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 23 SER OG : rot 180:sc= 0.617 USER MOD Set 1.2: B 127 LYS NZ :NH3+ -178:sc= 1 (180deg=0.377) USER MOD Set 1.3: B 131 MET CE :methyl -179:sc= 0 (180deg=-0.000888) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -160:sc= 0.963 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= 1.84 K(o=3.7,f=-1.9) USER MOD Set 2.3: B 140 GLN : amide:sc= 0.875 K(o=3.7,f=-1.9) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -173:sc= 0.874 (180deg=0.841) USER MOD Set 3.2: B 123 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 18 TYR OH : rot 180:sc= 0.419 USER MOD Set 4.2: B 138 LYS NZ :NH3+ -172:sc= 0.00366 (180deg=0) USER MOD Set 5.1: A 7 LYS NZ :NH3+ 171:sc= 0.744 (180deg=0) USER MOD Set 5.2: A 11 SER OG : rot 180:sc= 0.68 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0895 (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= 0 X(o=0,f=-0.003) USER MOD Single : A 9 THR OG1 : rot 85:sc= 0.901 USER MOD Single : A 10 SER OG : rot 180:sc= 0.273 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 81:sc= 0.634 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.561 K(o=0.56,f=-4.2!) USER MOD Single : A 31 MET CE :methyl 145:sc= -0.069 (180deg=-0.266) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.904 K(o=0.9,f=0) USER MOD Single : A 44 GLN : amide:sc= 0.87 K(o=0.87,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=-0.0514) USER MOD Single : B 106 ASN : amide:sc= -0.0735 X(o=-0.073,f=-0.073) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 110 SER OG : rot 180:sc= 0 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 115 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.818) USER MOD Single : B 118 TYR OH : rot 30:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0.451 USER MOD Single : B 126 SER OG : rot 180:sc=-0.000138 USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : B 129 GLN : amide:sc= 0.489 K(o=0.49,f=-3.8!) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 141 GLN : amide:sc= 1.41 K(o=1.4,f=-0.25) USER MOD Single : B 144 GLN : amide:sc= 0.626 K(o=0.63,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.877 22.265 3.124 1.00 0.00 N ATOM 2 CA GLY A 1 -24.226 22.671 2.679 1.00 0.00 C ATOM 3 C GLY A 1 -25.010 21.507 2.074 1.00 0.00 C ATOM 4 O GLY A 1 -24.594 20.347 2.212 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.758 22.500 4.130 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.762 21.240 2.992 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.160 22.769 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.779 23.078 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.139 23.470 1.942 1.00 0.00 H new ATOM 10 N PRO A 2 -26.149 21.779 1.409 1.00 0.00 N ATOM 11 CA PRO A 2 -27.009 20.755 0.799 1.00 0.00 C ATOM 12 C PRO A 2 -26.302 19.891 -0.264 1.00 0.00 C ATOM 13 O PRO A 2 -25.331 20.318 -0.897 1.00 0.00 O ATOM 14 CB PRO A 2 -28.199 21.513 0.195 1.00 0.00 C ATOM 15 CG PRO A 2 -28.273 22.785 1.039 1.00 0.00 C ATOM 16 CD PRO A 2 -26.800 23.080 1.317 1.00 0.00 C ATOM 0 HA PRO A 2 -27.315 20.037 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -28.038 21.739 -0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -29.120 20.933 0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -28.757 23.601 0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -28.837 22.630 1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -26.363 23.681 0.519 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -26.681 23.644 2.242 1.00 0.00 H new ATOM 24 N GLY A 3 -26.817 18.680 -0.486 1.00 0.00 N ATOM 25 CA GLY A 3 -26.318 17.755 -1.510 1.00 0.00 C ATOM 26 C GLY A 3 -26.524 18.264 -2.943 1.00 0.00 C ATOM 27 O GLY A 3 -27.502 18.962 -3.234 1.00 0.00 O ATOM 0 H GLY A 3 -27.603 18.308 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -25.255 17.580 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -26.821 16.794 -1.398 1.00 0.00 H new ATOM 31 N SER A 4 -25.601 17.916 -3.846 1.00 0.00 N ATOM 32 CA SER A 4 -25.635 18.295 -5.270 1.00 0.00 C ATOM 33 C SER A 4 -26.602 17.398 -6.067 1.00 0.00 C ATOM 34 O SER A 4 -26.193 16.451 -6.745 1.00 0.00 O ATOM 35 CB SER A 4 -24.209 18.296 -5.844 1.00 0.00 C ATOM 36 OG SER A 4 -24.166 18.857 -7.149 1.00 0.00 O ATOM 0 H SER A 4 -24.788 17.349 -3.605 1.00 0.00 H new ATOM 0 HA SER A 4 -26.026 19.308 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 4 -23.552 18.861 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 4 -23.829 17.275 -5.875 1.00 0.00 H new ATOM 0 HG SER A 4 -23.244 18.842 -7.481 1.00 0.00 H new ATOM 42 N MET A 5 -27.903 17.672 -5.921 1.00 0.00 N ATOM 43 CA MET A 5 -29.053 16.993 -6.548 1.00 0.00 C ATOM 44 C MET A 5 -29.055 15.464 -6.363 1.00 0.00 C ATOM 45 O MET A 5 -29.609 14.958 -5.384 1.00 0.00 O ATOM 46 CB MET A 5 -29.251 17.480 -7.997 1.00 0.00 C ATOM 47 CG MET A 5 -30.497 16.893 -8.672 1.00 0.00 C ATOM 48 SD MET A 5 -32.073 17.270 -7.856 1.00 0.00 S ATOM 49 CE MET A 5 -33.190 16.321 -8.922 1.00 0.00 C ATOM 0 H MET A 5 -28.208 18.433 -5.315 1.00 0.00 H new ATOM 0 HA MET A 5 -29.949 17.292 -6.003 1.00 0.00 H new ATOM 0 HB2 MET A 5 -29.323 18.568 -8.000 1.00 0.00 H new ATOM 0 HB3 MET A 5 -28.371 17.217 -8.584 1.00 0.00 H new ATOM 0 HG2 MET A 5 -30.541 17.260 -9.697 1.00 0.00 H new ATOM 0 HG3 MET A 5 -30.385 15.810 -8.725 1.00 0.00 H new ATOM 0 HE1 MET A 5 -34.215 16.435 -8.568 1.00 0.00 H new ATOM 0 HE2 MET A 5 -33.116 16.689 -9.945 1.00 0.00 H new ATOM 0 HE3 MET A 5 -32.912 15.267 -8.894 1.00 0.00 H new ATOM 59 N ASN A 6 -28.435 14.718 -7.284 1.00 0.00 N ATOM 60 CA ASN A 6 -28.311 13.255 -7.219 1.00 0.00 C ATOM 61 C ASN A 6 -27.338 12.787 -6.116 1.00 0.00 C ATOM 62 O ASN A 6 -27.500 11.692 -5.575 1.00 0.00 O ATOM 63 CB ASN A 6 -27.856 12.736 -8.596 1.00 0.00 C ATOM 64 CG ASN A 6 -28.790 13.129 -9.728 1.00 0.00 C ATOM 65 OD1 ASN A 6 -28.626 14.154 -10.375 1.00 0.00 O ATOM 66 ND2 ASN A 6 -29.799 12.331 -10.011 1.00 0.00 N ATOM 0 H ASN A 6 -27.996 15.121 -8.112 1.00 0.00 H new ATOM 0 HA ASN A 6 -29.286 12.843 -6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -26.858 13.119 -8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -27.779 11.649 -8.559 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -30.440 12.569 -10.768 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -29.939 11.475 -9.474 1.00 0.00 H new ATOM 73 N LYS A 7 -26.326 13.603 -5.777 1.00 0.00 N ATOM 74 CA LYS A 7 -25.320 13.325 -4.738 1.00 0.00 C ATOM 75 C LYS A 7 -25.782 13.818 -3.346 1.00 0.00 C ATOM 76 O LYS A 7 -26.336 14.920 -3.261 1.00 0.00 O ATOM 77 CB LYS A 7 -23.980 13.972 -5.150 1.00 0.00 C ATOM 78 CG LYS A 7 -22.807 13.482 -4.286 1.00 0.00 C ATOM 79 CD LYS A 7 -21.468 14.047 -4.779 1.00 0.00 C ATOM 80 CE LYS A 7 -20.342 13.536 -3.874 1.00 0.00 C ATOM 81 NZ LYS A 7 -19.013 13.989 -4.352 1.00 0.00 N1+ ATOM 0 H LYS A 7 -26.181 14.504 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.187 12.246 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -23.777 13.746 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -24.062 15.056 -5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -22.969 13.779 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -22.772 12.393 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.289 13.742 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -21.493 15.137 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -20.503 13.889 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -20.366 12.447 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -18.291 13.758 -3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -18.784 13.510 -5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -19.031 15.017 -4.505 1.00 0.00 H new ATOM 95 N PRO A 8 -25.530 13.068 -2.255 1.00 0.00 N ATOM 96 CA PRO A 8 -25.718 13.532 -0.873 1.00 0.00 C ATOM 97 C PRO A 8 -24.841 14.742 -0.487 1.00 0.00 C ATOM 98 O PRO A 8 -24.006 15.213 -1.265 1.00 0.00 O ATOM 99 CB PRO A 8 -25.373 12.323 0.011 1.00 0.00 C ATOM 100 CG PRO A 8 -25.637 11.124 -0.894 1.00 0.00 C ATOM 101 CD PRO A 8 -25.185 11.654 -2.249 1.00 0.00 C ATOM 0 HA PRO A 8 -26.741 13.886 -0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -24.335 12.353 0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -25.993 12.292 0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -25.068 10.246 -0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -26.689 10.837 -0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -24.113 11.512 -2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -25.684 11.126 -3.062 1.00 0.00 H new ATOM 109 N THR A 9 -25.007 15.252 0.741 1.00 0.00 N ATOM 110 CA THR A 9 -24.101 16.248 1.360 1.00 0.00 C ATOM 111 C THR A 9 -22.668 15.700 1.521 1.00 0.00 C ATOM 112 O THR A 9 -22.467 14.491 1.677 1.00 0.00 O ATOM 113 CB THR A 9 -24.668 16.747 2.701 1.00 0.00 C ATOM 114 OG1 THR A 9 -23.867 17.782 3.233 1.00 0.00 O ATOM 115 CG2 THR A 9 -24.750 15.669 3.788 1.00 0.00 C ATOM 0 H THR A 9 -25.783 14.985 1.346 1.00 0.00 H new ATOM 0 HA THR A 9 -24.039 17.100 0.684 1.00 0.00 H new ATOM 0 HB THR A 9 -25.675 17.084 2.456 1.00 0.00 H new ATOM 0 HG1 THR A 9 -24.139 18.639 2.843 1.00 0.00 H new ATOM 0 HG21 THR A 9 -25.160 16.103 4.700 1.00 0.00 H new ATOM 0 HG22 THR A 9 -25.396 14.859 3.449 1.00 0.00 H new ATOM 0 HG23 THR A 9 -23.753 15.278 3.988 1.00 0.00 H new ATOM 123 N SER A 10 -21.663 16.591 1.498 1.00 0.00 N ATOM 124 CA SER A 10 -20.224 16.266 1.567 1.00 0.00 C ATOM 125 C SER A 10 -19.762 15.304 0.443 1.00 0.00 C ATOM 126 O SER A 10 -20.393 15.216 -0.617 1.00 0.00 O ATOM 127 CB SER A 10 -19.889 15.773 2.989 1.00 0.00 C ATOM 128 OG SER A 10 -18.491 15.779 3.229 1.00 0.00 O ATOM 0 H SER A 10 -21.834 17.594 1.428 1.00 0.00 H new ATOM 0 HA SER A 10 -19.647 17.171 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.387 16.408 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 10 -20.278 14.764 3.126 1.00 0.00 H new ATOM 0 HG SER A 10 -18.314 15.463 4.140 1.00 0.00 H new ATOM 134 N SER A 11 -18.630 14.615 0.623 1.00 0.00 N ATOM 135 CA SER A 11 -18.073 13.635 -0.322 1.00 0.00 C ATOM 136 C SER A 11 -17.283 12.535 0.398 1.00 0.00 C ATOM 137 O SER A 11 -16.463 12.814 1.277 1.00 0.00 O ATOM 138 CB SER A 11 -17.190 14.350 -1.347 1.00 0.00 C ATOM 139 OG SER A 11 -16.848 13.471 -2.410 1.00 0.00 O ATOM 0 H SER A 11 -18.055 14.726 1.458 1.00 0.00 H new ATOM 0 HA SER A 11 -18.903 13.151 -0.836 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.713 15.221 -1.742 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.284 14.715 -0.863 1.00 0.00 H new ATOM 0 HG SER A 11 -16.285 13.944 -3.057 1.00 0.00 H new ATOM 145 N ASP A 12 -17.529 11.276 0.033 1.00 0.00 N ATOM 146 CA ASP A 12 -16.920 10.071 0.614 1.00 0.00 C ATOM 147 C ASP A 12 -16.997 8.870 -0.365 1.00 0.00 C ATOM 148 O ASP A 12 -17.385 9.008 -1.532 1.00 0.00 O ATOM 149 CB ASP A 12 -17.573 9.741 1.981 1.00 0.00 C ATOM 150 CG ASP A 12 -19.073 9.379 1.962 1.00 0.00 C ATOM 151 OD1 ASP A 12 -19.715 9.311 0.884 1.00 0.00 O ATOM 152 OD2 ASP A 12 -19.627 9.141 3.063 1.00 0.00 O1- ATOM 0 H ASP A 12 -18.190 11.054 -0.712 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.862 10.271 0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.028 8.909 2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.438 10.600 2.639 1.00 0.00 H new ATOM 157 N GLY A 13 -16.591 7.678 0.093 1.00 0.00 N ATOM 158 CA GLY A 13 -16.694 6.414 -0.649 1.00 0.00 C ATOM 159 C GLY A 13 -15.522 6.109 -1.594 1.00 0.00 C ATOM 160 O GLY A 13 -15.385 4.973 -2.050 1.00 0.00 O ATOM 0 H GLY A 13 -16.170 7.563 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -16.783 5.598 0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.615 6.428 -1.232 1.00 0.00 H new ATOM 164 N TRP A 14 -14.622 7.072 -1.838 1.00 0.00 N ATOM 165 CA TRP A 14 -13.394 6.853 -2.625 1.00 0.00 C ATOM 166 C TRP A 14 -12.474 5.803 -1.982 1.00 0.00 C ATOM 167 O TRP A 14 -11.782 5.068 -2.686 1.00 0.00 O ATOM 168 CB TRP A 14 -12.658 8.188 -2.828 1.00 0.00 C ATOM 169 CG TRP A 14 -11.912 8.745 -1.643 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.379 9.680 -0.783 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.565 8.412 -1.170 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.424 9.948 0.184 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.281 9.196 -0.009 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.547 7.534 -1.608 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -9.059 9.109 0.679 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.321 7.437 -0.926 1.00 0.00 C ATOM 177 CH2 TRP A 14 -8.074 8.224 0.212 1.00 0.00 C ATOM 0 H TRP A 14 -14.723 8.028 -1.496 1.00 0.00 H new ATOM 0 HA TRP A 14 -13.684 6.457 -3.598 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.949 8.063 -3.646 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.387 8.932 -3.149 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.351 10.147 -0.842 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.549 10.617 0.944 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.714 6.925 -2.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.880 9.715 1.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.564 6.753 -1.279 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.128 8.148 0.727 1.00 0.00 H new ATOM 188 N LYS A 15 -12.498 5.702 -0.646 1.00 0.00 N ATOM 189 CA LYS A 15 -11.682 4.773 0.151 1.00 0.00 C ATOM 190 C LYS A 15 -12.018 3.308 -0.134 1.00 0.00 C ATOM 191 O LYS A 15 -11.116 2.484 -0.254 1.00 0.00 O ATOM 192 CB LYS A 15 -11.859 5.089 1.642 1.00 0.00 C ATOM 193 CG LYS A 15 -11.392 6.506 2.009 1.00 0.00 C ATOM 194 CD LYS A 15 -11.662 6.815 3.485 1.00 0.00 C ATOM 195 CE LYS A 15 -11.037 8.167 3.859 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.321 8.530 5.274 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.106 6.284 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.640 4.914 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.909 4.976 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.300 4.363 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.326 6.605 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.906 7.235 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.736 6.837 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.247 6.026 4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.959 8.126 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.425 8.943 3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.884 9.448 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.349 8.594 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.929 7.802 5.905 1.00 0.00 H new ATOM 210 N ASP A 16 -13.302 2.984 -0.304 1.00 0.00 N ATOM 211 CA ASP A 16 -13.758 1.631 -0.650 1.00 0.00 C ATOM 212 C ASP A 16 -13.323 1.224 -2.069 1.00 0.00 C ATOM 213 O ASP A 16 -12.907 0.089 -2.299 1.00 0.00 O ATOM 214 CB ASP A 16 -15.294 1.528 -0.513 1.00 0.00 C ATOM 215 CG ASP A 16 -15.844 1.790 0.901 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.088 1.728 1.905 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.074 2.019 1.026 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.062 3.657 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.289 0.940 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.753 2.238 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.605 0.532 -0.828 1.00 0.00 H new ATOM 222 N ASP A 17 -13.354 2.163 -3.024 1.00 0.00 N ATOM 223 CA ASP A 17 -12.832 1.964 -4.386 1.00 0.00 C ATOM 224 C ASP A 17 -11.293 1.816 -4.396 1.00 0.00 C ATOM 225 O ASP A 17 -10.749 1.013 -5.152 1.00 0.00 O ATOM 226 CB ASP A 17 -13.286 3.136 -5.275 1.00 0.00 C ATOM 227 CG ASP A 17 -13.003 2.913 -6.771 1.00 0.00 C ATOM 228 OD1 ASP A 17 -13.142 1.770 -7.267 1.00 0.00 O ATOM 229 OD2 ASP A 17 -12.685 3.901 -7.477 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.746 3.092 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.235 1.032 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.355 3.296 -5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.782 4.046 -4.949 1.00 0.00 H new ATOM 234 N TYR A 18 -10.593 2.532 -3.508 1.00 0.00 N ATOM 235 CA TYR A 18 -9.140 2.411 -3.344 1.00 0.00 C ATOM 236 C TYR A 18 -8.751 1.033 -2.771 1.00 0.00 C ATOM 237 O TYR A 18 -7.891 0.354 -3.330 1.00 0.00 O ATOM 238 CB TYR A 18 -8.603 3.573 -2.493 1.00 0.00 C ATOM 239 CG TYR A 18 -7.225 4.041 -2.914 1.00 0.00 C ATOM 240 CD1 TYR A 18 -7.103 4.837 -4.069 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.079 3.677 -2.181 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.834 5.250 -4.508 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.803 4.084 -2.623 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.681 4.857 -3.798 1.00 0.00 C ATOM 245 OH TYR A 18 -3.456 5.199 -4.285 1.00 0.00 O ATOM 0 H TYR A 18 -11.020 3.214 -2.881 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.671 2.477 -4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.298 4.411 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.570 3.263 -1.448 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.986 5.130 -4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.177 3.087 -1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.742 5.868 -5.389 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.922 3.805 -2.064 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.759 4.859 -3.686 1.00 0.00 H new ATOM 255 N LEU A 19 -9.453 0.555 -1.740 1.00 0.00 N ATOM 256 CA LEU A 19 -9.315 -0.818 -1.225 1.00 0.00 C ATOM 257 C LEU A 19 -9.606 -1.874 -2.307 1.00 0.00 C ATOM 258 O LEU A 19 -8.861 -2.847 -2.441 1.00 0.00 O ATOM 259 CB LEU A 19 -10.245 -0.990 -0.001 1.00 0.00 C ATOM 260 CG LEU A 19 -9.542 -0.775 1.354 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.761 0.532 1.489 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.574 -0.819 2.480 1.00 0.00 C ATOM 0 H LEU A 19 -10.140 1.112 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.281 -0.976 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.073 -0.286 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.674 -1.992 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.813 -1.582 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.306 0.584 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.981 0.570 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.438 1.376 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.075 -0.667 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.313 -0.033 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.071 -1.789 2.480 1.00 0.00 H new ATOM 274 N SER A 20 -10.644 -1.662 -3.127 1.00 0.00 N ATOM 275 CA SER A 20 -10.976 -2.542 -4.254 1.00 0.00 C ATOM 276 C SER A 20 -9.855 -2.610 -5.302 1.00 0.00 C ATOM 277 O SER A 20 -9.496 -3.714 -5.722 1.00 0.00 O ATOM 278 CB SER A 20 -12.298 -2.101 -4.891 1.00 0.00 C ATOM 279 OG SER A 20 -12.679 -2.985 -5.938 1.00 0.00 O ATOM 0 H SER A 20 -11.280 -0.871 -3.026 1.00 0.00 H new ATOM 0 HA SER A 20 -11.088 -3.552 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.080 -2.072 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.197 -1.089 -5.283 1.00 0.00 H new ATOM 0 HG SER A 20 -13.106 -3.780 -5.556 1.00 0.00 H new ATOM 285 N ARG A 21 -9.240 -1.479 -5.695 1.00 0.00 N ATOM 286 CA ARG A 21 -8.140 -1.456 -6.678 1.00 0.00 C ATOM 287 C ARG A 21 -6.826 -2.008 -6.116 1.00 0.00 C ATOM 288 O ARG A 21 -6.127 -2.730 -6.818 1.00 0.00 O ATOM 289 CB ARG A 21 -7.990 -0.059 -7.326 1.00 0.00 C ATOM 290 CG ARG A 21 -6.976 0.881 -6.656 1.00 0.00 C ATOM 291 CD ARG A 21 -6.930 2.261 -7.319 1.00 0.00 C ATOM 292 NE ARG A 21 -5.754 3.023 -6.856 1.00 0.00 N ATOM 293 CZ ARG A 21 -4.560 3.059 -7.428 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.286 2.415 -8.530 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -3.595 3.759 -6.905 1.00 0.00 N ATOM 0 H ARG A 21 -9.491 -0.556 -5.341 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.413 -2.143 -7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.701 -0.192 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.965 0.428 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.232 0.996 -5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.985 0.429 -6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.893 2.148 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.841 2.812 -7.087 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.873 3.579 -6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.006 1.855 -8.986 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.352 2.472 -8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.755 4.286 -6.047 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.679 3.780 -7.353 1.00 0.00 H new ATOM 309 N LEU A 22 -6.500 -1.730 -4.846 1.00 0.00 N ATOM 310 CA LEU A 22 -5.279 -2.218 -4.172 1.00 0.00 C ATOM 311 C LEU A 22 -5.220 -3.759 -4.114 1.00 0.00 C ATOM 312 O LEU A 22 -4.137 -4.333 -4.223 1.00 0.00 O ATOM 313 CB LEU A 22 -5.209 -1.607 -2.754 1.00 0.00 C ATOM 314 CG LEU A 22 -4.411 -0.295 -2.614 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.562 0.719 -3.748 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.826 0.389 -1.311 1.00 0.00 C ATOM 0 H LEU A 22 -7.085 -1.150 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.414 -1.900 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.227 -1.427 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.771 -2.347 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.365 -0.601 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.953 1.598 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.233 0.269 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.608 1.014 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.271 1.320 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.894 0.605 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.610 -0.269 -0.470 1.00 0.00 H new ATOM 328 N SER A 23 -6.370 -4.427 -3.995 1.00 0.00 N ATOM 329 CA SER A 23 -6.485 -5.892 -4.001 1.00 0.00 C ATOM 330 C SER A 23 -6.064 -6.556 -5.335 1.00 0.00 C ATOM 331 O SER A 23 -5.675 -7.726 -5.349 1.00 0.00 O ATOM 332 CB SER A 23 -7.926 -6.278 -3.643 1.00 0.00 C ATOM 333 OG SER A 23 -8.033 -7.667 -3.359 1.00 0.00 O ATOM 0 H SER A 23 -7.269 -3.956 -3.889 1.00 0.00 H new ATOM 0 HA SER A 23 -5.783 -6.269 -3.257 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.255 -5.701 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.589 -6.021 -4.469 1.00 0.00 H new ATOM 0 HG SER A 23 -8.961 -7.884 -3.133 1.00 0.00 H new ATOM 339 N ARG A 24 -6.120 -5.833 -6.465 1.00 0.00 N ATOM 340 CA ARG A 24 -5.898 -6.403 -7.815 1.00 0.00 C ATOM 341 C ARG A 24 -4.422 -6.626 -8.155 1.00 0.00 C ATOM 342 O ARG A 24 -4.104 -7.452 -9.014 1.00 0.00 O ATOM 343 CB ARG A 24 -6.520 -5.486 -8.891 1.00 0.00 C ATOM 344 CG ARG A 24 -7.947 -4.987 -8.592 1.00 0.00 C ATOM 345 CD ARG A 24 -8.921 -6.095 -8.205 1.00 0.00 C ATOM 346 NE ARG A 24 -10.230 -5.516 -7.851 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.385 -5.636 -8.480 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.540 -6.374 -9.542 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.432 -5.001 -8.038 1.00 0.00 N ATOM 0 H ARG A 24 -6.321 -4.833 -6.474 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.381 -7.380 -7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.872 -4.620 -9.025 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.533 -6.024 -9.839 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.904 -4.256 -7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.332 -4.469 -9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.036 -6.795 -9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.525 -6.661 -7.362 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.246 -4.945 -7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.748 -6.892 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.453 -6.434 -9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.359 -4.413 -7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.325 -5.092 -8.522 1.00 0.00 H new ATOM 363 N LEU A 25 -3.532 -5.889 -7.496 1.00 0.00 N ATOM 364 CA LEU A 25 -2.080 -5.919 -7.701 1.00 0.00 C ATOM 365 C LEU A 25 -1.428 -7.209 -7.172 1.00 0.00 C ATOM 366 O LEU A 25 -1.840 -7.765 -6.147 1.00 0.00 O ATOM 367 CB LEU A 25 -1.415 -4.681 -7.056 1.00 0.00 C ATOM 368 CG LEU A 25 -1.617 -3.306 -7.725 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.462 -3.328 -9.247 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.966 -2.675 -7.397 1.00 0.00 C ATOM 0 H LEU A 25 -3.811 -5.225 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.917 -5.899 -8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.776 -4.607 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.343 -4.870 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.816 -2.702 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.619 -2.325 -9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.459 -3.668 -9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.198 -4.007 -9.678 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.047 -1.710 -7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.767 -3.330 -7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.049 -2.533 -6.319 1.00 0.00 H new ATOM 382 N SER A 26 -0.362 -7.650 -7.852 1.00 0.00 N ATOM 383 CA SER A 26 0.560 -8.693 -7.380 1.00 0.00 C ATOM 384 C SER A 26 1.379 -8.225 -6.163 1.00 0.00 C ATOM 385 O SER A 26 1.474 -7.023 -5.890 1.00 0.00 O ATOM 386 CB SER A 26 1.485 -9.106 -8.535 1.00 0.00 C ATOM 387 OG SER A 26 2.314 -10.203 -8.188 1.00 0.00 O ATOM 0 H SER A 26 -0.110 -7.282 -8.769 1.00 0.00 H new ATOM 0 HA SER A 26 -0.025 -9.553 -7.054 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.883 -9.368 -9.405 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.107 -8.258 -8.822 1.00 0.00 H new ATOM 0 HG SER A 26 2.885 -10.435 -8.950 1.00 0.00 H new ATOM 393 N LYS A 27 2.014 -9.153 -5.435 1.00 0.00 N ATOM 394 CA LYS A 27 2.778 -8.884 -4.199 1.00 0.00 C ATOM 395 C LYS A 27 3.920 -7.872 -4.394 1.00 0.00 C ATOM 396 O LYS A 27 4.121 -7.010 -3.545 1.00 0.00 O ATOM 397 CB LYS A 27 3.298 -10.218 -3.630 1.00 0.00 C ATOM 398 CG LYS A 27 3.877 -10.120 -2.204 1.00 0.00 C ATOM 399 CD LYS A 27 2.796 -9.930 -1.123 1.00 0.00 C ATOM 400 CE LYS A 27 3.372 -9.646 0.272 1.00 0.00 C ATOM 401 NZ LYS A 27 4.167 -10.776 0.809 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.013 -10.140 -5.692 1.00 0.00 H new ATOM 0 HA LYS A 27 2.101 -8.415 -3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.482 -10.941 -3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.068 -10.607 -4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.445 -11.025 -1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.577 -9.286 -2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.143 -9.107 -1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.177 -10.826 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.000 -8.756 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.555 -9.424 0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.430 -10.577 1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.601 -11.648 0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.028 -10.897 0.238 1.00 0.00 H new ATOM 415 N ASN A 28 4.620 -7.915 -5.529 1.00 0.00 N ATOM 416 CA ASN A 28 5.642 -6.921 -5.874 1.00 0.00 C ATOM 417 C ASN A 28 5.027 -5.552 -6.246 1.00 0.00 C ATOM 418 O ASN A 28 5.545 -4.505 -5.861 1.00 0.00 O ATOM 419 CB ASN A 28 6.494 -7.487 -7.021 1.00 0.00 C ATOM 420 CG ASN A 28 7.659 -6.578 -7.382 1.00 0.00 C ATOM 421 OD1 ASN A 28 8.502 -6.255 -6.554 1.00 0.00 O ATOM 422 ND2 ASN A 28 7.748 -6.134 -8.614 1.00 0.00 N ATOM 0 H ASN A 28 4.495 -8.639 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 28 6.269 -6.735 -5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.876 -8.467 -6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.865 -7.633 -7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.518 -5.521 -8.881 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.047 -6.402 -9.305 1.00 0.00 H new ATOM 429 N GLN A 29 3.908 -5.559 -6.975 1.00 0.00 N ATOM 430 CA GLN A 29 3.243 -4.354 -7.486 1.00 0.00 C ATOM 431 C GLN A 29 2.577 -3.521 -6.381 1.00 0.00 C ATOM 432 O GLN A 29 2.690 -2.291 -6.392 1.00 0.00 O ATOM 433 CB GLN A 29 2.203 -4.753 -8.541 1.00 0.00 C ATOM 434 CG GLN A 29 2.800 -5.388 -9.808 1.00 0.00 C ATOM 435 CD GLN A 29 1.743 -6.009 -10.723 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.628 -6.333 -10.322 1.00 0.00 O ATOM 437 NE2 GLN A 29 2.043 -6.212 -11.987 1.00 0.00 N ATOM 0 H GLN A 29 3.427 -6.421 -7.233 1.00 0.00 H new ATOM 0 HA GLN A 29 4.014 -3.724 -7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.499 -5.455 -8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.633 -3.868 -8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.351 -4.629 -10.363 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.518 -6.156 -9.519 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.963 -5.950 -12.341 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.356 -6.631 -12.613 1.00 0.00 H new ATOM 446 N LEU A 30 1.924 -4.155 -5.396 1.00 0.00 N ATOM 447 CA LEU A 30 1.357 -3.449 -4.230 1.00 0.00 C ATOM 448 C LEU A 30 2.442 -2.760 -3.389 1.00 0.00 C ATOM 449 O LEU A 30 2.206 -1.671 -2.862 1.00 0.00 O ATOM 450 CB LEU A 30 0.453 -4.381 -3.393 1.00 0.00 C ATOM 451 CG LEU A 30 1.099 -5.627 -2.742 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.755 -5.377 -1.376 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.023 -6.700 -2.545 1.00 0.00 C ATOM 0 H LEU A 30 1.773 -5.164 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 30 0.719 -2.650 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.003 -3.785 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.359 -4.723 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 30 1.891 -5.933 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.179 -6.308 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.546 -4.635 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.006 -5.011 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.469 -7.583 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.763 -6.312 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.403 -6.969 -3.511 1.00 0.00 H new ATOM 465 N MET A 31 3.645 -3.338 -3.305 1.00 0.00 N ATOM 466 CA MET A 31 4.776 -2.724 -2.610 1.00 0.00 C ATOM 467 C MET A 31 5.378 -1.561 -3.399 1.00 0.00 C ATOM 468 O MET A 31 5.662 -0.523 -2.804 1.00 0.00 O ATOM 469 CB MET A 31 5.854 -3.762 -2.280 1.00 0.00 C ATOM 470 CG MET A 31 5.356 -4.739 -1.216 1.00 0.00 C ATOM 471 SD MET A 31 6.652 -5.750 -0.462 1.00 0.00 S ATOM 472 CE MET A 31 6.815 -7.047 -1.716 1.00 0.00 C ATOM 0 H MET A 31 3.860 -4.246 -3.718 1.00 0.00 H new ATOM 0 HA MET A 31 4.386 -2.319 -1.676 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.128 -4.308 -3.183 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.754 -3.259 -1.926 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.850 -4.176 -0.432 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.613 -5.398 -1.665 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.857 -7.358 -1.784 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.199 -7.902 -1.438 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.487 -6.663 -2.682 1.00 0.00 H new ATOM 482 N ALA A 32 5.503 -1.682 -4.726 1.00 0.00 N ATOM 483 CA ALA A 32 5.914 -0.580 -5.587 1.00 0.00 C ATOM 484 C ALA A 32 4.959 0.627 -5.480 1.00 0.00 C ATOM 485 O ALA A 32 5.413 1.765 -5.361 1.00 0.00 O ATOM 486 CB ALA A 32 6.024 -1.097 -7.027 1.00 0.00 C ATOM 0 H ALA A 32 5.320 -2.551 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 32 6.888 -0.215 -5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.331 -0.283 -7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.763 -1.897 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.056 -1.479 -7.351 1.00 0.00 H new ATOM 492 N LEU A 33 3.640 0.382 -5.432 1.00 0.00 N ATOM 493 CA LEU A 33 2.620 1.417 -5.217 1.00 0.00 C ATOM 494 C LEU A 33 2.728 2.065 -3.823 1.00 0.00 C ATOM 495 O LEU A 33 2.752 3.292 -3.714 1.00 0.00 O ATOM 496 CB LEU A 33 1.229 0.794 -5.457 1.00 0.00 C ATOM 497 CG LEU A 33 0.050 1.752 -5.195 1.00 0.00 C ATOM 498 CD1 LEU A 33 0.056 2.975 -6.117 1.00 0.00 C ATOM 499 CD2 LEU A 33 -1.269 1.007 -5.405 1.00 0.00 C ATOM 0 H LEU A 33 3.248 -0.553 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 33 2.782 2.228 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.174 0.443 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.120 -0.081 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 33 0.156 2.102 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.798 3.611 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.978 3.537 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.008 2.648 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.103 1.684 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.320 0.640 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.325 0.165 -4.715 1.00 0.00 H new ATOM 511 N ALA A 34 2.827 1.264 -2.759 1.00 0.00 N ATOM 512 CA ALA A 34 2.955 1.767 -1.390 1.00 0.00 C ATOM 513 C ALA A 34 4.259 2.568 -1.179 1.00 0.00 C ATOM 514 O ALA A 34 4.249 3.599 -0.508 1.00 0.00 O ATOM 515 CB ALA A 34 2.838 0.578 -0.428 1.00 0.00 C ATOM 0 H ALA A 34 2.821 0.246 -2.823 1.00 0.00 H new ATOM 0 HA ALA A 34 2.152 2.476 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.931 0.931 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.869 0.097 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.631 -0.140 -0.638 1.00 0.00 H new ATOM 521 N LEU A 35 5.366 2.150 -1.799 1.00 0.00 N ATOM 522 CA LEU A 35 6.649 2.866 -1.796 1.00 0.00 C ATOM 523 C LEU A 35 6.563 4.196 -2.561 1.00 0.00 C ATOM 524 O LEU A 35 7.032 5.225 -2.070 1.00 0.00 O ATOM 525 CB LEU A 35 7.717 1.905 -2.359 1.00 0.00 C ATOM 526 CG LEU A 35 9.204 2.278 -2.195 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.656 3.504 -2.982 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.566 2.472 -0.728 1.00 0.00 C ATOM 0 H LEU A 35 5.398 1.281 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 35 6.927 3.153 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.566 0.932 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.522 1.781 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 35 9.737 1.425 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.716 3.683 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.495 3.333 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.081 4.373 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.621 2.734 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.959 3.273 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.378 1.548 -0.182 1.00 0.00 H new ATOM 540 N LYS A 36 5.897 4.209 -3.725 1.00 0.00 N ATOM 541 CA LYS A 36 5.604 5.422 -4.520 1.00 0.00 C ATOM 542 C LYS A 36 4.750 6.428 -3.742 1.00 0.00 C ATOM 543 O LYS A 36 5.023 7.628 -3.791 1.00 0.00 O ATOM 544 CB LYS A 36 4.946 4.996 -5.847 1.00 0.00 C ATOM 545 CG LYS A 36 4.681 6.170 -6.803 1.00 0.00 C ATOM 546 CD LYS A 36 4.137 5.654 -8.140 1.00 0.00 C ATOM 547 CE LYS A 36 3.833 6.824 -9.085 1.00 0.00 C ATOM 548 NZ LYS A 36 3.345 6.352 -10.407 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.536 3.357 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 36 6.536 5.943 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.588 4.270 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.003 4.493 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.967 6.860 -6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.602 6.728 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.864 4.986 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.232 5.071 -7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.084 7.473 -8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.733 7.424 -9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.150 7.171 -11.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.070 5.753 -10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.472 5.801 -10.278 1.00 0.00 H new ATOM 562 N LEU A 37 3.770 5.963 -2.965 1.00 0.00 N ATOM 563 CA LEU A 37 3.033 6.786 -1.994 1.00 0.00 C ATOM 564 C LEU A 37 3.943 7.281 -0.855 1.00 0.00 C ATOM 565 O LEU A 37 3.831 8.445 -0.464 1.00 0.00 O ATOM 566 CB LEU A 37 1.846 5.975 -1.430 1.00 0.00 C ATOM 567 CG LEU A 37 0.491 6.251 -2.102 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.493 6.067 -3.621 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.545 5.300 -1.505 1.00 0.00 C ATOM 0 H LEU A 37 3.459 4.992 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 37 2.658 7.670 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.073 4.913 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.755 6.186 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 37 0.259 7.299 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.501 6.281 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.216 6.749 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.765 5.040 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.515 5.480 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.241 4.269 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.620 5.471 -0.431 1.00 0.00 H new ATOM 581 N LYS A 38 4.832 6.437 -0.307 1.00 0.00 N ATOM 582 CA LYS A 38 5.676 6.792 0.846 1.00 0.00 C ATOM 583 C LYS A 38 6.688 7.895 0.529 1.00 0.00 C ATOM 584 O LYS A 38 6.771 8.865 1.280 1.00 0.00 O ATOM 585 CB LYS A 38 6.369 5.542 1.424 1.00 0.00 C ATOM 586 CG LYS A 38 7.080 5.790 2.774 1.00 0.00 C ATOM 587 CD LYS A 38 6.113 6.288 3.858 1.00 0.00 C ATOM 588 CE LYS A 38 6.773 6.378 5.230 1.00 0.00 C ATOM 589 NZ LYS A 38 5.783 6.793 6.255 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.986 5.489 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 38 5.011 7.201 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.627 4.754 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.099 5.176 0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.553 4.867 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.875 6.523 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.731 7.269 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.257 5.616 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.201 5.412 5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.595 7.093 5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.281 7.174 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.160 7.525 5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.213 5.971 6.540 1.00 0.00 H new ATOM 603 N GLN A 39 7.416 7.795 -0.587 1.00 0.00 N ATOM 604 CA GLN A 39 8.402 8.816 -0.972 1.00 0.00 C ATOM 605 C GLN A 39 7.758 10.188 -1.255 1.00 0.00 C ATOM 606 O GLN A 39 8.343 11.227 -0.939 1.00 0.00 O ATOM 607 CB GLN A 39 9.264 8.316 -2.146 1.00 0.00 C ATOM 608 CG GLN A 39 8.502 8.144 -3.467 1.00 0.00 C ATOM 609 CD GLN A 39 9.402 7.633 -4.588 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.011 8.396 -5.329 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.530 6.338 -4.765 1.00 0.00 N ATOM 0 H GLN A 39 7.343 7.017 -1.242 1.00 0.00 H new ATOM 0 HA GLN A 39 9.061 8.977 -0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.084 9.017 -2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.710 7.360 -1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.676 7.448 -3.320 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.066 9.099 -3.760 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.031 5.688 -4.158 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.129 5.982 -5.510 1.00 0.00 H new ATOM 620 N GLN A 40 6.524 10.212 -1.776 1.00 0.00 N ATOM 621 CA GLN A 40 5.768 11.440 -2.037 1.00 0.00 C ATOM 622 C GLN A 40 5.403 12.198 -0.754 1.00 0.00 C ATOM 623 O GLN A 40 5.572 13.417 -0.702 1.00 0.00 O ATOM 624 CB GLN A 40 4.502 11.107 -2.840 1.00 0.00 C ATOM 625 CG GLN A 40 4.800 11.003 -4.340 1.00 0.00 C ATOM 626 CD GLN A 40 3.557 10.626 -5.138 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.905 11.458 -5.761 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.180 9.366 -5.153 1.00 0.00 N ATOM 0 H GLN A 40 6.017 9.365 -2.031 1.00 0.00 H new ATOM 0 HA GLN A 40 6.412 12.101 -2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.082 10.166 -2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.749 11.877 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.189 11.955 -4.700 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.578 10.258 -4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.716 8.667 -4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.352 9.088 -5.680 1.00 0.00 H new ATOM 637 N GLN A 41 4.943 11.509 0.297 1.00 0.00 N ATOM 638 CA GLN A 41 4.716 12.151 1.601 1.00 0.00 C ATOM 639 C GLN A 41 6.037 12.538 2.303 1.00 0.00 C ATOM 640 O GLN A 41 6.110 13.594 2.938 1.00 0.00 O ATOM 641 CB GLN A 41 3.784 11.307 2.490 1.00 0.00 C ATOM 642 CG GLN A 41 4.321 9.943 2.950 1.00 0.00 C ATOM 643 CD GLN A 41 3.523 9.329 4.097 1.00 0.00 C ATOM 644 OE1 GLN A 41 4.077 8.803 5.058 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.208 9.388 4.070 1.00 0.00 N ATOM 0 H GLN A 41 4.721 10.514 0.273 1.00 0.00 H new ATOM 0 HA GLN A 41 4.198 13.092 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.536 11.892 3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.853 11.141 1.947 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.314 9.255 2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.360 10.056 3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.733 9.822 3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.664 9.000 4.841 1.00 0.00 H new ATOM 654 N LEU A 42 7.099 11.734 2.161 1.00 0.00 N ATOM 655 CA LEU A 42 8.390 11.959 2.813 1.00 0.00 C ATOM 656 C LEU A 42 9.132 13.210 2.305 1.00 0.00 C ATOM 657 O LEU A 42 9.661 13.983 3.102 1.00 0.00 O ATOM 658 CB LEU A 42 9.234 10.685 2.614 1.00 0.00 C ATOM 659 CG LEU A 42 10.456 10.565 3.540 1.00 0.00 C ATOM 660 CD1 LEU A 42 10.001 10.365 4.987 1.00 0.00 C ATOM 661 CD2 LEU A 42 11.290 9.353 3.132 1.00 0.00 C ATOM 0 H LEU A 42 7.082 10.896 1.580 1.00 0.00 H new ATOM 0 HA LEU A 42 8.218 12.156 3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.594 9.816 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.576 10.651 1.580 1.00 0.00 H new ATOM 0 HG LEU A 42 11.045 11.479 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.874 10.281 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.398 11.217 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.407 9.454 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.156 9.269 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.684 8.451 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.626 9.473 2.102 1.00 0.00 H new ATOM 673 N GLU A 43 9.128 13.454 0.992 1.00 0.00 N ATOM 674 CA GLU A 43 9.761 14.635 0.374 1.00 0.00 C ATOM 675 C GLU A 43 8.992 15.952 0.620 1.00 0.00 C ATOM 676 O GLU A 43 9.582 17.032 0.528 1.00 0.00 O ATOM 677 CB GLU A 43 9.954 14.395 -1.138 1.00 0.00 C ATOM 678 CG GLU A 43 11.023 13.339 -1.459 1.00 0.00 C ATOM 679 CD GLU A 43 12.438 13.720 -0.972 1.00 0.00 C ATOM 680 OE1 GLU A 43 13.170 12.830 -0.474 1.00 0.00 O ATOM 681 OE2 GLU A 43 12.845 14.900 -1.103 1.00 0.00 O1- ATOM 0 H GLU A 43 8.682 12.834 0.316 1.00 0.00 H new ATOM 0 HA GLU A 43 10.729 14.760 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.004 14.083 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.229 15.336 -1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.734 12.392 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.050 13.178 -2.537 1.00 0.00 H new ATOM 688 N GLN A 44 7.702 15.878 0.971 1.00 0.00 N ATOM 689 CA GLN A 44 6.860 17.025 1.343 1.00 0.00 C ATOM 690 C GLN A 44 6.941 17.403 2.844 1.00 0.00 C ATOM 691 O GLN A 44 6.312 18.380 3.261 1.00 0.00 O ATOM 692 CB GLN A 44 5.409 16.759 0.903 1.00 0.00 C ATOM 693 CG GLN A 44 5.255 16.839 -0.625 1.00 0.00 C ATOM 694 CD GLN A 44 3.819 16.558 -1.069 1.00 0.00 C ATOM 695 OE1 GLN A 44 3.009 17.455 -1.274 1.00 0.00 O ATOM 696 NE2 GLN A 44 3.443 15.306 -1.225 1.00 0.00 N ATOM 0 H GLN A 44 7.199 14.991 1.005 1.00 0.00 H new ATOM 0 HA GLN A 44 7.250 17.895 0.815 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.099 15.773 1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.747 17.485 1.374 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.554 17.829 -0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.927 16.122 -1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.107 14.550 -1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.488 15.092 -1.513 1.00 0.00 H new ATOM 705 N GLY A 45 7.714 16.660 3.656 1.00 0.00 N ATOM 706 CA GLY A 45 7.923 16.905 5.098 1.00 0.00 C ATOM 707 C GLY A 45 8.631 18.229 5.408 1.00 0.00 C ATOM 708 O GLY A 45 9.700 18.491 4.807 1.00 0.00 O ATOM 709 OXT GLY A 45 8.127 18.991 6.265 1.00 0.00 O1- ATOM 0 H GLY A 45 8.228 15.846 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.957 16.895 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.508 16.085 5.515 1.00 0.00 H new TER 713 GLY A 45 ATOM 714 N GLY B 101 20.261 -6.130 -1.335 1.00 0.00 N ATOM 715 CA GLY B 101 19.796 -5.074 -0.410 1.00 0.00 C ATOM 716 C GLY B 101 20.950 -4.387 0.319 1.00 0.00 C ATOM 717 O GLY B 101 22.115 -4.755 0.122 1.00 0.00 O ATOM 0 HA2 GLY B 101 19.229 -4.330 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY B 101 19.116 -5.510 0.322 1.00 0.00 H new ATOM 723 N PRO B 102 20.664 -3.378 1.170 1.00 0.00 N ATOM 724 CA PRO B 102 21.673 -2.605 1.903 1.00 0.00 C ATOM 725 C PRO B 102 22.481 -3.441 2.915 1.00 0.00 C ATOM 726 O PRO B 102 21.976 -4.417 3.478 1.00 0.00 O ATOM 727 CB PRO B 102 20.901 -1.478 2.615 1.00 0.00 C ATOM 728 CG PRO B 102 19.602 -1.363 1.820 1.00 0.00 C ATOM 729 CD PRO B 102 19.348 -2.812 1.412 1.00 0.00 C ATOM 0 HA PRO B 102 22.421 -2.225 1.207 1.00 0.00 H new ATOM 0 HB2 PRO B 102 20.710 -1.723 3.660 1.00 0.00 H new ATOM 0 HB3 PRO B 102 21.460 -0.542 2.604 1.00 0.00 H new ATOM 0 HG2 PRO B 102 18.789 -0.961 2.424 1.00 0.00 H new ATOM 0 HG3 PRO B 102 19.710 -0.709 0.955 1.00 0.00 H new ATOM 0 HD2 PRO B 102 18.824 -3.356 2.198 1.00 0.00 H new ATOM 0 HD3 PRO B 102 18.726 -2.866 0.518 1.00 0.00 H new ATOM 737 N GLY B 103 23.729 -3.046 3.178 1.00 0.00 N ATOM 738 CA GLY B 103 24.554 -3.622 4.242 1.00 0.00 C ATOM 739 C GLY B 103 24.082 -3.219 5.650 1.00 0.00 C ATOM 740 O GLY B 103 23.704 -2.065 5.871 1.00 0.00 O ATOM 0 H GLY B 103 24.200 -2.309 2.652 1.00 0.00 H new ATOM 0 HA2 GLY B 103 24.541 -4.709 4.157 1.00 0.00 H new ATOM 0 HA3 GLY B 103 25.588 -3.304 4.106 1.00 0.00 H new ATOM 744 N SER B 104 24.117 -4.155 6.606 1.00 0.00 N ATOM 745 CA SER B 104 23.794 -3.889 8.020 1.00 0.00 C ATOM 746 C SER B 104 25.000 -3.321 8.794 1.00 0.00 C ATOM 747 O SER B 104 26.135 -3.743 8.568 1.00 0.00 O ATOM 748 CB SER B 104 23.289 -5.158 8.727 1.00 0.00 C ATOM 749 OG SER B 104 22.082 -5.627 8.140 1.00 0.00 O ATOM 0 H SER B 104 24.371 -5.126 6.423 1.00 0.00 H new ATOM 0 HA SER B 104 23.002 -3.140 8.017 1.00 0.00 H new ATOM 0 HB2 SER B 104 24.050 -5.936 8.671 1.00 0.00 H new ATOM 0 HB3 SER B 104 23.125 -4.948 9.784 1.00 0.00 H new ATOM 0 HG SER B 104 21.784 -6.435 8.607 1.00 0.00 H new ATOM 755 N MET B 105 24.826 -2.393 9.745 1.00 0.00 N ATOM 756 CA MET B 105 23.571 -1.714 10.116 1.00 0.00 C ATOM 757 C MET B 105 23.140 -0.635 9.101 1.00 0.00 C ATOM 758 O MET B 105 21.947 -0.386 8.948 1.00 0.00 O ATOM 759 CB MET B 105 23.722 -1.073 11.503 1.00 0.00 C ATOM 760 CG MET B 105 23.901 -2.115 12.615 1.00 0.00 C ATOM 761 SD MET B 105 24.101 -1.413 14.284 1.00 0.00 S ATOM 762 CE MET B 105 22.425 -0.798 14.591 1.00 0.00 C ATOM 0 H MET B 105 25.609 -2.073 10.315 1.00 0.00 H new ATOM 0 HA MET B 105 22.792 -2.477 10.123 1.00 0.00 H new ATOM 0 HB2 MET B 105 24.580 -0.401 11.498 1.00 0.00 H new ATOM 0 HB3 MET B 105 22.843 -0.466 11.717 1.00 0.00 H new ATOM 0 HG2 MET B 105 23.037 -2.779 12.615 1.00 0.00 H new ATOM 0 HG3 MET B 105 24.773 -2.727 12.385 1.00 0.00 H new ATOM 0 HE1 MET B 105 22.353 -0.434 15.616 1.00 0.00 H new ATOM 0 HE2 MET B 105 22.204 0.016 13.900 1.00 0.00 H new ATOM 0 HE3 MET B 105 21.708 -1.605 14.442 1.00 0.00 H new ATOM 772 N ASN B 106 24.102 -0.036 8.383 1.00 0.00 N ATOM 773 CA ASN B 106 23.878 0.959 7.321 1.00 0.00 C ATOM 774 C ASN B 106 24.897 0.790 6.177 1.00 0.00 C ATOM 775 O ASN B 106 26.068 0.468 6.422 1.00 0.00 O ATOM 776 CB ASN B 106 23.959 2.384 7.903 1.00 0.00 C ATOM 777 CG ASN B 106 22.924 2.671 8.979 1.00 0.00 C ATOM 778 OD1 ASN B 106 23.150 2.498 10.168 1.00 0.00 O ATOM 779 ND2 ASN B 106 21.756 3.142 8.605 1.00 0.00 N ATOM 0 H ASN B 106 25.091 -0.237 8.530 1.00 0.00 H new ATOM 0 HA ASN B 106 22.881 0.799 6.910 1.00 0.00 H new ATOM 0 HB2 ASN B 106 24.954 2.539 8.320 1.00 0.00 H new ATOM 0 HB3 ASN B 106 23.836 3.104 7.094 1.00 0.00 H new ATOM 0 HD21 ASN B 106 21.046 3.360 9.304 1.00 0.00 H new ATOM 0 HD22 ASN B 106 21.559 3.289 7.615 1.00 0.00 H new ATOM 786 N LYS B 107 24.481 1.057 4.931 1.00 0.00 N ATOM 787 CA LYS B 107 25.359 1.095 3.743 1.00 0.00 C ATOM 788 C LYS B 107 26.254 2.355 3.755 1.00 0.00 C ATOM 789 O LYS B 107 25.741 3.434 4.078 1.00 0.00 O ATOM 790 CB LYS B 107 24.488 1.027 2.476 1.00 0.00 C ATOM 791 CG LYS B 107 25.318 0.788 1.202 1.00 0.00 C ATOM 792 CD LYS B 107 24.433 0.730 -0.049 1.00 0.00 C ATOM 793 CE LYS B 107 25.314 0.546 -1.293 1.00 0.00 C ATOM 794 NZ LYS B 107 24.505 0.512 -2.540 1.00 0.00 N1+ ATOM 0 H LYS B 107 23.505 1.257 4.712 1.00 0.00 H new ATOM 0 HA LYS B 107 26.029 0.235 3.756 1.00 0.00 H new ATOM 0 HB2 LYS B 107 23.756 0.226 2.585 1.00 0.00 H new ATOM 0 HB3 LYS B 107 23.929 1.957 2.373 1.00 0.00 H new ATOM 0 HG2 LYS B 107 26.053 1.586 1.091 1.00 0.00 H new ATOM 0 HG3 LYS B 107 25.873 -0.145 1.299 1.00 0.00 H new ATOM 0 HD2 LYS B 107 23.724 -0.094 0.032 1.00 0.00 H new ATOM 0 HD3 LYS B 107 23.849 1.646 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS B 107 26.037 1.360 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS B 107 25.882 -0.380 -1.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 25.134 0.387 -3.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 23.832 -0.280 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 23.982 1.405 -2.639 1.00 0.00 H new ATOM 808 N PRO B 108 27.549 2.264 3.380 1.00 0.00 N ATOM 809 CA PRO B 108 28.424 3.437 3.220 1.00 0.00 C ATOM 810 C PRO B 108 27.936 4.427 2.147 1.00 0.00 C ATOM 811 O PRO B 108 27.352 4.009 1.137 1.00 0.00 O ATOM 812 CB PRO B 108 29.813 2.883 2.876 1.00 0.00 C ATOM 813 CG PRO B 108 29.780 1.467 3.449 1.00 0.00 C ATOM 814 CD PRO B 108 28.329 1.046 3.219 1.00 0.00 C ATOM 0 HA PRO B 108 28.431 4.020 4.141 1.00 0.00 H new ATOM 0 HB2 PRO B 108 29.988 2.877 1.800 1.00 0.00 H new ATOM 0 HB3 PRO B 108 30.607 3.480 3.325 1.00 0.00 H new ATOM 0 HG2 PRO B 108 30.479 0.806 2.937 1.00 0.00 H new ATOM 0 HG3 PRO B 108 30.043 1.452 4.507 1.00 0.00 H new ATOM 0 HD2 PRO B 108 28.195 0.621 2.224 1.00 0.00 H new ATOM 0 HD3 PRO B 108 28.022 0.284 3.935 1.00 0.00 H new ATOM 822 N THR B 109 28.222 5.721 2.350 1.00 0.00 N ATOM 823 CA THR B 109 27.782 6.869 1.516 1.00 0.00 C ATOM 824 C THR B 109 26.257 7.104 1.530 1.00 0.00 C ATOM 825 O THR B 109 25.462 6.167 1.633 1.00 0.00 O ATOM 826 CB THR B 109 28.380 6.803 0.091 1.00 0.00 C ATOM 827 OG1 THR B 109 29.791 6.751 0.165 1.00 0.00 O ATOM 828 CG2 THR B 109 28.047 8.003 -0.799 1.00 0.00 C ATOM 0 H THR B 109 28.796 6.020 3.139 1.00 0.00 H new ATOM 0 HA THR B 109 28.193 7.761 1.988 1.00 0.00 H new ATOM 0 HB THR B 109 27.936 5.912 -0.352 1.00 0.00 H new ATOM 0 HG1 THR B 109 30.165 6.708 -0.740 1.00 0.00 H new ATOM 0 HG21 THR B 109 28.508 7.869 -1.778 1.00 0.00 H new ATOM 0 HG22 THR B 109 26.966 8.081 -0.915 1.00 0.00 H new ATOM 0 HG23 THR B 109 28.430 8.914 -0.339 1.00 0.00 H new ATOM 836 N SER B 110 25.825 8.373 1.444 1.00 0.00 N ATOM 837 CA SER B 110 24.398 8.758 1.454 1.00 0.00 C ATOM 838 C SER B 110 23.620 8.144 0.275 1.00 0.00 C ATOM 839 O SER B 110 24.046 8.222 -0.881 1.00 0.00 O ATOM 840 CB SER B 110 24.261 10.286 1.462 1.00 0.00 C ATOM 841 OG SER B 110 22.902 10.681 1.581 1.00 0.00 O ATOM 0 H SER B 110 26.458 9.169 1.365 1.00 0.00 H new ATOM 0 HA SER B 110 23.957 8.357 2.366 1.00 0.00 H new ATOM 0 HB2 SER B 110 24.836 10.701 2.290 1.00 0.00 H new ATOM 0 HB3 SER B 110 24.682 10.696 0.544 1.00 0.00 H new ATOM 0 HG SER B 110 22.845 11.659 1.585 1.00 0.00 H new ATOM 847 N SER B 111 22.479 7.507 0.569 1.00 0.00 N ATOM 848 CA SER B 111 21.614 6.804 -0.389 1.00 0.00 C ATOM 849 C SER B 111 20.206 6.580 0.198 1.00 0.00 C ATOM 850 O SER B 111 20.007 6.647 1.417 1.00 0.00 O ATOM 851 CB SER B 111 22.255 5.461 -0.746 1.00 0.00 C ATOM 852 OG SER B 111 21.528 4.798 -1.771 1.00 0.00 O ATOM 0 H SER B 111 22.118 7.465 1.522 1.00 0.00 H new ATOM 0 HA SER B 111 21.508 7.415 -1.286 1.00 0.00 H new ATOM 0 HB2 SER B 111 23.283 5.621 -1.072 1.00 0.00 H new ATOM 0 HB3 SER B 111 22.297 4.828 0.141 1.00 0.00 H new ATOM 0 HG SER B 111 21.961 3.944 -1.980 1.00 0.00 H new ATOM 858 N ASP B 112 19.215 6.279 -0.643 1.00 0.00 N ATOM 859 CA ASP B 112 17.818 5.983 -0.255 1.00 0.00 C ATOM 860 C ASP B 112 17.634 4.556 0.314 1.00 0.00 C ATOM 861 O ASP B 112 16.689 3.842 -0.037 1.00 0.00 O ATOM 862 CB ASP B 112 16.858 6.238 -1.436 1.00 0.00 C ATOM 863 CG ASP B 112 16.858 7.647 -2.057 1.00 0.00 C ATOM 864 OD1 ASP B 112 17.444 8.609 -1.498 1.00 0.00 O ATOM 865 OD2 ASP B 112 16.211 7.798 -3.126 1.00 0.00 O1- ATOM 0 H ASP B 112 19.359 6.231 -1.652 1.00 0.00 H new ATOM 0 HA ASP B 112 17.568 6.667 0.556 1.00 0.00 H new ATOM 0 HB2 ASP B 112 17.095 5.523 -2.224 1.00 0.00 H new ATOM 0 HB3 ASP B 112 15.845 6.018 -1.100 1.00 0.00 H new ATOM 870 N GLY B 113 18.542 4.112 1.186 1.00 0.00 N ATOM 871 CA GLY B 113 18.558 2.750 1.752 1.00 0.00 C ATOM 872 C GLY B 113 17.303 2.372 2.557 1.00 0.00 C ATOM 873 O GLY B 113 17.010 1.183 2.733 1.00 0.00 O ATOM 0 H GLY B 113 19.304 4.696 1.529 1.00 0.00 H new ATOM 0 HA2 GLY B 113 18.680 2.035 0.938 1.00 0.00 H new ATOM 0 HA3 GLY B 113 19.431 2.650 2.398 1.00 0.00 H new ATOM 877 N TRP B 114 16.514 3.365 2.987 1.00 0.00 N ATOM 878 CA TRP B 114 15.223 3.157 3.650 1.00 0.00 C ATOM 879 C TRP B 114 14.198 2.437 2.755 1.00 0.00 C ATOM 880 O TRP B 114 13.347 1.714 3.273 1.00 0.00 O ATOM 881 CB TRP B 114 14.672 4.505 4.143 1.00 0.00 C ATOM 882 CG TRP B 114 14.129 5.436 3.092 1.00 0.00 C ATOM 883 CD1 TRP B 114 14.793 6.469 2.527 1.00 0.00 C ATOM 884 CD2 TRP B 114 12.800 5.447 2.477 1.00 0.00 C ATOM 885 NE1 TRP B 114 13.981 7.106 1.607 1.00 0.00 N ATOM 886 CE2 TRP B 114 12.736 6.509 1.526 1.00 0.00 C ATOM 887 CE3 TRP B 114 11.638 4.658 2.618 1.00 0.00 C ATOM 888 CZ2 TRP B 114 11.585 6.769 0.756 1.00 0.00 C ATOM 889 CZ3 TRP B 114 10.483 4.894 1.844 1.00 0.00 C ATOM 890 CH2 TRP B 114 10.458 5.949 0.918 1.00 0.00 C ATOM 0 H TRP B 114 16.759 4.349 2.882 1.00 0.00 H new ATOM 0 HA TRP B 114 15.395 2.499 4.502 1.00 0.00 H new ATOM 0 HB2 TRP B 114 13.879 4.306 4.864 1.00 0.00 H new ATOM 0 HB3 TRP B 114 15.468 5.023 4.679 1.00 0.00 H new ATOM 0 HD1 TRP B 114 15.808 6.755 2.760 1.00 0.00 H new ATOM 0 HE1 TRP B 114 14.265 7.916 1.056 1.00 0.00 H new ATOM 0 HE3 TRP B 114 11.633 3.853 3.337 1.00 0.00 H new ATOM 0 HZ2 TRP B 114 11.570 7.587 0.051 1.00 0.00 H new ATOM 0 HZ3 TRP B 114 9.616 4.262 1.964 1.00 0.00 H new ATOM 0 HH2 TRP B 114 9.570 6.130 0.330 1.00 0.00 H new ATOM 901 N LYS B 115 14.287 2.579 1.424 1.00 0.00 N ATOM 902 CA LYS B 115 13.289 2.055 0.478 1.00 0.00 C ATOM 903 C LYS B 115 13.228 0.527 0.442 1.00 0.00 C ATOM 904 O LYS B 115 12.136 -0.042 0.473 1.00 0.00 O ATOM 905 CB LYS B 115 13.560 2.618 -0.929 1.00 0.00 C ATOM 906 CG LYS B 115 13.277 4.128 -0.995 1.00 0.00 C ATOM 907 CD LYS B 115 13.579 4.698 -2.384 1.00 0.00 C ATOM 908 CE LYS B 115 13.113 6.160 -2.441 1.00 0.00 C ATOM 909 NZ LYS B 115 13.614 6.854 -3.655 1.00 0.00 N1+ ATOM 0 H LYS B 115 15.060 3.065 0.970 1.00 0.00 H new ATOM 0 HA LYS B 115 12.313 2.387 0.831 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.598 2.429 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS B 115 12.937 2.098 -1.657 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.233 4.314 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS B 115 13.881 4.645 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.647 4.636 -2.592 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.071 4.112 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.024 6.195 -2.427 1.00 0.00 H new ATOM 0 HE3 LYS B 115 13.460 6.687 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.030 7.694 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 14.601 7.145 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.562 6.210 -4.470 1.00 0.00 H new ATOM 923 N ASP B 116 14.379 -0.149 0.437 1.00 0.00 N ATOM 924 CA ASP B 116 14.440 -1.619 0.478 1.00 0.00 C ATOM 925 C ASP B 116 14.008 -2.185 1.845 1.00 0.00 C ATOM 926 O ASP B 116 13.375 -3.246 1.902 1.00 0.00 O ATOM 927 CB ASP B 116 15.852 -2.109 0.108 1.00 0.00 C ATOM 928 CG ASP B 116 16.258 -1.882 -1.361 1.00 0.00 C ATOM 929 OD1 ASP B 116 17.429 -2.180 -1.708 1.00 0.00 O ATOM 930 OD2 ASP B 116 15.430 -1.440 -2.193 1.00 0.00 O1- ATOM 0 H ASP B 116 15.294 0.301 0.405 1.00 0.00 H new ATOM 0 HA ASP B 116 13.730 -1.993 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.574 -1.606 0.750 1.00 0.00 H new ATOM 0 HB3 ASP B 116 15.919 -3.175 0.327 1.00 0.00 H new ATOM 935 N ASP B 117 14.278 -1.469 2.946 1.00 0.00 N ATOM 936 CA ASP B 117 13.745 -1.811 4.274 1.00 0.00 C ATOM 937 C ASP B 117 12.219 -1.610 4.360 1.00 0.00 C ATOM 938 O ASP B 117 11.525 -2.391 5.020 1.00 0.00 O ATOM 939 CB ASP B 117 14.450 -0.979 5.359 1.00 0.00 C ATOM 940 CG ASP B 117 15.951 -1.273 5.535 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.636 -0.454 6.191 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.451 -2.330 5.078 1.00 0.00 O1- ATOM 0 H ASP B 117 14.870 -0.639 2.942 1.00 0.00 H new ATOM 0 HA ASP B 117 13.943 -2.870 4.440 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.328 0.078 5.121 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.948 -1.152 6.311 1.00 0.00 H new ATOM 947 N TYR B 118 11.674 -0.608 3.656 1.00 0.00 N ATOM 948 CA TYR B 118 10.229 -0.375 3.586 1.00 0.00 C ATOM 949 C TYR B 118 9.522 -1.483 2.786 1.00 0.00 C ATOM 950 O TYR B 118 8.524 -2.029 3.247 1.00 0.00 O ATOM 951 CB TYR B 118 9.941 1.031 3.042 1.00 0.00 C ATOM 952 CG TYR B 118 8.609 1.593 3.504 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.459 1.984 4.848 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.526 1.739 2.611 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.226 2.488 5.310 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.293 2.243 3.071 1.00 0.00 C ATOM 957 CZ TYR B 118 6.135 2.605 4.425 1.00 0.00 C ATOM 958 OH TYR B 118 4.944 3.068 4.890 1.00 0.00 O ATOM 0 H TYR B 118 12.225 0.063 3.120 1.00 0.00 H new ATOM 0 HA TYR B 118 9.816 -0.420 4.594 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.739 1.704 3.354 1.00 0.00 H new ATOM 0 HB3 TYR B 118 9.957 1.002 1.953 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.293 1.897 5.529 1.00 0.00 H new ATOM 0 HD2 TYR B 118 7.642 1.464 1.573 1.00 0.00 H new ATOM 0 HE1 TYR B 118 7.117 2.785 6.343 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.466 2.352 2.385 1.00 0.00 H new ATOM 0 HH TYR B 118 5.101 3.688 5.632 1.00 0.00 H new ATOM 968 N LEU B 119 10.093 -1.929 1.662 1.00 0.00 N ATOM 969 CA LEU B 119 9.643 -3.146 0.958 1.00 0.00 C ATOM 970 C LEU B 119 9.704 -4.391 1.863 1.00 0.00 C ATOM 971 O LEU B 119 8.748 -5.168 1.902 1.00 0.00 O ATOM 972 CB LEU B 119 10.491 -3.339 -0.314 1.00 0.00 C ATOM 973 CG LEU B 119 9.809 -2.851 -1.604 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.369 -1.386 -1.553 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.761 -3.031 -2.786 1.00 0.00 C ATOM 0 H LEU B 119 10.879 -1.461 1.211 1.00 0.00 H new ATOM 0 HA LEU B 119 8.597 -3.018 0.679 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.435 -2.809 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.731 -4.397 -0.421 1.00 0.00 H new ATOM 0 HG LEU B 119 8.909 -3.455 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.897 -1.115 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.658 -1.248 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.239 -0.750 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.277 -2.685 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.668 -2.451 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.018 -4.085 -2.889 1.00 0.00 H new ATOM 987 N SER B 120 10.780 -4.559 2.640 1.00 0.00 N ATOM 988 CA SER B 120 10.918 -5.691 3.567 1.00 0.00 C ATOM 989 C SER B 120 9.796 -5.728 4.612 1.00 0.00 C ATOM 990 O SER B 120 9.204 -6.791 4.823 1.00 0.00 O ATOM 991 CB SER B 120 12.300 -5.681 4.240 1.00 0.00 C ATOM 992 OG SER B 120 12.458 -6.803 5.092 1.00 0.00 O ATOM 0 H SER B 120 11.575 -3.920 2.645 1.00 0.00 H new ATOM 0 HA SER B 120 10.829 -6.602 2.976 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.080 -5.686 3.478 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.422 -4.763 4.815 1.00 0.00 H new ATOM 0 HG SER B 120 13.345 -6.776 5.508 1.00 0.00 H new ATOM 998 N ARG B 121 9.439 -4.592 5.234 1.00 0.00 N ATOM 999 CA ARG B 121 8.360 -4.530 6.238 1.00 0.00 C ATOM 1000 C ARG B 121 6.951 -4.604 5.634 1.00 0.00 C ATOM 1001 O ARG B 121 6.071 -5.223 6.233 1.00 0.00 O ATOM 1002 CB ARG B 121 8.568 -3.334 7.192 1.00 0.00 C ATOM 1003 CG ARG B 121 8.032 -1.989 6.690 1.00 0.00 C ATOM 1004 CD ARG B 121 8.410 -0.819 7.610 1.00 0.00 C ATOM 1005 NE ARG B 121 7.780 -0.936 8.941 1.00 0.00 N ATOM 1006 CZ ARG B 121 8.058 -0.211 10.015 1.00 0.00 C ATOM 1007 NH1 ARG B 121 8.941 0.747 10.008 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 7.435 -0.446 11.135 1.00 0.00 N ATOM 0 H ARG B 121 9.887 -3.693 5.057 1.00 0.00 H new ATOM 0 HA ARG B 121 8.429 -5.435 6.841 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.089 -3.564 8.144 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.635 -3.230 7.389 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.420 -1.799 5.689 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.947 -2.044 6.606 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.493 -0.783 7.724 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.106 0.120 7.146 1.00 0.00 H new ATOM 0 HE ARG B 121 7.057 -1.648 9.044 1.00 0.00 H new ATOM 0 HH11 ARG B 121 9.451 0.965 9.152 1.00 0.00 H new ATOM 0 HH12 ARG B 121 9.123 1.279 10.859 1.00 0.00 H new ATOM 0 HH21 ARG B 121 6.735 -1.187 11.184 1.00 0.00 H new ATOM 0 HH22 ARG B 121 7.647 0.111 11.963 1.00 0.00 H new ATOM 1022 N LEU B 122 6.730 -4.040 4.445 1.00 0.00 N ATOM 1023 CA LEU B 122 5.448 -4.095 3.722 1.00 0.00 C ATOM 1024 C LEU B 122 5.042 -5.527 3.340 1.00 0.00 C ATOM 1025 O LEU B 122 3.863 -5.888 3.438 1.00 0.00 O ATOM 1026 CB LEU B 122 5.534 -3.217 2.467 1.00 0.00 C ATOM 1027 CG LEU B 122 5.010 -1.774 2.594 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.363 -1.037 3.894 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.550 -0.972 1.408 1.00 0.00 C ATOM 0 H LEU B 122 7.450 -3.520 3.943 1.00 0.00 H new ATOM 0 HA LEU B 122 4.676 -3.719 4.393 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.577 -3.174 2.153 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.981 -3.711 1.668 1.00 0.00 H new ATOM 0 HG LEU B 122 3.923 -1.853 2.607 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.941 -0.032 3.869 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.952 -1.582 4.744 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.447 -0.973 3.993 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.194 0.056 1.472 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.640 -0.981 1.429 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.201 -1.419 0.477 1.00 0.00 H new ATOM 1041 N SER B 123 6.011 -6.365 2.961 1.00 0.00 N ATOM 1042 CA SER B 123 5.794 -7.772 2.592 1.00 0.00 C ATOM 1043 C SER B 123 5.186 -8.636 3.716 1.00 0.00 C ATOM 1044 O SER B 123 4.572 -9.670 3.436 1.00 0.00 O ATOM 1045 CB SER B 123 7.124 -8.379 2.130 1.00 0.00 C ATOM 1046 OG SER B 123 6.922 -9.658 1.550 1.00 0.00 O ATOM 0 H SER B 123 6.989 -6.081 2.900 1.00 0.00 H new ATOM 0 HA SER B 123 5.058 -7.773 1.788 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.598 -7.717 1.405 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.804 -8.463 2.978 1.00 0.00 H new ATOM 0 HG SER B 123 7.783 -10.026 1.261 1.00 0.00 H new ATOM 1052 N ARG B 124 5.336 -8.232 4.989 1.00 0.00 N ATOM 1053 CA ARG B 124 4.911 -9.017 6.170 1.00 0.00 C ATOM 1054 C ARG B 124 3.400 -8.984 6.437 1.00 0.00 C ATOM 1055 O ARG B 124 2.870 -9.869 7.112 1.00 0.00 O ATOM 1056 CB ARG B 124 5.641 -8.514 7.431 1.00 0.00 C ATOM 1057 CG ARG B 124 7.150 -8.273 7.277 1.00 0.00 C ATOM 1058 CD ARG B 124 7.910 -9.445 6.658 1.00 0.00 C ATOM 1059 NE ARG B 124 9.334 -9.098 6.476 1.00 0.00 N ATOM 1060 CZ ARG B 124 10.399 -9.563 7.104 1.00 0.00 C ATOM 1061 NH1 ARG B 124 10.325 -10.489 8.018 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 11.576 -9.083 6.822 1.00 0.00 N ATOM 0 H ARG B 124 5.762 -7.338 5.234 1.00 0.00 H new ATOM 0 HA ARG B 124 5.174 -10.050 5.941 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.174 -7.583 7.751 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.487 -9.239 8.230 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.304 -7.388 6.660 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.574 -8.056 8.257 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.822 -10.322 7.299 1.00 0.00 H new ATOM 0 HD3 ARG B 124 7.467 -9.707 5.697 1.00 0.00 H new ATOM 0 HE ARG B 124 9.523 -8.396 5.760 1.00 0.00 H new ATOM 0 HH11 ARG B 124 9.419 -10.883 8.273 1.00 0.00 H new ATOM 0 HH12 ARG B 124 11.173 -10.820 8.479 1.00 0.00 H new ATOM 0 HH21 ARG B 124 11.673 -8.351 6.119 1.00 0.00 H new ATOM 0 HH22 ARG B 124 12.401 -9.439 7.305 1.00 0.00 H new ATOM 1076 N LEU B 125 2.717 -7.951 5.931 1.00 0.00 N ATOM 1077 CA LEU B 125 1.292 -7.691 6.164 1.00 0.00 C ATOM 1078 C LEU B 125 0.360 -8.620 5.356 1.00 0.00 C ATOM 1079 O LEU B 125 0.629 -8.961 4.203 1.00 0.00 O ATOM 1080 CB LEU B 125 0.959 -6.207 5.881 1.00 0.00 C ATOM 1081 CG LEU B 125 1.454 -5.139 6.883 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.327 -5.543 8.352 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.893 -4.714 6.625 1.00 0.00 C ATOM 0 H LEU B 125 3.154 -7.252 5.330 1.00 0.00 H new ATOM 0 HA LEU B 125 1.107 -7.910 7.215 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.365 -5.957 4.901 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.125 -6.118 5.809 1.00 0.00 H new ATOM 0 HG LEU B 125 0.781 -4.300 6.705 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.697 -4.736 8.985 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.280 -5.737 8.587 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.913 -6.444 8.534 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.188 -3.963 7.358 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.549 -5.580 6.710 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.974 -4.294 5.622 1.00 0.00 H new ATOM 1095 N SER B 126 -0.780 -8.969 5.959 1.00 0.00 N ATOM 1096 CA SER B 126 -1.946 -9.568 5.282 1.00 0.00 C ATOM 1097 C SER B 126 -2.676 -8.543 4.397 1.00 0.00 C ATOM 1098 O SER B 126 -2.438 -7.334 4.498 1.00 0.00 O ATOM 1099 CB SER B 126 -2.896 -10.153 6.339 1.00 0.00 C ATOM 1100 OG SER B 126 -3.965 -10.873 5.746 1.00 0.00 O ATOM 0 H SER B 126 -0.927 -8.841 6.960 1.00 0.00 H new ATOM 0 HA SER B 126 -1.598 -10.364 4.624 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.338 -10.813 7.004 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.297 -9.347 6.953 1.00 0.00 H new ATOM 0 HG SER B 126 -4.547 -11.232 6.448 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.573 -8.996 3.514 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.212 -8.154 2.487 1.00 0.00 C ATOM 1108 C LYS B 127 -5.041 -6.998 3.065 1.00 0.00 C ATOM 1109 O LYS B 127 -4.960 -5.874 2.573 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.038 -9.024 1.527 1.00 0.00 C ATOM 1111 CG LYS B 127 -4.557 -8.790 0.090 1.00 0.00 C ATOM 1112 CD LYS B 127 -5.405 -9.579 -0.911 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.943 -9.272 -2.339 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.941 -9.708 -3.348 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.882 -9.968 3.489 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.409 -7.674 1.928 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.934 -10.076 1.791 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -6.096 -8.777 1.613 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -4.607 -7.727 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -3.512 -9.087 0.000 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -5.318 -10.647 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -6.457 -9.318 -0.795 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.767 -8.201 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.993 -9.771 -2.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -5.577 -9.514 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -6.116 -10.728 -3.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.830 -9.188 -3.204 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.782 -7.238 4.143 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.538 -6.184 4.829 1.00 0.00 C ATOM 1130 C ASN B 128 -5.610 -5.149 5.502 1.00 0.00 C ATOM 1131 O ASN B 128 -5.926 -3.958 5.549 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.492 -6.843 5.839 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.548 -7.732 5.192 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -9.174 -7.388 4.197 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -8.774 -8.910 5.731 1.00 0.00 N ATOM 0 H ASN B 128 -5.878 -8.161 4.567 1.00 0.00 H new ATOM 0 HA ASN B 128 -7.119 -5.625 4.096 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -6.909 -7.438 6.541 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.989 -6.064 6.417 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -9.469 -9.534 5.320 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -8.255 -9.200 6.560 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.449 -5.593 5.993 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.458 -4.752 6.671 1.00 0.00 C ATOM 1144 C GLN B 129 -2.647 -3.889 5.685 1.00 0.00 C ATOM 1145 O GLN B 129 -2.497 -2.687 5.915 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.525 -5.632 7.517 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.235 -6.379 8.662 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.375 -7.473 9.293 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.452 -8.021 8.701 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.661 -7.868 10.514 1.00 0.00 N ATOM 0 H GLN B 129 -4.165 -6.571 5.928 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.997 -4.062 7.320 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -2.041 -6.361 6.867 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.737 -5.008 7.938 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.522 -5.662 9.432 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.155 -6.823 8.282 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.425 -7.427 11.027 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.119 -8.615 10.948 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.165 -4.456 4.569 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.469 -3.693 3.518 1.00 0.00 C ATOM 1161 C LEU B 130 -2.395 -2.677 2.839 1.00 0.00 C ATOM 1162 O LEU B 130 -1.947 -1.576 2.505 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.762 -4.638 2.517 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.663 -5.452 1.566 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.032 -4.726 0.265 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.980 -6.769 1.190 1.00 0.00 C ATOM 0 H LEU B 130 -2.245 -5.453 4.368 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.685 -3.104 3.994 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.081 -4.041 1.910 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.151 -5.338 3.086 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.586 -5.616 2.123 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.666 -5.370 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.568 -3.807 0.501 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.124 -4.485 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.626 -7.335 0.518 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.034 -6.559 0.692 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.794 -7.353 2.092 1.00 0.00 H new ATOM 1178 N MET B 131 -3.693 -2.989 2.697 1.00 0.00 N ATOM 1179 CA MET B 131 -4.687 -2.036 2.194 1.00 0.00 C ATOM 1180 C MET B 131 -4.868 -0.858 3.156 1.00 0.00 C ATOM 1181 O MET B 131 -4.821 0.294 2.723 1.00 0.00 O ATOM 1182 CB MET B 131 -6.040 -2.716 1.960 1.00 0.00 C ATOM 1183 CG MET B 131 -6.095 -3.558 0.685 1.00 0.00 C ATOM 1184 SD MET B 131 -7.699 -4.372 0.446 1.00 0.00 S ATOM 1185 CE MET B 131 -7.156 -6.004 -0.123 1.00 0.00 C ATOM 0 H MET B 131 -4.078 -3.905 2.927 1.00 0.00 H new ATOM 0 HA MET B 131 -4.311 -1.659 1.243 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.269 -3.352 2.815 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.817 -1.953 1.914 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.885 -2.921 -0.174 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.311 -4.314 0.721 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.027 -6.625 -0.333 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.562 -5.894 -1.030 1.00 0.00 H new ATOM 0 HE3 MET B 131 -6.552 -6.477 0.651 1.00 0.00 H new ATOM 1195 N ALA B 132 -5.021 -1.125 4.456 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.152 -0.081 5.472 1.00 0.00 C ATOM 1197 C ALA B 132 -3.901 0.820 5.551 1.00 0.00 C ATOM 1198 O ALA B 132 -4.021 2.041 5.644 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.450 -0.754 6.819 1.00 0.00 C ATOM 0 H ALA B 132 -5.057 -2.072 4.832 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.974 0.581 5.199 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.552 0.008 7.592 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.378 -1.322 6.745 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.633 -1.427 7.078 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.703 0.230 5.437 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.419 0.943 5.387 1.00 0.00 C ATOM 1207 C LEU B 133 -1.340 1.879 4.166 1.00 0.00 C ATOM 1208 O LEU B 133 -1.071 3.073 4.317 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.289 -0.108 5.448 1.00 0.00 C ATOM 1210 CG LEU B 133 1.179 0.373 5.473 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.686 0.890 4.124 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.432 1.423 6.555 1.00 0.00 C ATOM 0 H LEU B 133 -2.597 -0.783 5.375 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.311 1.608 6.244 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.452 -0.715 6.338 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.405 -0.767 4.587 1.00 0.00 H new ATOM 0 HG LEU B 133 1.750 -0.524 5.712 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.724 1.209 4.223 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.620 0.095 3.382 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.076 1.735 3.805 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.478 1.727 6.529 1.00 0.00 H new ATOM 0 HD22 LEU B 133 0.798 2.291 6.375 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.201 1.001 7.533 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.615 1.367 2.966 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.583 2.163 1.736 1.00 0.00 C ATOM 1226 C ALA B 134 -2.659 3.270 1.724 1.00 0.00 C ATOM 1227 O ALA B 134 -2.387 4.393 1.299 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.719 1.209 0.550 1.00 0.00 C ATOM 0 H ALA B 134 -1.866 0.390 2.818 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.633 2.693 1.671 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.698 1.778 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.893 0.498 0.559 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.663 0.669 0.624 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.865 2.999 2.236 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.952 3.980 2.354 1.00 0.00 C ATOM 1236 C LEU B 135 -4.616 5.095 3.363 1.00 0.00 C ATOM 1237 O LEU B 135 -4.848 6.274 3.085 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.251 3.209 2.693 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.596 3.963 2.608 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.845 4.952 3.741 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.754 4.680 1.274 1.00 0.00 C ATOM 0 H LEU B 135 -4.118 2.075 2.587 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.094 4.506 1.410 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.310 2.349 2.026 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.152 2.821 3.707 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.346 3.178 2.705 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.812 5.434 3.598 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.841 4.422 4.694 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -7.060 5.708 3.743 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.712 5.199 1.251 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -6.947 5.402 1.151 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.716 3.952 0.463 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.989 4.750 4.499 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.441 5.710 5.473 1.00 0.00 C ATOM 1255 C LYS B 136 -2.391 6.627 4.838 1.00 0.00 C ATOM 1256 O LYS B 136 -2.510 7.846 4.945 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.896 4.927 6.679 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.310 5.851 7.757 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.934 5.097 9.040 1.00 0.00 C ATOM 1260 CE LYS B 136 -0.826 4.053 8.817 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.451 3.384 10.089 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.846 3.778 4.772 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.232 6.376 5.818 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.697 4.328 7.113 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.127 4.233 6.341 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.426 6.350 7.361 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.035 6.629 7.996 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -1.606 5.813 9.793 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -2.820 4.601 9.437 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -1.165 3.308 8.098 1.00 0.00 H new ATOM 0 HE3 LYS B 136 0.051 4.536 8.386 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 0.298 2.686 9.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.105 4.094 10.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -1.283 2.903 10.487 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.428 6.062 4.105 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.426 6.823 3.340 1.00 0.00 C ATOM 1277 C LEU B 137 -1.071 7.747 2.290 1.00 0.00 C ATOM 1278 O LEU B 137 -0.578 8.857 2.069 1.00 0.00 O ATOM 1279 CB LEU B 137 0.526 5.839 2.629 1.00 0.00 C ATOM 1280 CG LEU B 137 1.891 5.628 3.304 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.802 5.139 4.748 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.661 4.598 2.477 1.00 0.00 C ATOM 0 H LEU B 137 -1.317 5.051 4.022 1.00 0.00 H new ATOM 0 HA LEU B 137 0.119 7.451 4.045 1.00 0.00 H new ATOM 0 HB2 LEU B 137 0.027 4.873 2.549 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.695 6.195 1.613 1.00 0.00 H new ATOM 0 HG LEU B 137 2.391 6.596 3.343 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.806 5.015 5.153 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.257 5.869 5.347 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.279 4.183 4.777 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.637 4.424 2.930 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.102 3.662 2.449 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.793 4.972 1.462 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.163 7.305 1.645 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.895 8.069 0.629 1.00 0.00 C ATOM 1296 C LYS B 138 -3.613 9.276 1.229 1.00 0.00 C ATOM 1297 O LYS B 138 -3.361 10.397 0.793 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.864 7.143 -0.129 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.511 7.778 -1.368 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.488 8.107 -2.465 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.208 8.466 -3.769 1.00 0.00 C ATOM 1302 NZ LYS B 138 -3.293 8.377 -4.936 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.568 6.386 1.821 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.173 8.468 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.325 6.246 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.652 6.824 0.554 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.263 7.098 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.030 8.691 -1.075 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.858 8.938 -2.148 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.830 7.253 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -5.054 7.794 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.612 9.476 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.769 8.754 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.434 8.931 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -3.035 7.383 -5.100 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.451 9.093 2.250 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.208 10.206 2.846 1.00 0.00 C ATOM 1318 C GLN B 139 -4.304 11.246 3.540 1.00 0.00 C ATOM 1319 O GLN B 139 -4.642 12.432 3.571 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.324 9.680 3.769 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.832 9.047 5.075 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.996 8.552 5.933 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.806 9.309 6.451 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.129 7.255 6.122 1.00 0.00 N ATOM 0 H GLN B 139 -4.626 8.187 2.685 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.686 10.744 2.027 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.995 10.504 4.011 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.911 8.942 3.222 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.166 8.214 4.848 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.249 9.777 5.637 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.464 6.607 5.699 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.897 6.899 6.691 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.129 10.836 4.037 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.114 11.725 4.627 1.00 0.00 C ATOM 1335 C GLN B 140 -1.575 12.767 3.631 1.00 0.00 C ATOM 1336 O GLN B 140 -1.426 13.934 3.993 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.956 10.875 5.175 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.276 10.306 6.567 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.298 9.223 7.030 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.604 8.779 6.330 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.434 8.750 8.252 1.00 0.00 N ATOM 0 H GLN B 140 -2.850 9.855 4.041 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.595 12.282 5.431 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.748 10.056 4.486 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.053 11.483 5.229 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.272 11.120 7.292 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.284 9.892 6.557 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.177 9.103 8.856 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.204 8.031 8.595 1.00 0.00 H new ATOM 1350 N GLN B 141 -1.273 12.363 2.390 1.00 0.00 N ATOM 1351 CA GLN B 141 -0.800 13.279 1.332 1.00 0.00 C ATOM 1352 C GLN B 141 -1.924 13.962 0.536 1.00 0.00 C ATOM 1353 O GLN B 141 -1.776 15.125 0.160 1.00 0.00 O ATOM 1354 CB GLN B 141 0.192 12.551 0.413 1.00 0.00 C ATOM 1355 CG GLN B 141 -0.382 11.386 -0.412 1.00 0.00 C ATOM 1356 CD GLN B 141 0.754 10.517 -0.938 1.00 0.00 C ATOM 1357 OE1 GLN B 141 1.309 10.730 -2.005 1.00 0.00 O ATOM 1358 NE2 GLN B 141 1.180 9.537 -0.171 1.00 0.00 N ATOM 0 H GLN B 141 -1.348 11.392 2.087 1.00 0.00 H new ATOM 0 HA GLN B 141 -0.289 14.099 1.837 1.00 0.00 H new ATOM 0 HB2 GLN B 141 0.622 13.280 -0.274 1.00 0.00 H new ATOM 0 HB3 GLN B 141 1.010 12.169 1.024 1.00 0.00 H new ATOM 0 HG2 GLN B 141 -1.054 10.788 0.204 1.00 0.00 H new ATOM 0 HG3 GLN B 141 -0.971 11.773 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN B 141 0.722 9.352 0.722 1.00 0.00 H new ATOM 0 HE22 GLN B 141 1.968 8.962 -0.469 1.00 0.00 H new ATOM 1367 N LEU B 142 -3.051 13.283 0.298 1.00 0.00 N ATOM 1368 CA LEU B 142 -4.145 13.772 -0.542 1.00 0.00 C ATOM 1369 C LEU B 142 -4.856 15.018 0.021 1.00 0.00 C ATOM 1370 O LEU B 142 -5.395 15.828 -0.737 1.00 0.00 O ATOM 1371 CB LEU B 142 -5.112 12.592 -0.744 1.00 0.00 C ATOM 1372 CG LEU B 142 -6.128 12.749 -1.889 1.00 0.00 C ATOM 1373 CD1 LEU B 142 -5.396 12.898 -3.225 1.00 0.00 C ATOM 1374 CD2 LEU B 142 -6.985 11.485 -1.948 1.00 0.00 C ATOM 0 H LEU B 142 -3.230 12.360 0.693 1.00 0.00 H new ATOM 0 HA LEU B 142 -3.742 14.117 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -4.525 11.692 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -5.661 12.433 0.184 1.00 0.00 H new ATOM 0 HG LEU B 142 -6.741 13.632 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU B 142 -6.124 13.008 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -4.755 13.779 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -4.787 12.013 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU B 142 -7.713 11.576 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU B 142 -6.347 10.621 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU B 142 -7.508 11.355 -1.000 1.00 0.00 H new ATOM 1386 N GLU B 143 -4.827 15.205 1.341 1.00 0.00 N ATOM 1387 CA GLU B 143 -5.341 16.404 2.031 1.00 0.00 C ATOM 1388 C GLU B 143 -4.426 17.648 1.911 1.00 0.00 C ATOM 1389 O GLU B 143 -4.855 18.762 2.232 1.00 0.00 O ATOM 1390 CB GLU B 143 -5.566 16.070 3.516 1.00 0.00 C ATOM 1391 CG GLU B 143 -6.709 15.069 3.780 1.00 0.00 C ATOM 1392 CD GLU B 143 -8.126 15.691 3.744 1.00 0.00 C ATOM 1393 OE1 GLU B 143 -9.043 15.127 4.390 1.00 0.00 O ATOM 1394 OE2 GLU B 143 -8.360 16.729 3.074 1.00 0.00 O1- ATOM 0 H GLU B 143 -4.437 14.514 1.982 1.00 0.00 H new ATOM 0 HA GLU B 143 -6.275 16.671 1.536 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -4.642 15.664 3.928 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -5.777 16.994 4.055 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -6.656 14.272 3.038 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -6.553 14.607 4.755 1.00 0.00 H new ATOM 1401 N GLN B 144 -3.171 17.485 1.471 1.00 0.00 N ATOM 1402 CA GLN B 144 -2.177 18.566 1.367 1.00 0.00 C ATOM 1403 C GLN B 144 -2.270 19.339 0.036 1.00 0.00 C ATOM 1404 O GLN B 144 -2.769 18.822 -0.972 1.00 0.00 O ATOM 1405 CB GLN B 144 -0.750 18.014 1.561 1.00 0.00 C ATOM 1406 CG GLN B 144 -0.591 17.222 2.868 1.00 0.00 C ATOM 1407 CD GLN B 144 0.834 16.728 3.117 1.00 0.00 C ATOM 1408 OE1 GLN B 144 1.828 17.337 2.750 1.00 0.00 O ATOM 1409 NE2 GLN B 144 0.991 15.596 3.778 1.00 0.00 N ATOM 0 H GLN B 144 -2.809 16.580 1.171 1.00 0.00 H new ATOM 0 HA GLN B 144 -2.404 19.273 2.165 1.00 0.00 H new ATOM 0 HB2 GLN B 144 -0.496 17.371 0.718 1.00 0.00 H new ATOM 0 HB3 GLN B 144 -0.041 18.842 1.555 1.00 0.00 H new ATOM 0 HG2 GLN B 144 -0.899 17.851 3.703 1.00 0.00 H new ATOM 0 HG3 GLN B 144 -1.265 16.365 2.848 1.00 0.00 H new ATOM 0 HE21 GLN B 144 0.175 15.072 4.093 1.00 0.00 H new ATOM 0 HE22 GLN B 144 1.929 15.245 3.973 1.00 0.00 H new ATOM 1418 N GLY B 145 -1.746 20.573 0.019 1.00 0.00 N ATOM 1419 CA GLY B 145 -1.701 21.467 -1.152 1.00 0.00 C ATOM 1420 C GLY B 145 -3.069 22.004 -1.584 1.00 0.00 C ATOM 1421 O GLY B 145 -3.778 22.583 -0.728 1.00 0.00 O ATOM 1422 OXT GLY B 145 -3.410 21.874 -2.779 1.00 0.00 O1- ATOM 0 H GLY B 145 -1.326 20.993 0.849 1.00 0.00 H new ATOM 0 HA2 GLY B 145 -1.047 22.309 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY B 145 -1.253 20.930 -1.988 1.00 0.00 H new TER 1426 GLY B 145