251 4.012 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.636 1.256 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.987 2.726 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.957 0.998 -0.963 1.00 0.00 H new ATOM 222 N ASP A 17 -13.629 2.447 -3.083 1.00 0.00 N ATOM 223 CA ASP A 17 -13.100 2.206 -4.434 1.00 0.00 C ATOM 224 C ASP A 17 -11.576 1.992 -4.427 1.00 0.00 C ATOM 225 O ASP A 17 -11.069 1.146 -5.168 1.00 0.00 O ATOM 226 CB ASP A 17 -13.474 3.361 -5.380 1.00 0.00 C ATOM 227 CG ASP A 17 -14.986 3.529 -5.627 1.00 0.00 C ATOM 228 OD1 ASP A 17 -15.395 4.623 -6.091 1.00 0.00 O ATOM 229 OD2 ASP A 17 -15.782 2.578 -5.426 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.997 3.389 -2.950 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.559 1.287 -4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.082 4.291 -4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.979 3.202 -6.338 1.00 0.00 H new ATOM 234 N TYR A 18 -10.836 2.706 -3.568 1.00 0.00 N ATOM 235 CA TYR A 18 -9.394 2.546 -3.416 1.00 0.00 C ATOM 236 C TYR A 18 -9.035 1.172 -2.830 1.00 0.00 C ATOM 237 O TYR A 18 -8.191 0.476 -3.388 1.00 0.00 O ATOM 238 CB TYR A 18 -8.803 3.716 -2.607 1.00 0.00 C ATOM 239 CG TYR A 18 -7.353 4.002 -2.951 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.316 3.761 -2.028 1.00 0.00 C ATOM 241 CD2 TYR A 18 -7.048 4.526 -4.223 1.00 0.00 C ATOM 242 CE1 TYR A 18 -4.981 4.026 -2.385 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.713 4.784 -4.592 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.672 4.517 -3.676 1.00 0.00 C ATOM 245 OH TYR A 18 -3.378 4.729 -4.034 1.00 0.00 O ATOM 0 H TYR A 18 -11.232 3.418 -2.954 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.937 2.577 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.397 4.612 -2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.881 3.491 -1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.546 3.373 -1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.845 4.732 -4.922 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.189 3.854 -1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.487 5.184 -5.570 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.344 5.066 -4.954 1.00 0.00 H new ATOM 255 N LEU A 19 -9.728 0.712 -1.782 1.00 0.00 N ATOM 256 CA LEU A 19 -9.584 -0.669 -1.283 1.00 0.00 C ATOM 257 C LEU A 19 -9.947 -1.710 -2.366 1.00 0.00 C ATOM 258 O LEU A 19 -9.227 -2.691 -2.541 1.00 0.00 O ATOM 259 CB LEU A 19 -10.451 -0.856 -0.018 1.00 0.00 C ATOM 260 CG LEU A 19 -9.661 -0.713 1.297 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.959 0.636 1.458 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.591 -0.927 2.489 1.00 0.00 C ATOM 0 H LEU A 19 -10.398 1.275 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.538 -0.834 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.258 -0.123 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.915 -1.842 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.883 -1.475 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.425 0.657 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.251 0.778 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.699 1.436 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.025 -0.824 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.388 -0.184 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.024 -1.926 2.438 1.00 0.00 H new ATOM 274 N SER A 20 -11.015 -1.473 -3.138 1.00 0.00 N ATOM 275 CA SER A 20 -11.455 -2.380 -4.207 1.00 0.00 C ATOM 276 C SER A 20 -10.373 -2.572 -5.288 1.00 0.00 C ATOM 277 O SER A 20 -10.094 -3.712 -5.681 1.00 0.00 O ATOM 278 CB SER A 20 -12.767 -1.873 -4.830 1.00 0.00 C ATOM 279 OG SER A 20 -13.259 -2.777 -5.806 1.00 0.00 O ATOM 0 H SER A 20 -11.601 -0.644 -3.039 1.00 0.00 H new ATOM 0 HA SER A 20 -11.631 -3.357 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.514 -1.737 -4.048 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.602 -0.897 -5.286 1.00 0.00 H new ATOM 0 HG SER A 20 -14.094 -2.429 -6.183 1.00 0.00 H new ATOM 285 N ARG A 21 -9.709 -1.487 -5.720 1.00 0.00 N ATOM 286 CA ARG A 21 -8.620 -1.545 -6.715 1.00 0.00 C ATOM 287 C ARG A 21 -7.290 -2.055 -6.141 1.00 0.00 C ATOM 288 O ARG A 21 -6.601 -2.817 -6.813 1.00 0.00 O ATOM 289 CB ARG A 21 -8.491 -0.203 -7.464 1.00 0.00 C ATOM 290 CG ARG A 21 -7.745 0.908 -6.710 1.00 0.00 C ATOM 291 CD ARG A 21 -7.709 2.230 -7.486 1.00 0.00 C ATOM 292 NE ARG A 21 -6.918 2.135 -8.734 1.00 0.00 N ATOM 293 CZ ARG A 21 -5.605 2.181 -8.856 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.808 2.332 -7.829 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -5.051 2.084 -10.028 1.00 0.00 N ATOM 0 H ARG A 21 -9.911 -0.543 -5.390 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.897 -2.300 -7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.979 -0.383 -8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.492 0.155 -7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.224 1.071 -5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.725 0.582 -6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.728 2.533 -7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.287 3.009 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.448 2.021 -9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.197 2.419 -6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.798 2.362 -7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.632 1.972 -10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.036 2.120 -10.117 1.00 0.00 H new ATOM 309 N LEU A 22 -6.946 -1.703 -4.900 1.00 0.00 N ATOM 310 CA LEU A 22 -5.706 -2.131 -4.229 1.00 0.00 C ATOM 311 C LEU A 22 -5.620 -3.656 -4.054 1.00 0.00 C ATOM 312 O LEU A 22 -4.545 -4.234 -4.229 1.00 0.00 O ATOM 313 CB LEU A 22 -5.568 -1.431 -2.863 1.00 0.00 C ATOM 314 CG LEU A 22 -4.685 -0.167 -2.825 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.905 0.846 -3.960 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.936 0.542 -1.493 1.00 0.00 C ATOM 0 H LEU A 22 -7.529 -1.101 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.879 -1.837 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.565 -1.161 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.165 -2.150 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.661 -0.520 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.230 1.692 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.705 0.367 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.936 1.198 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.323 1.442 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.989 0.815 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.675 -0.125 -0.671 1.00 0.00 H new ATOM 328 N SER A 23 -6.747 -4.320 -3.786 1.00 0.00 N ATOM 329 CA SER A 23 -6.824 -5.786 -3.694 1.00 0.00 C ATOM 330 C SER A 23 -6.406 -6.517 -4.991 1.00 0.00 C ATOM 331 O SER A 23 -6.035 -7.693 -4.953 1.00 0.00 O ATOM 332 CB SER A 23 -8.248 -6.187 -3.283 1.00 0.00 C ATOM 333 OG SER A 23 -8.313 -7.564 -2.957 1.00 0.00 O ATOM 0 H SER A 23 -7.640 -3.855 -3.625 1.00 0.00 H new ATOM 0 HA SER A 23 -6.103 -6.099 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.565 -5.591 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.940 -5.969 -4.096 1.00 0.00 H new ATOM 0 HG SER A 23 -9.229 -7.796 -2.697 1.00 0.00 H new ATOM 339 N ARG A 24 -6.436 -5.846 -6.155 1.00 0.00 N ATOM 340 CA ARG A 24 -6.091 -6.431 -7.465 1.00 0.00 C ATOM 341 C ARG A 24 -4.583 -6.550 -7.730 1.00 0.00 C ATOM 342 O ARG A 24 -4.190 -7.353 -8.579 1.00 0.00 O ATOM 343 CB ARG A 24 -6.772 -5.629 -8.592 1.00 0.00 C ATOM 344 CG ARG A 24 -8.288 -5.402 -8.442 1.00 0.00 C ATOM 345 CD ARG A 24 -9.117 -6.678 -8.221 1.00 0.00 C ATOM 346 NE ARG A 24 -8.991 -7.647 -9.334 1.00 0.00 N ATOM 347 CZ ARG A 24 -9.647 -7.640 -10.485 1.00 0.00 C ATOM 348 NH1 ARG A 24 -10.513 -6.715 -10.796 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -9.432 -8.577 -11.364 1.00 0.00 N ATOM 0 H ARG A 24 -6.705 -4.864 -6.214 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.465 -7.455 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.285 -4.656 -8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.594 -6.145 -9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.458 -4.727 -7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.655 -4.899 -9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.800 -7.155 -7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.166 -6.407 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.323 -8.406 -9.199 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.708 -5.958 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.995 -6.749 -11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.758 -9.317 -11.166 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.937 -8.571 -12.250 1.00 0.00 H new ATOM 363 N LEU A 25 -3.737 -5.782 -7.038 1.00 0.00 N ATOM 364 CA LEU A 25 -2.279 -5.806 -7.245 1.00 0.00 C ATOM 365 C LEU A 25 -1.627 -7.099 -6.717 1.00 0.00 C ATOM 366 O LEU A 25 -1.993 -7.618 -5.661 1.00 0.00 O ATOM 367 CB LEU A 25 -1.592 -4.576 -6.601 1.00 0.00 C ATOM 368 CG LEU A 25 -1.781 -3.190 -7.254 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.836 -3.217 -8.781 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.013 -2.471 -6.728 1.00 0.00 C ATOM 0 H LEU A 25 -4.039 -5.125 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.131 -5.772 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.941 -4.505 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.522 -4.779 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.883 -2.641 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.970 -2.203 -9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.905 -3.629 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.671 -3.838 -9.104 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.104 -1.501 -7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.900 -3.068 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.919 -2.328 -5.652 1.00 0.00 H new ATOM 382 N SER A 26 -0.613 -7.580 -7.444 1.00 0.00 N ATOM 383 CA SER A 26 0.302 -8.649 -7.013 1.00 0.00 C ATOM 384 C SER A 26 1.292 -8.180 -5.930 1.00 0.00 C ATOM 385 O SER A 26 1.440 -6.975 -5.692 1.00 0.00 O ATOM 386 CB SER A 26 1.055 -9.194 -8.237 1.00 0.00 C ATOM 387 OG SER A 26 1.714 -10.412 -7.929 1.00 0.00 O ATOM 0 H SER A 26 -0.398 -7.228 -8.377 1.00 0.00 H new ATOM 0 HA SER A 26 -0.296 -9.440 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.355 -9.353 -9.058 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.784 -8.458 -8.577 1.00 0.00 H new ATOM 0 HG SER A 26 2.184 -10.740 -8.724 1.00 0.00 H new ATOM 393 N LYS A 27 1.981 -9.118 -5.261 1.00 0.00 N ATOM 394 CA LYS A 27 2.821 -8.875 -4.063 1.00 0.00 C ATOM 395 C LYS A 27 3.962 -7.868 -4.282 1.00 0.00 C ATOM 396 O LYS A 27 4.280 -7.094 -3.381 1.00 0.00 O ATOM 397 CB LYS A 27 3.359 -10.229 -3.563 1.00 0.00 C ATOM 398 CG LYS A 27 3.920 -10.208 -2.128 1.00 0.00 C ATOM 399 CD LYS A 27 2.852 -9.940 -1.050 1.00 0.00 C ATOM 400 CE LYS A 27 3.486 -10.064 0.338 1.00 0.00 C ATOM 401 NZ LYS A 27 2.488 -9.895 1.426 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.973 -10.098 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 27 2.188 -8.407 -3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.556 -10.965 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.144 -10.565 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.401 -11.164 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.692 -9.442 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.430 -8.944 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.031 -10.650 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.963 -11.040 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.270 -9.314 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.979 -9.834 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.944 -9.023 1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.842 -10.710 1.434 1.00 0.00 H new ATOM 415 N ASN A 28 4.551 -7.837 -5.480 1.00 0.00 N ATOM 416 CA ASN A 28 5.582 -6.872 -5.885 1.00 0.00 C ATOM 417 C ASN A 28 4.997 -5.539 -6.410 1.00 0.00 C ATOM 418 O ASN A 28 5.640 -4.491 -6.307 1.00 0.00 O ATOM 419 CB ASN A 28 6.484 -7.558 -6.930 1.00 0.00 C ATOM 420 CG ASN A 28 5.824 -7.800 -8.280 1.00 0.00 C ATOM 421 OD1 ASN A 28 4.675 -8.209 -8.384 1.00 0.00 O ATOM 422 ND2 ASN A 28 6.515 -7.543 -9.370 1.00 0.00 N ATOM 0 H ASN A 28 4.318 -8.501 -6.218 1.00 0.00 H new ATOM 0 HA ASN A 28 6.166 -6.588 -5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.373 -6.946 -7.080 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.820 -8.514 -6.528 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.092 -7.685 -10.287 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.473 -7.202 -9.298 1.00 0.00 H new ATOM 429 N GLN A 29 3.773 -5.546 -6.946 1.00 0.00 N ATOM 430 CA GLN A 29 3.084 -4.351 -7.451 1.00 0.00 C ATOM 431 C GLN A 29 2.554 -3.467 -6.311 1.00 0.00 C ATOM 432 O GLN A 29 2.718 -2.244 -6.348 1.00 0.00 O ATOM 433 CB GLN A 29 1.932 -4.773 -8.381 1.00 0.00 C ATOM 434 CG GLN A 29 2.401 -5.460 -9.674 1.00 0.00 C ATOM 435 CD GLN A 29 1.262 -6.101 -10.472 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.157 -6.326 -9.992 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.483 -6.448 -11.722 1.00 0.00 N ATOM 0 H GLN A 29 3.221 -6.398 -7.044 1.00 0.00 H new ATOM 0 HA GLN A 29 3.808 -3.757 -8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.270 -5.449 -7.840 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.345 -3.892 -8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.907 -4.727 -10.303 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.135 -6.226 -9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.394 -6.272 -12.147 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.744 -6.892 -12.266 1.00 0.00 H new ATOM 446 N LEU A 30 1.973 -4.069 -5.263 1.00 0.00 N ATOM 447 CA LEU A 30 1.538 -3.348 -4.058 1.00 0.00 C ATOM 448 C LEU A 30 2.727 -2.738 -3.293 1.00 0.00 C ATOM 449 O LEU A 30 2.593 -1.652 -2.727 1.00 0.00 O ATOM 450 CB LEU A 30 0.639 -4.253 -3.188 1.00 0.00 C ATOM 451 CG LEU A 30 1.312 -5.461 -2.510 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.885 -5.149 -1.122 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.291 -6.588 -2.339 1.00 0.00 C ATOM 0 H LEU A 30 1.791 -5.072 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 30 0.929 -2.496 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.188 -3.636 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.174 -4.624 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 30 2.138 -5.745 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.343 -6.047 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.637 -4.364 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.083 -4.813 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.769 -7.442 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.535 -6.239 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.089 -6.886 -3.316 1.00 0.00 H new ATOM 465 N MET A 31 3.907 -3.372 -3.338 1.00 0.00 N ATOM 466 CA MET A 31 5.147 -2.802 -2.796 1.00 0.00 C ATOM 467 C MET A 31 5.559 -1.531 -3.540 1.00 0.00 C ATOM 468 O MET A 31 5.813 -0.509 -2.904 1.00 0.00 O ATOM 469 CB MET A 31 6.300 -3.808 -2.886 1.00 0.00 C ATOM 470 CG MET A 31 6.230 -4.914 -1.836 1.00 0.00 C ATOM 471 SD MET A 31 7.484 -6.190 -2.111 1.00 0.00 S ATOM 472 CE MET A 31 6.867 -7.424 -0.952 1.00 0.00 C ATOM 0 H MET A 31 4.028 -4.296 -3.752 1.00 0.00 H new ATOM 0 HA MET A 31 4.945 -2.559 -1.753 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.300 -4.260 -3.878 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.245 -3.275 -2.778 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.364 -4.482 -0.844 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.240 -5.369 -1.854 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.535 -8.286 -0.948 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.824 -6.994 0.049 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.869 -7.740 -1.254 1.00 0.00 H new ATOM 482 N ALA A 32 5.593 -1.574 -4.878 1.00 0.00 N ATOM 483 CA ALA A 32 5.966 -0.425 -5.703 1.00 0.00 C ATOM 484 C ALA A 32 4.996 0.760 -5.519 1.00 0.00 C ATOM 485 O ALA A 32 5.432 1.904 -5.388 1.00 0.00 O ATOM 486 CB ALA A 32 6.034 -0.877 -7.165 1.00 0.00 C ATOM 0 H ALA A 32 5.362 -2.409 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 32 6.944 -0.061 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.311 -0.032 -7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.779 -1.666 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.060 -1.256 -7.474 1.00 0.00 H new ATOM 492 N LEU A 33 3.687 0.482 -5.436 1.00 0.00 N ATOM 493 CA LEU A 33 2.651 1.478 -5.155 1.00 0.00 C ATOM 494 C LEU A 33 2.830 2.128 -3.772 1.00 0.00 C ATOM 495 O LEU A 33 2.854 3.355 -3.662 1.00 0.00 O ATOM 496 CB LEU A 33 1.276 0.796 -5.305 1.00 0.00 C ATOM 497 CG LEU A 33 0.061 1.692 -5.002 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.056 2.865 -5.973 1.00 0.00 C ATOM 499 CD2 LEU A 33 -1.217 0.862 -5.105 1.00 0.00 C ATOM 0 H LEU A 33 3.315 -0.459 -5.565 1.00 0.00 H new ATOM 0 HA LEU A 33 2.730 2.298 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.184 0.420 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.243 -0.069 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 33 0.200 2.091 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.929 3.465 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.840 3.482 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.163 2.487 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.079 1.494 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.306 0.455 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.179 0.044 -4.385 1.00 0.00 H new ATOM 511 N ALA A 34 2.984 1.322 -2.717 1.00 0.00 N ATOM 512 CA ALA A 34 3.152 1.823 -1.357 1.00 0.00 C ATOM 513 C ALA A 34 4.477 2.596 -1.167 1.00 0.00 C ATOM 514 O ALA A 34 4.485 3.636 -0.506 1.00 0.00 O ATOM 515 CB ALA A 34 3.022 0.640 -0.388 1.00 0.00 C ATOM 0 H ALA A 34 2.995 0.304 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 34 2.371 2.553 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.145 0.993 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.038 0.185 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.791 -0.099 -0.611 1.00 0.00 H new ATOM 521 N LEU A 35 5.578 2.155 -1.791 1.00 0.00 N ATOM 522 CA LEU A 35 6.863 2.863 -1.773 1.00 0.00 C ATOM 523 C LEU A 35 6.759 4.222 -2.481 1.00 0.00 C ATOM 524 O LEU A 35 7.174 5.240 -1.924 1.00 0.00 O ATOM 525 CB LEU A 35 7.932 1.944 -2.400 1.00 0.00 C ATOM 526 CG LEU A 35 9.419 2.340 -2.284 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.816 3.588 -3.071 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.852 2.508 -0.830 1.00 0.00 C ATOM 0 H LEU A 35 5.600 1.288 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 35 7.155 3.088 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.819 0.956 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.700 1.844 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 35 9.945 1.500 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.878 3.786 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.617 3.429 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.237 4.441 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.905 2.787 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.254 3.289 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.707 1.569 -0.296 1.00 0.00 H new ATOM 540 N LYS A 36 6.129 4.270 -3.665 1.00 0.00 N ATOM 541 CA LYS A 36 5.860 5.509 -4.413 1.00 0.00 C ATOM 542 C LYS A 36 5.041 6.509 -3.589 1.00 0.00 C ATOM 543 O LYS A 36 5.448 7.663 -3.459 1.00 0.00 O ATOM 544 CB LYS A 36 5.189 5.147 -5.751 1.00 0.00 C ATOM 545 CG LYS A 36 4.854 6.377 -6.611 1.00 0.00 C ATOM 546 CD LYS A 36 4.431 6.011 -8.045 1.00 0.00 C ATOM 547 CE LYS A 36 3.171 5.142 -8.083 1.00 0.00 C ATOM 548 NZ LYS A 36 2.724 4.897 -9.483 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.786 3.434 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 36 6.801 6.016 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.848 4.486 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.273 4.590 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.052 6.939 -6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.723 7.033 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.255 6.925 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.247 5.483 -8.537 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.368 4.190 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.373 5.631 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.869 4.306 -9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.513 5.805 -9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.478 4.409 -10.008 1.00 0.00 H new ATOM 562 N LEU A 37 3.954 6.061 -2.961 1.00 0.00 N ATOM 563 CA LEU A 37 3.159 6.876 -2.033 1.00 0.00 C ATOM 564 C LEU A 37 3.986 7.342 -0.818 1.00 0.00 C ATOM 565 O LEU A 37 3.833 8.487 -0.386 1.00 0.00 O ATOM 566 CB LEU A 37 1.941 6.059 -1.560 1.00 0.00 C ATOM 567 CG LEU A 37 0.614 6.276 -2.314 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.719 6.181 -3.835 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.393 5.224 -1.844 1.00 0.00 C ATOM 0 H LEU A 37 3.595 5.114 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 37 2.831 7.771 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.197 5.002 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.772 6.283 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 37 0.303 7.295 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.263 6.347 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.415 6.937 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.080 5.191 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.338 5.365 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.005 4.228 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.555 5.329 -0.771 1.00 0.00 H new ATOM 581 N LYS A 38 4.870 6.488 -0.275 1.00 0.00 N ATOM 582 CA LYS A 38 5.698 6.811 0.899 1.00 0.00 C ATOM 583 C LYS A 38 6.719 7.909 0.611 1.00 0.00 C ATOM 584 O LYS A 38 6.754 8.897 1.347 1.00 0.00 O ATOM 585 CB LYS A 38 6.367 5.549 1.476 1.00 0.00 C ATOM 586 CG LYS A 38 7.018 5.764 2.858 1.00 0.00 C ATOM 587 CD LYS A 38 5.996 6.195 3.923 1.00 0.00 C ATOM 588 CE LYS A 38 6.635 6.279 5.309 1.00 0.00 C ATOM 589 NZ LYS A 38 5.650 6.731 6.322 1.00 0.00 N1+ ATOM 0 H LYS A 38 5.031 5.549 -0.640 1.00 0.00 H new ATOM 0 HA LYS A 38 5.026 7.208 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.621 4.758 1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.127 5.201 0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.504 4.841 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.797 6.523 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.576 7.165 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.169 5.485 3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.030 5.303 5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.478 6.969 5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.151 7.164 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.009 7.431 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.098 5.916 6.658 1.00 0.00 H new ATOM 603 N GLN A 39 7.507 7.785 -0.459 1.00 0.00 N ATOM 604 CA GLN A 39 8.483 8.818 -0.821 1.00 0.00 C ATOM 605 C GLN A 39 7.796 10.153 -1.170 1.00 0.00 C ATOM 606 O GLN A 39 8.315 11.217 -0.837 1.00 0.00 O ATOM 607 CB GLN A 39 9.436 8.331 -1.930 1.00 0.00 C ATOM 608 CG GLN A 39 8.795 8.091 -3.304 1.00 0.00 C ATOM 609 CD GLN A 39 9.847 7.852 -4.385 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.345 8.771 -5.022 1.00 0.00 O ATOM 611 NE2 GLN A 39 10.229 6.617 -4.637 1.00 0.00 N ATOM 0 H GLN A 39 7.490 6.983 -1.089 1.00 0.00 H new ATOM 0 HA GLN A 39 9.101 9.011 0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.234 9.065 -2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.902 7.402 -1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.128 7.231 -3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.183 8.952 -3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.823 5.841 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.931 6.437 -5.355 1.00 0.00 H new ATOM 620 N GLN A 40 6.589 10.114 -1.751 1.00 0.00 N ATOM 621 CA GLN A 40 5.773 11.306 -2.012 1.00 0.00 C ATOM 622 C GLN A 40 5.378 12.034 -0.714 1.00 0.00 C ATOM 623 O GLN A 40 5.642 13.231 -0.597 1.00 0.00 O ATOM 624 CB GLN A 40 4.531 10.934 -2.834 1.00 0.00 C ATOM 625 CG GLN A 40 4.880 10.699 -4.318 1.00 0.00 C ATOM 626 CD GLN A 40 3.805 9.948 -5.109 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.770 9.526 -4.614 1.00 0.00 O ATOM 628 NE2 GLN A 40 4.004 9.762 -6.395 1.00 0.00 N ATOM 0 H GLN A 40 6.148 9.246 -2.055 1.00 0.00 H new ATOM 0 HA GLN A 40 6.382 12.000 -2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.076 10.034 -2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.791 11.730 -2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.057 11.663 -4.794 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.813 10.139 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.859 10.104 -6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.303 9.276 -6.954 1.00 0.00 H new ATOM 637 N GLN A 41 4.813 11.341 0.284 1.00 0.00 N ATOM 638 CA GLN A 41 4.431 11.982 1.558 1.00 0.00 C ATOM 639 C GLN A 41 5.638 12.471 2.389 1.00 0.00 C ATOM 640 O GLN A 41 5.497 13.420 3.165 1.00 0.00 O ATOM 641 CB GLN A 41 3.479 11.092 2.379 1.00 0.00 C ATOM 642 CG GLN A 41 4.095 9.803 2.946 1.00 0.00 C ATOM 643 CD GLN A 41 3.327 9.206 4.123 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.910 8.731 5.093 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.015 9.201 4.113 1.00 0.00 N ATOM 0 H GLN A 41 4.610 10.343 0.239 1.00 0.00 H new ATOM 0 HA GLN A 41 3.883 12.885 1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.086 11.680 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.631 10.821 1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.152 9.060 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.117 10.011 3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.510 9.590 3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.500 8.808 4.901 1.00 0.00 H new ATOM 654 N LEU A 42 6.819 11.859 2.221 1.00 0.00 N ATOM 655 CA LEU A 42 8.079 12.294 2.847 1.00 0.00 C ATOM 656 C LEU A 42 8.665 13.550 2.174 1.00 0.00 C ATOM 657 O LEU A 42 9.092 14.472 2.870 1.00 0.00 O ATOM 658 CB LEU A 42 9.087 11.123 2.824 1.00 0.00 C ATOM 659 CG LEU A 42 9.127 10.295 4.122 1.00 0.00 C ATOM 660 CD1 LEU A 42 7.779 9.721 4.559 1.00 0.00 C ATOM 661 CD2 LEU A 42 10.097 9.126 3.948 1.00 0.00 C ATOM 0 H LEU A 42 6.929 11.031 1.635 1.00 0.00 H new ATOM 0 HA LEU A 42 7.870 12.574 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.840 10.462 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.083 11.520 2.630 1.00 0.00 H new ATOM 0 HG LEU A 42 9.443 10.992 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.907 9.154 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.074 10.535 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.394 9.064 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.127 8.538 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.763 8.495 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.094 9.510 3.730 1.00 0.00 H new ATOM 673 N GLU A 43 8.655 13.633 0.838 1.00 0.00 N ATOM 674 CA GLU A 43 9.113 14.823 0.092 1.00 0.00 C ATOM 675 C GLU A 43 8.160 16.024 0.250 1.00 0.00 C ATOM 676 O GLU A 43 8.607 17.174 0.277 1.00 0.00 O ATOM 677 CB GLU A 43 9.277 14.480 -1.399 1.00 0.00 C ATOM 678 CG GLU A 43 10.511 13.609 -1.691 1.00 0.00 C ATOM 679 CD GLU A 43 11.852 14.308 -1.396 1.00 0.00 C ATOM 680 OE1 GLU A 43 11.996 15.528 -1.659 1.00 0.00 O ATOM 681 OE2 GLU A 43 12.790 13.637 -0.899 1.00 0.00 O1- ATOM 0 H GLU A 43 8.329 12.876 0.237 1.00 0.00 H new ATOM 0 HA GLU A 43 10.074 15.115 0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.384 13.960 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.350 15.405 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.449 12.697 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.492 13.308 -2.739 1.00 0.00 H new ATOM 688 N GLN A 44 6.857 15.771 0.409 1.00 0.00 N ATOM 689 CA GLN A 44 5.835 16.782 0.713 1.00 0.00 C ATOM 690 C GLN A 44 5.809 17.223 2.200 1.00 0.00 C ATOM 691 O GLN A 44 5.028 18.114 2.554 1.00 0.00 O ATOM 692 CB GLN A 44 4.463 16.237 0.272 1.00 0.00 C ATOM 693 CG GLN A 44 4.321 16.157 -1.261 1.00 0.00 C ATOM 694 CD GLN A 44 2.999 15.561 -1.758 1.00 0.00 C ATOM 695 OE1 GLN A 44 2.674 15.639 -2.940 1.00 0.00 O ATOM 696 NE2 GLN A 44 2.170 14.956 -0.927 1.00 0.00 N ATOM 0 H GLN A 44 6.471 14.830 0.328 1.00 0.00 H new ATOM 0 HA GLN A 44 6.087 17.685 0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.316 15.245 0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.676 16.876 0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.428 17.160 -1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.143 15.560 -1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.409 14.873 0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.291 14.571 -1.273 1.00 0.00 H new ATOM 705 N GLY A 45 6.627 16.612 3.067 1.00 0.00 N ATOM 706 CA GLY A 45 6.752 16.930 4.499 1.00 0.00 C ATOM 707 C GLY A 45 7.324 18.323 4.782 1.00 0.00 C ATOM 708 O GLY A 45 8.434 18.625 4.288 1.00 0.00 O ATOM 709 OXT GLY A 45 6.669 19.100 5.516 1.00 0.00 O1- ATOM 0 H GLY A 45 7.245 15.853 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.770 16.851 4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.390 16.184 4.972 1.00 0.00 H new TER 713 GLY A 45 ATOM 714 N GLY B 101 32.733 15.623 7.520 1.00 0.00 N ATOM 715 CA GLY B 101 31.296 15.715 7.861 1.00 0.00 C ATOM 716 C GLY B 101 31.085 16.360 9.231 1.00 0.00 C ATOM 717 O GLY B 101 31.916 16.162 10.124 1.00 0.00 O ATOM 0 HA2 GLY B 101 30.777 16.297 7.100 1.00 0.00 H new ATOM 0 HA3 GLY B 101 30.855 14.718 7.855 1.00 0.00 H new ATOM 723 N PRO B 102 29.986 17.120 9.433 1.00 0.00 N ATOM 724 CA PRO B 102 29.658 17.826 10.681 1.00 0.00 C ATOM 725 C PRO B 102 29.098 16.877 11.767 1.00 0.00 C ATOM 726 O PRO B 102 27.928 16.951 12.158 1.00 0.00 O ATOM 727 CB PRO B 102 28.680 18.928 10.246 1.00 0.00 C ATOM 728 CG PRO B 102 27.910 18.273 9.100 1.00 0.00 C ATOM 729 CD PRO B 102 28.987 17.431 8.416 1.00 0.00 C ATOM 0 HA PRO B 102 30.536 18.252 11.167 1.00 0.00 H new ATOM 0 HB2 PRO B 102 28.018 19.224 11.060 1.00 0.00 H new ATOM 0 HB3 PRO B 102 29.204 19.826 9.919 1.00 0.00 H new ATOM 0 HG2 PRO B 102 27.085 17.660 9.463 1.00 0.00 H new ATOM 0 HG3 PRO B 102 27.483 19.013 8.423 1.00 0.00 H new ATOM 0 HD2 PRO B 102 28.559 16.518 8.002 1.00 0.00 H new ATOM 0 HD3 PRO B 102 29.436 17.977 7.587 1.00 0.00 H new ATOM 737 N GLY B 103 29.933 15.950 12.242 1.00 0.00 N ATOM 738 CA GLY B 103 29.565 14.914 13.212 1.00 0.00 C ATOM 739 C GLY B 103 28.699 13.781 12.630 1.00 0.00 C ATOM 740 O GLY B 103 28.463 13.701 11.419 1.00 0.00 O ATOM 0 H GLY B 103 30.910 15.897 11.955 1.00 0.00 H new ATOM 0 HA2 GLY B 103 30.475 14.483 13.628 1.00 0.00 H new ATOM 0 HA3 GLY B 103 29.027 15.380 14.037 1.00 0.00 H new ATOM 744 N SER B 104 28.240 12.887 13.511 1.00 0.00 N ATOM 745 CA SER B 104 27.319 11.767 13.220 1.00 0.00 C ATOM 746 C SER B 104 27.811 10.755 12.166 1.00 0.00 C ATOM 747 O SER B 104 26.998 10.086 11.522 1.00 0.00 O ATOM 748 CB SER B 104 25.905 12.292 12.906 1.00 0.00 C ATOM 749 OG SER B 104 25.430 13.176 13.916 1.00 0.00 O ATOM 0 H SER B 104 28.509 12.920 14.494 1.00 0.00 H new ATOM 0 HA SER B 104 27.287 11.180 14.138 1.00 0.00 H new ATOM 0 HB2 SER B 104 25.915 12.809 11.946 1.00 0.00 H new ATOM 0 HB3 SER B 104 25.219 11.451 12.808 1.00 0.00 H new ATOM 0 HG SER B 104 24.532 13.489 13.681 1.00 0.00 H new ATOM 755 N MET B 105 29.127 10.602 11.987 1.00 0.00 N ATOM 756 CA MET B 105 29.733 9.755 10.938 1.00 0.00 C ATOM 757 C MET B 105 29.315 8.274 11.027 1.00 0.00 C ATOM 758 O MET B 105 29.246 7.593 10.003 1.00 0.00 O ATOM 759 CB MET B 105 31.269 9.838 10.991 1.00 0.00 C ATOM 760 CG MET B 105 31.853 11.252 10.853 1.00 0.00 C ATOM 761 SD MET B 105 31.893 12.286 12.347 1.00 0.00 S ATOM 762 CE MET B 105 33.062 11.366 13.381 1.00 0.00 C ATOM 0 H MET B 105 29.818 11.069 12.574 1.00 0.00 H new ATOM 0 HA MET B 105 29.359 10.149 9.993 1.00 0.00 H new ATOM 0 HB2 MET B 105 31.607 9.413 11.936 1.00 0.00 H new ATOM 0 HB3 MET B 105 31.678 9.214 10.196 1.00 0.00 H new ATOM 0 HG2 MET B 105 32.873 11.161 10.478 1.00 0.00 H new ATOM 0 HG3 MET B 105 31.280 11.781 10.092 1.00 0.00 H new ATOM 0 HE1 MET B 105 33.393 11.997 14.206 1.00 0.00 H new ATOM 0 HE2 MET B 105 32.574 10.476 13.779 1.00 0.00 H new ATOM 0 HE3 MET B 105 33.923 11.070 12.782 1.00 0.00 H new ATOM 772 N ASN B 106 29.022 7.780 12.234 1.00 0.00 N ATOM 773 CA ASN B 106 28.584 6.403 12.486 1.00 0.00 C ATOM 774 C ASN B 106 27.167 6.092 11.947 1.00 0.00 C ATOM 775 O ASN B 106 26.878 4.940 11.622 1.00 0.00 O ATOM 776 CB ASN B 106 28.668 6.174 14.009 1.00 0.00 C ATOM 777 CG ASN B 106 28.275 4.762 14.423 1.00 0.00 C ATOM 778 OD1 ASN B 106 27.166 4.509 14.888 1.00 0.00 O ATOM 779 ND2 ASN B 106 29.161 3.802 14.270 1.00 0.00 N ATOM 0 H ASN B 106 29.084 8.340 13.084 1.00 0.00 H new ATOM 0 HA ASN B 106 29.237 5.719 11.944 1.00 0.00 H new ATOM 0 HB2 ASN B 106 29.685 6.375 14.345 1.00 0.00 H new ATOM 0 HB3 ASN B 106 28.018 6.889 14.514 1.00 0.00 H new ATOM 0 HD21 ASN B 106 28.928 2.846 14.537 1.00 0.00 H new ATOM 0 HD22 ASN B 106 30.081 4.014 13.884 1.00 0.00 H new ATOM 786 N LYS B 107 26.296 7.110 11.851 1.00 0.00 N ATOM 787 CA LYS B 107 24.874 6.986 11.458 1.00 0.00 C ATOM 788 C LYS B 107 24.364 8.279 10.787 1.00 0.00 C ATOM 789 O LYS B 107 23.601 9.035 11.399 1.00 0.00 O ATOM 790 CB LYS B 107 24.053 6.559 12.700 1.00 0.00 C ATOM 791 CG LYS B 107 22.641 6.071 12.338 1.00 0.00 C ATOM 792 CD LYS B 107 21.810 5.683 13.570 1.00 0.00 C ATOM 793 CE LYS B 107 22.394 4.476 14.319 1.00 0.00 C ATOM 794 NZ LYS B 107 21.528 4.065 15.457 1.00 0.00 N1+ ATOM 0 H LYS B 107 26.566 8.073 12.050 1.00 0.00 H new ATOM 0 HA LYS B 107 24.754 6.212 10.700 1.00 0.00 H new ATOM 0 HB2 LYS B 107 24.584 5.765 13.226 1.00 0.00 H new ATOM 0 HB3 LYS B 107 23.977 7.401 13.387 1.00 0.00 H new ATOM 0 HG2 LYS B 107 22.121 6.855 11.787 1.00 0.00 H new ATOM 0 HG3 LYS B 107 22.718 5.211 11.672 1.00 0.00 H new ATOM 0 HD2 LYS B 107 21.753 6.534 14.248 1.00 0.00 H new ATOM 0 HD3 LYS B 107 20.791 5.455 13.259 1.00 0.00 H new ATOM 0 HE2 LYS B 107 22.510 3.640 13.629 1.00 0.00 H new ATOM 0 HE3 LYS B 107 23.389 4.724 14.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 21.953 3.248 15.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 21.438 4.855 16.128 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 20.586 3.805 15.100 1.00 0.00 H new ATOM 808 N PRO B 108 24.796 8.587 9.544 1.00 0.00 N ATOM 809 CA PRO B 108 24.369 9.786 8.822 1.00 0.00 C ATOM 810 C PRO B 108 22.878 9.722 8.442 1.00 0.00 C ATOM 811 O PRO B 108 22.394 8.707 7.937 1.00 0.00 O ATOM 812 CB PRO B 108 25.285 9.870 7.595 1.00 0.00 C ATOM 813 CG PRO B 108 25.659 8.414 7.329 1.00 0.00 C ATOM 814 CD PRO B 108 25.731 7.816 8.734 1.00 0.00 C ATOM 0 HA PRO B 108 24.457 10.682 9.437 1.00 0.00 H new ATOM 0 HB2 PRO B 108 24.773 10.315 6.742 1.00 0.00 H new ATOM 0 HB3 PRO B 108 26.166 10.481 7.793 1.00 0.00 H new ATOM 0 HG2 PRO B 108 24.912 7.911 6.714 1.00 0.00 H new ATOM 0 HG3 PRO B 108 26.611 8.331 6.806 1.00 0.00 H new ATOM 0 HD2 PRO B 108 25.460 6.760 8.724 1.00 0.00 H new ATOM 0 HD3 PRO B 108 26.742 7.882 9.135 1.00 0.00 H new ATOM 822 N THR B 109 22.153 10.823 8.662 1.00 0.00 N ATOM 823 CA THR B 109 20.696 10.922 8.421 1.00 0.00 C ATOM 824 C THR B 109 20.322 11.051 6.934 1.00 0.00 C ATOM 825 O THR B 109 19.147 10.939 6.572 1.00 0.00 O ATOM 826 CB THR B 109 20.107 12.086 9.257 1.00 0.00 C ATOM 827 OG1 THR B 109 18.693 12.006 9.343 1.00 0.00 O ATOM 828 CG2 THR B 109 20.469 13.474 8.729 1.00 0.00 C ATOM 0 H THR B 109 22.561 11.688 9.018 1.00 0.00 H new ATOM 0 HA THR B 109 20.253 9.980 8.745 1.00 0.00 H new ATOM 0 HB THR B 109 20.560 11.966 10.241 1.00 0.00 H new ATOM 0 HG1 THR B 109 18.334 11.645 8.506 1.00 0.00 H new ATOM 0 HG21 THR B 109 20.020 14.235 9.367 1.00 0.00 H new ATOM 0 HG22 THR B 109 21.553 13.593 8.730 1.00 0.00 H new ATOM 0 HG23 THR B 109 20.093 13.586 7.712 1.00 0.00 H new ATOM 836 N SER B 110 21.304 11.277 6.055 1.00 0.00 N ATOM 837 CA SER B 110 21.113 11.495 4.608 1.00 0.00 C ATOM 838 C SER B 110 20.864 10.219 3.776 1.00 0.00 C ATOM 839 O SER B 110 20.582 10.322 2.579 1.00 0.00 O ATOM 840 CB SER B 110 22.340 12.242 4.052 1.00 0.00 C ATOM 841 OG SER B 110 23.526 11.481 4.250 1.00 0.00 O ATOM 0 H SER B 110 22.284 11.315 6.334 1.00 0.00 H new ATOM 0 HA SER B 110 20.199 12.080 4.512 1.00 0.00 H new ATOM 0 HB2 SER B 110 22.201 12.438 2.989 1.00 0.00 H new ATOM 0 HB3 SER B 110 22.437 13.210 4.545 1.00 0.00 H new ATOM 0 HG SER B 110 24.294 11.972 3.889 1.00 0.00 H new ATOM 847 N SER B 111 20.957 9.028 4.381 1.00 0.00 N ATOM 848 CA SER B 111 20.826 7.739 3.678 1.00 0.00 C ATOM 849 C SER B 111 19.434 7.515 3.069 1.00 0.00 C ATOM 850 O SER B 111 18.407 7.739 3.717 1.00 0.00 O ATOM 851 CB SER B 111 21.171 6.588 4.629 1.00 0.00 C ATOM 852 OG SER B 111 21.114 5.337 3.957 1.00 0.00 O ATOM 0 H SER B 111 21.127 8.928 5.382 1.00 0.00 H new ATOM 0 HA SER B 111 21.529 7.766 2.846 1.00 0.00 H new ATOM 0 HB2 SER B 111 22.169 6.738 5.041 1.00 0.00 H new ATOM 0 HB3 SER B 111 20.477 6.585 5.469 1.00 0.00 H new ATOM 0 HG SER B 111 20.471 4.752 4.409 1.00 0.00 H new ATOM 858 N ASP B 112 19.397 7.004 1.834 1.00 0.00 N ATOM 859 CA ASP B 112 18.188 6.532 1.135 1.00 0.00 C ATOM 860 C ASP B 112 17.913 5.028 1.358 1.00 0.00 C ATOM 861 O ASP B 112 16.983 4.465 0.772 1.00 0.00 O ATOM 862 CB ASP B 112 18.251 6.880 -0.364 1.00 0.00 C ATOM 863 CG ASP B 112 19.385 6.203 -1.170 1.00 0.00 C ATOM 864 OD1 ASP B 112 20.251 5.497 -0.596 1.00 0.00 O ATOM 865 OD2 ASP B 112 19.425 6.390 -2.408 1.00 0.00 O1- ATOM 0 H ASP B 112 20.239 6.902 1.268 1.00 0.00 H new ATOM 0 HA ASP B 112 17.342 7.061 1.574 1.00 0.00 H new ATOM 0 HB2 ASP B 112 17.298 6.611 -0.820 1.00 0.00 H new ATOM 0 HB3 ASP B 112 18.358 7.960 -0.462 1.00 0.00 H new ATOM 870 N GLY B 113 18.680 4.367 2.231 1.00 0.00 N ATOM 871 CA GLY B 113 18.579 2.924 2.516 1.00 0.00 C ATOM 872 C GLY B 113 17.265 2.477 3.171 1.00 0.00 C ATOM 873 O GLY B 113 16.975 1.278 3.227 1.00 0.00 O ATOM 0 H GLY B 113 19.409 4.829 2.775 1.00 0.00 H new ATOM 0 HA2 GLY B 113 18.706 2.376 1.582 1.00 0.00 H new ATOM 0 HA3 GLY B 113 19.406 2.640 3.167 1.00 0.00 H new ATOM 877 N TRP B 114 16.438 3.426 3.629 1.00 0.00 N ATOM 878 CA TRP B 114 15.113 3.163 4.205 1.00 0.00 C ATOM 879 C TRP B 114 14.160 2.463 3.219 1.00 0.00 C ATOM 880 O TRP B 114 13.281 1.726 3.654 1.00 0.00 O ATOM 881 CB TRP B 114 14.506 4.486 4.698 1.00 0.00 C ATOM 882 CG TRP B 114 14.016 5.448 3.649 1.00 0.00 C ATOM 883 CD1 TRP B 114 14.700 6.515 3.181 1.00 0.00 C ATOM 884 CD2 TRP B 114 12.738 5.454 2.929 1.00 0.00 C ATOM 885 NE1 TRP B 114 13.954 7.165 2.213 1.00 0.00 N ATOM 886 CE2 TRP B 114 12.736 6.550 2.010 1.00 0.00 C ATOM 887 CE3 TRP B 114 11.584 4.638 2.957 1.00 0.00 C ATOM 888 CZ2 TRP B 114 11.651 6.809 1.153 1.00 0.00 C ATOM 889 CZ3 TRP B 114 10.497 4.880 2.089 1.00 0.00 C ATOM 890 CH2 TRP B 114 10.530 5.963 1.193 1.00 0.00 C ATOM 0 H TRP B 114 16.676 4.418 3.609 1.00 0.00 H new ATOM 0 HA TRP B 114 15.244 2.476 5.041 1.00 0.00 H new ATOM 0 HB2 TRP B 114 13.671 4.250 5.357 1.00 0.00 H new ATOM 0 HB3 TRP B 114 15.255 4.997 5.303 1.00 0.00 H new ATOM 0 HD1 TRP B 114 15.683 6.816 3.513 1.00 0.00 H new ATOM 0 HE1 TRP B 114 14.266 7.996 1.711 1.00 0.00 H new ATOM 0 HE3 TRP B 114 11.533 3.815 3.655 1.00 0.00 H new ATOM 0 HZ2 TRP B 114 11.679 7.648 0.473 1.00 0.00 H new ATOM 0 HZ3 TRP B 114 9.635 4.229 2.113 1.00 0.00 H new ATOM 0 HH2 TRP B 114 9.693 6.145 0.535 1.00 0.00 H new ATOM 901 N LYS B 115 14.341 2.657 1.904 1.00 0.00 N ATOM 902 CA LYS B 115 13.471 2.114 0.848 1.00 0.00 C ATOM 903 C LYS B 115 13.501 0.582 0.772 1.00 0.00 C ATOM 904 O LYS B 115 12.454 -0.048 0.611 1.00 0.00 O ATOM 905 CB LYS B 115 13.870 2.721 -0.509 1.00 0.00 C ATOM 906 CG LYS B 115 13.617 4.236 -0.552 1.00 0.00 C ATOM 907 CD LYS B 115 14.062 4.828 -1.888 1.00 0.00 C ATOM 908 CE LYS B 115 13.823 6.343 -1.898 1.00 0.00 C ATOM 909 NZ LYS B 115 14.308 6.966 -3.150 1.00 0.00 N1+ ATOM 0 H LYS B 115 15.115 3.209 1.536 1.00 0.00 H new ATOM 0 HA LYS B 115 12.447 2.391 1.100 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.925 2.523 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.305 2.235 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.557 4.436 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.155 4.721 0.262 1.00 0.00 H new ATOM 0 HD2 LYS B 115 15.118 4.617 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.511 4.360 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.758 6.544 -1.780 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.329 6.797 -1.046 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 14.129 7.990 -3.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.329 6.795 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.807 6.551 -3.961 1.00 0.00 H new ATOM 923 N ASP B 116 14.677 -0.020 0.943 1.00 0.00 N ATOM 924 CA ASP B 116 14.842 -1.486 0.984 1.00 0.00 C ATOM 925 C ASP B 116 14.215 -2.096 2.250 1.00 0.00 C ATOM 926 O ASP B 116 13.562 -3.141 2.183 1.00 0.00 O ATOM 927 CB ASP B 116 16.331 -1.858 0.894 1.00 0.00 C ATOM 928 CG ASP B 116 17.019 -1.462 -0.427 1.00 0.00 C ATOM 929 OD1 ASP B 116 18.279 -1.487 -0.463 1.00 0.00 O ATOM 930 OD2 ASP B 116 16.340 -1.154 -1.435 1.00 0.00 O1- ATOM 0 H ASP B 116 15.552 0.492 1.058 1.00 0.00 H new ATOM 0 HA ASP B 116 14.317 -1.901 0.124 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.860 -1.382 1.719 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.431 -2.935 1.030 1.00 0.00 H new ATOM 935 N ASP B 117 14.351 -1.421 3.396 1.00 0.00 N ATOM 936 CA ASP B 117 13.683 -1.811 4.645 1.00 0.00 C ATOM 937 C ASP B 117 12.155 -1.637 4.562 1.00 0.00 C ATOM 938 O ASP B 117 11.402 -2.443 5.109 1.00 0.00 O ATOM 939 CB ASP B 117 14.261 -0.971 5.797 1.00 0.00 C ATOM 940 CG ASP B 117 13.814 -1.455 7.185 1.00 0.00 C ATOM 941 OD1 ASP B 117 13.607 -0.599 8.080 1.00 0.00 O ATOM 942 OD2 ASP B 117 13.721 -2.683 7.416 1.00 0.00 O1- ATOM 0 H ASP B 117 14.929 -0.586 3.485 1.00 0.00 H new ATOM 0 HA ASP B 117 13.868 -2.870 4.823 1.00 0.00 H new ATOM 0 HB2 ASP B 117 15.349 -0.995 5.745 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.958 0.068 5.667 1.00 0.00 H new ATOM 947 N TYR B 118 11.676 -0.621 3.828 1.00 0.00 N ATOM 948 CA TYR B 118 10.251 -0.410 3.585 1.00 0.00 C ATOM 949 C TYR B 118 9.654 -1.544 2.729 1.00 0.00 C ATOM 950 O TYR B 118 8.653 -2.144 3.116 1.00 0.00 O ATOM 951 CB TYR B 118 9.992 0.988 3.012 1.00 0.00 C ATOM 952 CG TYR B 118 8.605 1.512 3.331 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.624 1.657 2.329 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.294 1.835 4.665 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.327 2.092 2.667 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.002 2.266 5.010 1.00 0.00 C ATOM 957 CZ TYR B 118 6.012 2.380 4.014 1.00 0.00 C ATOM 958 OH TYR B 118 4.755 2.756 4.368 1.00 0.00 O ATOM 0 H TYR B 118 12.274 0.078 3.387 1.00 0.00 H new ATOM 0 HA TYR B 118 9.727 -0.450 4.540 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.736 1.680 3.407 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.124 0.962 1.930 1.00 0.00 H new ATOM 0 HD1 TYR B 118 7.867 1.434 1.301 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.053 1.751 5.428 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.576 2.205 1.899 1.00 0.00 H new ATOM 0 HE2 TYR B 118 6.768 2.509 6.036 1.00 0.00 H new ATOM 0 HH TYR B 118 4.720 2.912 5.335 1.00 0.00 H new ATOM 968 N LEU B 119 10.309 -1.934 1.627 1.00 0.00 N ATOM 969 CA LEU B 119 9.922 -3.115 0.841 1.00 0.00 C ATOM 970 C LEU B 119 9.950 -4.409 1.685 1.00 0.00 C ATOM 971 O LEU B 119 9.047 -5.243 1.554 1.00 0.00 O ATOM 972 CB LEU B 119 10.822 -3.237 -0.401 1.00 0.00 C ATOM 973 CG LEU B 119 10.136 -2.720 -1.678 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.830 -1.222 -1.632 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.992 -2.992 -2.915 1.00 0.00 C ATOM 0 H LEU B 119 11.121 -1.441 1.255 1.00 0.00 H new ATOM 0 HA LEU B 119 8.891 -2.980 0.515 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.743 -2.678 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU B 119 11.104 -4.281 -0.541 1.00 0.00 H new ATOM 0 HG LEU B 119 9.194 -3.264 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.347 -0.921 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU B 119 9.166 -1.012 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.758 -0.665 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.481 -2.615 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.954 -2.490 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.153 -4.065 -3.017 1.00 0.00 H new ATOM 987 N SER B 120 10.934 -4.558 2.582 1.00 0.00 N ATOM 988 CA SER B 120 11.017 -5.700 3.498 1.00 0.00 C ATOM 989 C SER B 120 9.832 -5.768 4.470 1.00 0.00 C ATOM 990 O SER B 120 9.236 -6.838 4.614 1.00 0.00 O ATOM 991 CB SER B 120 12.349 -5.681 4.259 1.00 0.00 C ATOM 992 OG SER B 120 12.455 -6.834 5.087 1.00 0.00 O ATOM 0 H SER B 120 11.695 -3.888 2.692 1.00 0.00 H new ATOM 0 HA SER B 120 10.970 -6.602 2.888 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.180 -5.653 3.554 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.416 -4.779 4.867 1.00 0.00 H new ATOM 0 HG SER B 120 13.309 -6.814 5.568 1.00 0.00 H new ATOM 998 N ARG B 121 9.427 -4.648 5.096 1.00 0.00 N ATOM 999 CA ARG B 121 8.271 -4.625 6.013 1.00 0.00 C ATOM 1000 C ARG B 121 6.920 -4.761 5.300 1.00 0.00 C ATOM 1001 O ARG B 121 6.050 -5.471 5.797 1.00 0.00 O ATOM 1002 CB ARG B 121 8.324 -3.418 6.973 1.00 0.00 C ATOM 1003 CG ARG B 121 7.871 -2.074 6.393 1.00 0.00 C ATOM 1004 CD ARG B 121 7.903 -0.942 7.428 1.00 0.00 C ATOM 1005 NE ARG B 121 6.826 -1.085 8.429 1.00 0.00 N ATOM 1006 CZ ARG B 121 6.924 -1.502 9.678 1.00 0.00 C ATOM 1007 NH1 ARG B 121 8.055 -1.877 10.208 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 5.869 -1.551 10.437 1.00 0.00 N ATOM 0 H ARG B 121 9.885 -3.743 4.983 1.00 0.00 H new ATOM 0 HA ARG B 121 8.355 -5.522 6.627 1.00 0.00 H new ATOM 0 HB2 ARG B 121 7.705 -3.643 7.841 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.348 -3.309 7.331 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.513 -1.811 5.553 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.859 -2.174 6.002 1.00 0.00 H new ATOM 0 HD2 ARG B 121 8.870 -0.937 7.932 1.00 0.00 H new ATOM 0 HD3 ARG B 121 7.803 0.018 6.921 1.00 0.00 H new ATOM 0 HE ARG B 121 5.889 -0.830 8.116 1.00 0.00 H new ATOM 0 HH11 ARG B 121 8.910 -1.855 9.653 1.00 0.00 H new ATOM 0 HH12 ARG B 121 8.084 -2.192 11.178 1.00 0.00 H new ATOM 0 HH21 ARG B 121 4.962 -1.267 10.068 1.00 0.00 H new ATOM 0 HH22 ARG B 121 5.949 -1.874 11.401 1.00 0.00 H new ATOM 1022 N LEU B 122 6.772 -4.179 4.108 1.00 0.00 N ATOM 1023 CA LEU B 122 5.561 -4.284 3.265 1.00 0.00 C ATOM 1024 C LEU B 122 5.229 -5.740 2.879 1.00 0.00 C ATOM 1025 O LEU B 122 4.053 -6.085 2.747 1.00 0.00 O ATOM 1026 CB LEU B 122 5.754 -3.410 2.005 1.00 0.00 C ATOM 1027 CG LEU B 122 5.219 -1.964 2.086 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.391 -1.248 3.427 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.916 -1.121 1.022 1.00 0.00 C ATOM 0 H LEU B 122 7.503 -3.607 3.685 1.00 0.00 H new ATOM 0 HA LEU B 122 4.710 -3.925 3.844 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.819 -3.368 1.778 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.268 -3.908 1.166 1.00 0.00 H new ATOM 0 HG LEU B 122 4.144 -2.062 1.937 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.977 -0.242 3.358 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.868 -1.803 4.206 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.451 -1.188 3.674 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.546 -0.097 1.069 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.991 -1.127 1.200 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.709 -1.536 0.036 1.00 0.00 H new ATOM 1041 N SER B 123 6.241 -6.605 2.757 1.00 0.00 N ATOM 1042 CA SER B 123 6.064 -8.048 2.511 1.00 0.00 C ATOM 1043 C SER B 123 5.323 -8.784 3.639 1.00 0.00 C ATOM 1044 O SER B 123 4.641 -9.779 3.381 1.00 0.00 O ATOM 1045 CB SER B 123 7.441 -8.696 2.283 1.00 0.00 C ATOM 1046 OG SER B 123 7.298 -9.992 1.717 1.00 0.00 O ATOM 0 H SER B 123 7.219 -6.324 2.826 1.00 0.00 H new ATOM 0 HA SER B 123 5.436 -8.141 1.625 1.00 0.00 H new ATOM 0 HB2 SER B 123 8.039 -8.069 1.622 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.978 -8.764 3.229 1.00 0.00 H new ATOM 0 HG SER B 123 8.184 -10.388 1.578 1.00 0.00 H new ATOM 1052 N ARG B 124 5.437 -8.310 4.889 1.00 0.00 N ATOM 1053 CA ARG B 124 4.997 -9.040 6.099 1.00 0.00 C ATOM 1054 C ARG B 124 3.493 -8.938 6.372 1.00 0.00 C ATOM 1055 O ARG B 124 2.931 -9.787 7.065 1.00 0.00 O ATOM 1056 CB ARG B 124 5.778 -8.537 7.328 1.00 0.00 C ATOM 1057 CG ARG B 124 7.291 -8.346 7.121 1.00 0.00 C ATOM 1058 CD ARG B 124 7.999 -9.545 6.488 1.00 0.00 C ATOM 1059 NE ARG B 124 9.414 -9.223 6.206 1.00 0.00 N ATOM 1060 CZ ARG B 124 10.492 -9.938 6.472 1.00 0.00 C ATOM 1061 NH1 ARG B 124 10.434 -11.096 7.061 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 11.667 -9.485 6.138 1.00 0.00 N ATOM 0 H ARG B 124 5.842 -7.397 5.096 1.00 0.00 H new ATOM 0 HA ARG B 124 5.208 -10.093 5.911 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.350 -7.586 7.644 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.627 -9.242 8.146 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.451 -7.471 6.491 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.753 -8.134 8.085 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.942 -10.403 7.158 1.00 0.00 H new ATOM 0 HD3 ARG B 124 7.493 -9.827 5.564 1.00 0.00 H new ATOM 0 HE ARG B 124 9.580 -8.329 5.744 1.00 0.00 H new ATOM 0 HH11 ARG B 124 9.531 -11.484 7.336 1.00 0.00 H new ATOM 0 HH12 ARG B 124 11.291 -11.616 7.248 1.00 0.00 H new ATOM 0 HH21 ARG B 124 11.752 -8.581 5.673 1.00 0.00 H new ATOM 0 HH22 ARG B 124 12.502 -10.034 6.342 1.00 0.00 H new ATOM 1076 N LEU B 125 2.847 -7.900 5.836 1.00 0.00 N ATOM 1077 CA LEU B 125 1.417 -7.628 6.033 1.00 0.00 C ATOM 1078 C LEU B 125 0.506 -8.669 5.347 1.00 0.00 C ATOM 1079 O LEU B 125 0.769 -9.116 4.224 1.00 0.00 O ATOM 1080 CB LEU B 125 1.037 -6.221 5.529 1.00 0.00 C ATOM 1081 CG LEU B 125 1.489 -4.983 6.335 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.619 -5.212 7.842 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.813 -4.438 5.815 1.00 0.00 C ATOM 0 H LEU B 125 3.309 -7.211 5.242 1.00 0.00 H new ATOM 0 HA LEU B 125 1.254 -7.691 7.109 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.433 -6.117 4.519 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.050 -6.183 5.451 1.00 0.00 H new ATOM 0 HG LEU B 125 0.685 -4.262 6.187 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.941 -4.289 8.324 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.654 -5.516 8.248 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.355 -5.994 8.029 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.104 -3.567 6.403 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.581 -5.206 5.900 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.702 -4.150 4.770 1.00 0.00 H new ATOM 1095 N SER B 126 -0.607 -8.987 6.009 1.00 0.00 N ATOM 1096 CA SER B 126 -1.773 -9.667 5.425 1.00 0.00 C ATOM 1097 C SER B 126 -2.537 -8.755 4.453 1.00 0.00 C ATOM 1098 O SER B 126 -2.347 -7.533 4.440 1.00 0.00 O ATOM 1099 CB SER B 126 -2.714 -10.151 6.544 1.00 0.00 C ATOM 1100 OG SER B 126 -2.048 -11.052 7.418 1.00 0.00 O ATOM 0 H SER B 126 -0.730 -8.773 6.999 1.00 0.00 H new ATOM 0 HA SER B 126 -1.409 -10.524 4.858 1.00 0.00 H new ATOM 0 HB2 SER B 126 -3.081 -9.295 7.110 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.584 -10.640 6.106 1.00 0.00 H new ATOM 0 HG SER B 126 -2.666 -11.343 8.120 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.447 -9.330 3.650 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.157 -8.627 2.562 1.00 0.00 C ATOM 1108 C LYS B 127 -4.971 -7.407 3.032 1.00 0.00 C ATOM 1109 O LYS B 127 -4.935 -6.361 2.392 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.038 -9.643 1.811 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.500 -9.172 0.420 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.368 -9.231 -0.624 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.756 -8.609 -1.973 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.872 -9.327 -2.639 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.716 -10.310 3.737 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.406 -8.211 1.891 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.484 -10.575 1.701 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.916 -9.864 2.418 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.331 -9.793 0.086 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.873 -8.150 0.490 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.493 -8.714 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.080 -10.271 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -5.040 -7.568 -1.819 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.887 -8.608 -2.631 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -6.091 -8.864 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -5.595 -10.314 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.713 -9.306 -2.027 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.649 -7.501 4.178 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.353 -6.366 4.798 1.00 0.00 C ATOM 1130 C ASN B 128 -5.387 -5.293 5.352 1.00 0.00 C ATOM 1131 O ASN B 128 -5.627 -4.094 5.203 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.270 -6.928 5.900 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.116 -5.839 6.549 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.846 -5.105 5.896 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.043 -5.695 7.856 1.00 0.00 N ATOM 0 H ASN B 128 -5.728 -8.369 4.708 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.943 -5.852 4.039 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.924 -7.689 5.474 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -6.663 -7.418 6.662 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -8.594 -4.973 8.321 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -7.436 -6.305 8.403 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.280 -5.720 5.963 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.302 -4.844 6.618 1.00 0.00 C ATOM 1144 C GLN B 129 -2.524 -3.983 5.608 1.00 0.00 C ATOM 1145 O GLN B 129 -2.342 -2.784 5.839 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.328 -5.686 7.459 1.00 0.00 C ATOM 1147 CG GLN B 129 -2.981 -6.435 8.633 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.035 -7.438 9.301 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.013 -7.836 8.765 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.361 -7.915 10.485 1.00 0.00 N ATOM 0 H GLN B 129 -4.031 -6.708 6.018 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.853 -4.162 7.266 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.840 -6.412 6.808 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.548 -5.033 7.850 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.319 -5.712 9.376 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -3.866 -6.961 8.275 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.211 -7.594 10.948 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -1.763 -8.605 10.939 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.106 -4.553 4.466 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.436 -3.789 3.397 1.00 0.00 C ATOM 1161 C LEU B 130 -2.365 -2.743 2.757 1.00 0.00 C ATOM 1162 O LEU B 130 -1.902 -1.658 2.396 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.778 -4.734 2.370 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.691 -5.704 1.594 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.315 -5.113 0.328 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.872 -6.933 1.187 1.00 0.00 C ATOM 0 H LEU B 130 -2.220 -5.545 4.257 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.630 -3.214 3.852 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.247 -4.120 1.642 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.028 -5.327 2.894 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.513 -5.948 2.268 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.941 -5.864 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.924 -4.248 0.592 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.525 -4.805 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.507 -7.627 0.637 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.040 -6.623 0.554 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.485 -7.424 2.080 1.00 0.00 H new ATOM 1178 N MET B 131 -3.671 -3.017 2.677 1.00 0.00 N ATOM 1179 CA MET B 131 -4.655 -2.044 2.194 1.00 0.00 C ATOM 1180 C MET B 131 -4.914 -0.926 3.205 1.00 0.00 C ATOM 1181 O MET B 131 -4.964 0.237 2.811 1.00 0.00 O ATOM 1182 CB MET B 131 -5.967 -2.741 1.815 1.00 0.00 C ATOM 1183 CG MET B 131 -5.810 -3.529 0.515 1.00 0.00 C ATOM 1184 SD MET B 131 -7.364 -4.072 -0.238 1.00 0.00 S ATOM 1185 CE MET B 131 -7.675 -5.542 0.770 1.00 0.00 C ATOM 0 H MET B 131 -4.074 -3.915 2.944 1.00 0.00 H new ATOM 0 HA MET B 131 -4.231 -1.580 1.303 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.272 -3.413 2.618 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.758 -2.000 1.702 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.271 -2.912 -0.204 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.192 -4.405 0.710 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.748 -5.655 0.928 1.00 0.00 H new ATOM 0 HE2 MET B 131 -7.289 -6.423 0.257 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.176 -5.435 1.733 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.996 -1.242 4.499 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.125 -0.231 5.554 1.00 0.00 C ATOM 1197 C ALA B 132 -3.904 0.716 5.587 1.00 0.00 C ATOM 1198 O ALA B 132 -4.069 1.932 5.713 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.329 -0.949 6.897 1.00 0.00 C ATOM 0 H ALA B 132 -4.975 -2.201 4.846 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.990 0.400 5.349 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.427 -0.211 7.693 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.233 -1.556 6.852 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.472 -1.591 7.100 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.691 0.180 5.408 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.452 0.950 5.306 1.00 0.00 C ATOM 1207 C LEU B 133 -1.439 1.852 4.064 1.00 0.00 C ATOM 1208 O LEU B 133 -1.205 3.056 4.181 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.253 -0.024 5.335 1.00 0.00 C ATOM 1210 CG LEU B 133 1.134 0.648 5.201 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.421 1.599 6.364 1.00 0.00 C ATOM 1212 CD2 LEU B 133 2.225 -0.424 5.173 1.00 0.00 C ATOM 0 H LEU B 133 -2.543 -0.826 5.328 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.378 1.624 6.159 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.281 -0.584 6.270 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.370 -0.746 4.527 1.00 0.00 H new ATOM 0 HG LEU B 133 1.129 1.222 4.274 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.405 2.050 6.231 1.00 0.00 H new ATOM 0 HD12 LEU B 133 0.663 2.382 6.389 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.400 1.044 7.302 1.00 0.00 H new ATOM 0 HD21 LEU B 133 3.201 0.052 5.079 1.00 0.00 H new ATOM 0 HD22 LEU B 133 2.191 -1.002 6.097 1.00 0.00 H new ATOM 0 HD23 LEU B 133 2.061 -1.087 4.324 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.734 1.308 2.881 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.741 2.069 1.626 1.00 0.00 C ATOM 1226 C ALA B 134 -2.823 3.174 1.614 1.00 0.00 C ATOM 1227 O ALA B 134 -2.577 4.276 1.130 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.904 1.081 0.467 1.00 0.00 C ATOM 0 H ALA B 134 -1.976 0.324 2.764 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.795 2.599 1.519 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.912 1.626 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -1.074 0.375 0.472 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.843 0.538 0.581 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.996 2.916 2.201 1.00 0.00 N ATOM 1235 CA LEU B 135 -5.078 3.897 2.351 1.00 0.00 C ATOM 1236 C LEU B 135 -4.670 5.043 3.295 1.00 0.00 C ATOM 1237 O LEU B 135 -4.856 6.213 2.955 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.336 3.131 2.814 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.690 3.858 2.796 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.822 5.014 3.783 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -8.047 4.361 1.399 1.00 0.00 C ATOM 0 H LEU B 135 -4.225 2.003 2.593 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.297 4.388 1.403 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.430 2.242 2.191 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.158 2.788 3.833 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.392 3.089 3.117 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.813 5.460 3.691 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.684 4.643 4.799 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.064 5.767 3.565 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -9.011 4.869 1.430 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.281 5.057 1.056 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.104 3.517 0.712 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.035 4.729 4.434 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.464 5.722 5.365 1.00 0.00 C ATOM 1255 C LYS B 136 -2.396 6.597 4.700 1.00 0.00 C ATOM 1256 O LYS B 136 -2.384 7.814 4.894 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.884 5.000 6.594 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.632 5.965 7.769 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.622 5.418 8.789 1.00 0.00 C ATOM 1260 CE LYS B 136 -1.971 4.030 9.347 1.00 0.00 C ATOM 1261 NZ LYS B 136 -3.181 4.049 10.215 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.900 3.766 4.741 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.267 6.390 5.676 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.571 4.216 6.911 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -1.949 4.512 6.319 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -2.268 6.916 7.379 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.576 6.168 8.274 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -0.639 5.371 8.319 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -1.545 6.121 9.619 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -2.133 3.340 8.519 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -1.125 3.649 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -3.372 3.089 10.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -3.020 4.686 11.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -3.997 4.386 9.666 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.522 6.003 3.883 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.541 6.727 3.063 1.00 0.00 C ATOM 1277 C LEU B 137 -1.228 7.651 2.049 1.00 0.00 C ATOM 1278 O LEU B 137 -0.820 8.808 1.904 1.00 0.00 O ATOM 1279 CB LEU B 137 0.361 5.710 2.339 1.00 0.00 C ATOM 1280 CG LEU B 137 1.750 5.514 2.967 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.698 5.074 4.429 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.511 4.451 2.177 1.00 0.00 C ATOM 0 H LEU B 137 -1.474 4.991 3.769 1.00 0.00 H new ATOM 0 HA LEU B 137 0.064 7.356 3.717 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.149 4.747 2.314 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.488 6.031 1.305 1.00 0.00 H new ATOM 0 HG LEU B 137 2.247 6.483 2.932 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.712 4.954 4.809 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.176 5.829 5.018 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.168 4.125 4.505 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.498 4.307 2.617 1.00 0.00 H new ATOM 0 HD22 LEU B 137 1.960 3.511 2.207 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.620 4.775 1.142 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.285 7.173 1.377 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.993 7.934 0.342 1.00 0.00 C ATOM 1296 C LYS B 138 -3.702 9.172 0.899 1.00 0.00 C ATOM 1297 O LYS B 138 -3.506 10.264 0.374 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.949 7.019 -0.450 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.482 7.655 -1.749 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.354 8.015 -2.729 1.00 0.00 C ATOM 1301 CE LYS B 138 -3.886 8.471 -4.090 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.769 8.826 -5.002 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.673 6.244 1.538 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.243 8.313 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.430 6.092 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.793 6.753 0.186 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.173 6.964 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.048 8.554 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.741 8.807 -2.298 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.706 7.149 -2.867 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.486 7.677 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.542 9.332 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.118 9.463 -5.747 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.018 9.303 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.387 7.962 -5.436 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.475 9.041 1.981 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.182 10.188 2.569 1.00 0.00 C ATOM 1318 C GLN B 139 -4.223 11.249 3.156 1.00 0.00 C ATOM 1319 O GLN B 139 -4.519 12.443 3.083 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.262 9.725 3.562 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.742 9.130 4.876 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.895 8.682 5.770 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.722 9.464 6.226 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.010 7.402 6.044 1.00 0.00 N ATOM 0 H GLN B 139 -4.628 8.158 2.467 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.700 10.700 1.758 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.902 10.575 3.797 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.888 8.981 3.070 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.092 8.281 4.663 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.138 9.870 5.400 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.331 6.738 5.673 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.779 7.073 6.628 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.039 10.855 3.638 1.00 0.00 N ATOM 1334 CA GLN B 140 -1.981 11.788 4.057 1.00 0.00 C ATOM 1335 C GLN B 140 -1.442 12.636 2.889 1.00 0.00 C ATOM 1336 O GLN B 140 -1.389 13.858 3.003 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.843 11.011 4.738 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.184 10.656 6.193 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.109 9.778 6.831 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.748 10.224 7.578 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.096 8.494 6.543 1.00 0.00 N ATOM 0 H GLN B 140 -2.784 9.874 3.750 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.421 12.487 4.768 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.642 10.097 4.179 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.069 11.607 4.714 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.297 11.572 6.773 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.142 10.138 6.225 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -0.804 8.104 5.921 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.622 7.889 6.942 1.00 0.00 H new ATOM 1350 N GLN B 141 -1.092 12.022 1.753 1.00 0.00 N ATOM 1351 CA GLN B 141 -0.618 12.780 0.582 1.00 0.00 C ATOM 1352 C GLN B 141 -1.719 13.625 -0.097 1.00 0.00 C ATOM 1353 O GLN B 141 -1.403 14.650 -0.703 1.00 0.00 O ATOM 1354 CB GLN B 141 0.124 11.872 -0.410 1.00 0.00 C ATOM 1355 CG GLN B 141 -0.750 10.825 -1.122 1.00 0.00 C ATOM 1356 CD GLN B 141 -0.093 10.261 -2.375 1.00 0.00 C ATOM 1357 OE1 GLN B 141 -0.716 10.127 -3.424 1.00 0.00 O ATOM 1358 NE2 GLN B 141 1.175 9.928 -2.336 1.00 0.00 N ATOM 0 H GLN B 141 -1.126 11.012 1.617 1.00 0.00 H new ATOM 0 HA GLN B 141 0.100 13.508 0.960 1.00 0.00 H new ATOM 0 HB2 GLN B 141 0.600 12.498 -1.165 1.00 0.00 H new ATOM 0 HB3 GLN B 141 0.921 11.354 0.123 1.00 0.00 H new ATOM 0 HG2 GLN B 141 -0.966 10.009 -0.432 1.00 0.00 H new ATOM 0 HG3 GLN B 141 -1.705 11.277 -1.390 1.00 0.00 H new ATOM 0 HE21 GLN B 141 1.704 10.035 -1.470 1.00 0.00 H new ATOM 0 HE22 GLN B 141 1.632 9.562 -3.171 1.00 0.00 H new ATOM 1367 N LEU B 142 -2.995 13.246 0.036 1.00 0.00 N ATOM 1368 CA LEU B 142 -4.148 14.051 -0.402 1.00 0.00 C ATOM 1369 C LEU B 142 -4.374 15.282 0.496 1.00 0.00 C ATOM 1370 O LEU B 142 -4.654 16.367 -0.015 1.00 0.00 O ATOM 1371 CB LEU B 142 -5.411 13.163 -0.460 1.00 0.00 C ATOM 1372 CG LEU B 142 -5.742 12.598 -1.858 1.00 0.00 C ATOM 1373 CD1 LEU B 142 -4.600 11.825 -2.524 1.00 0.00 C ATOM 1374 CD2 LEU B 142 -6.941 11.653 -1.754 1.00 0.00 C ATOM 0 H LEU B 142 -3.263 12.357 0.458 1.00 0.00 H new ATOM 0 HA LEU B 142 -3.933 14.433 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -5.285 12.331 0.232 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -6.263 13.744 -0.107 1.00 0.00 H new ATOM 0 HG LEU B 142 -5.946 13.470 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU B 142 -4.925 11.466 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -3.739 12.482 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -4.323 10.976 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU B 142 -7.176 11.253 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU B 142 -6.700 10.833 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU B 142 -7.802 12.199 -1.369 1.00 0.00 H new ATOM 1386 N GLU B 143 -4.211 15.161 1.821 1.00 0.00 N ATOM 1387 CA GLU B 143 -4.255 16.305 2.753 1.00 0.00 C ATOM 1388 C GLU B 143 -3.087 17.296 2.545 1.00 0.00 C ATOM 1389 O GLU B 143 -3.243 18.503 2.741 1.00 0.00 O ATOM 1390 CB GLU B 143 -4.259 15.798 4.206 1.00 0.00 C ATOM 1391 CG GLU B 143 -5.591 15.170 4.647 1.00 0.00 C ATOM 1392 CD GLU B 143 -6.636 16.199 5.128 1.00 0.00 C ATOM 1393 OE1 GLU B 143 -6.713 17.328 4.582 1.00 0.00 O ATOM 1394 OE2 GLU B 143 -7.413 15.877 6.062 1.00 0.00 O1- ATOM 0 H GLU B 143 -4.044 14.266 2.281 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.176 16.850 2.543 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -3.465 15.061 4.325 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -4.024 16.629 4.870 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -6.009 14.604 3.814 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -5.398 14.459 5.450 1.00 0.00 H new ATOM 1401 N GLN B 144 -1.929 16.806 2.087 1.00 0.00 N ATOM 1402 CA GLN B 144 -0.779 17.621 1.659 1.00 0.00 C ATOM 1403 C GLN B 144 -0.958 18.291 0.273 1.00 0.00 C ATOM 1404 O GLN B 144 -0.119 19.113 -0.116 1.00 0.00 O ATOM 1405 CB GLN B 144 0.479 16.739 1.636 1.00 0.00 C ATOM 1406 CG GLN B 144 0.958 16.304 3.032 1.00 0.00 C ATOM 1407 CD GLN B 144 2.027 15.212 2.975 1.00 0.00 C ATOM 1408 OE1 GLN B 144 2.248 14.554 1.965 1.00 0.00 O ATOM 1409 NE2 GLN B 144 2.744 14.975 4.050 1.00 0.00 N ATOM 0 H GLN B 144 -1.758 15.804 2.000 1.00 0.00 H new ATOM 0 HA GLN B 144 -0.689 18.432 2.381 1.00 0.00 H new ATOM 0 HB2 GLN B 144 0.277 15.850 1.038 1.00 0.00 H new ATOM 0 HB3 GLN B 144 1.283 17.282 1.139 1.00 0.00 H new ATOM 0 HG2 GLN B 144 1.357 17.170 3.561 1.00 0.00 H new ATOM 0 HG3 GLN B 144 0.106 15.943 3.608 1.00 0.00 H new ATOM 0 HE21 GLN B 144 2.578 15.510 4.902 1.00 0.00 H new ATOM 0 HE22 GLN B 144 3.467 14.256 4.032 1.00 0.00 H new ATOM 1418 N GLY B 145 -2.017 17.947 -0.479 1.00 0.00 N ATOM 1419 CA GLY B 145 -2.286 18.413 -1.854 1.00 0.00 C ATOM 1420 C GLY B 145 -2.560 19.918 -1.985 1.00 0.00 C ATOM 1421 O GLY B 145 -1.946 20.551 -2.875 1.00 0.00 O ATOM 1422 OXT GLY B 145 -3.407 20.446 -1.229 1.00 0.00 O1- ATOM 0 H GLY B 145 -2.738 17.313 -0.135 1.00 0.00 H new ATOM 0 HA2 GLY B 145 -1.432 18.158 -2.482 1.00 0.00 H new ATOM 0 HA3 GLY B 145 -3.144 17.867 -2.246 1.00 0.00 H new TER 1426 GLY B 145