USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 764 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 43 THR OG1 : rot 42:sc= -2.02 USER MOD Set 1.2: A 63 THR OG1 : rot -139:sc= 0.0513 USER MOD Set 1.3: A 64 SER OG : rot -148:sc= -0.582 USER MOD Set 2.1: A 18 GLN : amide:sc= 1.52 K(o=1.5,f=-0.44) USER MOD Set 2.2: A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -163:sc= -0.0734 (180deg=-0.435) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.29) USER MOD Single : A 11 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 13 GLN :FLIP amide:sc= -2.46! C(o=-3.9!,f=-2.5!) USER MOD Single : A 14 THR OG1 : rot 85:sc= 1.31 USER MOD Single : A 20 ASN : amide:sc= 0.0996 X(o=0.1,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= 1.29 (180deg=1.15) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 138:sc= 2.38 (180deg=0.555) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 143:sc= -0.13 (180deg=-0.977) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 2.08 (180deg=1.88) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 1.35 (180deg=1.09) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot -40:sc= 0.417 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 80 MET CE :methyl -113:sc= -2.54! (180deg=-4.47!) USER MOD Single : A 81 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.1) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 86 CYS SG : rot -151:sc= -0.57 USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.128) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= 0.228 (180deg=0.172) USER MOD Single : A 93 MET CE :methyl -157:sc= -0.0791 (180deg=-0.605) USER MOD Single : A 94 MET CE :methyl 165:sc= -1.06 (180deg=-1.63) USER MOD Single : A 98 GLN : amide:sc= 1.17 K(o=1.2,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 3 13.941 2.833 -5.080 1.00 0.00 N ATOM 2 CA MET A 3 14.994 3.422 -5.906 1.00 0.00 C ATOM 3 C MET A 3 14.388 4.038 -7.156 1.00 0.00 C ATOM 4 O MET A 3 14.450 5.249 -7.347 1.00 0.00 O ATOM 5 CB MET A 3 16.072 2.386 -6.277 1.00 0.00 C ATOM 6 CG MET A 3 17.237 2.974 -7.071 1.00 0.00 C ATOM 7 SD MET A 3 18.506 1.757 -7.511 1.00 0.00 S ATOM 8 CE MET A 3 19.077 1.236 -5.889 1.00 0.00 C ATOM 0 HA MET A 3 15.483 4.204 -5.324 1.00 0.00 H new ATOM 0 HB2 MET A 3 16.458 1.932 -5.364 1.00 0.00 H new ATOM 0 HB3 MET A 3 15.612 1.588 -6.860 1.00 0.00 H new ATOM 0 HG2 MET A 3 16.851 3.429 -7.983 1.00 0.00 H new ATOM 0 HG3 MET A 3 17.697 3.771 -6.487 1.00 0.00 H new ATOM 0 HE1 MET A 3 20.039 0.732 -5.986 1.00 0.00 H new ATOM 0 HE2 MET A 3 19.188 2.108 -5.245 1.00 0.00 H new ATOM 0 HE3 MET A 3 18.351 0.551 -5.451 1.00 0.00 H new ATOM 18 N THR A 4 13.786 3.224 -7.996 1.00 0.00 N ATOM 19 CA THR A 4 13.160 3.724 -9.190 1.00 0.00 C ATOM 20 C THR A 4 11.646 3.812 -9.004 1.00 0.00 C ATOM 21 O THR A 4 11.049 2.929 -8.400 1.00 0.00 O ATOM 22 CB THR A 4 13.502 2.823 -10.391 1.00 0.00 C ATOM 23 OG1 THR A 4 13.353 1.457 -10.010 1.00 0.00 O ATOM 24 CG2 THR A 4 14.914 3.073 -10.895 1.00 0.00 C ATOM 0 H THR A 4 13.719 2.214 -7.870 1.00 0.00 H new ATOM 0 HA THR A 4 13.542 4.726 -9.387 1.00 0.00 H new ATOM 0 HB THR A 4 12.817 3.060 -11.205 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.568 0.880 -10.772 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.119 2.419 -11.743 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.010 4.113 -11.207 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.627 2.867 -10.097 1.00 0.00 H new ATOM 32 N SER A 5 11.043 4.879 -9.509 1.00 0.00 N ATOM 33 CA SER A 5 9.598 5.092 -9.430 1.00 0.00 C ATOM 34 C SER A 5 8.788 3.901 -10.051 1.00 0.00 C ATOM 35 O SER A 5 7.809 3.440 -9.443 1.00 0.00 O ATOM 36 CB SER A 5 9.209 6.450 -10.064 1.00 0.00 C ATOM 37 OG SER A 5 7.825 6.717 -9.926 1.00 0.00 O ATOM 0 H SER A 5 11.542 5.628 -9.989 1.00 0.00 H new ATOM 0 HA SER A 5 9.328 5.126 -8.375 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.782 7.249 -9.593 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.475 6.447 -11.121 1.00 0.00 H new ATOM 0 HG SER A 5 7.616 7.582 -10.336 1.00 0.00 H new ATOM 43 N PRO A 6 9.166 3.377 -11.271 1.00 0.00 N ATOM 44 CA PRO A 6 8.518 2.188 -11.834 1.00 0.00 C ATOM 45 C PRO A 6 8.566 0.992 -10.868 1.00 0.00 C ATOM 46 O PRO A 6 7.545 0.357 -10.608 1.00 0.00 O ATOM 47 CB PRO A 6 9.334 1.886 -13.105 1.00 0.00 C ATOM 48 CG PRO A 6 10.547 2.741 -13.019 1.00 0.00 C ATOM 49 CD PRO A 6 10.147 3.932 -12.221 1.00 0.00 C ATOM 0 HA PRO A 6 7.460 2.360 -12.031 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.602 0.831 -13.156 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.758 2.113 -14.002 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.368 2.208 -12.541 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.891 3.033 -14.011 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.998 4.379 -11.708 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.708 4.709 -12.847 1.00 0.00 H new ATOM 57 N GLN A 7 9.741 0.722 -10.300 1.00 0.00 N ATOM 58 CA GLN A 7 9.896 -0.391 -9.384 1.00 0.00 C ATOM 59 C GLN A 7 9.189 -0.142 -8.067 1.00 0.00 C ATOM 60 O GLN A 7 8.723 -1.066 -7.433 1.00 0.00 O ATOM 61 CB GLN A 7 11.352 -0.760 -9.175 1.00 0.00 C ATOM 62 CG GLN A 7 11.979 -1.437 -10.383 1.00 0.00 C ATOM 63 CD GLN A 7 11.372 -2.798 -10.657 1.00 0.00 C ATOM 64 OE1 GLN A 7 11.838 -3.806 -10.133 1.00 0.00 O ATOM 65 NE2 GLN A 7 10.354 -2.855 -11.483 1.00 0.00 N ATOM 0 H GLN A 7 10.592 1.260 -10.462 1.00 0.00 H new ATOM 0 HA GLN A 7 9.414 -1.250 -9.852 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.918 0.141 -8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.432 -1.423 -8.313 1.00 0.00 H new ATOM 0 HG2 GLN A 7 11.852 -0.802 -11.260 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.051 -1.546 -10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.989 -2.000 -11.903 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.928 -3.754 -11.705 1.00 0.00 H new ATOM 74 N LEU A 8 9.105 1.110 -7.687 1.00 0.00 N ATOM 75 CA LEU A 8 8.390 1.560 -6.498 1.00 0.00 C ATOM 76 C LEU A 8 6.934 1.090 -6.596 1.00 0.00 C ATOM 77 O LEU A 8 6.451 0.308 -5.750 1.00 0.00 O ATOM 78 CB LEU A 8 8.492 3.107 -6.472 1.00 0.00 C ATOM 79 CG LEU A 8 7.987 3.917 -5.282 1.00 0.00 C ATOM 80 CD1 LEU A 8 8.357 5.370 -5.501 1.00 0.00 C ATOM 81 CD2 LEU A 8 6.482 3.804 -5.086 1.00 0.00 C ATOM 0 H LEU A 8 9.542 1.872 -8.205 1.00 0.00 H new ATOM 0 HA LEU A 8 8.810 1.152 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.545 3.358 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.965 3.475 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 8 8.455 3.517 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.004 5.966 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.440 5.461 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.893 5.729 -6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.181 4.401 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.971 4.169 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.215 2.761 -4.915 1.00 0.00 H new ATOM 93 N GLU A 9 6.261 1.520 -7.659 1.00 0.00 N ATOM 94 CA GLU A 9 4.866 1.182 -7.879 1.00 0.00 C ATOM 95 C GLU A 9 4.733 -0.320 -8.101 1.00 0.00 C ATOM 96 O GLU A 9 3.754 -0.942 -7.671 1.00 0.00 O ATOM 97 CB GLU A 9 4.308 1.961 -9.072 1.00 0.00 C ATOM 98 CG GLU A 9 2.802 1.784 -9.289 1.00 0.00 C ATOM 99 CD GLU A 9 2.303 2.434 -10.562 1.00 0.00 C ATOM 100 OE1 GLU A 9 2.445 3.661 -10.708 1.00 0.00 O ATOM 101 OE2 GLU A 9 1.744 1.716 -11.440 1.00 0.00 O ATOM 0 H GLU A 9 6.668 2.109 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 9 4.287 1.459 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.521 3.021 -8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.833 1.647 -9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.568 0.720 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.267 2.207 -8.439 1.00 0.00 H new ATOM 108 N TRP A 10 5.725 -0.900 -8.764 1.00 0.00 N ATOM 109 CA TRP A 10 5.772 -2.326 -8.986 1.00 0.00 C ATOM 110 C TRP A 10 5.831 -3.088 -7.668 1.00 0.00 C ATOM 111 O TRP A 10 5.088 -4.033 -7.474 1.00 0.00 O ATOM 112 CB TRP A 10 6.954 -2.724 -9.899 1.00 0.00 C ATOM 113 CG TRP A 10 7.185 -4.215 -9.986 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.595 -5.102 -10.836 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.068 -4.982 -9.158 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.058 -6.371 -10.581 1.00 0.00 N ATOM 117 CE2 TRP A 10 7.962 -6.319 -9.553 1.00 0.00 C ATOM 118 CE3 TRP A 10 8.934 -4.656 -8.120 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.692 -7.330 -8.938 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.650 -5.649 -7.513 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.529 -6.967 -7.918 1.00 0.00 C ATOM 0 H TRP A 10 6.515 -0.390 -9.159 1.00 0.00 H new ATOM 0 HA TRP A 10 4.850 -2.601 -9.498 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.773 -2.335 -10.901 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.862 -2.246 -9.531 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.872 -4.846 -11.596 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.774 -7.216 -11.077 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.039 -3.631 -7.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.602 -8.359 -9.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.321 -5.401 -6.704 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.109 -7.728 -7.417 1.00 0.00 H new ATOM 132 N THR A 11 6.690 -2.680 -6.765 1.00 0.00 N ATOM 133 CA THR A 11 6.853 -3.405 -5.528 1.00 0.00 C ATOM 134 C THR A 11 5.569 -3.380 -4.719 1.00 0.00 C ATOM 135 O THR A 11 5.144 -4.410 -4.184 1.00 0.00 O ATOM 136 CB THR A 11 8.036 -2.892 -4.690 1.00 0.00 C ATOM 137 OG1 THR A 11 9.218 -2.805 -5.511 1.00 0.00 O ATOM 138 CG2 THR A 11 8.308 -3.866 -3.567 1.00 0.00 C ATOM 0 H THR A 11 7.283 -1.856 -6.862 1.00 0.00 H new ATOM 0 HA THR A 11 7.082 -4.437 -5.795 1.00 0.00 H new ATOM 0 HB THR A 11 7.789 -1.908 -4.292 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.208 -1.962 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.146 -3.507 -2.969 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.423 -3.951 -2.937 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.552 -4.843 -3.984 1.00 0.00 H new ATOM 146 N LEU A 12 4.936 -2.228 -4.690 1.00 0.00 N ATOM 147 CA LEU A 12 3.678 -2.074 -4.011 1.00 0.00 C ATOM 148 C LEU A 12 2.623 -2.978 -4.652 1.00 0.00 C ATOM 149 O LEU A 12 1.965 -3.768 -3.975 1.00 0.00 O ATOM 150 CB LEU A 12 3.192 -0.648 -4.138 1.00 0.00 C ATOM 151 CG LEU A 12 4.020 0.445 -3.500 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.336 1.784 -3.711 1.00 0.00 C ATOM 153 CD2 LEU A 12 4.222 0.171 -2.024 1.00 0.00 C ATOM 0 H LEU A 12 5.281 -1.378 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 12 3.824 -2.337 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.100 -0.420 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.189 -0.598 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 12 5.003 0.470 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.931 2.573 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.238 1.978 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.347 1.763 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.820 0.969 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.253 0.127 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.738 -0.781 -1.898 1.00 0.00 H new ATOM 165 N GLN A 13 2.505 -2.877 -5.986 1.00 0.00 N ATOM 166 CA GLN A 13 1.486 -3.600 -6.740 1.00 0.00 C ATOM 167 C GLN A 13 1.638 -5.097 -6.548 1.00 0.00 C ATOM 168 O GLN A 13 0.682 -5.767 -6.330 1.00 0.00 O ATOM 169 CB GLN A 13 1.519 -3.226 -8.250 1.00 0.00 C ATOM 170 CG GLN A 13 2.561 -3.965 -9.096 1.00 0.00 C ATOM 171 CD GLN A 13 2.794 -3.382 -10.473 1.00 0.00 C ATOM 172 OE1 GLN A 13 2.776 -2.076 -10.584 1.00 0.00 O flip ATOM 173 NE2 GLN A 13 3.078 -4.109 -11.417 1.00 0.00 N flip ATOM 0 H GLN A 13 3.112 -2.294 -6.562 1.00 0.00 H new ATOM 0 HA GLN A 13 0.512 -3.302 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.533 -3.416 -8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.702 -2.155 -8.336 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.508 -3.972 -8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.249 -5.004 -9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.083 -5.122 -11.297 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.310 -3.701 -12.323 1.00 0.00 H new ATOM 182 N THR A 14 2.872 -5.572 -6.545 1.00 0.00 N ATOM 183 CA THR A 14 3.177 -6.984 -6.424 1.00 0.00 C ATOM 184 C THR A 14 2.674 -7.548 -5.084 1.00 0.00 C ATOM 185 O THR A 14 2.230 -8.686 -5.003 1.00 0.00 O ATOM 186 CB THR A 14 4.696 -7.188 -6.602 1.00 0.00 C ATOM 187 OG1 THR A 14 5.077 -6.615 -7.862 1.00 0.00 O ATOM 188 CG2 THR A 14 5.081 -8.650 -6.620 1.00 0.00 C ATOM 0 H THR A 14 3.698 -4.980 -6.628 1.00 0.00 H new ATOM 0 HA THR A 14 2.657 -7.537 -7.206 1.00 0.00 H new ATOM 0 HB THR A 14 5.201 -6.714 -5.760 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.239 -5.655 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.160 -8.741 -6.747 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.786 -9.115 -5.679 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.575 -9.149 -7.446 1.00 0.00 H new ATOM 196 N LEU A 15 2.689 -6.724 -4.063 1.00 0.00 N ATOM 197 CA LEU A 15 2.178 -7.112 -2.764 1.00 0.00 C ATOM 198 C LEU A 15 0.658 -7.157 -2.827 1.00 0.00 C ATOM 199 O LEU A 15 0.029 -8.135 -2.437 1.00 0.00 O ATOM 200 CB LEU A 15 2.621 -6.098 -1.720 1.00 0.00 C ATOM 201 CG LEU A 15 4.130 -5.924 -1.561 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.434 -4.693 -0.734 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.741 -7.154 -0.907 1.00 0.00 C ATOM 0 H LEU A 15 3.052 -5.772 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 15 2.563 -8.094 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.187 -5.131 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.205 -6.391 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 15 4.568 -5.800 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.513 -4.582 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.025 -3.812 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.983 -4.797 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.817 -7.013 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.296 -7.302 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.549 -8.029 -1.527 1.00 0.00 H new ATOM 215 N LEU A 16 0.085 -6.123 -3.402 1.00 0.00 N ATOM 216 CA LEU A 16 -1.363 -5.986 -3.504 1.00 0.00 C ATOM 217 C LEU A 16 -1.964 -6.898 -4.596 1.00 0.00 C ATOM 218 O LEU A 16 -3.166 -7.014 -4.727 1.00 0.00 O ATOM 219 CB LEU A 16 -1.787 -4.513 -3.699 1.00 0.00 C ATOM 220 CG LEU A 16 -1.740 -3.584 -2.455 1.00 0.00 C ATOM 221 CD1 LEU A 16 -0.389 -3.553 -1.788 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.162 -2.189 -2.829 1.00 0.00 C ATOM 0 H LEU A 16 0.605 -5.349 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.774 -6.321 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.149 -4.078 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.805 -4.504 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.439 -4.001 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.424 -2.886 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.123 -4.557 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.358 -3.193 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.124 -1.549 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.488 -1.797 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.179 -2.209 -3.220 1.00 0.00 H new ATOM 234 N GLU A 17 -1.121 -7.518 -5.392 1.00 0.00 N ATOM 235 CA GLU A 17 -1.584 -8.513 -6.345 1.00 0.00 C ATOM 236 C GLU A 17 -1.612 -9.871 -5.675 1.00 0.00 C ATOM 237 O GLU A 17 -2.237 -10.812 -6.156 1.00 0.00 O ATOM 238 CB GLU A 17 -0.721 -8.559 -7.600 1.00 0.00 C ATOM 239 CG GLU A 17 -0.772 -7.303 -8.458 1.00 0.00 C ATOM 240 CD GLU A 17 0.011 -7.465 -9.728 1.00 0.00 C ATOM 241 OE1 GLU A 17 1.251 -7.391 -9.705 1.00 0.00 O ATOM 242 OE2 GLU A 17 -0.607 -7.743 -10.781 1.00 0.00 O ATOM 0 H GLU A 17 -0.114 -7.355 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.588 -8.232 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.313 -8.739 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.033 -9.409 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.809 -7.068 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.377 -6.460 -7.892 1.00 0.00 H new ATOM 249 N GLN A 18 -0.942 -9.957 -4.551 1.00 0.00 N ATOM 250 CA GLN A 18 -0.921 -11.161 -3.757 1.00 0.00 C ATOM 251 C GLN A 18 -1.999 -11.091 -2.684 1.00 0.00 C ATOM 252 O GLN A 18 -2.488 -12.112 -2.205 1.00 0.00 O ATOM 253 CB GLN A 18 0.462 -11.365 -3.143 1.00 0.00 C ATOM 254 CG GLN A 18 1.537 -11.641 -4.181 1.00 0.00 C ATOM 255 CD GLN A 18 2.916 -11.774 -3.586 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.338 -12.860 -3.215 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.634 -10.693 -3.522 1.00 0.00 N ATOM 0 H GLN A 18 -0.394 -9.191 -4.160 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.131 -12.019 -4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.735 -10.477 -2.572 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.422 -12.196 -2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.289 -12.558 -4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.541 -10.834 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.248 -9.805 -3.841 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.584 -10.733 -3.153 1.00 0.00 H new ATOM 266 N LEU A 19 -2.373 -9.879 -2.316 1.00 0.00 N ATOM 267 CA LEU A 19 -3.428 -9.674 -1.354 1.00 0.00 C ATOM 268 C LEU A 19 -4.502 -8.814 -2.015 1.00 0.00 C ATOM 269 O LEU A 19 -4.246 -7.695 -2.399 1.00 0.00 O ATOM 270 CB LEU A 19 -2.866 -8.982 -0.078 1.00 0.00 C ATOM 271 CG LEU A 19 -2.697 -7.452 -0.127 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.866 -6.736 0.518 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.374 -6.970 0.390 1.00 0.00 C ATOM 0 H LEU A 19 -1.956 -9.020 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.856 -10.628 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.525 -9.223 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.895 -9.423 0.146 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.698 -7.189 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.708 -5.659 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.786 -6.995 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.946 -7.038 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.331 -5.883 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.257 -7.274 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.571 -7.402 -0.207 1.00 0.00 H new ATOM 285 N ASN A 20 -5.660 -9.353 -2.225 1.00 0.00 N ATOM 286 CA ASN A 20 -6.745 -8.586 -2.823 1.00 0.00 C ATOM 287 C ASN A 20 -8.088 -9.243 -2.664 1.00 0.00 C ATOM 288 O ASN A 20 -8.961 -8.643 -2.033 1.00 0.00 O ATOM 289 CB ASN A 20 -6.458 -8.158 -4.288 1.00 0.00 C ATOM 290 CG ASN A 20 -6.009 -9.293 -5.175 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.802 -9.955 -5.844 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.737 -9.547 -5.146 1.00 0.00 N ATOM 0 H ASN A 20 -5.895 -10.319 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.794 -7.661 -2.248 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.359 -7.713 -4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.691 -7.384 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.359 -10.321 -5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.115 -8.972 -4.577 1.00 0.00 H new ATOM 299 N GLU A 21 -8.187 -10.521 -3.091 1.00 0.00 N ATOM 300 CA GLU A 21 -9.446 -11.317 -3.150 1.00 0.00 C ATOM 301 C GLU A 21 -10.448 -10.954 -2.056 1.00 0.00 C ATOM 302 O GLU A 21 -11.567 -10.496 -2.335 1.00 0.00 O ATOM 303 CB GLU A 21 -9.125 -12.809 -3.062 1.00 0.00 C ATOM 304 CG GLU A 21 -10.353 -13.700 -3.065 1.00 0.00 C ATOM 305 CD GLU A 21 -10.016 -15.142 -2.900 1.00 0.00 C ATOM 306 OE1 GLU A 21 -9.739 -15.810 -3.913 1.00 0.00 O ATOM 307 OE2 GLU A 21 -10.038 -15.651 -1.759 1.00 0.00 O ATOM 0 H GLU A 21 -7.375 -11.047 -3.414 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.914 -11.077 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.486 -13.084 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.554 -12.995 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.022 -13.393 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.895 -13.562 -4.001 1.00 0.00 H new ATOM 314 N ASP A 22 -10.062 -11.175 -0.835 1.00 0.00 N ATOM 315 CA ASP A 22 -10.892 -10.827 0.296 1.00 0.00 C ATOM 316 C ASP A 22 -9.987 -10.178 1.312 1.00 0.00 C ATOM 317 O ASP A 22 -10.293 -10.028 2.485 1.00 0.00 O ATOM 318 CB ASP A 22 -11.491 -12.103 0.846 1.00 0.00 C ATOM 319 CG ASP A 22 -12.634 -11.877 1.786 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.750 -11.609 1.301 1.00 0.00 O ATOM 321 OD2 ASP A 22 -12.466 -12.019 3.001 1.00 0.00 O ATOM 0 H ASP A 22 -9.168 -11.599 -0.588 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.702 -10.147 0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.832 -12.721 0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.713 -12.665 1.363 1.00 0.00 H new ATOM 326 N GLU A 23 -8.870 -9.770 0.809 1.00 0.00 N ATOM 327 CA GLU A 23 -7.778 -9.266 1.615 1.00 0.00 C ATOM 328 C GLU A 23 -7.748 -7.764 1.543 1.00 0.00 C ATOM 329 O GLU A 23 -7.451 -7.080 2.516 1.00 0.00 O ATOM 330 CB GLU A 23 -6.460 -9.778 1.052 1.00 0.00 C ATOM 331 CG GLU A 23 -6.555 -11.107 0.300 1.00 0.00 C ATOM 332 CD GLU A 23 -7.155 -12.248 1.077 1.00 0.00 C ATOM 333 OE1 GLU A 23 -6.776 -12.476 2.222 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.068 -12.906 0.538 1.00 0.00 O ATOM 0 H GLU A 23 -8.674 -9.772 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.917 -9.598 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.052 -9.024 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.751 -9.891 1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.147 -10.953 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.554 -11.395 -0.021 1.00 0.00 H new ATOM 341 N LEU A 24 -8.082 -7.253 0.370 1.00 0.00 N ATOM 342 CA LEU A 24 -8.022 -5.833 0.095 1.00 0.00 C ATOM 343 C LEU A 24 -9.018 -5.113 0.967 1.00 0.00 C ATOM 344 O LEU A 24 -8.799 -3.995 1.377 1.00 0.00 O ATOM 345 CB LEU A 24 -8.350 -5.573 -1.361 1.00 0.00 C ATOM 346 CG LEU A 24 -7.623 -4.416 -2.007 1.00 0.00 C ATOM 347 CD1 LEU A 24 -6.130 -4.721 -2.110 1.00 0.00 C ATOM 348 CD2 LEU A 24 -8.198 -4.135 -3.366 1.00 0.00 C ATOM 0 H LEU A 24 -8.403 -7.815 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.016 -5.470 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.131 -6.477 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.422 -5.395 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.753 -3.529 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.618 -3.880 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.723 -4.885 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.982 -5.616 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.666 -3.300 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.092 -5.018 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.254 -3.883 -3.269 1.00 0.00 H new ATOM 360 N LYS A 25 -10.092 -5.807 1.258 1.00 0.00 N ATOM 361 CA LYS A 25 -11.163 -5.337 2.110 1.00 0.00 C ATOM 362 C LYS A 25 -10.606 -4.949 3.478 1.00 0.00 C ATOM 363 O LYS A 25 -10.856 -3.849 3.978 1.00 0.00 O ATOM 364 CB LYS A 25 -12.156 -6.468 2.234 1.00 0.00 C ATOM 365 CG LYS A 25 -12.704 -6.899 0.890 1.00 0.00 C ATOM 366 CD LYS A 25 -13.442 -8.199 0.987 1.00 0.00 C ATOM 367 CE LYS A 25 -14.091 -8.545 -0.335 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.939 -9.740 -0.232 1.00 0.00 N ATOM 0 H LYS A 25 -10.252 -6.747 0.897 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.645 -4.454 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.676 -7.319 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.979 -6.157 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.372 -6.129 0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.885 -6.997 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.754 -8.993 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.202 -8.134 1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.692 -7.702 -0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.319 -8.711 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.103 -10.132 -1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.465 -10.452 0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.850 -9.483 0.199 1.00 0.00 H new ATOM 382 N SER A 26 -9.815 -5.842 4.037 1.00 0.00 N ATOM 383 CA SER A 26 -9.146 -5.641 5.260 1.00 0.00 C ATOM 384 C SER A 26 -8.164 -4.486 5.141 1.00 0.00 C ATOM 385 O SER A 26 -8.206 -3.542 5.929 1.00 0.00 O ATOM 386 CB SER A 26 -8.398 -6.907 5.547 1.00 0.00 C ATOM 387 OG SER A 26 -9.284 -8.010 5.687 1.00 0.00 O ATOM 0 H SER A 26 -9.628 -6.754 3.619 1.00 0.00 H new ATOM 0 HA SER A 26 -9.852 -5.401 6.055 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.692 -7.105 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.815 -6.788 6.460 1.00 0.00 H new ATOM 0 HG SER A 26 -8.768 -8.822 5.872 1.00 0.00 H new ATOM 393 N PHE A 27 -7.317 -4.571 4.120 1.00 0.00 N ATOM 394 CA PHE A 27 -6.285 -3.586 3.825 1.00 0.00 C ATOM 395 C PHE A 27 -6.871 -2.169 3.818 1.00 0.00 C ATOM 396 O PHE A 27 -6.386 -1.296 4.530 1.00 0.00 O ATOM 397 CB PHE A 27 -5.659 -3.935 2.462 1.00 0.00 C ATOM 398 CG PHE A 27 -4.536 -3.026 1.972 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.800 -1.767 1.448 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.216 -3.444 2.038 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.778 -0.949 1.008 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.190 -2.630 1.598 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.471 -1.381 1.084 1.00 0.00 C ATOM 0 H PHE A 27 -7.331 -5.347 3.459 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.516 -3.610 4.597 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.274 -4.953 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.451 -3.932 1.713 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.821 -1.422 1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.986 -4.420 2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.002 0.028 0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.167 -2.972 1.656 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.669 -0.743 0.742 1.00 0.00 H new ATOM 413 N LYS A 28 -7.935 -1.978 3.042 1.00 0.00 N ATOM 414 CA LYS A 28 -8.626 -0.689 2.923 1.00 0.00 C ATOM 415 C LYS A 28 -9.099 -0.191 4.284 1.00 0.00 C ATOM 416 O LYS A 28 -8.946 0.974 4.620 1.00 0.00 O ATOM 417 CB LYS A 28 -9.849 -0.825 2.005 1.00 0.00 C ATOM 418 CG LYS A 28 -9.549 -1.153 0.554 1.00 0.00 C ATOM 419 CD LYS A 28 -10.833 -1.510 -0.185 1.00 0.00 C ATOM 420 CE LYS A 28 -10.563 -1.878 -1.629 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.772 -2.374 -2.313 1.00 0.00 N ATOM 0 H LYS A 28 -8.348 -2.717 2.472 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.917 0.025 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.498 -1.603 2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.411 0.108 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.070 -0.300 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.847 -1.985 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.323 -2.344 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.522 -0.666 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.180 -1.006 -2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.786 -2.642 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.820 -1.970 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.734 -3.411 -2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.616 -2.091 -1.775 1.00 0.00 H new ATOM 435 N SER A 29 -9.631 -1.095 5.067 1.00 0.00 N ATOM 436 CA SER A 29 -10.212 -0.768 6.347 1.00 0.00 C ATOM 437 C SER A 29 -9.123 -0.349 7.352 1.00 0.00 C ATOM 438 O SER A 29 -9.300 0.605 8.098 1.00 0.00 O ATOM 439 CB SER A 29 -10.998 -1.982 6.861 1.00 0.00 C ATOM 440 OG SER A 29 -11.806 -1.678 7.991 1.00 0.00 O ATOM 0 H SER A 29 -9.674 -2.087 4.833 1.00 0.00 H new ATOM 0 HA SER A 29 -10.890 0.078 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.631 -2.365 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.300 -2.777 7.123 1.00 0.00 H new ATOM 0 HG SER A 29 -12.285 -2.484 8.277 1.00 0.00 H new ATOM 446 N LEU A 30 -8.012 -1.053 7.332 1.00 0.00 N ATOM 447 CA LEU A 30 -6.872 -0.797 8.223 1.00 0.00 C ATOM 448 C LEU A 30 -6.191 0.501 7.830 1.00 0.00 C ATOM 449 O LEU A 30 -5.719 1.273 8.670 1.00 0.00 O ATOM 450 CB LEU A 30 -5.919 -1.958 8.095 1.00 0.00 C ATOM 451 CG LEU A 30 -6.514 -3.303 8.487 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.662 -4.411 7.979 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.696 -3.414 9.990 1.00 0.00 C ATOM 0 H LEU A 30 -7.861 -1.833 6.692 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.204 -0.700 9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.570 -2.015 7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.045 -1.766 8.717 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.501 -3.380 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.099 -5.367 8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.599 -4.353 6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.662 -4.326 8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.123 -4.387 10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.729 -3.308 10.482 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.367 -2.627 10.334 1.00 0.00 H new ATOM 465 N LEU A 31 -6.171 0.730 6.551 1.00 0.00 N ATOM 466 CA LEU A 31 -5.679 1.951 5.950 1.00 0.00 C ATOM 467 C LEU A 31 -6.584 3.126 6.341 1.00 0.00 C ATOM 468 O LEU A 31 -6.142 4.248 6.472 1.00 0.00 O ATOM 469 CB LEU A 31 -5.632 1.728 4.432 1.00 0.00 C ATOM 470 CG LEU A 31 -5.676 2.937 3.485 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.345 3.652 3.382 1.00 0.00 C ATOM 472 CD2 LEU A 31 -6.205 2.532 2.123 1.00 0.00 C ATOM 0 H LEU A 31 -6.507 0.053 5.866 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.679 2.199 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.719 1.175 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.468 1.079 4.172 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.369 3.658 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.438 4.497 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.048 4.012 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.590 2.962 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.228 3.403 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.555 1.771 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.213 2.131 2.229 1.00 0.00 H new ATOM 484 N TRP A 32 -7.831 2.844 6.568 1.00 0.00 N ATOM 485 CA TRP A 32 -8.748 3.864 6.988 1.00 0.00 C ATOM 486 C TRP A 32 -8.872 3.888 8.504 1.00 0.00 C ATOM 487 O TRP A 32 -9.628 4.672 9.064 1.00 0.00 O ATOM 488 CB TRP A 32 -10.111 3.654 6.337 1.00 0.00 C ATOM 489 CG TRP A 32 -10.545 4.854 5.578 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.567 5.703 5.857 1.00 0.00 C ATOM 491 CD2 TRP A 32 -9.911 5.355 4.420 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.613 6.694 4.910 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.595 6.502 4.018 1.00 0.00 C ATOM 494 CE3 TRP A 32 -8.825 4.920 3.689 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.219 7.236 2.896 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.438 5.638 2.574 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.135 6.790 2.186 1.00 0.00 C ATOM 0 H TRP A 32 -8.239 1.914 6.470 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.358 4.830 6.667 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -10.066 2.795 5.667 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.849 3.421 7.104 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.241 5.612 6.696 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.296 7.451 4.877 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.286 4.032 3.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -10.760 8.122 2.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.588 5.308 1.995 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -8.812 7.336 1.312 1.00 0.00 H new ATOM 508 N ALA A 33 -8.123 3.027 9.159 1.00 0.00 N ATOM 509 CA ALA A 33 -8.174 2.910 10.595 1.00 0.00 C ATOM 510 C ALA A 33 -7.024 3.633 11.249 1.00 0.00 C ATOM 511 O ALA A 33 -7.127 4.038 12.402 1.00 0.00 O ATOM 512 CB ALA A 33 -8.188 1.456 11.021 1.00 0.00 C ATOM 0 H ALA A 33 -7.464 2.391 8.710 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.101 3.379 10.925 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.227 1.396 12.109 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.063 0.962 10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.284 0.963 10.662 1.00 0.00 H new ATOM 518 N PHE A 34 -5.929 3.804 10.531 1.00 0.00 N ATOM 519 CA PHE A 34 -4.792 4.492 11.084 1.00 0.00 C ATOM 520 C PHE A 34 -5.045 6.010 11.039 1.00 0.00 C ATOM 521 O PHE A 34 -5.931 6.465 10.299 1.00 0.00 O ATOM 522 CB PHE A 34 -3.462 4.087 10.348 1.00 0.00 C ATOM 523 CG PHE A 34 -3.284 4.563 8.925 1.00 0.00 C ATOM 524 CD1 PHE A 34 -3.099 5.902 8.631 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.289 3.662 7.892 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.946 6.328 7.343 1.00 0.00 C ATOM 527 CE2 PHE A 34 -3.126 4.085 6.596 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.963 5.423 6.322 1.00 0.00 C ATOM 0 H PHE A 34 -5.809 3.477 9.572 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.664 4.196 12.125 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.624 4.461 10.936 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.393 2.999 10.351 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.075 6.623 9.435 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.422 2.610 8.099 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.812 7.379 7.133 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.126 3.366 5.790 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.849 5.756 5.301 1.00 0.00 H new ATOM 538 N PRO A 35 -4.334 6.803 11.858 1.00 0.00 N ATOM 539 CA PRO A 35 -4.422 8.260 11.795 1.00 0.00 C ATOM 540 C PRO A 35 -3.906 8.746 10.435 1.00 0.00 C ATOM 541 O PRO A 35 -2.722 8.586 10.111 1.00 0.00 O ATOM 542 CB PRO A 35 -3.501 8.731 12.937 1.00 0.00 C ATOM 543 CG PRO A 35 -2.616 7.573 13.223 1.00 0.00 C ATOM 544 CD PRO A 35 -3.418 6.353 12.917 1.00 0.00 C ATOM 0 HA PRO A 35 -5.437 8.643 11.900 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.922 9.606 12.641 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -4.078 9.013 13.818 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.715 7.611 12.611 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.294 7.577 14.264 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.786 5.531 12.579 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.960 5.999 13.793 1.00 0.00 H new ATOM 552 N LEU A 36 -4.789 9.326 9.641 1.00 0.00 N ATOM 553 CA LEU A 36 -4.469 9.707 8.256 1.00 0.00 C ATOM 554 C LEU A 36 -3.543 10.919 8.169 1.00 0.00 C ATOM 555 O LEU A 36 -3.096 11.297 7.066 1.00 0.00 O ATOM 556 CB LEU A 36 -5.742 9.955 7.443 1.00 0.00 C ATOM 557 CG LEU A 36 -6.740 8.786 7.331 1.00 0.00 C ATOM 558 CD1 LEU A 36 -7.850 9.134 6.375 1.00 0.00 C ATOM 559 CD2 LEU A 36 -6.064 7.513 6.877 1.00 0.00 C ATOM 0 H LEU A 36 -5.743 9.549 9.925 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.931 8.861 7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.264 10.805 7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.448 10.247 6.435 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.152 8.616 8.326 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.547 8.298 6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.377 10.017 6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.431 9.338 5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.801 6.713 6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.611 7.671 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.291 7.236 7.594 1.00 0.00 H new ATOM 571 N GLU A 37 -3.284 11.520 9.316 1.00 0.00 N ATOM 572 CA GLU A 37 -2.388 12.655 9.485 1.00 0.00 C ATOM 573 C GLU A 37 -2.914 13.904 8.781 1.00 0.00 C ATOM 574 O GLU A 37 -3.532 14.754 9.415 1.00 0.00 O ATOM 575 CB GLU A 37 -0.935 12.303 9.098 1.00 0.00 C ATOM 576 CG GLU A 37 -0.387 11.126 9.904 1.00 0.00 C ATOM 577 CD GLU A 37 1.061 10.787 9.602 1.00 0.00 C ATOM 578 OE1 GLU A 37 1.942 11.644 9.795 1.00 0.00 O ATOM 579 OE2 GLU A 37 1.352 9.633 9.219 1.00 0.00 O ATOM 0 H GLU A 37 -3.709 11.220 10.193 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.364 12.898 10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.893 12.063 8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.299 13.174 9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.482 11.352 10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.003 10.248 9.708 1.00 0.00 H new ATOM 586 N ASP A 38 -2.730 13.978 7.479 1.00 0.00 N ATOM 587 CA ASP A 38 -3.200 15.117 6.694 1.00 0.00 C ATOM 588 C ASP A 38 -3.345 14.753 5.239 1.00 0.00 C ATOM 589 O ASP A 38 -4.429 14.841 4.668 1.00 0.00 O ATOM 590 CB ASP A 38 -2.258 16.318 6.809 1.00 0.00 C ATOM 591 CG ASP A 38 -2.704 17.481 5.938 1.00 0.00 C ATOM 592 OD1 ASP A 38 -3.633 18.207 6.324 1.00 0.00 O ATOM 593 OD2 ASP A 38 -2.121 17.703 4.861 1.00 0.00 O ATOM 0 H ASP A 38 -2.255 13.260 6.932 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.173 15.391 7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.210 16.642 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.251 16.017 6.522 1.00 0.00 H new ATOM 598 N VAL A 39 -2.262 14.314 4.641 1.00 0.00 N ATOM 599 CA VAL A 39 -2.231 14.019 3.209 1.00 0.00 C ATOM 600 C VAL A 39 -3.152 12.833 2.851 1.00 0.00 C ATOM 601 O VAL A 39 -3.740 12.777 1.771 1.00 0.00 O ATOM 602 CB VAL A 39 -0.781 13.763 2.721 1.00 0.00 C ATOM 603 CG1 VAL A 39 -0.736 13.611 1.219 1.00 0.00 C ATOM 604 CG2 VAL A 39 0.139 14.896 3.158 1.00 0.00 C ATOM 0 H VAL A 39 -1.377 14.149 5.121 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.612 14.898 2.689 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.435 12.834 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.291 13.432 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.360 12.769 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.107 14.522 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.152 14.699 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.215 15.836 2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.140 14.965 4.246 1.00 0.00 H new ATOM 614 N LEU A 40 -3.340 11.929 3.786 1.00 0.00 N ATOM 615 CA LEU A 40 -4.209 10.783 3.558 1.00 0.00 C ATOM 616 C LEU A 40 -5.682 11.151 3.705 1.00 0.00 C ATOM 617 O LEU A 40 -6.564 10.361 3.395 1.00 0.00 O ATOM 618 CB LEU A 40 -3.834 9.587 4.436 1.00 0.00 C ATOM 619 CG LEU A 40 -2.610 8.752 4.031 1.00 0.00 C ATOM 620 CD1 LEU A 40 -2.811 8.121 2.669 1.00 0.00 C ATOM 621 CD2 LEU A 40 -1.322 9.566 4.084 1.00 0.00 C ATOM 0 H LEU A 40 -2.908 11.959 4.709 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.054 10.474 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.667 9.955 5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.695 8.920 4.477 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.507 7.949 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.930 7.535 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.685 7.470 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.963 8.903 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.482 8.937 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.398 10.412 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.164 9.932 5.099 1.00 0.00 H new ATOM 633 N GLN A 41 -5.946 12.384 4.122 1.00 0.00 N ATOM 634 CA GLN A 41 -7.317 12.885 4.197 1.00 0.00 C ATOM 635 C GLN A 41 -7.709 13.398 2.815 1.00 0.00 C ATOM 636 O GLN A 41 -8.836 13.806 2.566 1.00 0.00 O ATOM 637 CB GLN A 41 -7.439 14.002 5.241 1.00 0.00 C ATOM 638 CG GLN A 41 -7.020 13.576 6.640 1.00 0.00 C ATOM 639 CD GLN A 41 -7.191 14.660 7.692 1.00 0.00 C ATOM 640 OE1 GLN A 41 -7.054 15.908 7.316 1.00 0.00 O flip ATOM 641 NE2 GLN A 41 -7.436 14.359 8.857 1.00 0.00 N flip ATOM 0 H GLN A 41 -5.234 13.054 4.413 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.986 12.082 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.827 14.848 4.929 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.472 14.350 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.604 12.704 6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.975 13.267 6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.537 13.379 9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.538 15.089 9.562 1.00 0.00 H new ATOM 650 N LYS A 42 -6.736 13.365 1.932 1.00 0.00 N ATOM 651 CA LYS A 42 -6.869 13.748 0.551 1.00 0.00 C ATOM 652 C LYS A 42 -6.880 12.466 -0.327 1.00 0.00 C ATOM 653 O LYS A 42 -6.726 12.503 -1.545 1.00 0.00 O ATOM 654 CB LYS A 42 -5.697 14.728 0.212 1.00 0.00 C ATOM 655 CG LYS A 42 -5.497 15.081 -1.253 1.00 0.00 C ATOM 656 CD LYS A 42 -6.756 15.629 -1.897 1.00 0.00 C ATOM 657 CE LYS A 42 -6.566 15.784 -3.392 1.00 0.00 C ATOM 658 NZ LYS A 42 -6.121 14.526 -4.031 1.00 0.00 N ATOM 0 H LYS A 42 -5.793 13.057 2.170 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.805 14.270 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.858 15.653 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.771 14.291 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.698 15.818 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.172 14.193 -1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.593 14.960 -1.699 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.007 16.593 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.503 16.108 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.832 16.567 -3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.569 14.434 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.087 14.540 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.394 13.719 -3.435 1.00 0.00 H new ATOM 672 N THR A 43 -7.112 11.336 0.302 1.00 0.00 N ATOM 673 CA THR A 43 -7.127 10.087 -0.413 1.00 0.00 C ATOM 674 C THR A 43 -8.575 9.646 -0.725 1.00 0.00 C ATOM 675 O THR A 43 -9.335 9.305 0.187 1.00 0.00 O ATOM 676 CB THR A 43 -6.367 9.009 0.374 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.084 9.555 0.722 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.150 7.775 -0.488 1.00 0.00 C ATOM 0 H THR A 43 -7.292 11.259 1.303 1.00 0.00 H new ATOM 0 HA THR A 43 -6.617 10.228 -1.366 1.00 0.00 H new ATOM 0 HB THR A 43 -6.938 8.724 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.192 10.485 1.011 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.610 7.021 0.085 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.115 7.373 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.569 8.045 -1.370 1.00 0.00 H new ATOM 686 N PRO A 44 -8.987 9.740 -2.012 1.00 0.00 N ATOM 687 CA PRO A 44 -10.338 9.343 -2.474 1.00 0.00 C ATOM 688 C PRO A 44 -10.642 7.839 -2.296 1.00 0.00 C ATOM 689 O PRO A 44 -10.179 7.000 -3.084 1.00 0.00 O ATOM 690 CB PRO A 44 -10.300 9.691 -3.978 1.00 0.00 C ATOM 691 CG PRO A 44 -8.844 9.671 -4.306 1.00 0.00 C ATOM 692 CD PRO A 44 -8.196 10.298 -3.135 1.00 0.00 C ATOM 0 HA PRO A 44 -11.115 9.848 -1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.855 8.965 -4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.742 10.668 -4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.485 8.653 -4.461 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.635 10.226 -5.221 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.141 10.034 -3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.251 11.386 -3.172 1.00 0.00 H new ATOM 700 N TRP A 45 -11.420 7.510 -1.272 1.00 0.00 N ATOM 701 CA TRP A 45 -11.823 6.127 -0.987 1.00 0.00 C ATOM 702 C TRP A 45 -12.618 5.512 -2.146 1.00 0.00 C ATOM 703 O TRP A 45 -12.509 4.326 -2.389 1.00 0.00 O ATOM 704 CB TRP A 45 -12.622 6.055 0.335 1.00 0.00 C ATOM 705 CG TRP A 45 -13.280 4.714 0.635 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.474 4.284 0.156 1.00 0.00 C ATOM 707 CD2 TRP A 45 -12.798 3.656 1.482 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.777 3.052 0.651 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.771 2.636 1.463 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.661 3.471 2.249 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.633 1.455 2.183 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.522 2.299 2.963 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.503 1.306 2.926 1.00 0.00 C ATOM 0 H TRP A 45 -11.793 8.192 -0.611 1.00 0.00 H new ATOM 0 HA TRP A 45 -10.914 5.536 -0.874 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -11.951 6.302 1.158 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.396 6.822 0.313 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.099 4.842 -0.525 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.626 2.525 0.445 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -10.895 4.232 2.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.392 0.687 2.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.637 2.146 3.563 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.362 0.401 3.499 1.00 0.00 H new ATOM 724 N SER A 46 -13.389 6.314 -2.866 1.00 0.00 N ATOM 725 CA SER A 46 -14.179 5.796 -3.979 1.00 0.00 C ATOM 726 C SER A 46 -13.263 5.119 -5.004 1.00 0.00 C ATOM 727 O SER A 46 -13.568 4.028 -5.506 1.00 0.00 O ATOM 728 CB SER A 46 -15.008 6.913 -4.629 1.00 0.00 C ATOM 729 OG SER A 46 -15.849 6.413 -5.659 1.00 0.00 O ATOM 0 H SER A 46 -13.486 7.316 -2.704 1.00 0.00 H new ATOM 0 HA SER A 46 -14.876 5.051 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.616 7.404 -3.869 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.340 7.670 -5.040 1.00 0.00 H new ATOM 0 HG SER A 46 -16.363 7.151 -6.049 1.00 0.00 H new ATOM 735 N GLU A 47 -12.115 5.733 -5.257 1.00 0.00 N ATOM 736 CA GLU A 47 -11.169 5.159 -6.162 1.00 0.00 C ATOM 737 C GLU A 47 -10.506 3.950 -5.551 1.00 0.00 C ATOM 738 O GLU A 47 -10.335 2.950 -6.229 1.00 0.00 O ATOM 739 CB GLU A 47 -10.121 6.159 -6.630 1.00 0.00 C ATOM 740 CG GLU A 47 -10.688 7.280 -7.469 1.00 0.00 C ATOM 741 CD GLU A 47 -9.620 8.107 -8.126 1.00 0.00 C ATOM 742 OE1 GLU A 47 -9.188 7.749 -9.247 1.00 0.00 O ATOM 743 OE2 GLU A 47 -9.217 9.138 -7.570 1.00 0.00 O ATOM 0 H GLU A 47 -11.831 6.622 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.731 4.849 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.622 6.584 -5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.361 5.633 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.341 6.861 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.305 7.923 -6.841 1.00 0.00 H new ATOM 750 N VAL A 48 -10.180 4.025 -4.251 1.00 0.00 N ATOM 751 CA VAL A 48 -9.496 2.917 -3.560 1.00 0.00 C ATOM 752 C VAL A 48 -10.411 1.688 -3.515 1.00 0.00 C ATOM 753 O VAL A 48 -9.953 0.553 -3.529 1.00 0.00 O ATOM 754 CB VAL A 48 -9.032 3.282 -2.084 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.475 4.674 -1.973 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.073 3.001 -1.001 1.00 0.00 C ATOM 0 H VAL A 48 -10.376 4.833 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.594 2.706 -4.134 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.215 2.588 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.176 4.865 -0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.608 4.772 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.237 5.395 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.670 3.280 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.973 3.583 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.320 1.939 -1.000 1.00 0.00 H new ATOM 766 N GLU A 49 -11.707 1.952 -3.484 1.00 0.00 N ATOM 767 CA GLU A 49 -12.713 0.943 -3.405 1.00 0.00 C ATOM 768 C GLU A 49 -12.771 0.130 -4.643 1.00 0.00 C ATOM 769 O GLU A 49 -12.652 -1.101 -4.614 1.00 0.00 O ATOM 770 CB GLU A 49 -14.056 1.569 -3.180 1.00 0.00 C ATOM 771 CG GLU A 49 -14.711 0.987 -1.987 1.00 0.00 C ATOM 772 CD GLU A 49 -15.005 -0.476 -2.105 1.00 0.00 C ATOM 773 OE1 GLU A 49 -14.124 -1.290 -1.801 1.00 0.00 O ATOM 774 OE2 GLU A 49 -16.127 -0.837 -2.499 1.00 0.00 O ATOM 0 H GLU A 49 -12.082 2.900 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.453 0.293 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.944 2.645 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.685 1.417 -4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.072 1.150 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.643 1.520 -1.801 1.00 0.00 H new ATOM 781 N GLU A 50 -12.905 0.797 -5.740 1.00 0.00 N ATOM 782 CA GLU A 50 -13.084 0.111 -6.973 1.00 0.00 C ATOM 783 C GLU A 50 -11.745 -0.355 -7.562 1.00 0.00 C ATOM 784 O GLU A 50 -11.693 -1.042 -8.592 1.00 0.00 O ATOM 785 CB GLU A 50 -13.868 0.960 -7.949 1.00 0.00 C ATOM 786 CG GLU A 50 -15.267 1.282 -7.463 1.00 0.00 C ATOM 787 CD GLU A 50 -15.998 2.197 -8.388 1.00 0.00 C ATOM 788 OE1 GLU A 50 -16.336 1.780 -9.506 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.243 3.354 -8.023 1.00 0.00 O ATOM 0 H GLU A 50 -12.894 1.815 -5.807 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.667 -0.789 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.328 1.890 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.932 0.440 -8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.831 0.356 -7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.209 1.740 -6.476 1.00 0.00 H new ATOM 796 N ALA A 51 -10.682 0.014 -6.900 1.00 0.00 N ATOM 797 CA ALA A 51 -9.357 -0.365 -7.284 1.00 0.00 C ATOM 798 C ALA A 51 -8.979 -1.634 -6.604 1.00 0.00 C ATOM 799 O ALA A 51 -9.404 -1.908 -5.479 1.00 0.00 O ATOM 800 CB ALA A 51 -8.378 0.706 -6.895 1.00 0.00 C ATOM 0 H ALA A 51 -10.717 0.597 -6.064 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.334 -0.503 -8.365 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.373 0.406 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.641 1.638 -7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.408 0.852 -5.815 1.00 0.00 H new ATOM 806 N ASP A 52 -8.207 -2.402 -7.282 1.00 0.00 N ATOM 807 CA ASP A 52 -7.681 -3.617 -6.764 1.00 0.00 C ATOM 808 C ASP A 52 -6.245 -3.688 -7.136 1.00 0.00 C ATOM 809 O ASP A 52 -5.837 -3.019 -8.098 1.00 0.00 O ATOM 810 CB ASP A 52 -8.428 -4.853 -7.290 1.00 0.00 C ATOM 811 CG ASP A 52 -8.410 -4.994 -8.796 1.00 0.00 C ATOM 812 OD1 ASP A 52 -7.433 -5.536 -9.365 1.00 0.00 O ATOM 813 OD2 ASP A 52 -9.392 -4.574 -9.440 1.00 0.00 O ATOM 0 H ASP A 52 -7.914 -2.200 -8.238 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.807 -3.620 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.987 -5.746 -6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.464 -4.809 -6.953 1.00 0.00 H new ATOM 818 N GLY A 53 -5.481 -4.400 -6.323 1.00 0.00 N ATOM 819 CA GLY A 53 -4.076 -4.667 -6.565 1.00 0.00 C ATOM 820 C GLY A 53 -3.256 -3.464 -6.987 1.00 0.00 C ATOM 821 O GLY A 53 -2.969 -2.571 -6.170 1.00 0.00 O ATOM 0 H GLY A 53 -5.829 -4.816 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.640 -5.084 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.995 -5.431 -7.338 1.00 0.00 H new ATOM 825 N LYS A 54 -2.929 -3.412 -8.279 1.00 0.00 N ATOM 826 CA LYS A 54 -2.065 -2.376 -8.818 1.00 0.00 C ATOM 827 C LYS A 54 -2.707 -1.045 -8.696 1.00 0.00 C ATOM 828 O LYS A 54 -2.051 -0.060 -8.359 1.00 0.00 O ATOM 829 CB LYS A 54 -1.745 -2.577 -10.291 1.00 0.00 C ATOM 830 CG LYS A 54 -0.458 -1.866 -10.675 1.00 0.00 C ATOM 831 CD LYS A 54 -0.517 -0.924 -11.870 1.00 0.00 C ATOM 832 CE LYS A 54 -1.229 0.378 -11.549 1.00 0.00 C ATOM 833 NZ LYS A 54 -0.883 1.435 -12.518 1.00 0.00 N ATOM 0 H LYS A 54 -3.256 -4.085 -8.972 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.144 -2.435 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.653 -3.642 -10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.567 -2.200 -10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.116 -1.296 -9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.299 -2.623 -10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.496 -0.707 -12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.028 -1.420 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.307 0.216 -11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.961 0.702 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.580 2.204 -12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.063 1.808 -12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.888 1.039 -13.480 1.00 0.00 H new ATOM 847 N LYS A 55 -3.990 -0.998 -8.970 1.00 0.00 N ATOM 848 CA LYS A 55 -4.689 0.250 -8.958 1.00 0.00 C ATOM 849 C LYS A 55 -4.679 0.869 -7.586 1.00 0.00 C ATOM 850 O LYS A 55 -4.543 2.066 -7.457 1.00 0.00 O ATOM 851 CB LYS A 55 -6.120 0.144 -9.468 1.00 0.00 C ATOM 852 CG LYS A 55 -6.301 0.270 -10.964 1.00 0.00 C ATOM 853 CD LYS A 55 -5.944 1.676 -11.485 1.00 0.00 C ATOM 854 CE LYS A 55 -6.837 2.778 -10.887 1.00 0.00 C ATOM 855 NZ LYS A 55 -6.508 4.122 -11.422 1.00 0.00 N ATOM 0 H LYS A 55 -4.562 -1.810 -9.202 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.148 0.896 -9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.527 -0.817 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.716 0.917 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.677 -0.469 -11.466 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.335 0.042 -11.222 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.902 1.892 -11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.035 1.690 -12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.882 2.551 -11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.726 2.784 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.999 4.848 -10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.481 4.276 -11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.813 4.185 -12.414 1.00 0.00 H new ATOM 869 N LEU A 56 -4.787 0.042 -6.575 1.00 0.00 N ATOM 870 CA LEU A 56 -4.798 0.528 -5.226 1.00 0.00 C ATOM 871 C LEU A 56 -3.424 1.091 -4.867 1.00 0.00 C ATOM 872 O LEU A 56 -3.322 2.178 -4.312 1.00 0.00 O ATOM 873 CB LEU A 56 -5.228 -0.562 -4.254 1.00 0.00 C ATOM 874 CG LEU A 56 -5.403 -0.107 -2.794 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.404 1.026 -2.690 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.846 -1.251 -1.928 1.00 0.00 C ATOM 0 H LEU A 56 -4.868 -0.971 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.530 1.332 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.171 -0.985 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.490 -1.363 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.434 0.250 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.507 1.326 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.056 1.874 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.370 0.694 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.963 -0.906 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.799 -1.636 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.098 -2.043 -1.961 1.00 0.00 H new ATOM 888 N ALA A 57 -2.374 0.370 -5.259 1.00 0.00 N ATOM 889 CA ALA A 57 -0.982 0.800 -5.045 1.00 0.00 C ATOM 890 C ALA A 57 -0.735 2.158 -5.719 1.00 0.00 C ATOM 891 O ALA A 57 -0.007 3.014 -5.206 1.00 0.00 O ATOM 892 CB ALA A 57 -0.040 -0.235 -5.638 1.00 0.00 C ATOM 0 H ALA A 57 -2.458 -0.529 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.801 0.898 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.992 0.080 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.204 -1.197 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.232 -0.332 -6.707 1.00 0.00 H new ATOM 898 N GLU A 58 -1.397 2.346 -6.848 1.00 0.00 N ATOM 899 CA GLU A 58 -1.306 3.556 -7.649 1.00 0.00 C ATOM 900 C GLU A 58 -1.947 4.736 -6.901 1.00 0.00 C ATOM 901 O GLU A 58 -1.541 5.887 -7.050 1.00 0.00 O ATOM 902 CB GLU A 58 -2.035 3.318 -8.976 1.00 0.00 C ATOM 903 CG GLU A 58 -1.953 4.454 -9.969 1.00 0.00 C ATOM 904 CD GLU A 58 -2.882 4.253 -11.132 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.549 3.485 -12.055 1.00 0.00 O ATOM 906 OE2 GLU A 58 -3.965 4.864 -11.143 1.00 0.00 O ATOM 0 H GLU A 58 -2.026 1.647 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.260 3.797 -7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.626 2.421 -9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.085 3.117 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.196 5.391 -9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.930 4.544 -10.334 1.00 0.00 H new ATOM 913 N ILE A 59 -2.935 4.442 -6.099 1.00 0.00 N ATOM 914 CA ILE A 59 -3.620 5.457 -5.339 1.00 0.00 C ATOM 915 C ILE A 59 -2.812 5.812 -4.082 1.00 0.00 C ATOM 916 O ILE A 59 -2.850 6.947 -3.608 1.00 0.00 O ATOM 917 CB ILE A 59 -5.061 5.004 -5.015 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.777 4.721 -6.336 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.810 6.093 -4.244 1.00 0.00 C ATOM 920 CD1 ILE A 59 -6.978 3.844 -6.215 1.00 0.00 C ATOM 0 H ILE A 59 -3.288 3.496 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.701 6.367 -5.934 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.034 4.109 -4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.079 5.669 -6.781 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.071 4.256 -7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.823 5.753 -4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.288 6.302 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.853 7.001 -4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.422 3.697 -7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.684 2.879 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.707 4.314 -5.555 1.00 0.00 H new ATOM 932 N LEU A 60 -2.028 4.856 -3.583 1.00 0.00 N ATOM 933 CA LEU A 60 -1.118 5.130 -2.465 1.00 0.00 C ATOM 934 C LEU A 60 -0.074 6.167 -2.868 1.00 0.00 C ATOM 935 O LEU A 60 0.225 7.085 -2.107 1.00 0.00 O ATOM 936 CB LEU A 60 -0.419 3.857 -1.914 1.00 0.00 C ATOM 937 CG LEU A 60 -1.155 3.028 -0.829 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.436 3.867 0.409 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.432 2.402 -1.352 1.00 0.00 C ATOM 0 H LEU A 60 -2.002 3.896 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.736 5.523 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.217 3.197 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.546 4.157 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.486 2.214 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.953 3.259 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.495 4.227 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.062 4.717 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.911 1.832 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.108 3.186 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.197 1.737 -2.183 1.00 0.00 H new ATOM 951 N VAL A 61 0.433 6.058 -4.101 1.00 0.00 N ATOM 952 CA VAL A 61 1.448 7.001 -4.592 1.00 0.00 C ATOM 953 C VAL A 61 0.803 8.306 -5.071 1.00 0.00 C ATOM 954 O VAL A 61 1.486 9.225 -5.525 1.00 0.00 O ATOM 955 CB VAL A 61 2.331 6.407 -5.736 1.00 0.00 C ATOM 956 CG1 VAL A 61 3.007 5.124 -5.298 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.538 6.184 -7.009 1.00 0.00 C ATOM 0 H VAL A 61 0.163 5.337 -4.770 1.00 0.00 H new ATOM 0 HA VAL A 61 2.101 7.204 -3.743 1.00 0.00 H new ATOM 0 HB VAL A 61 3.103 7.145 -5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.614 4.735 -6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.644 5.324 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.250 4.388 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.192 5.770 -7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.723 5.488 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.129 7.134 -7.354 1.00 0.00 H new ATOM 967 N ASN A 62 -0.507 8.376 -4.968 1.00 0.00 N ATOM 968 CA ASN A 62 -1.237 9.562 -5.373 1.00 0.00 C ATOM 969 C ASN A 62 -1.223 10.577 -4.226 1.00 0.00 C ATOM 970 O ASN A 62 -1.218 11.795 -4.442 1.00 0.00 O ATOM 971 CB ASN A 62 -2.688 9.192 -5.796 1.00 0.00 C ATOM 972 CG ASN A 62 -3.524 10.359 -6.297 1.00 0.00 C ATOM 973 OD1 ASN A 62 -3.014 11.341 -6.829 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.822 10.233 -6.163 1.00 0.00 N ATOM 0 H ASN A 62 -1.092 7.623 -4.606 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.755 10.013 -6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.641 8.435 -6.579 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.195 8.739 -4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.444 10.965 -6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.210 9.403 -5.716 1.00 0.00 H new ATOM 981 N THR A 63 -1.190 10.072 -3.009 1.00 0.00 N ATOM 982 CA THR A 63 -1.166 10.918 -1.842 1.00 0.00 C ATOM 983 C THR A 63 0.128 10.802 -1.044 1.00 0.00 C ATOM 984 O THR A 63 0.800 11.797 -0.791 1.00 0.00 O ATOM 985 CB THR A 63 -2.395 10.644 -0.940 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.639 9.225 -0.883 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.610 11.358 -1.499 1.00 0.00 C ATOM 0 H THR A 63 -1.179 9.072 -2.806 1.00 0.00 H new ATOM 0 HA THR A 63 -1.213 11.945 -2.204 1.00 0.00 H new ATOM 0 HB THR A 63 -2.199 11.016 0.066 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.603 9.057 -0.930 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.472 11.163 -0.861 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.419 12.431 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.814 10.995 -2.506 1.00 0.00 H new ATOM 995 N SER A 64 0.502 9.612 -0.702 1.00 0.00 N ATOM 996 CA SER A 64 1.600 9.423 0.198 1.00 0.00 C ATOM 997 C SER A 64 2.953 9.415 -0.509 1.00 0.00 C ATOM 998 O SER A 64 3.075 8.957 -1.655 1.00 0.00 O ATOM 999 CB SER A 64 1.392 8.119 0.919 1.00 0.00 C ATOM 1000 OG SER A 64 0.097 8.067 1.461 1.00 0.00 O ATOM 0 H SER A 64 0.064 8.752 -1.032 1.00 0.00 H new ATOM 0 HA SER A 64 1.621 10.263 0.893 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.540 7.287 0.231 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.131 8.012 1.713 1.00 0.00 H new ATOM 0 HG SER A 64 0.109 7.538 2.286 1.00 0.00 H new ATOM 1006 N SER A 65 3.948 9.954 0.168 1.00 0.00 N ATOM 1007 CA SER A 65 5.318 9.868 -0.260 1.00 0.00 C ATOM 1008 C SER A 65 5.765 8.432 -0.073 1.00 0.00 C ATOM 1009 O SER A 65 5.291 7.760 0.848 1.00 0.00 O ATOM 1010 CB SER A 65 6.189 10.798 0.601 1.00 0.00 C ATOM 1011 OG SER A 65 7.571 10.586 0.354 1.00 0.00 O ATOM 0 H SER A 65 3.820 10.468 1.039 1.00 0.00 H new ATOM 0 HA SER A 65 5.415 10.169 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.935 11.837 0.389 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.975 10.626 1.656 1.00 0.00 H new ATOM 0 HG SER A 65 8.100 11.192 0.914 1.00 0.00 H new ATOM 1017 N GLU A 66 6.681 7.955 -0.893 1.00 0.00 N ATOM 1018 CA GLU A 66 7.149 6.587 -0.793 1.00 0.00 C ATOM 1019 C GLU A 66 7.883 6.369 0.519 1.00 0.00 C ATOM 1020 O GLU A 66 7.889 5.272 1.057 1.00 0.00 O ATOM 1021 CB GLU A 66 8.020 6.173 -1.992 1.00 0.00 C ATOM 1022 CG GLU A 66 9.415 6.815 -2.099 1.00 0.00 C ATOM 1023 CD GLU A 66 9.426 8.315 -2.308 1.00 0.00 C ATOM 1024 OE1 GLU A 66 8.406 8.889 -2.703 1.00 0.00 O ATOM 1025 OE2 GLU A 66 10.484 8.940 -2.097 1.00 0.00 O ATOM 0 H GLU A 66 7.117 8.497 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 66 6.269 5.944 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.147 5.091 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.471 6.403 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.971 6.588 -1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.950 6.346 -2.925 1.00 0.00 H new ATOM 1032 N ASN A 67 8.405 7.462 1.073 1.00 0.00 N ATOM 1033 CA ASN A 67 9.122 7.446 2.346 1.00 0.00 C ATOM 1034 C ASN A 67 8.131 7.233 3.499 1.00 0.00 C ATOM 1035 O ASN A 67 8.502 6.900 4.616 1.00 0.00 O ATOM 1036 CB ASN A 67 9.922 8.756 2.502 1.00 0.00 C ATOM 1037 CG ASN A 67 10.781 8.831 3.761 1.00 0.00 C ATOM 1038 OD1 ASN A 67 10.378 9.387 4.791 1.00 0.00 O ATOM 1039 ND2 ASN A 67 11.949 8.257 3.702 1.00 0.00 N ATOM 0 H ASN A 67 8.342 8.388 0.649 1.00 0.00 H new ATOM 0 HA ASN A 67 9.831 6.618 2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.566 8.879 1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.225 9.594 2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.559 8.258 4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.253 7.807 2.839 1.00 0.00 H new ATOM 1046 N TRP A 68 6.864 7.392 3.188 1.00 0.00 N ATOM 1047 CA TRP A 68 5.806 7.145 4.121 1.00 0.00 C ATOM 1048 C TRP A 68 5.148 5.791 3.763 1.00 0.00 C ATOM 1049 O TRP A 68 4.896 4.952 4.639 1.00 0.00 O ATOM 1050 CB TRP A 68 4.792 8.296 4.045 1.00 0.00 C ATOM 1051 CG TRP A 68 3.729 8.275 5.099 1.00 0.00 C ATOM 1052 CD1 TRP A 68 3.749 8.931 6.294 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.489 7.571 5.055 1.00 0.00 C ATOM 1054 NE1 TRP A 68 2.590 8.682 6.985 1.00 0.00 N ATOM 1055 CE2 TRP A 68 1.810 7.850 6.249 1.00 0.00 C ATOM 1056 CE3 TRP A 68 1.885 6.732 4.123 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 0.567 7.327 6.529 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 0.652 6.214 4.407 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.011 6.513 5.598 1.00 0.00 C ATOM 0 H TRP A 68 6.544 7.700 2.270 1.00 0.00 H new ATOM 0 HA TRP A 68 6.185 7.094 5.142 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.332 9.240 4.114 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.312 8.273 3.066 1.00 0.00 H new ATOM 0 HD1 TRP A 68 4.558 9.555 6.645 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.353 9.060 7.902 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.381 6.495 3.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.056 7.556 7.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.171 5.562 3.693 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.961 6.085 5.791 1.00 0.00 H new ATOM 1070 N ILE A 69 4.918 5.569 2.452 1.00 0.00 N ATOM 1071 CA ILE A 69 4.286 4.329 1.942 1.00 0.00 C ATOM 1072 C ILE A 69 5.078 3.100 2.365 1.00 0.00 C ATOM 1073 O ILE A 69 4.492 2.064 2.689 1.00 0.00 O ATOM 1074 CB ILE A 69 4.155 4.308 0.390 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.388 5.514 -0.107 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.438 3.037 -0.063 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.325 5.620 -1.614 1.00 0.00 C ATOM 0 H ILE A 69 5.162 6.237 1.721 1.00 0.00 H new ATOM 0 HA ILE A 69 3.286 4.311 2.376 1.00 0.00 H new ATOM 0 HB ILE A 69 5.161 4.332 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.373 5.475 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.851 6.417 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.353 3.035 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.007 2.164 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.442 3.004 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.759 6.509 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.336 5.692 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.835 4.736 -2.021 1.00 0.00 H new ATOM 1089 N ARG A 70 6.409 3.230 2.372 1.00 0.00 N ATOM 1090 CA ARG A 70 7.318 2.151 2.776 1.00 0.00 C ATOM 1091 C ARG A 70 6.926 1.550 4.123 1.00 0.00 C ATOM 1092 O ARG A 70 7.050 0.361 4.327 1.00 0.00 O ATOM 1093 CB ARG A 70 8.771 2.640 2.846 1.00 0.00 C ATOM 1094 CG ARG A 70 8.964 3.869 3.710 1.00 0.00 C ATOM 1095 CD ARG A 70 10.411 4.092 4.064 1.00 0.00 C ATOM 1096 NE ARG A 70 10.873 3.066 5.007 1.00 0.00 N ATOM 1097 CZ ARG A 70 11.492 3.323 6.167 1.00 0.00 C ATOM 1098 NH1 ARG A 70 11.735 4.566 6.537 1.00 0.00 N ATOM 1099 NH2 ARG A 70 11.838 2.322 6.963 1.00 0.00 N ATOM 0 H ARG A 70 6.888 4.088 2.097 1.00 0.00 H new ATOM 0 HA ARG A 70 7.235 1.378 2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.397 1.835 3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.119 2.859 1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.581 4.744 3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.380 3.764 4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.021 4.066 3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.536 5.081 4.504 1.00 0.00 H new ATOM 0 HE ARG A 70 10.711 2.089 4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.451 5.341 5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.207 4.752 7.422 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.633 1.360 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.309 2.513 7.847 1.00 0.00 H new ATOM 1113 N ASN A 71 6.433 2.381 5.019 1.00 0.00 N ATOM 1114 CA ASN A 71 6.032 1.918 6.325 1.00 0.00 C ATOM 1115 C ASN A 71 4.588 1.463 6.286 1.00 0.00 C ATOM 1116 O ASN A 71 4.244 0.434 6.847 1.00 0.00 O ATOM 1117 CB ASN A 71 6.239 3.016 7.382 1.00 0.00 C ATOM 1118 CG ASN A 71 5.859 2.573 8.792 1.00 0.00 C ATOM 1119 OD1 ASN A 71 6.667 1.985 9.502 1.00 0.00 O ATOM 1120 ND2 ASN A 71 4.662 2.891 9.224 1.00 0.00 N ATOM 0 H ASN A 71 6.302 3.380 4.863 1.00 0.00 H new ATOM 0 HA ASN A 71 6.656 1.070 6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.284 3.326 7.375 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.646 3.889 7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.382 2.649 10.174 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.011 3.380 8.610 1.00 0.00 H new ATOM 1127 N ALA A 72 3.767 2.212 5.566 1.00 0.00 N ATOM 1128 CA ALA A 72 2.335 1.943 5.443 1.00 0.00 C ATOM 1129 C ALA A 72 2.041 0.546 4.900 1.00 0.00 C ATOM 1130 O ALA A 72 1.324 -0.225 5.524 1.00 0.00 O ATOM 1131 CB ALA A 72 1.679 2.979 4.559 1.00 0.00 C ATOM 0 H ALA A 72 4.075 3.032 5.044 1.00 0.00 H new ATOM 0 HA ALA A 72 1.920 1.996 6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.613 2.765 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.818 3.969 4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.132 2.951 3.568 1.00 0.00 H new ATOM 1137 N THR A 73 2.652 0.204 3.778 1.00 0.00 N ATOM 1138 CA THR A 73 2.391 -1.074 3.096 1.00 0.00 C ATOM 1139 C THR A 73 3.090 -2.232 3.812 1.00 0.00 C ATOM 1140 O THR A 73 3.071 -3.362 3.360 1.00 0.00 O ATOM 1141 CB THR A 73 2.830 -1.007 1.609 1.00 0.00 C ATOM 1142 OG1 THR A 73 2.363 -2.152 0.892 1.00 0.00 O ATOM 1143 CG2 THR A 73 4.356 -0.927 1.482 1.00 0.00 C ATOM 0 H THR A 73 3.340 0.793 3.309 1.00 0.00 H new ATOM 0 HA THR A 73 1.317 -1.255 3.128 1.00 0.00 H new ATOM 0 HB THR A 73 2.391 -0.105 1.183 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.452 -2.949 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.632 -0.881 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.717 -0.033 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.806 -1.810 1.937 1.00 0.00 H new ATOM 1151 N VAL A 74 3.735 -1.928 4.870 1.00 0.00 N ATOM 1152 CA VAL A 74 4.226 -2.939 5.736 1.00 0.00 C ATOM 1153 C VAL A 74 3.258 -3.035 6.897 1.00 0.00 C ATOM 1154 O VAL A 74 2.706 -4.082 7.153 1.00 0.00 O ATOM 1155 CB VAL A 74 5.686 -2.671 6.208 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.108 -3.661 7.284 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.630 -2.784 5.019 1.00 0.00 C ATOM 0 H VAL A 74 3.941 -0.974 5.166 1.00 0.00 H new ATOM 0 HA VAL A 74 4.281 -3.889 5.205 1.00 0.00 H new ATOM 0 HB VAL A 74 5.731 -1.667 6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.131 -3.448 7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.443 -3.570 8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.052 -4.675 6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.652 -2.597 5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.563 -3.786 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.352 -2.050 4.262 1.00 0.00 H new ATOM 1167 N ASN A 75 2.980 -1.887 7.506 1.00 0.00 N ATOM 1168 CA ASN A 75 2.063 -1.740 8.657 1.00 0.00 C ATOM 1169 C ASN A 75 0.710 -2.393 8.419 1.00 0.00 C ATOM 1170 O ASN A 75 0.245 -3.137 9.263 1.00 0.00 O ATOM 1171 CB ASN A 75 1.868 -0.251 8.985 1.00 0.00 C ATOM 1172 CG ASN A 75 0.869 0.007 10.114 1.00 0.00 C ATOM 1173 OD1 ASN A 75 -0.323 0.193 9.870 1.00 0.00 O ATOM 1174 ND2 ASN A 75 1.343 0.025 11.333 1.00 0.00 N ATOM 0 H ASN A 75 3.392 -1.001 7.213 1.00 0.00 H new ATOM 0 HA ASN A 75 2.526 -2.254 9.499 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.831 0.180 9.259 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.530 0.268 8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.718 0.198 12.121 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.337 -0.134 11.496 1.00 0.00 H new ATOM 1181 N ILE A 76 0.096 -2.129 7.268 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.231 -2.710 6.946 1.00 0.00 C ATOM 1183 C ILE A 76 -1.128 -4.241 6.913 1.00 0.00 C ATOM 1184 O ILE A 76 -2.005 -4.960 7.394 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.760 -2.264 5.552 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.664 -0.751 5.350 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.205 -2.704 5.388 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.534 0.076 6.242 1.00 0.00 C ATOM 0 H ILE A 76 0.480 -1.525 6.542 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.916 -2.358 7.718 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.130 -2.738 4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.628 -0.447 5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.916 -0.524 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.572 -2.390 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.266 -3.789 5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.815 -2.249 6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.388 1.132 6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.579 -0.189 6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.270 -0.111 7.283 1.00 0.00 H new ATOM 1200 N LEU A 77 -0.036 -4.719 6.376 1.00 0.00 N ATOM 1201 CA LEU A 77 0.194 -6.134 6.231 1.00 0.00 C ATOM 1202 C LEU A 77 0.517 -6.761 7.589 1.00 0.00 C ATOM 1203 O LEU A 77 0.074 -7.876 7.887 1.00 0.00 O ATOM 1204 CB LEU A 77 1.269 -6.421 5.155 1.00 0.00 C ATOM 1205 CG LEU A 77 0.855 -6.195 3.659 1.00 0.00 C ATOM 1206 CD1 LEU A 77 0.440 -4.769 3.350 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.945 -6.664 2.713 1.00 0.00 C ATOM 0 H LEU A 77 0.723 -4.135 6.025 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.720 -6.608 5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.135 -5.794 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.591 -7.457 5.265 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.034 -6.806 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.168 -4.689 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.416 -4.497 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.270 -4.095 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.630 -6.495 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.861 -6.107 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.127 -7.728 2.867 1.00 0.00 H new ATOM 1219 N GLU A 78 1.236 -6.014 8.415 1.00 0.00 N ATOM 1220 CA GLU A 78 1.510 -6.383 9.804 1.00 0.00 C ATOM 1221 C GLU A 78 0.172 -6.507 10.544 1.00 0.00 C ATOM 1222 O GLU A 78 -0.066 -7.466 11.276 1.00 0.00 O ATOM 1223 CB GLU A 78 2.351 -5.288 10.478 1.00 0.00 C ATOM 1224 CG GLU A 78 3.697 -5.017 9.834 1.00 0.00 C ATOM 1225 CD GLU A 78 4.685 -6.142 9.959 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.633 -7.093 9.177 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.599 -6.047 10.815 1.00 0.00 O ATOM 0 H GLU A 78 1.652 -5.124 8.140 1.00 0.00 H new ATOM 0 HA GLU A 78 2.056 -7.326 9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.776 -4.362 10.483 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.514 -5.567 11.519 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.543 -4.801 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.127 -4.121 10.283 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.713 -5.538 10.296 1.00 0.00 N ATOM 1235 CA GLU A 79 -2.062 -5.501 10.861 1.00 0.00 C ATOM 1236 C GLU A 79 -2.895 -6.711 10.424 1.00 0.00 C ATOM 1237 O GLU A 79 -3.771 -7.175 11.169 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.772 -4.207 10.473 1.00 0.00 C ATOM 1239 CG GLU A 79 -2.228 -2.949 11.135 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.420 -2.934 12.635 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -3.497 -2.501 13.106 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -1.495 -3.334 13.371 1.00 0.00 O ATOM 0 H GLU A 79 -0.508 -4.745 9.687 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.960 -5.540 11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.709 -4.086 9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.829 -4.302 10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.165 -2.859 10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.720 -2.077 10.704 1.00 0.00 H new ATOM 1249 N MET A 80 -2.605 -7.242 9.235 1.00 0.00 N ATOM 1250 CA MET A 80 -3.320 -8.406 8.720 1.00 0.00 C ATOM 1251 C MET A 80 -2.618 -9.691 9.128 1.00 0.00 C ATOM 1252 O MET A 80 -3.102 -10.789 8.840 1.00 0.00 O ATOM 1253 CB MET A 80 -3.496 -8.338 7.188 1.00 0.00 C ATOM 1254 CG MET A 80 -4.500 -7.291 6.729 1.00 0.00 C ATOM 1255 SD MET A 80 -4.727 -7.211 4.933 1.00 0.00 S ATOM 1256 CE MET A 80 -3.146 -6.573 4.409 1.00 0.00 C ATOM 0 H MET A 80 -1.881 -6.884 8.613 1.00 0.00 H new ATOM 0 HA MET A 80 -4.316 -8.401 9.162 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.530 -8.126 6.730 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.813 -9.315 6.825 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.463 -7.499 7.196 1.00 0.00 H new ATOM 0 HG3 MET A 80 -4.177 -6.313 7.086 1.00 0.00 H new ATOM 0 HE1 MET A 80 -3.275 -5.571 4.001 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.469 -6.533 5.262 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.726 -7.225 3.643 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.475 -9.528 9.811 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.637 -10.628 10.328 1.00 0.00 C ATOM 1268 C ASN A 81 -0.055 -11.437 9.161 1.00 0.00 C ATOM 1269 O ASN A 81 0.208 -12.636 9.240 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.437 -11.488 11.344 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.604 -12.497 12.107 1.00 0.00 C ATOM 1272 OD1 ASN A 81 0.069 -12.164 13.085 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -0.711 -13.718 11.743 1.00 0.00 N ATOM 0 H ASN A 81 -1.096 -8.606 10.026 1.00 0.00 H new ATOM 0 HA ASN A 81 0.212 -10.223 10.879 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.924 -10.824 12.058 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.227 -12.017 10.810 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.232 -14.450 12.267 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.276 -13.960 10.929 1.00 0.00 H new ATOM 1280 N LEU A 82 0.203 -10.730 8.098 1.00 0.00 N ATOM 1281 CA LEU A 82 0.764 -11.294 6.909 1.00 0.00 C ATOM 1282 C LEU A 82 2.276 -11.317 7.026 1.00 0.00 C ATOM 1283 O LEU A 82 2.885 -10.292 7.276 1.00 0.00 O ATOM 1284 CB LEU A 82 0.363 -10.448 5.695 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.110 -10.450 5.288 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.310 -9.568 4.073 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.595 -11.858 4.997 1.00 0.00 C ATOM 0 H LEU A 82 0.025 -9.728 8.035 1.00 0.00 H new ATOM 0 HA LEU A 82 0.390 -12.310 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.656 -9.417 5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.948 -10.788 4.840 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.695 -10.057 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.362 -9.574 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.004 -8.549 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.708 -9.946 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.646 -11.829 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.008 -12.284 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.479 -12.474 5.889 1.00 0.00 H new ATOM 1299 N THR A 83 2.866 -12.473 6.896 1.00 0.00 N ATOM 1300 CA THR A 83 4.302 -12.588 6.905 1.00 0.00 C ATOM 1301 C THR A 83 4.849 -12.714 5.502 1.00 0.00 C ATOM 1302 O THR A 83 5.433 -11.782 4.997 1.00 0.00 O ATOM 1303 CB THR A 83 4.748 -13.783 7.742 1.00 0.00 C ATOM 1304 OG1 THR A 83 3.841 -14.879 7.506 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.808 -13.445 9.219 1.00 0.00 C ATOM 0 H THR A 83 2.371 -13.358 6.781 1.00 0.00 H new ATOM 0 HA THR A 83 4.699 -11.677 7.352 1.00 0.00 H new ATOM 0 HB THR A 83 5.757 -14.065 7.442 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.119 -15.654 8.038 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.130 -14.322 9.780 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.517 -12.633 9.378 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.820 -13.137 9.562 1.00 0.00 H new ATOM 1313 N GLU A 84 4.585 -13.853 4.880 1.00 0.00 N ATOM 1314 CA GLU A 84 5.088 -14.247 3.550 1.00 0.00 C ATOM 1315 C GLU A 84 5.285 -13.087 2.543 1.00 0.00 C ATOM 1316 O GLU A 84 6.420 -12.778 2.161 1.00 0.00 O ATOM 1317 CB GLU A 84 4.203 -15.361 2.985 1.00 0.00 C ATOM 1318 CG GLU A 84 2.707 -15.069 3.028 1.00 0.00 C ATOM 1319 CD GLU A 84 1.890 -16.256 2.606 1.00 0.00 C ATOM 1320 OE1 GLU A 84 1.643 -16.432 1.403 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.497 -17.043 3.463 1.00 0.00 O ATOM 0 H GLU A 84 3.989 -14.568 5.298 1.00 0.00 H new ATOM 0 HA GLU A 84 6.102 -14.616 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.493 -15.548 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.397 -16.278 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.424 -14.775 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.483 -14.225 2.376 1.00 0.00 H new ATOM 1328 N LEU A 85 4.216 -12.432 2.161 1.00 0.00 N ATOM 1329 CA LEU A 85 4.299 -11.330 1.215 1.00 0.00 C ATOM 1330 C LEU A 85 4.826 -10.056 1.867 1.00 0.00 C ATOM 1331 O LEU A 85 5.508 -9.286 1.237 1.00 0.00 O ATOM 1332 CB LEU A 85 2.965 -11.056 0.480 1.00 0.00 C ATOM 1333 CG LEU A 85 1.738 -10.641 1.320 1.00 0.00 C ATOM 1334 CD1 LEU A 85 0.663 -10.097 0.414 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.166 -11.817 2.107 1.00 0.00 C ATOM 0 H LEU A 85 3.272 -12.639 2.488 1.00 0.00 H new ATOM 0 HA LEU A 85 5.017 -11.649 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.145 -10.271 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.700 -11.957 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 85 2.067 -9.879 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.202 -9.805 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.044 -9.228 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.368 -10.864 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.304 -11.483 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.858 -12.602 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.927 -12.207 2.783 1.00 0.00 H new ATOM 1347 N CYS A 86 4.555 -9.875 3.142 1.00 0.00 N ATOM 1348 CA CYS A 86 4.997 -8.678 3.854 1.00 0.00 C ATOM 1349 C CYS A 86 6.518 -8.661 3.931 1.00 0.00 C ATOM 1350 O CYS A 86 7.139 -7.617 3.865 1.00 0.00 O ATOM 1351 CB CYS A 86 4.419 -8.646 5.258 1.00 0.00 C ATOM 1352 SG CYS A 86 4.752 -7.122 6.183 1.00 0.00 S ATOM 0 H CYS A 86 4.031 -10.537 3.714 1.00 0.00 H new ATOM 0 HA CYS A 86 4.645 -7.801 3.310 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.340 -8.788 5.195 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.819 -9.490 5.820 1.00 0.00 H new ATOM 0 HG CYS A 86 4.786 -7.386 7.456 1.00 0.00 H new ATOM 1358 N LYS A 87 7.106 -9.846 4.029 1.00 0.00 N ATOM 1359 CA LYS A 87 8.547 -10.018 4.066 1.00 0.00 C ATOM 1360 C LYS A 87 9.183 -9.577 2.762 1.00 0.00 C ATOM 1361 O LYS A 87 10.328 -9.140 2.736 1.00 0.00 O ATOM 1362 CB LYS A 87 8.883 -11.454 4.397 1.00 0.00 C ATOM 1363 CG LYS A 87 8.405 -11.854 5.784 1.00 0.00 C ATOM 1364 CD LYS A 87 8.469 -13.346 5.999 1.00 0.00 C ATOM 1365 CE LYS A 87 9.878 -13.864 5.965 1.00 0.00 C ATOM 1366 NZ LYS A 87 10.687 -13.377 7.097 1.00 0.00 N ATOM 0 H LYS A 87 6.588 -10.723 4.085 1.00 0.00 H new ATOM 0 HA LYS A 87 8.960 -9.382 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.429 -12.111 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.962 -11.597 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.016 -11.354 6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.380 -11.511 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.016 -13.593 6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.881 -13.848 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.861 -14.954 5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.350 -13.563 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.584 -13.902 7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.884 -12.364 6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.164 -13.521 7.985 1.00 0.00 H new ATOM 1380 N MET A 88 8.407 -9.632 1.694 1.00 0.00 N ATOM 1381 CA MET A 88 8.856 -9.154 0.406 1.00 0.00 C ATOM 1382 C MET A 88 8.927 -7.643 0.463 1.00 0.00 C ATOM 1383 O MET A 88 9.842 -7.033 -0.049 1.00 0.00 O ATOM 1384 CB MET A 88 7.898 -9.585 -0.709 1.00 0.00 C ATOM 1385 CG MET A 88 7.785 -11.086 -0.905 1.00 0.00 C ATOM 1386 SD MET A 88 6.582 -11.524 -2.177 1.00 0.00 S ATOM 1387 CE MET A 88 6.700 -13.313 -2.142 1.00 0.00 C ATOM 0 H MET A 88 7.458 -10.006 1.698 1.00 0.00 H new ATOM 0 HA MET A 88 9.835 -9.579 0.185 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.907 -9.185 -0.493 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.226 -9.134 -1.645 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.761 -11.489 -1.177 1.00 0.00 H new ATOM 0 HG3 MET A 88 7.499 -11.552 0.038 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.014 -13.737 -2.875 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.720 -13.615 -2.381 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.438 -13.676 -1.148 1.00 0.00 H new ATOM 1397 N ALA A 89 7.979 -7.053 1.159 1.00 0.00 N ATOM 1398 CA ALA A 89 7.920 -5.614 1.317 1.00 0.00 C ATOM 1399 C ALA A 89 9.021 -5.152 2.250 1.00 0.00 C ATOM 1400 O ALA A 89 9.618 -4.102 2.037 1.00 0.00 O ATOM 1401 CB ALA A 89 6.574 -5.193 1.858 1.00 0.00 C ATOM 0 H ALA A 89 7.228 -7.556 1.631 1.00 0.00 H new ATOM 0 HA ALA A 89 8.060 -5.151 0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.550 -4.109 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.791 -5.504 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.409 -5.661 2.828 1.00 0.00 H new ATOM 1407 N LYS A 90 9.273 -5.954 3.291 1.00 0.00 N ATOM 1408 CA LYS A 90 10.369 -5.718 4.244 1.00 0.00 C ATOM 1409 C LYS A 90 11.663 -5.606 3.461 1.00 0.00 C ATOM 1410 O LYS A 90 12.477 -4.716 3.682 1.00 0.00 O ATOM 1411 CB LYS A 90 10.532 -6.920 5.200 1.00 0.00 C ATOM 1412 CG LYS A 90 9.322 -7.315 6.025 1.00 0.00 C ATOM 1413 CD LYS A 90 9.049 -6.391 7.175 1.00 0.00 C ATOM 1414 CE LYS A 90 7.845 -6.895 7.948 1.00 0.00 C ATOM 1415 NZ LYS A 90 7.770 -6.329 9.301 1.00 0.00 N ATOM 0 H LYS A 90 8.723 -6.787 3.499 1.00 0.00 H new ATOM 0 HA LYS A 90 10.146 -4.815 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.835 -7.784 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.351 -6.699 5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.446 -7.344 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.469 -8.325 6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.919 -6.339 7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.864 -5.381 6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.936 -6.645 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.888 -7.982 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.970 -6.755 9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.653 -6.531 9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.633 -5.300 9.240 1.00 0.00 H new ATOM 1429 N ALA A 91 11.817 -6.505 2.531 1.00 0.00 N ATOM 1430 CA ALA A 91 13.005 -6.591 1.744 1.00 0.00 C ATOM 1431 C ALA A 91 13.096 -5.509 0.681 1.00 0.00 C ATOM 1432 O ALA A 91 14.100 -4.805 0.574 1.00 0.00 O ATOM 1433 CB ALA A 91 13.134 -7.986 1.156 1.00 0.00 C ATOM 0 H ALA A 91 11.112 -7.204 2.299 1.00 0.00 H new ATOM 0 HA ALA A 91 13.853 -6.411 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.042 -8.046 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.183 -8.718 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.269 -8.197 0.527 1.00 0.00 H new ATOM 1439 N GLU A 92 12.048 -5.348 -0.047 1.00 0.00 N ATOM 1440 CA GLU A 92 12.051 -4.473 -1.193 1.00 0.00 C ATOM 1441 C GLU A 92 11.683 -3.010 -0.884 1.00 0.00 C ATOM 1442 O GLU A 92 12.426 -2.101 -1.245 1.00 0.00 O ATOM 1443 CB GLU A 92 11.158 -5.054 -2.256 1.00 0.00 C ATOM 1444 CG GLU A 92 11.567 -6.455 -2.677 1.00 0.00 C ATOM 1445 CD GLU A 92 11.119 -6.858 -4.051 1.00 0.00 C ATOM 1446 OE1 GLU A 92 10.038 -7.437 -4.190 1.00 0.00 O ATOM 1447 OE2 GLU A 92 11.901 -6.666 -5.014 1.00 0.00 O ATOM 0 H GLU A 92 11.157 -5.814 0.125 1.00 0.00 H new ATOM 0 HA GLU A 92 13.080 -4.420 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.132 -5.076 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.169 -4.401 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.653 -6.531 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.165 -7.167 -1.956 1.00 0.00 H new ATOM 1454 N MET A 93 10.577 -2.779 -0.186 1.00 0.00 N ATOM 1455 CA MET A 93 10.110 -1.400 0.053 1.00 0.00 C ATOM 1456 C MET A 93 10.760 -0.733 1.240 1.00 0.00 C ATOM 1457 O MET A 93 10.589 0.465 1.461 1.00 0.00 O ATOM 1458 CB MET A 93 8.568 -1.263 0.088 1.00 0.00 C ATOM 1459 CG MET A 93 7.915 -1.340 -1.271 1.00 0.00 C ATOM 1460 SD MET A 93 8.460 -0.046 -2.418 1.00 0.00 S ATOM 1461 CE MET A 93 8.004 1.450 -1.533 1.00 0.00 C ATOM 0 H MET A 93 9.990 -3.507 0.221 1.00 0.00 H new ATOM 0 HA MET A 93 10.447 -0.851 -0.826 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.158 -2.049 0.722 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.308 -0.311 0.551 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.126 -2.315 -1.711 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.834 -1.273 -1.149 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.892 2.272 -2.241 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.061 1.290 -1.011 1.00 0.00 H new ATOM 0 HE3 MET A 93 8.782 1.697 -0.810 1.00 0.00 H new ATOM 1471 N MET A 94 11.507 -1.471 1.999 1.00 0.00 N ATOM 1472 CA MET A 94 12.206 -0.880 3.105 1.00 0.00 C ATOM 1473 C MET A 94 13.585 -0.438 2.718 1.00 0.00 C ATOM 1474 O MET A 94 14.555 -1.192 2.817 1.00 0.00 O ATOM 1475 CB MET A 94 12.218 -1.764 4.334 1.00 0.00 C ATOM 1476 CG MET A 94 10.899 -1.786 5.056 1.00 0.00 C ATOM 1477 SD MET A 94 10.515 -0.171 5.772 1.00 0.00 S ATOM 1478 CE MET A 94 9.035 -0.534 6.712 1.00 0.00 C ATOM 0 H MET A 94 11.650 -2.474 1.879 1.00 0.00 H new ATOM 0 HA MET A 94 11.644 0.012 3.381 1.00 0.00 H new ATOM 0 HB2 MET A 94 12.482 -2.780 4.041 1.00 0.00 H new ATOM 0 HB3 MET A 94 12.994 -1.417 5.017 1.00 0.00 H new ATOM 0 HG2 MET A 94 10.108 -2.077 4.364 1.00 0.00 H new ATOM 0 HG3 MET A 94 10.926 -2.538 5.844 1.00 0.00 H new ATOM 0 HE1 MET A 94 8.838 0.281 7.409 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.190 -0.643 6.032 1.00 0.00 H new ATOM 0 HE3 MET A 94 9.175 -1.461 7.268 1.00 0.00 H new ATOM 1488 N GLU A 95 13.662 0.779 2.230 1.00 0.00 N ATOM 1489 CA GLU A 95 14.926 1.381 1.826 1.00 0.00 C ATOM 1490 C GLU A 95 15.446 2.277 2.947 1.00 0.00 C ATOM 1491 O GLU A 95 16.433 3.008 2.795 1.00 0.00 O ATOM 1492 CB GLU A 95 14.754 2.157 0.517 1.00 0.00 C ATOM 1493 CG GLU A 95 14.181 1.315 -0.614 1.00 0.00 C ATOM 1494 CD GLU A 95 14.077 2.065 -1.922 1.00 0.00 C ATOM 1495 OE1 GLU A 95 13.107 2.804 -2.134 1.00 0.00 O ATOM 1496 OE2 GLU A 95 14.970 1.913 -2.783 1.00 0.00 O ATOM 0 H GLU A 95 12.853 1.386 2.099 1.00 0.00 H new ATOM 0 HA GLU A 95 15.662 0.597 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.099 3.010 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 95 15.721 2.555 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.808 0.435 -0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.192 0.959 -0.327 1.00 0.00 H new ATOM 1503 N ASP A 96 14.794 2.129 4.080 1.00 0.00 N ATOM 1504 CA ASP A 96 15.055 2.859 5.334 1.00 0.00 C ATOM 1505 C ASP A 96 14.933 4.398 5.136 1.00 0.00 C ATOM 1506 O ASP A 96 14.430 4.861 4.104 1.00 0.00 O ATOM 1507 CB ASP A 96 16.417 2.435 5.908 1.00 0.00 C ATOM 1508 CG ASP A 96 16.599 2.781 7.383 1.00 0.00 C ATOM 1509 OD1 ASP A 96 16.178 1.987 8.241 1.00 0.00 O ATOM 1510 OD2 ASP A 96 17.149 3.857 7.701 1.00 0.00 O ATOM 0 H ASP A 96 14.025 1.465 4.172 1.00 0.00 H new ATOM 0 HA ASP A 96 14.292 2.595 6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.536 1.359 5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 96 17.209 2.914 5.332 1.00 0.00 H new ATOM 1515 N GLY A 97 15.361 5.160 6.106 1.00 0.00 N ATOM 1516 CA GLY A 97 15.235 6.592 6.062 1.00 0.00 C ATOM 1517 C GLY A 97 14.893 7.120 7.429 1.00 0.00 C ATOM 1518 O GLY A 97 13.898 7.820 7.610 1.00 0.00 O ATOM 0 H GLY A 97 15.808 4.805 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.167 7.037 5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.461 6.876 5.349 1.00 0.00 H new ATOM 1522 N GLN A 98 15.697 6.746 8.397 1.00 0.00 N ATOM 1523 CA GLN A 98 15.484 7.140 9.774 1.00 0.00 C ATOM 1524 C GLN A 98 16.176 8.452 10.029 1.00 0.00 C ATOM 1525 O GLN A 98 15.552 9.457 10.383 1.00 0.00 O ATOM 1526 CB GLN A 98 16.073 6.099 10.727 1.00 0.00 C ATOM 1527 CG GLN A 98 15.600 4.689 10.489 1.00 0.00 C ATOM 1528 CD GLN A 98 16.272 3.696 11.404 1.00 0.00 C ATOM 1529 OE1 GLN A 98 16.628 4.014 12.537 1.00 0.00 O ATOM 1530 NE2 GLN A 98 16.505 2.522 10.911 1.00 0.00 N ATOM 0 H GLN A 98 16.519 6.159 8.254 1.00 0.00 H new ATOM 0 HA GLN A 98 14.411 7.228 9.945 1.00 0.00 H new ATOM 0 HB2 GLN A 98 17.159 6.122 10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.827 6.383 11.750 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.521 4.641 10.635 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.794 4.413 9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.194 2.295 9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.999 1.824 11.467 1.00 0.00 H new TER 1539 GLN A 98