USER MOD reduce.3.24.130724 H: found=0, std=0, add=1055, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1055 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 96 THR OG1 : rot 147:sc= 0.815 USER MOD Set 1.2: A 98 ASN : amide:sc= 0.9 K(o=1.7,f=0.75) USER MOD Set 2.1: A 78 LYS NZ :NH3+ 175:sc= 0.507 (180deg=0.477) USER MOD Set 2.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 63 SER OG : rot 180:sc= 0.924 USER MOD Set 3.2: A 105 SER OG : rot 83:sc= 1.08 USER MOD Set 4.1: A 22 GLN :FLIP amide:sc= -0.125 F(o=-2.1,f=-0.39) USER MOD Set 4.2: A 62 ASN :FLIP amide:sc= -0.261 F(o=-3.2,f=-0.39) USER MOD Set 5.1: A 19 HIS : no HD1:sc= 1.12 K(o=2.4,f=-5.8!) USER MOD Set 5.2: A 21 SER OG : rot -39:sc= 1.31 USER MOD Set 6.1: A 16 LYS NZ :NH3+ 159:sc= 2.19 (180deg=1.47) USER MOD Set 6.2: A 45 GLN : amide:sc= 0 K(o=2.2,f=-2) USER MOD Single : A 1 SER N :NH3+ -177:sc= 0 (180deg=-0.0243) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : A 12 SER OG : rot 92:sc= 0.375 USER MOD Single : A 13 HIS : no HE2:sc= -2.11! C(o=-2.1!,f=-7.2!) USER MOD Single : A 24 SER OG : rot 150:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.3!) USER MOD Single : A 26 THR OG1 : rot -139:sc= 1.68 USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= -0.0376 (180deg=-0.279) USER MOD Single : A 40 THR OG1 : rot 26:sc= 0.353 USER MOD Single : A 42 MET CE :methyl -153:sc= -0.915 (180deg=-1.56) USER MOD Single : A 47 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.045) USER MOD Single : A 56 SER OG : rot -95:sc= 1.2 USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0238) USER MOD Single : A 60 LYS NZ :NH3+ -126:sc= 0.117 (180deg=0.0167) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 62:sc= 1.17 USER MOD Single : A 71 THR OG1 : rot 35:sc= 0.225 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0747 F(o=-1.3!,f=-0.075) USER MOD Single : A 81 ASN : amide:sc= -2.47! C(o=-2.5!,f=-11!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.3 K(o=-1.3,f=-7.4!) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0194 USER MOD Single : A 91 LYS NZ :NH3+ -151:sc= -0.188 (180deg=-1.11) USER MOD Single : A 93 THR OG1 : rot 109:sc= 0.141 USER MOD Single : A 100 SER OG : rot 17:sc= -0.311! USER MOD Single : A 108 LYS NZ :NH3+ 172:sc= -0.0164 (180deg=-0.0848) USER MOD Single : A 110 THR OG1 : rot 116:sc= 1.2 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN :FLIP amide:sc= -0.323 F(o=-1.3,f=-0.32) USER MOD Single : A 116 SER OG : rot -84:sc= 1.27 USER MOD Single : A 118 ASN : amide:sc= -0.432 K(o=-0.43,f=-1.7) USER MOD Single : A 123 GLN :FLIP amide:sc= -4.5! C(o=-6.2!,f=-4.5!) USER MOD Single : A 124 LYS NZ :NH3+ 167:sc= 1.73 (180deg=1.47) USER MOD Single : A 127 TYR OH : rot 180:sc= -2.89! USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 THR OG1 : rot -9:sc= 0.909 USER MOD Single : A 132 SER OG : rot 44:sc= 0.379 USER MOD Single : A 133 ASN :FLIP amide:sc= -0.082 F(o=-1.3!,f=-0.082) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HE2:sc= -0.0078 X(o=-0.0078,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.625 -13.205 -11.246 1.00 0.00 N ATOM 2 CA SER A 1 16.724 -14.175 -10.655 1.00 0.00 C ATOM 3 C SER A 1 15.495 -13.472 -10.085 1.00 0.00 C ATOM 4 O SER A 1 14.362 -13.892 -10.354 1.00 0.00 O ATOM 5 CB SER A 1 17.461 -14.950 -9.564 1.00 0.00 C ATOM 6 OG SER A 1 18.684 -15.509 -10.069 1.00 0.00 O ATOM 0 H1 SER A 1 18.433 -13.699 -11.676 1.00 0.00 H new ATOM 0 H2 SER A 1 17.121 -12.664 -11.977 1.00 0.00 H new ATOM 0 H3 SER A 1 17.968 -12.556 -10.509 1.00 0.00 H new ATOM 0 HA SER A 1 16.388 -14.875 -11.420 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.678 -14.288 -8.726 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.822 -15.747 -9.184 1.00 0.00 H new ATOM 0 HG SER A 1 19.140 -15.999 -9.353 1.00 0.00 H new ATOM 14 N ALA A 2 15.738 -12.399 -9.298 1.00 0.00 N ATOM 15 CA ALA A 2 14.700 -11.557 -8.693 1.00 0.00 C ATOM 16 C ALA A 2 13.965 -12.250 -7.552 1.00 0.00 C ATOM 17 O ALA A 2 13.664 -13.445 -7.628 1.00 0.00 O ATOM 18 CB ALA A 2 13.721 -10.994 -9.727 1.00 0.00 C ATOM 0 H ALA A 2 16.683 -12.094 -9.066 1.00 0.00 H new ATOM 0 HA ALA A 2 15.231 -10.710 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.975 -10.379 -9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.265 -10.386 -10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.225 -11.816 -10.244 1.00 0.00 H new ATOM 24 N LYS A 3 13.716 -11.483 -6.479 1.00 0.00 N ATOM 25 CA LYS A 3 12.964 -11.938 -5.301 1.00 0.00 C ATOM 26 C LYS A 3 13.763 -12.902 -4.397 1.00 0.00 C ATOM 27 O LYS A 3 14.494 -13.780 -4.860 1.00 0.00 O ATOM 28 CB LYS A 3 11.583 -12.476 -5.718 1.00 0.00 C ATOM 29 CG LYS A 3 10.761 -13.183 -4.660 1.00 0.00 C ATOM 30 CD LYS A 3 9.522 -13.826 -5.276 1.00 0.00 C ATOM 31 CE LYS A 3 9.881 -15.057 -6.100 1.00 0.00 C ATOM 32 NZ LYS A 3 8.726 -15.570 -6.857 1.00 0.00 N ATOM 0 H LYS A 3 14.036 -10.517 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 3 12.791 -11.070 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.996 -11.639 -6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.727 -13.166 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.367 -13.946 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.462 -12.472 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.826 -14.107 -4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.011 -13.100 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.686 -14.808 -6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.258 -15.838 -5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.013 -16.407 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.967 -15.832 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.382 -14.834 -7.506 1.00 0.00 H new ATOM 46 N LEU A 4 13.640 -12.668 -3.114 1.00 0.00 N ATOM 47 CA LEU A 4 14.329 -13.403 -2.073 1.00 0.00 C ATOM 48 C LEU A 4 13.266 -14.135 -1.231 1.00 0.00 C ATOM 49 O LEU A 4 12.146 -14.333 -1.707 1.00 0.00 O ATOM 50 CB LEU A 4 15.135 -12.427 -1.169 1.00 0.00 C ATOM 51 CG LEU A 4 16.193 -11.505 -1.832 1.00 0.00 C ATOM 52 CD1 LEU A 4 15.562 -10.344 -2.605 1.00 0.00 C ATOM 53 CD2 LEU A 4 17.158 -10.981 -0.785 1.00 0.00 C ATOM 0 H LEU A 4 13.035 -11.933 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 4 15.027 -14.115 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 4 14.420 -11.790 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 4 15.643 -13.022 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 4 16.736 -12.110 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 4 16.348 -9.732 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.921 -10.738 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.967 -9.734 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 4 17.896 -10.335 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 4 16.608 -10.412 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 4 17.664 -11.819 -0.305 1.00 0.00 H new ATOM 65 N GLU A 5 13.590 -14.524 -0.004 1.00 0.00 N ATOM 66 CA GLU A 5 12.614 -15.213 0.838 1.00 0.00 C ATOM 67 C GLU A 5 11.884 -14.239 1.739 1.00 0.00 C ATOM 68 O GLU A 5 12.469 -13.269 2.227 1.00 0.00 O ATOM 69 CB GLU A 5 13.254 -16.284 1.703 1.00 0.00 C ATOM 70 CG GLU A 5 14.033 -17.320 0.944 1.00 0.00 C ATOM 71 CD GLU A 5 14.351 -18.506 1.796 1.00 0.00 C ATOM 72 OE1 GLU A 5 15.096 -18.367 2.789 1.00 0.00 O ATOM 73 OE2 GLU A 5 13.827 -19.599 1.501 1.00 0.00 O ATOM 0 H GLU A 5 14.503 -14.379 0.426 1.00 0.00 H new ATOM 0 HA GLU A 5 11.909 -15.688 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.918 -15.803 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.473 -16.784 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.461 -17.640 0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.959 -16.880 0.573 1.00 0.00 H new ATOM 80 N CYS A 6 10.634 -14.513 1.975 1.00 0.00 N ATOM 81 CA CYS A 6 9.798 -13.695 2.821 1.00 0.00 C ATOM 82 C CYS A 6 9.428 -14.484 4.070 1.00 0.00 C ATOM 83 O CYS A 6 9.631 -15.707 4.094 1.00 0.00 O ATOM 84 CB CYS A 6 8.535 -13.328 2.055 1.00 0.00 C ATOM 85 SG CYS A 6 8.843 -12.343 0.570 1.00 0.00 S ATOM 0 H CYS A 6 10.154 -15.323 1.581 1.00 0.00 H new ATOM 0 HA CYS A 6 10.329 -12.788 3.110 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.014 -14.243 1.772 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.869 -12.774 2.716 1.00 0.00 H new ATOM 90 N PRO A 7 8.925 -13.820 5.155 1.00 0.00 N ATOM 91 CA PRO A 7 8.433 -14.541 6.332 1.00 0.00 C ATOM 92 C PRO A 7 7.258 -15.467 5.960 1.00 0.00 C ATOM 93 O PRO A 7 6.562 -15.232 4.962 1.00 0.00 O ATOM 94 CB PRO A 7 7.962 -13.432 7.283 1.00 0.00 C ATOM 95 CG PRO A 7 8.642 -12.197 6.818 1.00 0.00 C ATOM 96 CD PRO A 7 8.833 -12.347 5.340 1.00 0.00 C ATOM 0 HA PRO A 7 9.197 -15.180 6.775 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.878 -13.320 7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.227 -13.661 8.315 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.042 -11.315 7.044 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.600 -12.069 7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.999 -11.923 4.781 1.00 0.00 H new ATOM 0 HD3 PRO A 7 9.736 -11.841 4.998 1.00 0.00 H new ATOM 104 N GLN A 8 7.039 -16.472 6.786 1.00 0.00 N ATOM 105 CA GLN A 8 6.054 -17.552 6.574 1.00 0.00 C ATOM 106 C GLN A 8 4.667 -17.107 6.070 1.00 0.00 C ATOM 107 O GLN A 8 4.129 -17.701 5.131 1.00 0.00 O ATOM 108 CB GLN A 8 5.886 -18.373 7.854 1.00 0.00 C ATOM 109 CG GLN A 8 5.558 -17.537 9.090 1.00 0.00 C ATOM 110 CD GLN A 8 5.167 -18.373 10.273 1.00 0.00 C ATOM 111 OE1 GLN A 8 6.016 -18.798 11.064 1.00 0.00 O ATOM 112 NE2 GLN A 8 3.885 -18.586 10.432 1.00 0.00 N ATOM 0 H GLN A 8 7.554 -16.576 7.660 1.00 0.00 H new ATOM 0 HA GLN A 8 6.478 -18.149 5.767 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.093 -19.105 7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.804 -18.931 8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.424 -16.929 9.351 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.746 -16.850 8.853 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.219 -18.216 9.754 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.553 -19.122 11.234 1.00 0.00 H new ATOM 121 N ASP A 9 4.108 -16.068 6.655 1.00 0.00 N ATOM 122 CA ASP A 9 2.728 -15.684 6.338 1.00 0.00 C ATOM 123 C ASP A 9 2.705 -14.656 5.220 1.00 0.00 C ATOM 124 O ASP A 9 1.635 -14.180 4.814 1.00 0.00 O ATOM 125 CB ASP A 9 2.012 -15.066 7.561 1.00 0.00 C ATOM 126 CG ASP A 9 2.188 -15.814 8.871 1.00 0.00 C ATOM 127 OD1 ASP A 9 1.953 -17.039 8.940 1.00 0.00 O ATOM 128 OD2 ASP A 9 2.586 -15.169 9.860 1.00 0.00 O ATOM 0 H ASP A 9 4.571 -15.475 7.344 1.00 0.00 H new ATOM 0 HA ASP A 9 2.211 -16.595 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.373 -14.046 7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.946 -15.000 7.341 1.00 0.00 H new ATOM 133 N TRP A 10 3.861 -14.326 4.710 1.00 0.00 N ATOM 134 CA TRP A 10 3.983 -13.269 3.739 1.00 0.00 C ATOM 135 C TRP A 10 4.081 -13.804 2.345 1.00 0.00 C ATOM 136 O TRP A 10 4.936 -14.629 2.026 1.00 0.00 O ATOM 137 CB TRP A 10 5.152 -12.346 4.066 1.00 0.00 C ATOM 138 CG TRP A 10 4.988 -11.608 5.361 1.00 0.00 C ATOM 139 CD1 TRP A 10 4.844 -12.148 6.603 1.00 0.00 C ATOM 140 CD2 TRP A 10 4.975 -10.195 5.544 1.00 0.00 C ATOM 141 NE1 TRP A 10 4.720 -11.168 7.533 1.00 0.00 N ATOM 142 CE2 TRP A 10 4.800 -9.957 6.915 1.00 0.00 C ATOM 143 CE3 TRP A 10 5.085 -9.110 4.683 1.00 0.00 C ATOM 144 CZ2 TRP A 10 4.733 -8.675 7.441 1.00 0.00 C ATOM 145 CZ3 TRP A 10 5.022 -7.840 5.207 1.00 0.00 C ATOM 146 CH2 TRP A 10 4.846 -7.635 6.575 1.00 0.00 C ATOM 0 H TRP A 10 4.742 -14.779 4.954 1.00 0.00 H new ATOM 0 HA TRP A 10 3.070 -12.675 3.792 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.069 -12.934 4.106 1.00 0.00 H new ATOM 0 HB3 TRP A 10 5.271 -11.624 3.258 1.00 0.00 H new ATOM 0 HD1 TRP A 10 4.830 -13.206 6.817 1.00 0.00 H new ATOM 0 HE1 TRP A 10 4.588 -11.315 8.534 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.218 -9.261 3.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 4.596 -8.510 8.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 5.110 -6.988 4.549 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.798 -6.625 6.955 1.00 0.00 H new ATOM 157 N LEU A 11 3.225 -13.296 1.535 1.00 0.00 N ATOM 158 CA LEU A 11 3.051 -13.696 0.192 1.00 0.00 C ATOM 159 C LEU A 11 4.063 -12.945 -0.659 1.00 0.00 C ATOM 160 O LEU A 11 4.053 -11.732 -0.706 1.00 0.00 O ATOM 161 CB LEU A 11 1.659 -13.280 -0.160 1.00 0.00 C ATOM 162 CG LEU A 11 0.964 -13.980 -1.282 1.00 0.00 C ATOM 163 CD1 LEU A 11 0.851 -15.466 -0.968 1.00 0.00 C ATOM 164 CD2 LEU A 11 -0.403 -13.363 -1.436 1.00 0.00 C ATOM 0 H LEU A 11 2.591 -12.546 1.811 1.00 0.00 H new ATOM 0 HA LEU A 11 3.195 -14.765 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.044 -13.394 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.682 -12.216 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 11 1.524 -13.874 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.344 -15.974 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.848 -15.888 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.280 -15.601 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.935 -13.855 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.964 -13.486 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.300 -12.301 -1.660 1.00 0.00 H new ATOM 176 N SER A 12 4.906 -13.646 -1.304 1.00 0.00 N ATOM 177 CA SER A 12 5.993 -13.042 -2.019 1.00 0.00 C ATOM 178 C SER A 12 5.613 -12.780 -3.485 1.00 0.00 C ATOM 179 O SER A 12 5.077 -13.666 -4.174 1.00 0.00 O ATOM 180 CB SER A 12 7.219 -13.944 -1.901 1.00 0.00 C ATOM 181 OG SER A 12 8.388 -13.314 -2.380 1.00 0.00 O ATOM 0 H SER A 12 4.876 -14.664 -1.362 1.00 0.00 H new ATOM 0 HA SER A 12 6.226 -12.071 -1.583 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.361 -14.227 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.048 -14.864 -2.461 1.00 0.00 H new ATOM 0 HG SER A 12 8.839 -12.855 -1.641 1.00 0.00 H new ATOM 187 N HIS A 13 5.868 -11.563 -3.948 1.00 0.00 N ATOM 188 CA HIS A 13 5.557 -11.145 -5.311 1.00 0.00 C ATOM 189 C HIS A 13 6.505 -10.027 -5.735 1.00 0.00 C ATOM 190 O HIS A 13 6.679 -9.050 -5.009 1.00 0.00 O ATOM 191 CB HIS A 13 4.095 -10.667 -5.396 1.00 0.00 C ATOM 192 CG HIS A 13 3.637 -10.164 -6.752 1.00 0.00 C ATOM 193 ND1 HIS A 13 3.432 -8.834 -7.024 1.00 0.00 N ATOM 194 CD2 HIS A 13 3.295 -10.822 -7.888 1.00 0.00 C ATOM 195 CE1 HIS A 13 2.990 -8.683 -8.238 1.00 0.00 C ATOM 196 NE2 HIS A 13 2.894 -9.871 -8.796 1.00 0.00 N ATOM 0 H HIS A 13 6.300 -10.831 -3.384 1.00 0.00 H new ATOM 0 HA HIS A 13 5.685 -11.992 -5.984 1.00 0.00 H new ATOM 0 HB2 HIS A 13 3.446 -11.491 -5.098 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.952 -9.869 -4.667 1.00 0.00 H new ATOM 0 HD1 HIS A 13 3.602 -8.072 -6.367 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.331 -11.889 -8.048 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.744 -7.742 -8.708 1.00 0.00 H new ATOM 205 N ARG A 14 7.104 -10.196 -6.905 1.00 0.00 N ATOM 206 CA ARG A 14 8.037 -9.242 -7.534 1.00 0.00 C ATOM 207 C ARG A 14 9.327 -9.064 -6.746 1.00 0.00 C ATOM 208 O ARG A 14 10.353 -9.674 -7.046 1.00 0.00 O ATOM 209 CB ARG A 14 7.414 -7.847 -7.784 1.00 0.00 C ATOM 210 CG ARG A 14 6.249 -7.790 -8.737 1.00 0.00 C ATOM 211 CD ARG A 14 6.602 -8.291 -10.116 1.00 0.00 C ATOM 212 NE ARG A 14 5.512 -8.056 -11.059 1.00 0.00 N ATOM 213 CZ ARG A 14 5.085 -8.921 -11.984 1.00 0.00 C ATOM 214 NH1 ARG A 14 5.592 -10.149 -12.056 1.00 0.00 N ATOM 215 NH2 ARG A 14 4.167 -8.549 -12.848 1.00 0.00 N ATOM 0 H ARG A 14 6.955 -11.030 -7.473 1.00 0.00 H new ATOM 0 HA ARG A 14 8.267 -9.699 -8.497 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.090 -7.442 -6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.195 -7.187 -8.161 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.428 -8.385 -8.337 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.892 -6.762 -8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.504 -7.791 -10.467 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.825 -9.357 -10.072 1.00 0.00 H new ATOM 0 HE ARG A 14 5.036 -7.155 -11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.316 -10.441 -11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.256 -10.798 -12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.784 -7.604 -12.810 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.837 -9.205 -13.556 1.00 0.00 H new ATOM 229 N ASP A 15 9.236 -8.247 -5.739 1.00 0.00 N ATOM 230 CA ASP A 15 10.345 -7.826 -4.925 1.00 0.00 C ATOM 231 C ASP A 15 9.789 -7.364 -3.595 1.00 0.00 C ATOM 232 O ASP A 15 10.397 -6.561 -2.889 1.00 0.00 O ATOM 233 CB ASP A 15 11.094 -6.653 -5.617 1.00 0.00 C ATOM 234 CG ASP A 15 10.273 -5.392 -5.819 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.280 -5.401 -6.599 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.623 -4.351 -5.240 1.00 0.00 O ATOM 0 H ASP A 15 8.349 -7.836 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 15 11.047 -8.647 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.973 -6.404 -5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.452 -6.994 -6.588 1.00 0.00 H new ATOM 241 N LYS A 16 8.632 -7.903 -3.242 1.00 0.00 N ATOM 242 CA LYS A 16 7.952 -7.568 -2.009 1.00 0.00 C ATOM 243 C LYS A 16 7.306 -8.798 -1.411 1.00 0.00 C ATOM 244 O LYS A 16 7.140 -9.828 -2.084 1.00 0.00 O ATOM 245 CB LYS A 16 6.858 -6.473 -2.163 1.00 0.00 C ATOM 246 CG LYS A 16 7.338 -5.053 -2.480 1.00 0.00 C ATOM 247 CD LYS A 16 7.596 -4.804 -3.953 1.00 0.00 C ATOM 248 CE LYS A 16 6.350 -4.897 -4.815 1.00 0.00 C ATOM 249 NZ LYS A 16 6.659 -4.585 -6.232 1.00 0.00 N ATOM 0 H LYS A 16 8.138 -8.591 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 16 8.728 -7.168 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.175 -6.785 -2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.281 -6.438 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.592 -4.341 -2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.254 -4.857 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.037 -3.815 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.330 -5.526 -4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.928 -5.899 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.594 -4.206 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.920 -4.986 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.694 -3.554 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.580 -4.997 -6.485 1.00 0.00 H new ATOM 263 N CYS A 17 6.962 -8.682 -0.165 1.00 0.00 N ATOM 264 CA CYS A 17 6.267 -9.705 0.571 1.00 0.00 C ATOM 265 C CYS A 17 5.008 -9.067 1.116 1.00 0.00 C ATOM 266 O CYS A 17 5.089 -8.002 1.696 1.00 0.00 O ATOM 267 CB CYS A 17 7.133 -10.153 1.733 1.00 0.00 C ATOM 268 SG CYS A 17 8.862 -10.457 1.288 1.00 0.00 S ATOM 0 H CYS A 17 7.161 -7.849 0.389 1.00 0.00 H new ATOM 0 HA CYS A 17 6.039 -10.564 -0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.098 -9.393 2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.712 -11.065 2.157 1.00 0.00 H new ATOM 273 N PHE A 18 3.877 -9.691 0.940 1.00 0.00 N ATOM 274 CA PHE A 18 2.606 -9.111 1.335 1.00 0.00 C ATOM 275 C PHE A 18 1.986 -9.850 2.511 1.00 0.00 C ATOM 276 O PHE A 18 2.001 -11.075 2.566 1.00 0.00 O ATOM 277 CB PHE A 18 1.628 -9.145 0.140 1.00 0.00 C ATOM 278 CG PHE A 18 2.125 -8.428 -1.087 1.00 0.00 C ATOM 279 CD1 PHE A 18 2.761 -7.202 -0.988 1.00 0.00 C ATOM 280 CD2 PHE A 18 1.958 -8.984 -2.342 1.00 0.00 C ATOM 281 CE1 PHE A 18 3.226 -6.554 -2.110 1.00 0.00 C ATOM 282 CE2 PHE A 18 2.417 -8.331 -3.468 1.00 0.00 C ATOM 283 CZ PHE A 18 3.054 -7.118 -3.348 1.00 0.00 C ATOM 0 H PHE A 18 3.801 -10.617 0.519 1.00 0.00 H new ATOM 0 HA PHE A 18 2.793 -8.083 1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.424 -10.184 -0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.681 -8.701 0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.894 -6.748 -0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.463 -9.939 -2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.726 -5.602 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.276 -8.773 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.419 -6.610 -4.228 1.00 0.00 H new ATOM 293 N HIS A 19 1.489 -9.098 3.454 1.00 0.00 N ATOM 294 CA HIS A 19 0.742 -9.638 4.563 1.00 0.00 C ATOM 295 C HIS A 19 -0.619 -8.989 4.536 1.00 0.00 C ATOM 296 O HIS A 19 -0.749 -7.808 4.896 1.00 0.00 O ATOM 297 CB HIS A 19 1.403 -9.339 5.937 1.00 0.00 C ATOM 298 CG HIS A 19 0.790 -10.091 7.096 1.00 0.00 C ATOM 299 ND1 HIS A 19 -0.160 -9.559 7.953 1.00 0.00 N ATOM 300 CD2 HIS A 19 1.036 -11.340 7.556 1.00 0.00 C ATOM 301 CE1 HIS A 19 -0.461 -10.451 8.875 1.00 0.00 C ATOM 302 NE2 HIS A 19 0.249 -11.534 8.655 1.00 0.00 N ATOM 0 H HIS A 19 1.590 -8.083 3.477 1.00 0.00 H new ATOM 0 HA HIS A 19 0.697 -10.722 4.457 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.463 -9.585 5.879 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.335 -8.269 6.135 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.728 -12.053 7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.172 -10.315 9.677 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.217 -12.385 9.216 1.00 0.00 H new ATOM 311 N VAL A 20 -1.601 -9.698 4.056 1.00 0.00 N ATOM 312 CA VAL A 20 -2.957 -9.198 4.061 1.00 0.00 C ATOM 313 C VAL A 20 -3.530 -9.429 5.442 1.00 0.00 C ATOM 314 O VAL A 20 -3.956 -10.540 5.785 1.00 0.00 O ATOM 315 CB VAL A 20 -3.853 -9.885 2.994 1.00 0.00 C ATOM 316 CG1 VAL A 20 -5.284 -9.351 3.066 1.00 0.00 C ATOM 317 CG2 VAL A 20 -3.283 -9.664 1.600 1.00 0.00 C ATOM 0 H VAL A 20 -1.493 -10.629 3.653 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.938 -8.137 3.810 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.871 -10.955 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.895 -9.845 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.698 -9.551 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.281 -8.276 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.922 -10.152 0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.238 -8.595 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.280 -10.087 1.546 1.00 0.00 H new ATOM 327 N SER A 21 -3.445 -8.427 6.252 1.00 0.00 N ATOM 328 CA SER A 21 -3.914 -8.500 7.584 1.00 0.00 C ATOM 329 C SER A 21 -5.435 -8.366 7.583 1.00 0.00 C ATOM 330 O SER A 21 -5.952 -7.304 7.317 1.00 0.00 O ATOM 331 CB SER A 21 -3.266 -7.380 8.385 1.00 0.00 C ATOM 332 OG SER A 21 -1.845 -7.343 8.160 1.00 0.00 O ATOM 0 H SER A 21 -3.042 -7.525 5.998 1.00 0.00 H new ATOM 0 HA SER A 21 -3.653 -9.456 8.039 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.708 -6.424 8.104 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.466 -7.524 9.447 1.00 0.00 H new ATOM 0 HG SER A 21 -1.497 -8.258 8.114 1.00 0.00 H new ATOM 338 N GLN A 22 -6.127 -9.463 7.852 1.00 0.00 N ATOM 339 CA GLN A 22 -7.600 -9.522 7.882 1.00 0.00 C ATOM 340 C GLN A 22 -8.178 -9.064 9.212 1.00 0.00 C ATOM 341 O GLN A 22 -9.363 -9.248 9.492 1.00 0.00 O ATOM 342 CB GLN A 22 -8.104 -10.917 7.474 1.00 0.00 C ATOM 343 CG GLN A 22 -8.051 -11.149 5.964 1.00 0.00 C ATOM 344 CD GLN A 22 -9.253 -10.557 5.204 1.00 0.00 C ATOM 345 OE1 GLN A 22 -9.947 -9.601 5.789 1.00 0.00 O flip ATOM 346 NE2 GLN A 22 -9.606 -11.022 4.121 1.00 0.00 N flip ATOM 0 H GLN A 22 -5.683 -10.358 8.060 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.966 -8.811 7.142 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.503 -11.676 7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.130 -11.043 7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.133 -10.713 5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.003 -12.221 5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.059 -11.761 3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.446 -10.668 3.663 1.00 0.00 H new ATOM 355 N VAL A 23 -7.353 -8.426 9.979 1.00 0.00 N ATOM 356 CA VAL A 23 -7.721 -7.883 11.270 1.00 0.00 C ATOM 357 C VAL A 23 -7.832 -6.391 11.110 1.00 0.00 C ATOM 358 O VAL A 23 -7.266 -5.851 10.174 1.00 0.00 O ATOM 359 CB VAL A 23 -6.712 -8.258 12.393 1.00 0.00 C ATOM 360 CG1 VAL A 23 -6.858 -9.717 12.748 1.00 0.00 C ATOM 361 CG2 VAL A 23 -5.280 -7.985 11.956 1.00 0.00 C ATOM 0 H VAL A 23 -6.378 -8.258 9.729 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.671 -8.313 11.586 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.932 -7.642 13.265 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.148 -9.973 13.535 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.873 -9.906 13.099 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.659 -10.327 11.867 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.596 -8.256 12.760 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.051 -8.577 11.070 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.166 -6.926 11.724 1.00 0.00 H new ATOM 371 N SER A 24 -8.534 -5.721 11.975 1.00 0.00 N ATOM 372 CA SER A 24 -8.794 -4.318 11.730 1.00 0.00 C ATOM 373 C SER A 24 -8.083 -3.364 12.699 1.00 0.00 C ATOM 374 O SER A 24 -7.862 -3.685 13.868 1.00 0.00 O ATOM 375 CB SER A 24 -10.288 -4.076 11.691 1.00 0.00 C ATOM 376 OG SER A 24 -10.910 -4.971 10.764 1.00 0.00 O ATOM 0 H SER A 24 -8.930 -6.101 12.835 1.00 0.00 H new ATOM 0 HA SER A 24 -8.362 -4.083 10.757 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.713 -4.217 12.685 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.489 -3.044 11.402 1.00 0.00 H new ATOM 0 HG SER A 24 -11.824 -5.166 11.060 1.00 0.00 H new ATOM 382 N ASN A 25 -7.752 -2.202 12.171 1.00 0.00 N ATOM 383 CA ASN A 25 -7.055 -1.100 12.823 1.00 0.00 C ATOM 384 C ASN A 25 -7.370 0.167 12.055 1.00 0.00 C ATOM 385 O ASN A 25 -8.147 0.133 11.093 1.00 0.00 O ATOM 386 CB ASN A 25 -5.531 -1.272 12.744 1.00 0.00 C ATOM 387 CG ASN A 25 -4.903 -2.073 13.862 1.00 0.00 C ATOM 388 OD1 ASN A 25 -5.454 -2.201 14.949 1.00 0.00 O ATOM 389 ND2 ASN A 25 -3.701 -2.520 13.636 1.00 0.00 N ATOM 0 H ASN A 25 -7.979 -1.983 11.201 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.372 -1.067 13.865 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.287 -1.752 11.796 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.073 -0.283 12.728 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.186 -2.995 14.377 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.275 -2.395 12.718 1.00 0.00 H new ATOM 396 N THR A 26 -6.770 1.269 12.459 1.00 0.00 N ATOM 397 CA THR A 26 -6.859 2.489 11.698 1.00 0.00 C ATOM 398 C THR A 26 -5.768 2.418 10.630 1.00 0.00 C ATOM 399 O THR A 26 -4.961 1.453 10.624 1.00 0.00 O ATOM 400 CB THR A 26 -6.582 3.728 12.583 1.00 0.00 C ATOM 401 OG1 THR A 26 -5.255 3.627 13.122 1.00 0.00 O ATOM 402 CG2 THR A 26 -7.598 3.847 13.713 1.00 0.00 C ATOM 0 H THR A 26 -6.216 1.340 13.312 1.00 0.00 H new ATOM 0 HA THR A 26 -7.860 2.586 11.277 1.00 0.00 H new ATOM 0 HB THR A 26 -6.671 4.623 11.968 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.261 3.910 14.060 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.372 4.728 14.314 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.600 3.941 13.293 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.549 2.957 14.341 1.00 0.00 H new ATOM 410 N TRP A 27 -5.705 3.407 9.765 1.00 0.00 N ATOM 411 CA TRP A 27 -4.678 3.448 8.748 1.00 0.00 C ATOM 412 C TRP A 27 -3.301 3.550 9.411 1.00 0.00 C ATOM 413 O TRP A 27 -2.385 2.793 9.093 1.00 0.00 O ATOM 414 CB TRP A 27 -4.913 4.635 7.790 1.00 0.00 C ATOM 415 CG TRP A 27 -3.869 4.770 6.716 1.00 0.00 C ATOM 416 CD1 TRP A 27 -3.876 4.194 5.489 1.00 0.00 C ATOM 417 CD2 TRP A 27 -2.663 5.531 6.794 1.00 0.00 C ATOM 418 NE1 TRP A 27 -2.743 4.540 4.804 1.00 0.00 N ATOM 419 CE2 TRP A 27 -1.979 5.364 5.586 1.00 0.00 C ATOM 420 CE3 TRP A 27 -2.105 6.327 7.779 1.00 0.00 C ATOM 421 CZ2 TRP A 27 -0.751 5.975 5.339 1.00 0.00 C ATOM 422 CZ3 TRP A 27 -0.903 6.931 7.556 1.00 0.00 C ATOM 423 CH2 TRP A 27 -0.225 6.757 6.340 1.00 0.00 C ATOM 0 H TRP A 27 -6.354 4.194 9.746 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.719 2.530 8.162 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.890 4.522 7.320 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -4.943 5.557 8.371 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.660 3.556 5.108 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.505 4.233 3.861 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.618 6.469 8.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -0.234 5.840 4.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.467 7.551 8.325 1.00 0.00 H new ATOM 0 HH2 TRP A 27 0.726 7.246 6.188 1.00 0.00 H new ATOM 434 N GLU A 28 -3.192 4.457 10.376 1.00 0.00 N ATOM 435 CA GLU A 28 -1.934 4.714 11.053 1.00 0.00 C ATOM 436 C GLU A 28 -1.496 3.534 11.905 1.00 0.00 C ATOM 437 O GLU A 28 -0.312 3.212 11.964 1.00 0.00 O ATOM 438 CB GLU A 28 -2.014 5.984 11.874 1.00 0.00 C ATOM 439 CG GLU A 28 -2.293 7.226 11.065 1.00 0.00 C ATOM 440 CD GLU A 28 -2.321 8.451 11.906 1.00 0.00 C ATOM 441 OE1 GLU A 28 -1.243 9.018 12.179 1.00 0.00 O ATOM 442 OE2 GLU A 28 -3.411 8.868 12.330 1.00 0.00 O ATOM 0 H GLU A 28 -3.969 5.029 10.706 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.172 4.852 10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.796 5.870 12.625 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.074 6.117 12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.530 7.334 10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.249 7.117 10.554 1.00 0.00 H new ATOM 449 N GLU A 29 -2.443 2.876 12.550 1.00 0.00 N ATOM 450 CA GLU A 29 -2.119 1.696 13.327 1.00 0.00 C ATOM 451 C GLU A 29 -1.600 0.580 12.447 1.00 0.00 C ATOM 452 O GLU A 29 -0.570 -0.005 12.752 1.00 0.00 O ATOM 453 CB GLU A 29 -3.276 1.227 14.192 1.00 0.00 C ATOM 454 CG GLU A 29 -3.297 1.822 15.592 1.00 0.00 C ATOM 455 CD GLU A 29 -3.304 3.339 15.632 1.00 0.00 C ATOM 456 OE1 GLU A 29 -4.397 3.935 15.584 1.00 0.00 O ATOM 457 OE2 GLU A 29 -2.211 3.958 15.736 1.00 0.00 O ATOM 0 H GLU A 29 -3.430 3.135 12.551 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.320 1.985 14.009 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.212 1.475 13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.236 0.141 14.273 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.179 1.453 16.116 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.426 1.461 16.139 1.00 0.00 H new ATOM 464 N GLY A 30 -2.279 0.329 11.328 1.00 0.00 N ATOM 465 CA GLY A 30 -1.815 -0.695 10.406 1.00 0.00 C ATOM 466 C GLY A 30 -0.456 -0.353 9.832 1.00 0.00 C ATOM 467 O GLY A 30 0.384 -1.230 9.651 1.00 0.00 O ATOM 0 H GLY A 30 -3.133 0.811 11.046 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.762 -1.653 10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.535 -0.809 9.596 1.00 0.00 H new ATOM 471 N LEU A 31 -0.238 0.935 9.604 1.00 0.00 N ATOM 472 CA LEU A 31 1.037 1.473 9.133 1.00 0.00 C ATOM 473 C LEU A 31 2.155 1.034 10.100 1.00 0.00 C ATOM 474 O LEU A 31 3.163 0.424 9.686 1.00 0.00 O ATOM 475 CB LEU A 31 0.899 3.037 9.068 1.00 0.00 C ATOM 476 CG LEU A 31 2.083 3.919 8.578 1.00 0.00 C ATOM 477 CD1 LEU A 31 3.221 3.999 9.580 1.00 0.00 C ATOM 478 CD2 LEU A 31 2.589 3.449 7.245 1.00 0.00 C ATOM 0 H LEU A 31 -0.952 1.650 9.743 1.00 0.00 H new ATOM 0 HA LEU A 31 1.294 1.099 8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.047 3.257 8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.638 3.378 10.070 1.00 0.00 H new ATOM 0 HG LEU A 31 1.686 4.929 8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.015 4.628 9.179 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.855 4.427 10.513 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.611 2.999 9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.416 4.083 6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.933 2.418 7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.785 3.504 6.511 1.00 0.00 H new ATOM 490 N VAL A 32 1.937 1.293 11.377 1.00 0.00 N ATOM 491 CA VAL A 32 2.897 0.970 12.426 1.00 0.00 C ATOM 492 C VAL A 32 3.029 -0.549 12.601 1.00 0.00 C ATOM 493 O VAL A 32 4.114 -1.063 12.911 1.00 0.00 O ATOM 494 CB VAL A 32 2.498 1.644 13.764 1.00 0.00 C ATOM 495 CG1 VAL A 32 3.469 1.303 14.881 1.00 0.00 C ATOM 496 CG2 VAL A 32 2.427 3.145 13.583 1.00 0.00 C ATOM 0 H VAL A 32 1.085 1.736 11.721 1.00 0.00 H new ATOM 0 HA VAL A 32 3.869 1.361 12.124 1.00 0.00 H new ATOM 0 HB VAL A 32 1.518 1.261 14.049 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.153 1.795 15.801 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.484 0.224 15.034 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.468 1.645 14.611 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.146 3.612 14.527 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.401 3.520 13.268 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.683 3.385 12.824 1.00 0.00 H new ATOM 506 N ASP A 33 1.941 -1.259 12.375 1.00 0.00 N ATOM 507 CA ASP A 33 1.934 -2.716 12.444 1.00 0.00 C ATOM 508 C ASP A 33 2.865 -3.331 11.422 1.00 0.00 C ATOM 509 O ASP A 33 3.521 -4.346 11.696 1.00 0.00 O ATOM 510 CB ASP A 33 0.524 -3.292 12.326 1.00 0.00 C ATOM 511 CG ASP A 33 -0.163 -3.460 13.664 1.00 0.00 C ATOM 512 OD1 ASP A 33 -0.797 -2.517 14.167 1.00 0.00 O ATOM 513 OD2 ASP A 33 -0.069 -4.560 14.250 1.00 0.00 O ATOM 0 H ASP A 33 1.038 -0.849 12.139 1.00 0.00 H new ATOM 0 HA ASP A 33 2.308 -2.982 13.433 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.078 -2.638 11.695 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.574 -4.259 11.826 1.00 0.00 H new ATOM 518 N CYS A 34 2.942 -2.719 10.253 1.00 0.00 N ATOM 519 CA CYS A 34 3.862 -3.163 9.214 1.00 0.00 C ATOM 520 C CYS A 34 5.292 -2.875 9.638 1.00 0.00 C ATOM 521 O CYS A 34 6.184 -3.724 9.467 1.00 0.00 O ATOM 522 CB CYS A 34 3.558 -2.477 7.890 1.00 0.00 C ATOM 523 SG CYS A 34 1.837 -2.687 7.345 1.00 0.00 S ATOM 0 H CYS A 34 2.377 -1.910 9.997 1.00 0.00 H new ATOM 0 HA CYS A 34 3.737 -4.237 9.075 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.774 -1.413 7.983 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.225 -2.872 7.123 1.00 0.00 H new ATOM 528 N ASP A 35 5.501 -1.699 10.254 1.00 0.00 N ATOM 529 CA ASP A 35 6.833 -1.291 10.755 1.00 0.00 C ATOM 530 C ASP A 35 7.314 -2.289 11.793 1.00 0.00 C ATOM 531 O ASP A 35 8.522 -2.524 11.952 1.00 0.00 O ATOM 532 CB ASP A 35 6.816 0.103 11.419 1.00 0.00 C ATOM 533 CG ASP A 35 6.491 1.260 10.505 1.00 0.00 C ATOM 534 OD1 ASP A 35 6.977 1.296 9.361 1.00 0.00 O ATOM 535 OD2 ASP A 35 5.797 2.188 10.945 1.00 0.00 O ATOM 0 H ASP A 35 4.766 -1.011 10.419 1.00 0.00 H new ATOM 0 HA ASP A 35 7.496 -1.257 9.890 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.088 0.090 12.231 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.792 0.283 11.869 1.00 0.00 H new ATOM 540 N GLY A 36 6.348 -2.889 12.479 1.00 0.00 N ATOM 541 CA GLY A 36 6.598 -3.875 13.504 1.00 0.00 C ATOM 542 C GLY A 36 7.321 -5.096 12.992 1.00 0.00 C ATOM 543 O GLY A 36 8.080 -5.715 13.730 1.00 0.00 O ATOM 0 H GLY A 36 5.357 -2.696 12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.187 -3.420 14.301 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.649 -4.181 13.944 1.00 0.00 H new ATOM 547 N LYS A 37 7.109 -5.442 11.731 1.00 0.00 N ATOM 548 CA LYS A 37 7.803 -6.590 11.145 1.00 0.00 C ATOM 549 C LYS A 37 9.022 -6.151 10.380 1.00 0.00 C ATOM 550 O LYS A 37 9.709 -6.971 9.788 1.00 0.00 O ATOM 551 CB LYS A 37 6.928 -7.417 10.176 1.00 0.00 C ATOM 552 CG LYS A 37 5.833 -8.266 10.793 1.00 0.00 C ATOM 553 CD LYS A 37 4.611 -7.463 11.163 1.00 0.00 C ATOM 554 CE LYS A 37 3.550 -8.362 11.761 1.00 0.00 C ATOM 555 NZ LYS A 37 3.996 -8.954 13.047 1.00 0.00 N ATOM 0 H LYS A 37 6.473 -4.956 11.098 1.00 0.00 H new ATOM 0 HA LYS A 37 8.069 -7.216 11.996 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.466 -6.730 9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.584 -8.073 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.548 -9.050 10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.221 -8.760 11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.882 -6.685 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.216 -6.962 10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.636 -7.790 11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.309 -9.159 11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.174 -9.334 13.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.673 -9.721 12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.454 -8.222 13.626 1.00 0.00 H new ATOM 569 N GLY A 38 9.294 -4.873 10.382 1.00 0.00 N ATOM 570 CA GLY A 38 10.350 -4.384 9.541 1.00 0.00 C ATOM 571 C GLY A 38 9.886 -4.440 8.108 1.00 0.00 C ATOM 572 O GLY A 38 10.481 -5.105 7.254 1.00 0.00 O ATOM 0 H GLY A 38 8.813 -4.169 10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.610 -3.362 9.815 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.248 -4.987 9.672 1.00 0.00 H new ATOM 576 N ALA A 39 8.753 -3.843 7.886 1.00 0.00 N ATOM 577 CA ALA A 39 8.125 -3.789 6.609 1.00 0.00 C ATOM 578 C ALA A 39 7.389 -2.479 6.509 1.00 0.00 C ATOM 579 O ALA A 39 7.380 -1.709 7.460 1.00 0.00 O ATOM 580 CB ALA A 39 7.182 -4.963 6.436 1.00 0.00 C ATOM 0 H ALA A 39 8.226 -3.365 8.617 1.00 0.00 H new ATOM 0 HA ALA A 39 8.868 -3.853 5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.709 -4.908 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.742 -5.895 6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.416 -4.931 7.211 1.00 0.00 H new ATOM 586 N THR A 40 6.801 -2.228 5.396 1.00 0.00 N ATOM 587 CA THR A 40 6.123 -0.991 5.134 1.00 0.00 C ATOM 588 C THR A 40 4.648 -1.249 4.807 1.00 0.00 C ATOM 589 O THR A 40 4.287 -2.366 4.490 1.00 0.00 O ATOM 590 CB THR A 40 6.819 -0.302 3.949 1.00 0.00 C ATOM 591 OG1 THR A 40 7.073 -1.282 2.913 1.00 0.00 O ATOM 592 CG2 THR A 40 8.131 0.331 4.387 1.00 0.00 C ATOM 0 H THR A 40 6.772 -2.886 4.617 1.00 0.00 H new ATOM 0 HA THR A 40 6.164 -0.351 6.015 1.00 0.00 H new ATOM 0 HB THR A 40 6.169 0.485 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.425 -2.013 2.988 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.606 0.813 3.532 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.936 1.074 5.160 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.792 -0.440 4.783 1.00 0.00 H new ATOM 600 N LEU A 41 3.804 -0.260 4.941 1.00 0.00 N ATOM 601 CA LEU A 41 2.407 -0.396 4.539 1.00 0.00 C ATOM 602 C LEU A 41 2.366 -0.365 2.995 1.00 0.00 C ATOM 603 O LEU A 41 2.965 0.517 2.400 1.00 0.00 O ATOM 604 CB LEU A 41 1.575 0.743 5.162 1.00 0.00 C ATOM 605 CG LEU A 41 0.041 0.656 5.052 1.00 0.00 C ATOM 606 CD1 LEU A 41 -0.501 -0.561 5.784 1.00 0.00 C ATOM 607 CD2 LEU A 41 -0.595 1.910 5.612 1.00 0.00 C ATOM 0 H LEU A 41 4.048 0.653 5.324 1.00 0.00 H new ATOM 0 HA LEU A 41 1.977 -1.334 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.832 0.805 6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.891 1.679 4.701 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.210 0.559 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.586 -0.591 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.072 -1.466 5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.234 -0.500 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.679 1.836 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.318 2.021 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.246 2.777 5.051 1.00 0.00 H new ATOM 619 N MET A 42 1.649 -1.330 2.399 1.00 0.00 N ATOM 620 CA MET A 42 1.615 -1.640 0.926 1.00 0.00 C ATOM 621 C MET A 42 1.864 -0.454 -0.044 1.00 0.00 C ATOM 622 O MET A 42 1.120 0.536 -0.052 1.00 0.00 O ATOM 623 CB MET A 42 0.293 -2.341 0.568 1.00 0.00 C ATOM 624 CG MET A 42 0.134 -2.696 -0.906 1.00 0.00 C ATOM 625 SD MET A 42 1.411 -3.791 -1.486 1.00 0.00 S ATOM 626 CE MET A 42 1.073 -3.776 -3.236 1.00 0.00 C ATOM 0 H MET A 42 1.045 -1.953 2.936 1.00 0.00 H new ATOM 0 HA MET A 42 2.474 -2.293 0.773 1.00 0.00 H new ATOM 0 HB2 MET A 42 0.211 -3.254 1.158 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.535 -1.696 0.863 1.00 0.00 H new ATOM 0 HG2 MET A 42 -0.839 -3.163 -1.061 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.147 -1.782 -1.500 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.415 -4.710 -3.681 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.001 -3.668 -3.399 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.596 -2.940 -3.700 1.00 0.00 H new ATOM 636 N LEU A 43 2.887 -0.623 -0.890 1.00 0.00 N ATOM 637 CA LEU A 43 3.284 0.335 -1.920 1.00 0.00 C ATOM 638 C LEU A 43 3.006 -0.314 -3.280 1.00 0.00 C ATOM 639 O LEU A 43 3.684 -1.254 -3.686 1.00 0.00 O ATOM 640 CB LEU A 43 4.804 0.698 -1.849 1.00 0.00 C ATOM 641 CG LEU A 43 5.348 1.453 -0.604 1.00 0.00 C ATOM 642 CD1 LEU A 43 4.516 2.645 -0.278 1.00 0.00 C ATOM 643 CD2 LEU A 43 5.520 0.569 0.606 1.00 0.00 C ATOM 0 H LEU A 43 3.476 -1.455 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 43 2.720 1.256 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.367 -0.231 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.038 1.301 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 43 6.346 1.794 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.927 3.147 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.517 3.332 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.494 2.329 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.903 1.161 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.558 0.137 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.224 -0.230 0.375 1.00 0.00 H new ATOM 655 N ILE A 44 2.007 0.161 -3.957 1.00 0.00 N ATOM 656 CA ILE A 44 1.581 -0.428 -5.218 1.00 0.00 C ATOM 657 C ILE A 44 2.426 0.102 -6.368 1.00 0.00 C ATOM 658 O ILE A 44 2.433 1.301 -6.642 1.00 0.00 O ATOM 659 CB ILE A 44 0.095 -0.116 -5.476 1.00 0.00 C ATOM 660 CG1 ILE A 44 -0.739 -0.548 -4.261 1.00 0.00 C ATOM 661 CG2 ILE A 44 -0.386 -0.816 -6.744 1.00 0.00 C ATOM 662 CD1 ILE A 44 -2.158 -0.040 -4.271 1.00 0.00 C ATOM 0 H ILE A 44 1.455 0.967 -3.663 1.00 0.00 H new ATOM 0 HA ILE A 44 1.713 -1.508 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.026 0.957 -5.622 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.756 -1.637 -4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.246 -0.198 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.438 -0.584 -6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.201 -0.471 -7.595 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.265 -1.894 -6.633 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.676 -0.391 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.154 1.050 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.671 -0.411 -5.158 1.00 0.00 H new ATOM 674 N GLN A 45 3.129 -0.796 -7.021 1.00 0.00 N ATOM 675 CA GLN A 45 3.999 -0.446 -8.126 1.00 0.00 C ATOM 676 C GLN A 45 3.197 -0.249 -9.423 1.00 0.00 C ATOM 677 O GLN A 45 3.390 0.729 -10.158 1.00 0.00 O ATOM 678 CB GLN A 45 5.030 -1.562 -8.331 1.00 0.00 C ATOM 679 CG GLN A 45 6.089 -1.258 -9.379 1.00 0.00 C ATOM 680 CD GLN A 45 6.975 -2.451 -9.689 1.00 0.00 C ATOM 681 OE1 GLN A 45 7.201 -3.321 -8.847 1.00 0.00 O ATOM 682 NE2 GLN A 45 7.486 -2.498 -10.883 1.00 0.00 N ATOM 0 H GLN A 45 3.115 -1.792 -6.802 1.00 0.00 H new ATOM 0 HA GLN A 45 4.500 0.492 -7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.525 -1.761 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.507 -2.475 -8.616 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.601 -0.927 -10.296 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.709 -0.432 -9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.278 -1.760 -11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.095 -3.272 -11.147 1.00 0.00 H new ATOM 691 N ASP A 46 2.292 -1.167 -9.696 1.00 0.00 N ATOM 692 CA ASP A 46 1.561 -1.149 -10.956 1.00 0.00 C ATOM 693 C ASP A 46 0.216 -1.846 -10.774 1.00 0.00 C ATOM 694 O ASP A 46 -0.082 -2.335 -9.682 1.00 0.00 O ATOM 695 CB ASP A 46 2.403 -1.865 -12.032 1.00 0.00 C ATOM 696 CG ASP A 46 1.863 -1.698 -13.429 1.00 0.00 C ATOM 697 OD1 ASP A 46 2.040 -0.619 -14.012 1.00 0.00 O ATOM 698 OD2 ASP A 46 1.226 -2.634 -13.949 1.00 0.00 O ATOM 0 H ASP A 46 2.043 -1.932 -9.069 1.00 0.00 H new ATOM 0 HA ASP A 46 1.378 -0.122 -11.271 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.423 -1.483 -11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.453 -2.928 -11.795 1.00 0.00 H new ATOM 703 N GLN A 47 -0.580 -1.914 -11.834 1.00 0.00 N ATOM 704 CA GLN A 47 -1.884 -2.546 -11.796 1.00 0.00 C ATOM 705 C GLN A 47 -1.657 -4.045 -11.610 1.00 0.00 C ATOM 706 O GLN A 47 -2.387 -4.711 -10.885 1.00 0.00 O ATOM 707 CB GLN A 47 -2.618 -2.303 -13.125 1.00 0.00 C ATOM 708 CG GLN A 47 -4.155 -2.196 -13.044 1.00 0.00 C ATOM 709 CD GLN A 47 -4.828 -3.273 -12.218 1.00 0.00 C ATOM 710 OE1 GLN A 47 -5.169 -4.346 -12.714 1.00 0.00 O ATOM 711 NE2 GLN A 47 -5.070 -2.971 -10.968 1.00 0.00 N ATOM 0 H GLN A 47 -0.334 -1.529 -12.746 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.486 -2.137 -10.985 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.233 -1.383 -13.566 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.366 -3.114 -13.809 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.415 -1.223 -12.627 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.560 -2.228 -14.055 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.771 -2.070 -10.594 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.558 -3.636 -10.368 1.00 0.00 H new ATOM 720 N GLU A 48 -0.594 -4.543 -12.236 1.00 0.00 N ATOM 721 CA GLU A 48 -0.203 -5.952 -12.143 1.00 0.00 C ATOM 722 C GLU A 48 0.098 -6.355 -10.702 1.00 0.00 C ATOM 723 O GLU A 48 -0.094 -7.507 -10.314 1.00 0.00 O ATOM 724 CB GLU A 48 0.998 -6.218 -13.039 1.00 0.00 C ATOM 725 CG GLU A 48 0.687 -6.036 -14.509 1.00 0.00 C ATOM 726 CD GLU A 48 -0.317 -7.045 -15.005 1.00 0.00 C ATOM 727 OE1 GLU A 48 -1.539 -6.841 -14.843 1.00 0.00 O ATOM 728 OE2 GLU A 48 0.100 -8.072 -15.563 1.00 0.00 O ATOM 0 H GLU A 48 0.023 -3.982 -12.824 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.041 -6.561 -12.483 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.810 -5.547 -12.759 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.352 -7.235 -12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.302 -5.030 -14.676 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.606 -6.126 -15.087 1.00 0.00 H new ATOM 735 N GLU A 49 0.524 -5.389 -9.911 1.00 0.00 N ATOM 736 CA GLU A 49 0.807 -5.619 -8.523 1.00 0.00 C ATOM 737 C GLU A 49 -0.520 -5.907 -7.809 1.00 0.00 C ATOM 738 O GLU A 49 -0.680 -6.949 -7.182 1.00 0.00 O ATOM 739 CB GLU A 49 1.486 -4.392 -7.927 1.00 0.00 C ATOM 740 CG GLU A 49 2.273 -4.637 -6.687 1.00 0.00 C ATOM 741 CD GLU A 49 3.562 -5.372 -6.926 1.00 0.00 C ATOM 742 OE1 GLU A 49 4.405 -4.876 -7.698 1.00 0.00 O ATOM 743 OE2 GLU A 49 3.787 -6.408 -6.316 1.00 0.00 O ATOM 0 H GLU A 49 0.681 -4.429 -10.219 1.00 0.00 H new ATOM 0 HA GLU A 49 1.480 -6.468 -8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.149 -3.963 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.723 -3.644 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.493 -3.681 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.663 -5.208 -5.987 1.00 0.00 H new ATOM 750 N LEU A 50 -1.498 -5.012 -7.998 1.00 0.00 N ATOM 751 CA LEU A 50 -2.827 -5.165 -7.386 1.00 0.00 C ATOM 752 C LEU A 50 -3.595 -6.337 -7.906 1.00 0.00 C ATOM 753 O LEU A 50 -4.475 -6.822 -7.239 1.00 0.00 O ATOM 754 CB LEU A 50 -3.698 -3.926 -7.469 1.00 0.00 C ATOM 755 CG LEU A 50 -3.363 -2.789 -6.534 1.00 0.00 C ATOM 756 CD1 LEU A 50 -4.388 -1.680 -6.707 1.00 0.00 C ATOM 757 CD2 LEU A 50 -3.327 -3.284 -5.084 1.00 0.00 C ATOM 0 H LEU A 50 -1.395 -4.174 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.590 -5.340 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.654 -3.549 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.730 -4.224 -7.284 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.375 -2.397 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.150 -0.856 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.368 -1.324 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.382 -2.063 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.084 -2.453 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.302 -3.690 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.569 -4.061 -4.984 1.00 0.00 H new ATOM 769 N ARG A 51 -3.287 -6.772 -9.091 1.00 0.00 N ATOM 770 CA ARG A 51 -3.914 -7.868 -9.680 1.00 0.00 C ATOM 771 C ARG A 51 -3.602 -9.129 -8.871 1.00 0.00 C ATOM 772 O ARG A 51 -4.472 -9.976 -8.644 1.00 0.00 O ATOM 773 CB ARG A 51 -3.419 -7.910 -11.090 1.00 0.00 C ATOM 774 CG ARG A 51 -3.739 -9.124 -11.815 1.00 0.00 C ATOM 775 CD ARG A 51 -3.307 -8.966 -13.241 1.00 0.00 C ATOM 776 NE ARG A 51 -3.643 -10.109 -14.088 1.00 0.00 N ATOM 777 CZ ARG A 51 -3.286 -10.231 -15.379 1.00 0.00 C ATOM 778 NH1 ARG A 51 -2.493 -9.313 -15.961 1.00 0.00 N ATOM 779 NH2 ARG A 51 -3.714 -11.280 -16.083 1.00 0.00 N ATOM 0 H ARG A 51 -2.567 -6.346 -9.675 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.002 -7.796 -9.689 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.836 -7.061 -11.631 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.336 -7.783 -11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.236 -9.978 -11.361 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.810 -9.322 -11.765 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.771 -8.070 -13.654 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.229 -8.809 -13.269 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.185 -10.866 -13.671 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.156 -8.515 -15.422 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.228 -9.415 -16.941 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.308 -11.982 -15.642 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.448 -11.380 -17.063 1.00 0.00 H new ATOM 793 N PHE A 52 -2.386 -9.190 -8.348 1.00 0.00 N ATOM 794 CA PHE A 52 -1.996 -10.274 -7.479 1.00 0.00 C ATOM 795 C PHE A 52 -2.695 -10.115 -6.130 1.00 0.00 C ATOM 796 O PHE A 52 -3.037 -11.110 -5.477 1.00 0.00 O ATOM 797 CB PHE A 52 -0.475 -10.303 -7.307 1.00 0.00 C ATOM 798 CG PHE A 52 0.019 -11.425 -6.440 1.00 0.00 C ATOM 799 CD1 PHE A 52 0.024 -12.722 -6.915 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.483 -11.180 -5.156 1.00 0.00 C ATOM 801 CE1 PHE A 52 0.478 -13.757 -6.130 1.00 0.00 C ATOM 802 CE2 PHE A 52 0.941 -12.212 -4.364 1.00 0.00 C ATOM 803 CZ PHE A 52 0.936 -13.504 -4.854 1.00 0.00 C ATOM 0 H PHE A 52 -1.656 -8.497 -8.515 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.297 -11.222 -7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.010 -10.384 -8.289 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.150 -9.355 -6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.332 -12.926 -7.914 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.486 -10.170 -4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.476 -14.767 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.302 -12.011 -3.366 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.291 -14.316 -4.237 1.00 0.00 H new ATOM 813 N LEU A 53 -2.937 -8.858 -5.730 1.00 0.00 N ATOM 814 CA LEU A 53 -3.654 -8.586 -4.498 1.00 0.00 C ATOM 815 C LEU A 53 -5.055 -9.106 -4.614 1.00 0.00 C ATOM 816 O LEU A 53 -5.466 -9.906 -3.831 1.00 0.00 O ATOM 817 CB LEU A 53 -3.674 -7.077 -4.096 1.00 0.00 C ATOM 818 CG LEU A 53 -2.453 -6.509 -3.320 1.00 0.00 C ATOM 819 CD1 LEU A 53 -2.243 -7.250 -2.021 1.00 0.00 C ATOM 820 CD2 LEU A 53 -1.173 -6.516 -4.129 1.00 0.00 C ATOM 0 H LEU A 53 -2.645 -8.027 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.115 -9.100 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.792 -6.491 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.563 -6.905 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.694 -5.467 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.382 -6.832 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.131 -7.149 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.064 -8.305 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.361 -6.107 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.931 -7.539 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.305 -5.908 -5.024 1.00 0.00 H new ATOM 832 N LEU A 54 -5.733 -8.712 -5.661 1.00 0.00 N ATOM 833 CA LEU A 54 -7.123 -9.076 -5.893 1.00 0.00 C ATOM 834 C LEU A 54 -7.337 -10.588 -5.866 1.00 0.00 C ATOM 835 O LEU A 54 -8.320 -11.079 -5.265 1.00 0.00 O ATOM 836 CB LEU A 54 -7.617 -8.462 -7.207 1.00 0.00 C ATOM 837 CG LEU A 54 -7.524 -6.934 -7.299 1.00 0.00 C ATOM 838 CD1 LEU A 54 -8.202 -6.413 -8.554 1.00 0.00 C ATOM 839 CD2 LEU A 54 -8.073 -6.262 -6.037 1.00 0.00 C ATOM 0 H LEU A 54 -5.337 -8.121 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.716 -8.668 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.043 -8.893 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.656 -8.755 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.468 -6.672 -7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.118 -5.327 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.721 -6.842 -9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.255 -6.695 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.992 -5.180 -6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.120 -6.537 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.499 -6.591 -5.171 1.00 0.00 H new ATOM 851 N ASP A 55 -6.406 -11.321 -6.454 1.00 0.00 N ATOM 852 CA ASP A 55 -6.475 -12.780 -6.466 1.00 0.00 C ATOM 853 C ASP A 55 -6.229 -13.383 -5.101 1.00 0.00 C ATOM 854 O ASP A 55 -6.863 -14.373 -4.731 1.00 0.00 O ATOM 855 CB ASP A 55 -5.519 -13.400 -7.488 1.00 0.00 C ATOM 856 CG ASP A 55 -6.001 -13.255 -8.906 1.00 0.00 C ATOM 857 OD1 ASP A 55 -7.060 -13.826 -9.250 1.00 0.00 O ATOM 858 OD2 ASP A 55 -5.343 -12.590 -9.711 1.00 0.00 O ATOM 0 H ASP A 55 -5.592 -10.933 -6.930 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.496 -13.019 -6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.540 -12.931 -7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.389 -14.458 -7.261 1.00 0.00 H new ATOM 863 N SER A 56 -5.337 -12.796 -4.343 1.00 0.00 N ATOM 864 CA SER A 56 -5.011 -13.324 -3.041 1.00 0.00 C ATOM 865 C SER A 56 -6.029 -12.881 -1.986 1.00 0.00 C ATOM 866 O SER A 56 -6.339 -13.637 -1.047 1.00 0.00 O ATOM 867 CB SER A 56 -3.581 -12.962 -2.661 1.00 0.00 C ATOM 868 OG SER A 56 -3.328 -11.576 -2.838 1.00 0.00 O ATOM 0 H SER A 56 -4.824 -11.954 -4.604 1.00 0.00 H new ATOM 0 HA SER A 56 -5.070 -14.412 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.400 -13.236 -1.622 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.885 -13.540 -3.269 1.00 0.00 H new ATOM 0 HG SER A 56 -2.925 -11.427 -3.719 1.00 0.00 H new ATOM 874 N ILE A 57 -6.555 -11.661 -2.161 1.00 0.00 N ATOM 875 CA ILE A 57 -7.598 -11.097 -1.314 1.00 0.00 C ATOM 876 C ILE A 57 -8.796 -12.028 -1.296 1.00 0.00 C ATOM 877 O ILE A 57 -9.351 -12.314 -0.224 1.00 0.00 O ATOM 878 CB ILE A 57 -8.051 -9.675 -1.815 1.00 0.00 C ATOM 879 CG1 ILE A 57 -6.945 -8.612 -1.643 1.00 0.00 C ATOM 880 CG2 ILE A 57 -9.347 -9.221 -1.175 1.00 0.00 C ATOM 881 CD1 ILE A 57 -6.415 -8.459 -0.240 1.00 0.00 C ATOM 0 H ILE A 57 -6.258 -11.034 -2.909 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.189 -10.987 -0.310 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.238 -9.782 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.115 -8.865 -2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.334 -7.649 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.614 -8.235 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.139 -9.930 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.221 -9.171 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.643 -7.689 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.228 -8.171 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.990 -9.406 0.094 1.00 0.00 H new ATOM 893 N LYS A 58 -9.178 -12.492 -2.495 1.00 0.00 N ATOM 894 CA LYS A 58 -10.279 -13.440 -2.706 1.00 0.00 C ATOM 895 C LYS A 58 -11.659 -12.854 -2.346 1.00 0.00 C ATOM 896 O LYS A 58 -12.474 -12.579 -3.226 1.00 0.00 O ATOM 897 CB LYS A 58 -10.014 -14.779 -1.956 1.00 0.00 C ATOM 898 CG LYS A 58 -11.152 -15.802 -2.032 1.00 0.00 C ATOM 899 CD LYS A 58 -11.499 -16.185 -3.477 1.00 0.00 C ATOM 900 CE LYS A 58 -10.364 -16.942 -4.179 1.00 0.00 C ATOM 901 NZ LYS A 58 -10.121 -18.285 -3.591 1.00 0.00 N ATOM 0 H LYS A 58 -8.720 -12.212 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.310 -13.647 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.110 -15.233 -2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.815 -14.557 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.869 -16.698 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.037 -15.393 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.397 -16.802 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.732 -15.282 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.605 -17.051 -5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.449 -16.353 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.417 -18.792 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.766 -18.179 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.010 -18.824 -3.578 1.00 0.00 H new ATOM 915 N GLU A 59 -11.862 -12.631 -1.070 1.00 0.00 N ATOM 916 CA GLU A 59 -13.118 -12.200 -0.501 1.00 0.00 C ATOM 917 C GLU A 59 -13.613 -10.870 -1.027 1.00 0.00 C ATOM 918 O GLU A 59 -14.798 -10.713 -1.216 1.00 0.00 O ATOM 919 CB GLU A 59 -13.032 -12.229 1.010 1.00 0.00 C ATOM 920 CG GLU A 59 -12.905 -13.647 1.548 1.00 0.00 C ATOM 921 CD GLU A 59 -14.116 -14.493 1.222 1.00 0.00 C ATOM 922 OE1 GLU A 59 -15.148 -14.353 1.899 1.00 0.00 O ATOM 923 OE2 GLU A 59 -14.070 -15.293 0.255 1.00 0.00 O ATOM 0 H GLU A 59 -11.128 -12.749 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.877 -12.911 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.175 -11.640 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.920 -11.759 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.014 -14.114 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.768 -13.613 2.629 1.00 0.00 H new ATOM 930 N LYS A 60 -12.702 -9.912 -1.246 1.00 0.00 N ATOM 931 CA LYS A 60 -13.018 -8.605 -1.845 1.00 0.00 C ATOM 932 C LYS A 60 -13.802 -7.676 -0.912 1.00 0.00 C ATOM 933 O LYS A 60 -13.355 -6.580 -0.653 1.00 0.00 O ATOM 934 CB LYS A 60 -13.755 -8.723 -3.203 1.00 0.00 C ATOM 935 CG LYS A 60 -13.030 -9.493 -4.300 1.00 0.00 C ATOM 936 CD LYS A 60 -11.632 -8.967 -4.560 1.00 0.00 C ATOM 937 CE LYS A 60 -11.114 -9.451 -5.907 1.00 0.00 C ATOM 938 NZ LYS A 60 -11.149 -10.924 -6.070 1.00 0.00 N ATOM 0 H LYS A 60 -11.716 -10.022 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.042 -8.153 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.719 -9.202 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.960 -7.717 -3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.972 -10.545 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.611 -9.439 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.639 -7.877 -4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.961 -9.298 -3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.707 -8.993 -6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.088 -9.105 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.204 -11.266 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.436 -11.366 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.832 -11.175 -6.813 1.00 0.00 H new ATOM 952 N TYR A 61 -14.927 -8.163 -0.375 1.00 0.00 N ATOM 953 CA TYR A 61 -15.938 -7.392 0.419 1.00 0.00 C ATOM 954 C TYR A 61 -15.434 -6.897 1.781 1.00 0.00 C ATOM 955 O TYR A 61 -16.198 -6.769 2.740 1.00 0.00 O ATOM 956 CB TYR A 61 -17.175 -8.258 0.619 1.00 0.00 C ATOM 957 CG TYR A 61 -17.738 -8.780 -0.666 1.00 0.00 C ATOM 958 CD1 TYR A 61 -18.270 -7.921 -1.603 1.00 0.00 C ATOM 959 CD2 TYR A 61 -17.737 -10.134 -0.937 1.00 0.00 C ATOM 960 CE1 TYR A 61 -18.787 -8.397 -2.787 1.00 0.00 C ATOM 961 CE2 TYR A 61 -18.245 -10.626 -2.112 1.00 0.00 C ATOM 962 CZ TYR A 61 -18.770 -9.755 -3.038 1.00 0.00 C ATOM 963 OH TYR A 61 -19.289 -10.243 -4.220 1.00 0.00 O ATOM 0 H TYR A 61 -15.185 -9.145 -0.476 1.00 0.00 H new ATOM 0 HA TYR A 61 -16.163 -6.495 -0.158 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -16.923 -9.098 1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -17.939 -7.676 1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -18.282 -6.859 -1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -17.328 -10.819 -0.209 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -19.202 -7.714 -3.513 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -18.233 -11.688 -2.308 1.00 0.00 H new ATOM 0 HH TYR A 61 -19.198 -11.219 -4.239 1.00 0.00 H new ATOM 973 N ASN A 62 -14.209 -6.553 1.812 1.00 0.00 N ATOM 974 CA ASN A 62 -13.531 -6.020 2.962 1.00 0.00 C ATOM 975 C ASN A 62 -12.869 -4.731 2.527 1.00 0.00 C ATOM 976 O ASN A 62 -13.076 -4.287 1.395 1.00 0.00 O ATOM 977 CB ASN A 62 -12.445 -6.988 3.466 1.00 0.00 C ATOM 978 CG ASN A 62 -12.962 -8.296 4.036 1.00 0.00 C ATOM 979 OD1 ASN A 62 -12.186 -9.356 3.884 1.00 0.00 O flip ATOM 980 ND2 ASN A 62 -14.038 -8.361 4.604 1.00 0.00 N flip ATOM 0 H ASN A 62 -13.601 -6.633 0.997 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.245 -5.863 3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.768 -7.211 2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.857 -6.483 4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.613 -7.524 4.705 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.364 -9.252 4.979 1.00 0.00 H new ATOM 987 N SER A 63 -12.084 -4.141 3.395 1.00 0.00 N ATOM 988 CA SER A 63 -11.351 -2.941 3.086 1.00 0.00 C ATOM 989 C SER A 63 -9.989 -3.037 3.770 1.00 0.00 C ATOM 990 O SER A 63 -9.923 -3.253 4.989 1.00 0.00 O ATOM 991 CB SER A 63 -12.128 -1.688 3.531 1.00 0.00 C ATOM 992 OG SER A 63 -13.410 -1.616 2.895 1.00 0.00 O ATOM 0 H SER A 63 -11.936 -4.485 4.344 1.00 0.00 H new ATOM 0 HA SER A 63 -11.213 -2.847 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.257 -1.703 4.613 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.550 -0.795 3.291 1.00 0.00 H new ATOM 0 HG SER A 63 -13.881 -0.811 3.198 1.00 0.00 H new ATOM 998 N PHE A 64 -8.922 -2.957 2.988 1.00 0.00 N ATOM 999 CA PHE A 64 -7.562 -3.110 3.504 1.00 0.00 C ATOM 1000 C PHE A 64 -6.745 -1.874 3.147 1.00 0.00 C ATOM 1001 O PHE A 64 -6.561 -1.582 1.966 1.00 0.00 O ATOM 1002 CB PHE A 64 -6.869 -4.332 2.866 1.00 0.00 C ATOM 1003 CG PHE A 64 -7.757 -5.520 2.628 1.00 0.00 C ATOM 1004 CD1 PHE A 64 -8.011 -6.448 3.616 1.00 0.00 C ATOM 1005 CD2 PHE A 64 -8.346 -5.687 1.397 1.00 0.00 C ATOM 1006 CE1 PHE A 64 -8.843 -7.523 3.368 1.00 0.00 C ATOM 1007 CE2 PHE A 64 -9.163 -6.736 1.131 1.00 0.00 C ATOM 1008 CZ PHE A 64 -9.422 -7.672 2.117 1.00 0.00 C ATOM 0 H PHE A 64 -8.970 -2.785 1.984 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.622 -3.243 4.584 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.435 -4.027 1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.044 -4.638 3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.557 -6.334 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.153 -4.962 0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.042 -8.245 4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.610 -6.841 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.070 -8.512 1.914 1.00 0.00 H new ATOM 1018 N TRP A 65 -6.283 -1.161 4.147 1.00 0.00 N ATOM 1019 CA TRP A 65 -5.482 0.044 3.974 1.00 0.00 C ATOM 1020 C TRP A 65 -4.188 -0.257 3.232 1.00 0.00 C ATOM 1021 O TRP A 65 -3.539 -1.295 3.474 1.00 0.00 O ATOM 1022 CB TRP A 65 -5.073 0.639 5.335 1.00 0.00 C ATOM 1023 CG TRP A 65 -6.179 1.005 6.284 1.00 0.00 C ATOM 1024 CD1 TRP A 65 -6.451 0.405 7.480 1.00 0.00 C ATOM 1025 CD2 TRP A 65 -7.136 2.061 6.143 1.00 0.00 C ATOM 1026 NE1 TRP A 65 -7.510 1.017 8.088 1.00 0.00 N ATOM 1027 CE2 TRP A 65 -7.948 2.032 7.292 1.00 0.00 C ATOM 1028 CE3 TRP A 65 -7.387 3.027 5.164 1.00 0.00 C ATOM 1029 CZ2 TRP A 65 -8.981 2.921 7.487 1.00 0.00 C ATOM 1030 CZ3 TRP A 65 -8.422 3.911 5.366 1.00 0.00 C ATOM 1031 CH2 TRP A 65 -9.205 3.848 6.525 1.00 0.00 C ATOM 0 H TRP A 65 -6.452 -1.400 5.124 1.00 0.00 H new ATOM 0 HA TRP A 65 -6.101 0.742 3.411 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.422 -0.078 5.835 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -4.478 1.533 5.148 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.906 -0.434 7.887 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.908 0.757 8.990 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.783 3.078 4.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.592 2.881 8.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -8.633 4.663 4.621 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.009 4.557 6.655 1.00 0.00 H new ATOM 1042 N ILE A 66 -3.820 0.623 2.334 1.00 0.00 N ATOM 1043 CA ILE A 66 -2.516 0.553 1.713 1.00 0.00 C ATOM 1044 C ILE A 66 -1.787 1.845 2.045 1.00 0.00 C ATOM 1045 O ILE A 66 -2.391 2.733 2.661 1.00 0.00 O ATOM 1046 CB ILE A 66 -2.499 0.254 0.160 1.00 0.00 C ATOM 1047 CG1 ILE A 66 -3.235 1.318 -0.696 1.00 0.00 C ATOM 1048 CG2 ILE A 66 -3.053 -1.145 -0.130 1.00 0.00 C ATOM 1049 CD1 ILE A 66 -4.749 1.213 -0.708 1.00 0.00 C ATOM 0 H ILE A 66 -4.403 1.397 2.015 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.009 -0.320 2.124 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.452 0.301 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.960 2.307 -0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.875 1.246 -1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.032 -1.329 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.442 -1.891 0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.080 -1.211 0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.164 2.002 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.043 0.242 -1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.129 1.319 0.308 1.00 0.00 H new ATOM 1061 N GLY A 67 -0.536 1.988 1.648 1.00 0.00 N ATOM 1062 CA GLY A 67 0.253 3.158 2.043 1.00 0.00 C ATOM 1063 C GLY A 67 -0.082 4.422 1.271 1.00 0.00 C ATOM 1064 O GLY A 67 0.808 5.113 0.803 1.00 0.00 O ATOM 0 H GLY A 67 -0.041 1.320 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.100 3.343 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.311 2.932 1.907 1.00 0.00 H new ATOM 1068 N LEU A 68 -1.352 4.720 1.169 1.00 0.00 N ATOM 1069 CA LEU A 68 -1.837 5.867 0.457 1.00 0.00 C ATOM 1070 C LEU A 68 -2.461 6.875 1.371 1.00 0.00 C ATOM 1071 O LEU A 68 -3.496 6.608 2.000 1.00 0.00 O ATOM 1072 CB LEU A 68 -2.846 5.466 -0.610 1.00 0.00 C ATOM 1073 CG LEU A 68 -2.275 4.856 -1.868 1.00 0.00 C ATOM 1074 CD1 LEU A 68 -3.398 4.360 -2.763 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -1.438 5.894 -2.598 1.00 0.00 C ATOM 0 H LEU A 68 -2.092 4.157 1.589 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.969 6.323 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.546 4.755 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.421 6.349 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.643 4.008 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.976 3.922 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.980 3.607 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.045 5.195 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.025 5.455 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.064 6.748 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.624 6.225 -1.953 1.00 0.00 H new ATOM 1087 N ARG A 69 -1.847 8.017 1.433 1.00 0.00 N ATOM 1088 CA ARG A 69 -2.370 9.137 2.154 1.00 0.00 C ATOM 1089 C ARG A 69 -2.418 10.298 1.209 1.00 0.00 C ATOM 1090 O ARG A 69 -1.590 10.399 0.286 1.00 0.00 O ATOM 1091 CB ARG A 69 -1.557 9.468 3.420 1.00 0.00 C ATOM 1092 CG ARG A 69 -0.077 9.730 3.207 1.00 0.00 C ATOM 1093 CD ARG A 69 0.625 9.960 4.540 1.00 0.00 C ATOM 1094 NE ARG A 69 0.061 11.092 5.298 1.00 0.00 N ATOM 1095 CZ ARG A 69 0.183 11.275 6.633 1.00 0.00 C ATOM 1096 NH1 ARG A 69 0.866 10.402 7.378 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -0.383 12.338 7.214 1.00 0.00 N ATOM 0 H ARG A 69 -0.953 8.200 0.976 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.369 8.896 2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.998 10.346 3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.663 8.642 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.377 8.883 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.055 10.601 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.555 9.055 5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.685 10.142 4.360 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.463 11.793 4.774 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.301 9.589 6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.953 10.548 8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.906 13.009 6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.292 12.478 8.220 1.00 0.00 H new ATOM 1111 N TYR A 70 -3.374 11.127 1.378 1.00 0.00 N ATOM 1112 CA TYR A 70 -3.545 12.222 0.504 1.00 0.00 C ATOM 1113 C TYR A 70 -2.890 13.435 1.130 1.00 0.00 C ATOM 1114 O TYR A 70 -3.314 13.920 2.188 1.00 0.00 O ATOM 1115 CB TYR A 70 -5.032 12.416 0.262 1.00 0.00 C ATOM 1116 CG TYR A 70 -5.380 13.417 -0.789 1.00 0.00 C ATOM 1117 CD1 TYR A 70 -4.886 13.310 -2.076 1.00 0.00 C ATOM 1118 CD2 TYR A 70 -6.241 14.439 -0.508 1.00 0.00 C ATOM 1119 CE1 TYR A 70 -5.247 14.212 -3.045 1.00 0.00 C ATOM 1120 CE2 TYR A 70 -6.603 15.345 -1.456 1.00 0.00 C ATOM 1121 CZ TYR A 70 -6.110 15.233 -2.724 1.00 0.00 C ATOM 1122 OH TYR A 70 -6.498 16.136 -3.685 1.00 0.00 O ATOM 0 H TYR A 70 -4.063 11.067 2.128 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.074 12.052 -0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.467 11.456 -0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.500 12.719 1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.208 12.506 -2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.644 14.530 0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.858 14.121 -4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.278 16.150 -1.206 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.974 15.667 -4.402 1.00 0.00 H new ATOM 1132 N THR A 71 -1.848 13.887 0.504 1.00 0.00 N ATOM 1133 CA THR A 71 -1.044 14.964 0.999 1.00 0.00 C ATOM 1134 C THR A 71 -1.278 16.231 0.182 1.00 0.00 C ATOM 1135 O THR A 71 -1.192 16.205 -1.058 1.00 0.00 O ATOM 1136 CB THR A 71 0.426 14.552 0.893 1.00 0.00 C ATOM 1137 OG1 THR A 71 0.643 13.999 -0.415 1.00 0.00 O ATOM 1138 CG2 THR A 71 0.786 13.515 1.952 1.00 0.00 C ATOM 0 H THR A 71 -1.524 13.509 -0.386 1.00 0.00 H new ATOM 0 HA THR A 71 -1.312 15.172 2.035 1.00 0.00 H new ATOM 0 HB THR A 71 1.056 15.426 1.054 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.082 14.469 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.836 13.242 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.613 13.933 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.166 12.628 1.818 1.00 0.00 H new ATOM 1146 N LEU A 72 -1.580 17.314 0.844 1.00 0.00 N ATOM 1147 CA LEU A 72 -1.820 18.566 0.168 1.00 0.00 C ATOM 1148 C LEU A 72 -0.829 19.625 0.640 1.00 0.00 C ATOM 1149 O LEU A 72 -0.321 19.538 1.762 1.00 0.00 O ATOM 1150 CB LEU A 72 -3.282 19.021 0.370 1.00 0.00 C ATOM 1151 CG LEU A 72 -4.346 18.096 -0.239 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -5.741 18.625 0.004 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -4.111 17.931 -1.725 1.00 0.00 C ATOM 0 H LEU A 72 -1.667 17.358 1.859 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.666 18.423 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.473 19.112 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.399 20.015 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.260 17.125 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.470 17.947 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.920 18.699 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.840 19.611 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.873 17.273 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.165 18.904 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.125 17.497 -1.891 1.00 0.00 H new ATOM 1165 N PRO A 73 -0.478 20.600 -0.218 1.00 0.00 N ATOM 1166 CA PRO A 73 -0.939 20.675 -1.602 1.00 0.00 C ATOM 1167 C PRO A 73 -0.060 19.833 -2.536 1.00 0.00 C ATOM 1168 O PRO A 73 1.170 19.798 -2.383 1.00 0.00 O ATOM 1169 CB PRO A 73 -0.812 22.173 -1.948 1.00 0.00 C ATOM 1170 CG PRO A 73 -0.197 22.831 -0.744 1.00 0.00 C ATOM 1171 CD PRO A 73 0.380 21.734 0.105 1.00 0.00 C ATOM 0 HA PRO A 73 -1.951 20.288 -1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.189 22.317 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.787 22.605 -2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.578 23.536 -1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.945 23.396 -0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.423 21.537 -0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.344 21.981 1.166 1.00 0.00 H new ATOM 1179 N ASP A 74 -0.697 19.193 -3.495 1.00 0.00 N ATOM 1180 CA ASP A 74 -0.052 18.287 -4.470 1.00 0.00 C ATOM 1181 C ASP A 74 -1.161 17.679 -5.281 1.00 0.00 C ATOM 1182 O ASP A 74 -1.052 17.469 -6.489 1.00 0.00 O ATOM 1183 CB ASP A 74 0.730 17.155 -3.773 1.00 0.00 C ATOM 1184 CG ASP A 74 1.553 16.310 -4.733 1.00 0.00 C ATOM 1185 OD1 ASP A 74 2.698 16.704 -5.070 1.00 0.00 O ATOM 1186 OD2 ASP A 74 1.120 15.225 -5.116 1.00 0.00 O ATOM 0 H ASP A 74 -1.704 19.279 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 74 0.658 18.847 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.392 17.589 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.028 16.511 -3.244 1.00 0.00 H new ATOM 1191 N MET A 75 -2.267 17.430 -4.568 1.00 0.00 N ATOM 1192 CA MET A 75 -3.513 16.914 -5.104 1.00 0.00 C ATOM 1193 C MET A 75 -3.396 15.527 -5.681 1.00 0.00 C ATOM 1194 O MET A 75 -4.293 15.036 -6.361 1.00 0.00 O ATOM 1195 CB MET A 75 -4.192 17.912 -6.038 1.00 0.00 C ATOM 1196 CG MET A 75 -4.753 19.143 -5.312 1.00 0.00 C ATOM 1197 SD MET A 75 -3.509 20.178 -4.489 1.00 0.00 S ATOM 1198 CE MET A 75 -4.564 21.417 -3.745 1.00 0.00 C ATOM 0 H MET A 75 -2.310 17.592 -3.562 1.00 0.00 H new ATOM 0 HA MET A 75 -4.182 16.793 -4.252 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.475 18.239 -6.791 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.003 17.410 -6.566 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.295 19.756 -6.032 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.477 18.810 -4.568 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.953 22.135 -3.198 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.122 21.935 -4.525 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.261 20.937 -3.058 1.00 0.00 H new ATOM 1208 N ASN A 76 -2.324 14.884 -5.346 1.00 0.00 N ATOM 1209 CA ASN A 76 -2.094 13.527 -5.691 1.00 0.00 C ATOM 1210 C ASN A 76 -1.819 12.777 -4.428 1.00 0.00 C ATOM 1211 O ASN A 76 -1.586 13.380 -3.367 1.00 0.00 O ATOM 1212 CB ASN A 76 -0.937 13.361 -6.694 1.00 0.00 C ATOM 1213 CG ASN A 76 -1.274 13.801 -8.117 1.00 0.00 C ATOM 1214 OD1 ASN A 76 -2.499 13.594 -8.538 1.00 0.00 O flip ATOM 1215 ND2 ASN A 76 -0.419 14.294 -8.845 1.00 0.00 N flip ATOM 0 H ASN A 76 -1.565 15.305 -4.809 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.978 13.131 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.080 13.935 -6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.634 12.314 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.526 14.444 -8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.653 14.554 -9.803 1.00 0.00 H new ATOM 1222 N TRP A 77 -1.871 11.500 -4.512 1.00 0.00 N ATOM 1223 CA TRP A 77 -1.674 10.667 -3.373 1.00 0.00 C ATOM 1224 C TRP A 77 -0.224 10.286 -3.283 1.00 0.00 C ATOM 1225 O TRP A 77 0.407 9.991 -4.300 1.00 0.00 O ATOM 1226 CB TRP A 77 -2.546 9.427 -3.490 1.00 0.00 C ATOM 1227 CG TRP A 77 -4.015 9.717 -3.462 1.00 0.00 C ATOM 1228 CD1 TRP A 77 -4.776 10.309 -4.439 1.00 0.00 C ATOM 1229 CD2 TRP A 77 -4.897 9.407 -2.405 1.00 0.00 C ATOM 1230 NE1 TRP A 77 -6.075 10.403 -4.021 1.00 0.00 N ATOM 1231 CE2 TRP A 77 -6.177 9.855 -2.773 1.00 0.00 C ATOM 1232 CE3 TRP A 77 -4.721 8.800 -1.176 1.00 0.00 C ATOM 1233 CZ2 TRP A 77 -7.277 9.711 -1.943 1.00 0.00 C ATOM 1234 CZ3 TRP A 77 -5.808 8.652 -0.353 1.00 0.00 C ATOM 1235 CH2 TRP A 77 -7.072 9.108 -0.735 1.00 0.00 C ATOM 0 H TRP A 77 -2.053 10.993 -5.378 1.00 0.00 H new ATOM 0 HA TRP A 77 -1.955 11.204 -2.467 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.305 8.911 -4.419 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.304 8.746 -2.674 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.405 10.649 -5.394 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.842 10.814 -4.553 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -3.747 8.449 -0.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -8.255 10.061 -2.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.685 8.174 0.608 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -7.905 8.981 -0.060 1.00 0.00 H new ATOM 1246 N LYS A 78 0.311 10.305 -2.107 1.00 0.00 N ATOM 1247 CA LYS A 78 1.683 9.946 -1.917 1.00 0.00 C ATOM 1248 C LYS A 78 1.773 8.763 -1.017 1.00 0.00 C ATOM 1249 O LYS A 78 0.882 8.528 -0.178 1.00 0.00 O ATOM 1250 CB LYS A 78 2.525 11.105 -1.370 1.00 0.00 C ATOM 1251 CG LYS A 78 2.652 12.286 -2.314 1.00 0.00 C ATOM 1252 CD LYS A 78 3.570 13.356 -1.732 1.00 0.00 C ATOM 1253 CE LYS A 78 3.583 14.620 -2.584 1.00 0.00 C ATOM 1254 NZ LYS A 78 4.010 14.380 -3.983 1.00 0.00 N ATOM 0 H LYS A 78 -0.184 10.567 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 78 2.095 9.695 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.084 11.449 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.523 10.734 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.044 11.948 -3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.667 12.712 -2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.244 13.603 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.583 12.961 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.585 15.059 -2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.251 15.350 -2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.917 15.259 -4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.002 14.069 -3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.411 13.643 -4.407 1.00 0.00 H new ATOM 1268 N TRP A 79 2.812 8.012 -1.188 1.00 0.00 N ATOM 1269 CA TRP A 79 3.005 6.848 -0.394 1.00 0.00 C ATOM 1270 C TRP A 79 3.954 7.175 0.729 1.00 0.00 C ATOM 1271 O TRP A 79 4.618 8.221 0.719 1.00 0.00 O ATOM 1272 CB TRP A 79 3.598 5.703 -1.191 1.00 0.00 C ATOM 1273 CG TRP A 79 2.977 5.421 -2.502 1.00 0.00 C ATOM 1274 CD1 TRP A 79 3.283 6.008 -3.681 1.00 0.00 C ATOM 1275 CD2 TRP A 79 1.976 4.463 -2.778 1.00 0.00 C ATOM 1276 NE1 TRP A 79 2.534 5.477 -4.679 1.00 0.00 N ATOM 1277 CE2 TRP A 79 1.712 4.530 -4.153 1.00 0.00 C ATOM 1278 CE3 TRP A 79 1.267 3.558 -1.994 1.00 0.00 C ATOM 1279 CZ2 TRP A 79 0.773 3.729 -4.759 1.00 0.00 C ATOM 1280 CZ3 TRP A 79 0.331 2.765 -2.600 1.00 0.00 C ATOM 1281 CH2 TRP A 79 0.094 2.859 -3.969 1.00 0.00 C ATOM 0 H TRP A 79 3.544 8.188 -1.876 1.00 0.00 H new ATOM 0 HA TRP A 79 2.029 6.539 -0.021 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.656 5.911 -1.352 1.00 0.00 H new ATOM 0 HB3 TRP A 79 3.540 4.799 -0.585 1.00 0.00 H new ATOM 0 HD1 TRP A 79 4.019 6.788 -3.810 1.00 0.00 H new ATOM 0 HE1 TRP A 79 2.580 5.744 -5.662 1.00 0.00 H new ATOM 0 HE3 TRP A 79 1.451 3.483 -0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.583 3.790 -5.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.231 2.057 -2.009 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.653 2.220 -4.416 1.00 0.00 H new ATOM 1292 N ILE A 80 4.082 6.259 1.649 1.00 0.00 N ATOM 1293 CA ILE A 80 4.956 6.420 2.805 1.00 0.00 C ATOM 1294 C ILE A 80 6.440 6.296 2.423 1.00 0.00 C ATOM 1295 O ILE A 80 7.317 6.623 3.209 1.00 0.00 O ATOM 1296 CB ILE A 80 4.634 5.385 3.895 1.00 0.00 C ATOM 1297 CG1 ILE A 80 4.861 3.966 3.351 1.00 0.00 C ATOM 1298 CG2 ILE A 80 3.191 5.563 4.356 1.00 0.00 C ATOM 1299 CD1 ILE A 80 4.794 2.872 4.398 1.00 0.00 C ATOM 0 H ILE A 80 3.584 5.369 1.628 1.00 0.00 H new ATOM 0 HA ILE A 80 4.774 7.423 3.191 1.00 0.00 H new ATOM 0 HB ILE A 80 5.295 5.535 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.115 3.762 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.837 3.928 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.963 4.829 5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.059 6.567 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.519 5.420 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.966 1.905 3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.558 3.046 5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.810 2.877 4.867 1.00 0.00 H new ATOM 1311 N ASN A 81 6.704 5.825 1.217 1.00 0.00 N ATOM 1312 CA ASN A 81 8.081 5.666 0.736 1.00 0.00 C ATOM 1313 C ASN A 81 8.565 6.975 0.125 1.00 0.00 C ATOM 1314 O ASN A 81 9.739 7.124 -0.220 1.00 0.00 O ATOM 1315 CB ASN A 81 8.185 4.517 -0.298 1.00 0.00 C ATOM 1316 CG ASN A 81 7.494 4.812 -1.624 1.00 0.00 C ATOM 1317 OD1 ASN A 81 6.552 5.594 -1.687 1.00 0.00 O ATOM 1318 ND2 ASN A 81 7.937 4.181 -2.675 1.00 0.00 N ATOM 0 H ASN A 81 5.989 5.544 0.547 1.00 0.00 H new ATOM 0 HA ASN A 81 8.715 5.407 1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.238 4.307 -0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 81 7.752 3.614 0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.498 4.332 -3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 81 8.723 3.537 -2.589 1.00 0.00 H new ATOM 1325 N GLY A 82 7.632 7.909 -0.006 1.00 0.00 N ATOM 1326 CA GLY A 82 7.933 9.221 -0.549 1.00 0.00 C ATOM 1327 C GLY A 82 7.603 9.355 -2.030 1.00 0.00 C ATOM 1328 O GLY A 82 7.902 10.381 -2.648 1.00 0.00 O ATOM 0 H GLY A 82 6.656 7.778 0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.375 9.973 0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.992 9.433 -0.400 1.00 0.00 H new ATOM 1332 N SER A 83 6.979 8.347 -2.599 1.00 0.00 N ATOM 1333 CA SER A 83 6.655 8.368 -4.017 1.00 0.00 C ATOM 1334 C SER A 83 5.216 8.851 -4.208 1.00 0.00 C ATOM 1335 O SER A 83 4.483 9.031 -3.226 1.00 0.00 O ATOM 1336 CB SER A 83 6.785 6.960 -4.586 1.00 0.00 C ATOM 1337 OG SER A 83 6.985 6.972 -5.984 1.00 0.00 O ATOM 0 H SER A 83 6.685 7.503 -2.107 1.00 0.00 H new ATOM 0 HA SER A 83 7.339 9.042 -4.533 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.619 6.450 -4.105 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.886 6.390 -4.353 1.00 0.00 H new ATOM 0 HG SER A 83 7.065 6.052 -6.311 1.00 0.00 H new ATOM 1343 N THR A 84 4.814 9.037 -5.450 1.00 0.00 N ATOM 1344 CA THR A 84 3.468 9.431 -5.773 1.00 0.00 C ATOM 1345 C THR A 84 2.699 8.231 -6.374 1.00 0.00 C ATOM 1346 O THR A 84 3.285 7.348 -7.014 1.00 0.00 O ATOM 1347 CB THR A 84 3.468 10.648 -6.743 1.00 0.00 C ATOM 1348 OG1 THR A 84 4.225 11.707 -6.139 1.00 0.00 O ATOM 1349 CG2 THR A 84 2.052 11.160 -7.023 1.00 0.00 C ATOM 0 H THR A 84 5.419 8.917 -6.263 1.00 0.00 H new ATOM 0 HA THR A 84 2.960 9.741 -4.860 1.00 0.00 H new ATOM 0 HB THR A 84 3.904 10.329 -7.690 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.237 12.483 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.100 12.009 -7.704 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.460 10.365 -7.476 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.586 11.471 -6.088 1.00 0.00 H new ATOM 1357 N LEU A 85 1.429 8.181 -6.071 1.00 0.00 N ATOM 1358 CA LEU A 85 0.476 7.170 -6.527 1.00 0.00 C ATOM 1359 C LEU A 85 0.435 7.017 -8.039 1.00 0.00 C ATOM 1360 O LEU A 85 0.571 7.985 -8.787 1.00 0.00 O ATOM 1361 CB LEU A 85 -0.931 7.579 -6.073 1.00 0.00 C ATOM 1362 CG LEU A 85 -2.103 6.751 -6.622 1.00 0.00 C ATOM 1363 CD1 LEU A 85 -2.146 5.379 -6.005 1.00 0.00 C ATOM 1364 CD2 LEU A 85 -3.415 7.472 -6.429 1.00 0.00 C ATOM 0 H LEU A 85 0.995 8.878 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 85 0.800 6.221 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.963 7.534 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.090 8.620 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.942 6.626 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.987 4.821 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.218 4.851 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.264 5.469 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.227 6.863 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.581 7.648 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.386 8.426 -6.955 1.00 0.00 H new ATOM 1376 N ASN A 86 0.244 5.794 -8.464 1.00 0.00 N ATOM 1377 CA ASN A 86 -0.027 5.488 -9.839 1.00 0.00 C ATOM 1378 C ASN A 86 -1.547 5.478 -9.969 1.00 0.00 C ATOM 1379 O ASN A 86 -2.203 4.461 -9.725 1.00 0.00 O ATOM 1380 CB ASN A 86 0.554 4.107 -10.211 1.00 0.00 C ATOM 1381 CG ASN A 86 0.435 3.743 -11.690 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -0.487 4.154 -12.388 1.00 0.00 O ATOM 1383 ND2 ASN A 86 1.384 2.985 -12.182 1.00 0.00 N ATOM 0 H ASN A 86 0.273 4.976 -7.855 1.00 0.00 H new ATOM 0 HA ASN A 86 0.430 6.217 -10.509 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.606 4.082 -9.928 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.047 3.344 -9.621 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.368 2.723 -13.168 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.139 2.657 -11.579 1.00 0.00 H new ATOM 1390 N SER A 87 -2.101 6.625 -10.273 1.00 0.00 N ATOM 1391 CA SER A 87 -3.542 6.819 -10.345 1.00 0.00 C ATOM 1392 C SER A 87 -4.144 6.101 -11.553 1.00 0.00 C ATOM 1393 O SER A 87 -5.359 5.932 -11.651 1.00 0.00 O ATOM 1394 CB SER A 87 -3.828 8.315 -10.434 1.00 0.00 C ATOM 1395 OG SER A 87 -3.163 9.023 -9.392 1.00 0.00 O ATOM 0 H SER A 87 -1.563 7.466 -10.482 1.00 0.00 H new ATOM 0 HA SER A 87 -3.999 6.396 -9.450 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.502 8.695 -11.402 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.902 8.488 -10.369 1.00 0.00 H new ATOM 0 HG SER A 87 -3.359 9.980 -9.470 1.00 0.00 H new ATOM 1401 N ASP A 88 -3.281 5.658 -12.444 1.00 0.00 N ATOM 1402 CA ASP A 88 -3.688 5.028 -13.687 1.00 0.00 C ATOM 1403 C ASP A 88 -4.131 3.583 -13.489 1.00 0.00 C ATOM 1404 O ASP A 88 -4.691 2.979 -14.416 1.00 0.00 O ATOM 1405 CB ASP A 88 -2.552 5.067 -14.731 1.00 0.00 C ATOM 1406 CG ASP A 88 -2.159 6.462 -15.176 1.00 0.00 C ATOM 1407 OD1 ASP A 88 -2.721 6.969 -16.163 1.00 0.00 O ATOM 1408 OD2 ASP A 88 -1.238 7.069 -14.573 1.00 0.00 O ATOM 0 H ASP A 88 -2.270 5.725 -12.327 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.540 5.602 -14.051 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.675 4.571 -14.315 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.858 4.493 -15.605 1.00 0.00 H new ATOM 1413 N VAL A 89 -3.894 3.014 -12.302 1.00 0.00 N ATOM 1414 CA VAL A 89 -4.216 1.620 -12.086 1.00 0.00 C ATOM 1415 C VAL A 89 -5.719 1.357 -11.908 1.00 0.00 C ATOM 1416 O VAL A 89 -6.273 0.523 -12.616 1.00 0.00 O ATOM 1417 CB VAL A 89 -3.385 0.958 -10.929 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -1.901 1.091 -11.195 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -3.724 1.521 -9.549 1.00 0.00 C ATOM 0 H VAL A 89 -3.489 3.494 -11.498 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.917 1.131 -13.013 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.661 -0.096 -10.918 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.343 0.626 -10.382 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.654 0.596 -12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.636 2.146 -11.260 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.117 1.023 -8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.518 2.591 -9.532 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.779 1.351 -9.336 1.00 0.00 H new ATOM 1429 N LEU A 90 -6.371 2.095 -11.009 1.00 0.00 N ATOM 1430 CA LEU A 90 -7.773 1.864 -10.634 1.00 0.00 C ATOM 1431 C LEU A 90 -8.358 3.161 -10.113 1.00 0.00 C ATOM 1432 O LEU A 90 -7.659 4.177 -10.095 1.00 0.00 O ATOM 1433 CB LEU A 90 -7.875 0.790 -9.526 1.00 0.00 C ATOM 1434 CG LEU A 90 -7.385 -0.619 -9.874 1.00 0.00 C ATOM 1435 CD1 LEU A 90 -7.408 -1.499 -8.641 1.00 0.00 C ATOM 1436 CD2 LEU A 90 -8.252 -1.247 -10.958 1.00 0.00 C ATOM 0 H LEU A 90 -5.941 2.877 -10.515 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.320 1.517 -11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.311 1.141 -8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.918 0.719 -9.218 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.364 -0.536 -10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.058 -2.498 -8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.757 -1.073 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.426 -1.560 -8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.882 -2.247 -11.186 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.282 -1.312 -10.608 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.213 -0.632 -11.857 1.00 0.00 H new ATOM 1448 N LYS A 91 -9.617 3.124 -9.686 1.00 0.00 N ATOM 1449 CA LYS A 91 -10.302 4.308 -9.180 1.00 0.00 C ATOM 1450 C LYS A 91 -9.704 4.895 -7.907 1.00 0.00 C ATOM 1451 O LYS A 91 -9.884 4.367 -6.822 1.00 0.00 O ATOM 1452 CB LYS A 91 -11.802 4.095 -8.954 1.00 0.00 C ATOM 1453 CG LYS A 91 -12.180 2.913 -8.062 1.00 0.00 C ATOM 1454 CD LYS A 91 -13.501 3.133 -7.293 1.00 0.00 C ATOM 1455 CE LYS A 91 -14.760 3.195 -8.166 1.00 0.00 C ATOM 1456 NZ LYS A 91 -14.896 4.449 -8.945 1.00 0.00 N ATOM 0 H LYS A 91 -10.187 2.278 -9.681 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.153 5.026 -9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.217 5.003 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.281 3.961 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.269 2.016 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.376 2.733 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.620 2.328 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.424 4.062 -6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.753 2.351 -8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.637 3.079 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.904 4.653 -9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.461 5.233 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.419 4.341 -9.863 1.00 0.00 H new ATOM 1470 N ILE A 92 -8.974 5.963 -8.054 1.00 0.00 N ATOM 1471 CA ILE A 92 -8.500 6.735 -6.929 1.00 0.00 C ATOM 1472 C ILE A 92 -8.538 8.187 -7.345 1.00 0.00 C ATOM 1473 O ILE A 92 -7.674 8.650 -8.102 1.00 0.00 O ATOM 1474 CB ILE A 92 -7.060 6.383 -6.484 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -6.907 4.867 -6.349 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -6.770 7.071 -5.144 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -5.642 4.423 -5.675 1.00 0.00 C ATOM 0 H ILE A 92 -8.686 6.329 -8.961 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.142 6.514 -6.076 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.349 6.733 -7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.757 4.478 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.949 4.421 -7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.757 6.829 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.865 8.151 -5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.482 6.723 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.620 3.334 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.783 4.777 -6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.603 4.835 -4.666 1.00 0.00 H new ATOM 1489 N THR A 93 -9.583 8.864 -6.940 1.00 0.00 N ATOM 1490 CA THR A 93 -9.807 10.246 -7.272 1.00 0.00 C ATOM 1491 C THR A 93 -8.662 11.116 -6.737 1.00 0.00 C ATOM 1492 O THR A 93 -8.328 11.058 -5.543 1.00 0.00 O ATOM 1493 CB THR A 93 -11.123 10.702 -6.634 1.00 0.00 C ATOM 1494 OG1 THR A 93 -12.120 9.679 -6.846 1.00 0.00 O ATOM 1495 CG2 THR A 93 -11.605 11.999 -7.266 1.00 0.00 C ATOM 0 H THR A 93 -10.317 8.460 -6.358 1.00 0.00 H new ATOM 0 HA THR A 93 -9.854 10.350 -8.356 1.00 0.00 H new ATOM 0 HB THR A 93 -10.962 10.869 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 93 -12.313 9.229 -5.997 1.00 0.00 H new ATOM 0 HG21 THR A 93 -12.541 12.306 -6.799 1.00 0.00 H new ATOM 0 HG22 THR A 93 -10.855 12.776 -7.120 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.765 11.846 -8.333 1.00 0.00 H new ATOM 1503 N GLY A 94 -8.080 11.917 -7.601 1.00 0.00 N ATOM 1504 CA GLY A 94 -7.011 12.750 -7.198 1.00 0.00 C ATOM 1505 C GLY A 94 -7.565 14.012 -6.670 1.00 0.00 C ATOM 1506 O GLY A 94 -7.172 14.488 -5.613 1.00 0.00 O ATOM 0 H GLY A 94 -8.342 11.997 -8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.412 12.253 -6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.351 12.951 -8.041 1.00 0.00 H new ATOM 1510 N ASP A 95 -8.537 14.543 -7.364 1.00 0.00 N ATOM 1511 CA ASP A 95 -9.169 15.739 -6.908 1.00 0.00 C ATOM 1512 C ASP A 95 -10.283 15.424 -5.935 1.00 0.00 C ATOM 1513 O ASP A 95 -11.435 15.221 -6.292 1.00 0.00 O ATOM 1514 CB ASP A 95 -9.606 16.694 -8.034 1.00 0.00 C ATOM 1515 CG ASP A 95 -10.598 16.098 -9.007 1.00 0.00 C ATOM 1516 OD1 ASP A 95 -10.194 15.280 -9.842 1.00 0.00 O ATOM 1517 OD2 ASP A 95 -11.789 16.464 -8.977 1.00 0.00 O ATOM 0 H ASP A 95 -8.901 14.166 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 95 -8.406 16.302 -6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -10.045 17.586 -7.587 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.722 17.015 -8.585 1.00 0.00 H new ATOM 1522 N THR A 96 -9.901 15.284 -4.715 1.00 0.00 N ATOM 1523 CA THR A 96 -10.840 15.010 -3.668 1.00 0.00 C ATOM 1524 C THR A 96 -10.765 16.087 -2.592 1.00 0.00 C ATOM 1525 O THR A 96 -11.773 16.430 -1.971 1.00 0.00 O ATOM 1526 CB THR A 96 -10.664 13.567 -3.086 1.00 0.00 C ATOM 1527 OG1 THR A 96 -11.626 13.308 -2.066 1.00 0.00 O ATOM 1528 CG2 THR A 96 -9.260 13.354 -2.528 1.00 0.00 C ATOM 0 H THR A 96 -8.931 15.355 -4.407 1.00 0.00 H new ATOM 0 HA THR A 96 -11.843 15.039 -4.094 1.00 0.00 H new ATOM 0 HB THR A 96 -10.819 12.870 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.867 12.358 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.175 12.342 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.527 13.496 -3.322 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.073 14.072 -1.729 1.00 0.00 H new ATOM 1536 N GLU A 97 -9.553 16.629 -2.399 1.00 0.00 N ATOM 1537 CA GLU A 97 -9.288 17.725 -1.469 1.00 0.00 C ATOM 1538 C GLU A 97 -9.745 17.382 -0.031 1.00 0.00 C ATOM 1539 O GLU A 97 -10.178 18.245 0.740 1.00 0.00 O ATOM 1540 CB GLU A 97 -9.924 19.015 -2.006 1.00 0.00 C ATOM 1541 CG GLU A 97 -9.623 19.226 -3.486 1.00 0.00 C ATOM 1542 CD GLU A 97 -9.814 20.642 -3.944 1.00 0.00 C ATOM 1543 OE1 GLU A 97 -10.955 21.039 -4.238 1.00 0.00 O ATOM 1544 OE2 GLU A 97 -8.816 21.384 -4.050 1.00 0.00 O ATOM 0 H GLU A 97 -8.720 16.310 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.212 17.884 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.003 18.977 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.554 19.867 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.595 18.925 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.266 18.573 -4.075 1.00 0.00 H new ATOM 1551 N ASN A 98 -9.609 16.112 0.308 1.00 0.00 N ATOM 1552 CA ASN A 98 -9.923 15.599 1.641 1.00 0.00 C ATOM 1553 C ASN A 98 -8.643 15.242 2.369 1.00 0.00 C ATOM 1554 O ASN A 98 -7.563 15.529 1.897 1.00 0.00 O ATOM 1555 CB ASN A 98 -10.836 14.349 1.583 1.00 0.00 C ATOM 1556 CG ASN A 98 -12.303 14.653 1.362 1.00 0.00 C ATOM 1557 OD1 ASN A 98 -13.043 14.877 2.317 1.00 0.00 O ATOM 1558 ND2 ASN A 98 -12.750 14.591 0.146 1.00 0.00 N ATOM 0 H ASN A 98 -9.274 15.396 -0.337 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.457 16.386 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.488 13.697 0.781 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.729 13.793 2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -13.743 14.730 -0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -12.108 14.403 -0.624 1.00 0.00 H new ATOM 1565 N ASP A 99 -8.777 14.614 3.509 1.00 0.00 N ATOM 1566 CA ASP A 99 -7.635 14.148 4.299 1.00 0.00 C ATOM 1567 C ASP A 99 -7.759 12.621 4.425 1.00 0.00 C ATOM 1568 O ASP A 99 -7.234 11.984 5.321 1.00 0.00 O ATOM 1569 CB ASP A 99 -7.662 14.842 5.677 1.00 0.00 C ATOM 1570 CG ASP A 99 -6.495 14.480 6.572 1.00 0.00 C ATOM 1571 OD1 ASP A 99 -5.370 14.998 6.357 1.00 0.00 O ATOM 1572 OD2 ASP A 99 -6.687 13.687 7.522 1.00 0.00 O ATOM 0 H ASP A 99 -9.682 14.404 3.930 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.683 14.392 3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.671 15.922 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.591 14.582 6.185 1.00 0.00 H new ATOM 1577 N SER A 100 -8.426 12.067 3.459 1.00 0.00 N ATOM 1578 CA SER A 100 -8.776 10.673 3.415 1.00 0.00 C ATOM 1579 C SER A 100 -7.543 9.785 3.088 1.00 0.00 C ATOM 1580 O SER A 100 -6.538 10.265 2.542 1.00 0.00 O ATOM 1581 CB SER A 100 -9.884 10.518 2.359 1.00 0.00 C ATOM 1582 OG SER A 100 -10.428 9.232 2.320 1.00 0.00 O ATOM 0 H SER A 100 -8.756 12.590 2.648 1.00 0.00 H new ATOM 0 HA SER A 100 -9.132 10.338 4.389 1.00 0.00 H new ATOM 0 HB2 SER A 100 -10.678 11.236 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.479 10.765 1.377 1.00 0.00 H new ATOM 0 HG SER A 100 -10.195 8.753 3.143 1.00 0.00 H new ATOM 1588 N CYS A 101 -7.625 8.518 3.463 1.00 0.00 N ATOM 1589 CA CYS A 101 -6.589 7.529 3.191 1.00 0.00 C ATOM 1590 C CYS A 101 -7.230 6.400 2.383 1.00 0.00 C ATOM 1591 O CYS A 101 -8.402 6.080 2.608 1.00 0.00 O ATOM 1592 CB CYS A 101 -6.008 6.988 4.507 1.00 0.00 C ATOM 1593 SG CYS A 101 -5.165 8.242 5.549 1.00 0.00 S ATOM 0 H CYS A 101 -8.424 8.141 3.972 1.00 0.00 H new ATOM 0 HA CYS A 101 -5.769 7.978 2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -6.814 6.538 5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -5.299 6.193 4.275 1.00 0.00 H new ATOM 1598 N ALA A 102 -6.502 5.803 1.459 1.00 0.00 N ATOM 1599 CA ALA A 102 -7.104 4.813 0.571 1.00 0.00 C ATOM 1600 C ALA A 102 -6.919 3.363 1.048 1.00 0.00 C ATOM 1601 O ALA A 102 -5.920 3.016 1.716 1.00 0.00 O ATOM 1602 CB ALA A 102 -6.646 5.007 -0.886 1.00 0.00 C ATOM 0 H ALA A 102 -5.510 5.978 1.301 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.178 4.993 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.114 4.252 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.937 6.000 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.562 4.906 -0.943 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.881 2.533 0.690 1.00 0.00 N ATOM 1609 CA ALA A 103 -7.928 1.132 1.041 1.00 0.00 C ATOM 1610 C ALA A 103 -8.504 0.328 -0.126 1.00 0.00 C ATOM 1611 O ALA A 103 -9.240 0.860 -0.947 1.00 0.00 O ATOM 1612 CB ALA A 103 -8.819 0.929 2.280 1.00 0.00 C ATOM 0 H ALA A 103 -8.678 2.830 0.127 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.917 0.790 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.849 -0.130 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.412 1.495 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.829 1.278 2.063 1.00 0.00 H new ATOM 1618 N ILE A 104 -8.149 -0.929 -0.192 1.00 0.00 N ATOM 1619 CA ILE A 104 -8.714 -1.869 -1.155 1.00 0.00 C ATOM 1620 C ILE A 104 -10.057 -2.249 -0.634 1.00 0.00 C ATOM 1621 O ILE A 104 -10.160 -2.816 0.447 1.00 0.00 O ATOM 1622 CB ILE A 104 -7.830 -3.163 -1.265 1.00 0.00 C ATOM 1623 CG1 ILE A 104 -6.485 -2.896 -1.961 1.00 0.00 C ATOM 1624 CG2 ILE A 104 -8.579 -4.361 -1.923 1.00 0.00 C ATOM 1625 CD1 ILE A 104 -6.588 -2.705 -3.453 1.00 0.00 C ATOM 0 H ILE A 104 -7.451 -1.345 0.425 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.765 -1.412 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.615 -3.455 -0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.032 -2.007 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -5.812 -3.729 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.915 -5.224 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.458 -4.611 -1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.889 -4.087 -2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -5.596 -2.522 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -7.010 -3.602 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.233 -1.853 -3.667 1.00 0.00 H new ATOM 1637 N SER A 105 -11.061 -1.914 -1.353 1.00 0.00 N ATOM 1638 CA SER A 105 -12.374 -2.222 -0.958 1.00 0.00 C ATOM 1639 C SER A 105 -13.039 -2.892 -2.140 1.00 0.00 C ATOM 1640 O SER A 105 -13.514 -2.236 -3.078 1.00 0.00 O ATOM 1641 CB SER A 105 -13.108 -0.947 -0.515 1.00 0.00 C ATOM 1642 OG SER A 105 -14.270 -1.232 0.257 1.00 0.00 O ATOM 0 H SER A 105 -10.990 -1.414 -2.239 1.00 0.00 H new ATOM 0 HA SER A 105 -12.393 -2.894 -0.100 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.430 -0.325 0.069 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.392 -0.370 -1.395 1.00 0.00 H new ATOM 0 HG SER A 105 -14.013 -1.392 1.189 1.00 0.00 H new ATOM 1648 N GLY A 106 -12.971 -4.187 -2.145 1.00 0.00 N ATOM 1649 CA GLY A 106 -13.517 -4.966 -3.214 1.00 0.00 C ATOM 1650 C GLY A 106 -12.506 -5.140 -4.308 1.00 0.00 C ATOM 1651 O GLY A 106 -11.348 -5.453 -4.053 1.00 0.00 O ATOM 0 H GLY A 106 -12.534 -4.736 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.827 -5.941 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.408 -4.478 -3.609 1.00 0.00 H new ATOM 1655 N ASP A 107 -12.945 -4.928 -5.520 1.00 0.00 N ATOM 1656 CA ASP A 107 -12.078 -4.931 -6.700 1.00 0.00 C ATOM 1657 C ASP A 107 -11.735 -3.496 -7.017 1.00 0.00 C ATOM 1658 O ASP A 107 -11.251 -3.168 -8.103 1.00 0.00 O ATOM 1659 CB ASP A 107 -12.787 -5.553 -7.930 1.00 0.00 C ATOM 1660 CG ASP A 107 -13.006 -7.052 -7.854 1.00 0.00 C ATOM 1661 OD1 ASP A 107 -14.076 -7.496 -7.355 1.00 0.00 O ATOM 1662 OD2 ASP A 107 -12.142 -7.810 -8.338 1.00 0.00 O ATOM 0 H ASP A 107 -13.925 -4.745 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.190 -5.527 -6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.754 -5.066 -8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -12.198 -5.332 -8.820 1.00 0.00 H new ATOM 1667 N LYS A 108 -11.991 -2.641 -6.058 1.00 0.00 N ATOM 1668 CA LYS A 108 -11.843 -1.228 -6.221 1.00 0.00 C ATOM 1669 C LYS A 108 -10.935 -0.708 -5.134 1.00 0.00 C ATOM 1670 O LYS A 108 -10.632 -1.416 -4.168 1.00 0.00 O ATOM 1671 CB LYS A 108 -13.208 -0.540 -6.041 1.00 0.00 C ATOM 1672 CG LYS A 108 -14.384 -1.199 -6.755 1.00 0.00 C ATOM 1673 CD LYS A 108 -14.214 -1.229 -8.255 1.00 0.00 C ATOM 1674 CE LYS A 108 -15.327 -2.033 -8.921 1.00 0.00 C ATOM 1675 NZ LYS A 108 -16.686 -1.557 -8.565 1.00 0.00 N ATOM 0 H LYS A 108 -12.313 -2.918 -5.131 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.438 -1.023 -7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.433 -0.495 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.124 0.488 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.502 -2.218 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.300 -0.663 -6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -14.215 -0.211 -8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -13.247 -1.665 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -15.204 -1.984 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -15.230 -3.081 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.391 -2.051 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.870 -1.753 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.751 -0.533 -8.735 1.00 0.00 H new ATOM 1689 N VAL A 109 -10.528 0.508 -5.274 1.00 0.00 N ATOM 1690 CA VAL A 109 -9.778 1.178 -4.260 1.00 0.00 C ATOM 1691 C VAL A 109 -10.671 2.297 -3.821 1.00 0.00 C ATOM 1692 O VAL A 109 -11.278 2.948 -4.662 1.00 0.00 O ATOM 1693 CB VAL A 109 -8.461 1.804 -4.773 1.00 0.00 C ATOM 1694 CG1 VAL A 109 -7.555 2.179 -3.608 1.00 0.00 C ATOM 1695 CG2 VAL A 109 -7.740 0.917 -5.773 1.00 0.00 C ATOM 0 H VAL A 109 -10.707 1.073 -6.104 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.498 0.468 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.728 2.714 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.633 2.618 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.063 2.902 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.319 1.286 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.823 1.407 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.495 -0.036 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -8.384 0.742 -6.635 1.00 0.00 H new ATOM 1705 N THR A 110 -10.825 2.484 -2.566 1.00 0.00 N ATOM 1706 CA THR A 110 -11.677 3.521 -2.090 1.00 0.00 C ATOM 1707 C THR A 110 -10.905 4.326 -1.086 1.00 0.00 C ATOM 1708 O THR A 110 -9.823 3.921 -0.676 1.00 0.00 O ATOM 1709 CB THR A 110 -12.966 2.936 -1.434 1.00 0.00 C ATOM 1710 OG1 THR A 110 -12.636 2.199 -0.240 1.00 0.00 O ATOM 1711 CG2 THR A 110 -13.678 1.995 -2.403 1.00 0.00 C ATOM 0 H THR A 110 -10.371 1.931 -1.839 1.00 0.00 H new ATOM 0 HA THR A 110 -11.994 4.147 -2.924 1.00 0.00 H new ATOM 0 HB THR A 110 -13.620 3.771 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 110 -13.043 2.636 0.537 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.575 1.596 -1.930 1.00 0.00 H new ATOM 0 HG22 THR A 110 -13.956 2.542 -3.304 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.012 1.174 -2.669 1.00 0.00 H new ATOM 1719 N PHE A 111 -11.405 5.449 -0.713 1.00 0.00 N ATOM 1720 CA PHE A 111 -10.764 6.233 0.285 1.00 0.00 C ATOM 1721 C PHE A 111 -11.685 6.499 1.436 1.00 0.00 C ATOM 1722 O PHE A 111 -12.827 6.945 1.260 1.00 0.00 O ATOM 1723 CB PHE A 111 -10.066 7.477 -0.281 1.00 0.00 C ATOM 1724 CG PHE A 111 -10.806 8.185 -1.370 1.00 0.00 C ATOM 1725 CD1 PHE A 111 -11.783 9.117 -1.078 1.00 0.00 C ATOM 1726 CD2 PHE A 111 -10.510 7.911 -2.701 1.00 0.00 C ATOM 1727 CE1 PHE A 111 -12.457 9.764 -2.089 1.00 0.00 C ATOM 1728 CE2 PHE A 111 -11.179 8.553 -3.710 1.00 0.00 C ATOM 1729 CZ PHE A 111 -12.156 9.484 -3.408 1.00 0.00 C ATOM 0 H PHE A 111 -12.265 5.850 -1.087 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.942 5.645 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.894 8.179 0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.087 7.183 -0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.020 9.340 -0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.746 7.186 -2.941 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -13.220 10.490 -1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.943 8.332 -4.741 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.683 9.992 -4.202 1.00 0.00 H new ATOM 1739 N GLU A 112 -11.194 6.200 2.602 1.00 0.00 N ATOM 1740 CA GLU A 112 -11.963 6.230 3.805 1.00 0.00 C ATOM 1741 C GLU A 112 -11.318 7.215 4.777 1.00 0.00 C ATOM 1742 O GLU A 112 -10.200 7.713 4.532 1.00 0.00 O ATOM 1743 CB GLU A 112 -11.908 4.840 4.461 1.00 0.00 C ATOM 1744 CG GLU A 112 -12.171 3.638 3.547 1.00 0.00 C ATOM 1745 CD GLU A 112 -13.561 3.586 2.992 1.00 0.00 C ATOM 1746 OE1 GLU A 112 -14.518 3.376 3.779 1.00 0.00 O ATOM 1747 OE2 GLU A 112 -13.739 3.733 1.769 1.00 0.00 O ATOM 0 H GLU A 112 -10.223 5.922 2.744 1.00 0.00 H new ATOM 0 HA GLU A 112 -12.989 6.518 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.924 4.715 4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.636 4.817 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.461 3.662 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.979 2.722 4.105 1.00 0.00 H new ATOM 1754 N SER A 113 -12.005 7.513 5.846 1.00 0.00 N ATOM 1755 CA SER A 113 -11.442 8.259 6.939 1.00 0.00 C ATOM 1756 C SER A 113 -10.347 7.387 7.558 1.00 0.00 C ATOM 1757 O SER A 113 -10.592 6.231 7.878 1.00 0.00 O ATOM 1758 CB SER A 113 -12.547 8.524 7.942 1.00 0.00 C ATOM 1759 OG SER A 113 -13.646 9.171 7.307 1.00 0.00 O ATOM 0 H SER A 113 -12.979 7.243 5.984 1.00 0.00 H new ATOM 0 HA SER A 113 -11.020 9.212 6.620 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.877 7.585 8.387 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.169 9.146 8.754 1.00 0.00 H new ATOM 0 HG SER A 113 -14.354 9.335 7.965 1.00 0.00 H new ATOM 1765 N CYS A 114 -9.159 7.927 7.723 1.00 0.00 N ATOM 1766 CA CYS A 114 -7.974 7.160 8.165 1.00 0.00 C ATOM 1767 C CYS A 114 -8.167 6.540 9.561 1.00 0.00 C ATOM 1768 O CYS A 114 -7.493 5.577 9.930 1.00 0.00 O ATOM 1769 CB CYS A 114 -6.759 8.083 8.157 1.00 0.00 C ATOM 1770 SG CYS A 114 -6.649 9.094 6.641 1.00 0.00 S ATOM 0 H CYS A 114 -8.968 8.915 7.558 1.00 0.00 H new ATOM 0 HA CYS A 114 -7.824 6.332 7.472 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -6.803 8.741 9.025 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.853 7.485 8.256 1.00 0.00 H new ATOM 1775 N ASN A 115 -9.119 7.070 10.290 1.00 0.00 N ATOM 1776 CA ASN A 115 -9.425 6.635 11.646 1.00 0.00 C ATOM 1777 C ASN A 115 -10.447 5.493 11.664 1.00 0.00 C ATOM 1778 O ASN A 115 -10.819 5.013 12.734 1.00 0.00 O ATOM 1779 CB ASN A 115 -9.987 7.813 12.463 1.00 0.00 C ATOM 1780 CG ASN A 115 -11.330 8.322 11.920 1.00 0.00 C ATOM 1781 OD1 ASN A 115 -11.287 9.274 10.999 1.00 0.00 O flip ATOM 1782 ND2 ASN A 115 -12.389 7.859 12.330 1.00 0.00 N flip ATOM 0 H ASN A 115 -9.716 7.828 9.960 1.00 0.00 H new ATOM 0 HA ASN A 115 -8.495 6.275 12.086 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -10.113 7.503 13.500 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -9.265 8.630 12.460 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.385 7.127 13.040 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -13.274 8.206 11.961 1.00 0.00 H new ATOM 1789 N SER A 116 -10.904 5.058 10.502 1.00 0.00 N ATOM 1790 CA SER A 116 -11.914 4.018 10.469 1.00 0.00 C ATOM 1791 C SER A 116 -11.310 2.627 10.664 1.00 0.00 C ATOM 1792 O SER A 116 -10.143 2.391 10.326 1.00 0.00 O ATOM 1793 CB SER A 116 -12.792 4.107 9.199 1.00 0.00 C ATOM 1794 OG SER A 116 -12.042 4.049 7.995 1.00 0.00 O ATOM 0 H SER A 116 -10.600 5.400 9.590 1.00 0.00 H new ATOM 0 HA SER A 116 -12.577 4.189 11.318 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.516 3.292 9.208 1.00 0.00 H new ATOM 0 HB3 SER A 116 -13.359 5.038 9.222 1.00 0.00 H new ATOM 0 HG SER A 116 -11.703 4.942 7.777 1.00 0.00 H new ATOM 1800 N ASP A 117 -12.091 1.744 11.242 1.00 0.00 N ATOM 1801 CA ASP A 117 -11.683 0.375 11.500 1.00 0.00 C ATOM 1802 C ASP A 117 -11.734 -0.436 10.218 1.00 0.00 C ATOM 1803 O ASP A 117 -12.816 -0.736 9.696 1.00 0.00 O ATOM 1804 CB ASP A 117 -12.591 -0.252 12.568 1.00 0.00 C ATOM 1805 CG ASP A 117 -12.311 -1.701 12.846 1.00 0.00 C ATOM 1806 OD1 ASP A 117 -11.466 -2.004 13.718 1.00 0.00 O ATOM 1807 OD2 ASP A 117 -12.951 -2.578 12.219 1.00 0.00 O ATOM 0 H ASP A 117 -13.040 1.955 11.551 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.658 0.374 11.870 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.483 0.311 13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -13.629 -0.149 12.251 1.00 0.00 H new ATOM 1812 N ASN A 118 -10.577 -0.724 9.685 1.00 0.00 N ATOM 1813 CA ASN A 118 -10.426 -1.521 8.474 1.00 0.00 C ATOM 1814 C ASN A 118 -9.208 -2.368 8.605 1.00 0.00 C ATOM 1815 O ASN A 118 -8.441 -2.193 9.519 1.00 0.00 O ATOM 1816 CB ASN A 118 -10.307 -0.657 7.204 1.00 0.00 C ATOM 1817 CG ASN A 118 -11.619 -0.096 6.705 1.00 0.00 C ATOM 1818 OD1 ASN A 118 -12.676 -0.713 6.842 1.00 0.00 O ATOM 1819 ND2 ASN A 118 -11.565 1.058 6.104 1.00 0.00 N ATOM 0 H ASN A 118 -9.690 -0.410 10.079 1.00 0.00 H new ATOM 0 HA ASN A 118 -11.323 -2.131 8.367 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.625 0.169 7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -9.858 -1.256 6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.416 1.478 5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -10.672 1.542 6.008 1.00 0.00 H new ATOM 1826 N ARG A 119 -9.005 -3.245 7.688 1.00 0.00 N ATOM 1827 CA ARG A 119 -7.885 -4.153 7.750 1.00 0.00 C ATOM 1828 C ARG A 119 -6.777 -3.498 6.953 1.00 0.00 C ATOM 1829 O ARG A 119 -6.977 -2.396 6.488 1.00 0.00 O ATOM 1830 CB ARG A 119 -8.235 -5.527 7.135 1.00 0.00 C ATOM 1831 CG ARG A 119 -9.489 -6.262 7.642 1.00 0.00 C ATOM 1832 CD ARG A 119 -10.776 -5.564 7.250 1.00 0.00 C ATOM 1833 NE ARG A 119 -11.954 -6.388 7.489 1.00 0.00 N ATOM 1834 CZ ARG A 119 -13.084 -5.999 8.116 1.00 0.00 C ATOM 1835 NH1 ARG A 119 -13.127 -4.853 8.807 1.00 0.00 N ATOM 1836 NH2 ARG A 119 -14.137 -6.804 8.107 1.00 0.00 N ATOM 0 H ARG A 119 -9.602 -3.364 6.869 1.00 0.00 H new ATOM 0 HA ARG A 119 -7.596 -4.338 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -8.343 -5.390 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -7.380 -6.186 7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.496 -7.277 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.442 -6.345 8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.867 -4.634 7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.733 -5.295 6.194 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.921 -7.350 7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -12.298 -4.261 8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -13.988 -4.572 9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -14.087 -7.704 7.630 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -14.998 -6.523 8.577 1.00 0.00 H new ATOM 1850 N TRP A 120 -5.650 -4.144 6.743 1.00 0.00 N ATOM 1851 CA TRP A 120 -4.570 -3.475 6.019 1.00 0.00 C ATOM 1852 C TRP A 120 -3.638 -4.476 5.352 1.00 0.00 C ATOM 1853 O TRP A 120 -3.698 -5.675 5.632 1.00 0.00 O ATOM 1854 CB TRP A 120 -3.777 -2.532 6.952 1.00 0.00 C ATOM 1855 CG TRP A 120 -2.946 -3.226 7.990 1.00 0.00 C ATOM 1856 CD1 TRP A 120 -1.615 -3.460 7.918 1.00 0.00 C ATOM 1857 CD2 TRP A 120 -3.378 -3.776 9.244 1.00 0.00 C ATOM 1858 NE1 TRP A 120 -1.185 -4.114 9.034 1.00 0.00 N ATOM 1859 CE2 TRP A 120 -2.243 -4.321 9.866 1.00 0.00 C ATOM 1860 CE3 TRP A 120 -4.604 -3.857 9.900 1.00 0.00 C ATOM 1861 CZ2 TRP A 120 -2.297 -4.942 11.101 1.00 0.00 C ATOM 1862 CZ3 TRP A 120 -4.652 -4.474 11.128 1.00 0.00 C ATOM 1863 CH2 TRP A 120 -3.504 -5.008 11.717 1.00 0.00 C ATOM 0 H TRP A 120 -5.452 -5.097 7.047 1.00 0.00 H new ATOM 0 HA TRP A 120 -5.030 -2.875 5.234 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.124 -1.906 6.343 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.479 -1.866 7.454 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -0.982 -3.169 7.092 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -0.224 -4.402 9.217 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.497 -3.444 9.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -1.411 -5.359 11.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.596 -4.547 11.647 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.579 -5.484 12.684 1.00 0.00 H new ATOM 1874 N ILE A 121 -2.790 -3.985 4.474 1.00 0.00 N ATOM 1875 CA ILE A 121 -1.826 -4.815 3.786 1.00 0.00 C ATOM 1876 C ILE A 121 -0.421 -4.279 4.012 1.00 0.00 C ATOM 1877 O ILE A 121 -0.127 -3.113 3.729 1.00 0.00 O ATOM 1878 CB ILE A 121 -2.107 -4.883 2.260 1.00 0.00 C ATOM 1879 CG1 ILE A 121 -3.501 -5.448 2.008 1.00 0.00 C ATOM 1880 CG2 ILE A 121 -1.056 -5.756 1.556 1.00 0.00 C ATOM 1881 CD1 ILE A 121 -3.973 -5.289 0.587 1.00 0.00 C ATOM 0 H ILE A 121 -2.750 -2.999 4.217 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.913 -5.822 4.195 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.051 -3.873 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.506 -6.507 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.209 -4.954 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.269 -5.792 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -0.065 -5.331 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -1.087 -6.765 1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -4.971 -5.714 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.002 -4.230 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.288 -5.807 -0.084 1.00 0.00 H new ATOM 1893 N CYS A 122 0.418 -5.114 4.524 1.00 0.00 N ATOM 1894 CA CYS A 122 1.804 -4.774 4.735 1.00 0.00 C ATOM 1895 C CYS A 122 2.626 -5.369 3.638 1.00 0.00 C ATOM 1896 O CYS A 122 2.378 -6.498 3.231 1.00 0.00 O ATOM 1897 CB CYS A 122 2.307 -5.342 6.060 1.00 0.00 C ATOM 1898 SG CYS A 122 1.503 -4.677 7.530 1.00 0.00 S ATOM 0 H CYS A 122 0.171 -6.060 4.813 1.00 0.00 H new ATOM 0 HA CYS A 122 1.892 -3.688 4.749 1.00 0.00 H new ATOM 0 HB2 CYS A 122 2.172 -6.424 6.049 1.00 0.00 H new ATOM 0 HB3 CYS A 122 3.378 -5.155 6.135 1.00 0.00 H new ATOM 1903 N GLN A 123 3.575 -4.640 3.150 1.00 0.00 N ATOM 1904 CA GLN A 123 4.483 -5.181 2.212 1.00 0.00 C ATOM 1905 C GLN A 123 5.876 -5.005 2.757 1.00 0.00 C ATOM 1906 O GLN A 123 6.199 -3.994 3.373 1.00 0.00 O ATOM 1907 CB GLN A 123 4.402 -4.547 0.817 1.00 0.00 C ATOM 1908 CG GLN A 123 5.060 -3.187 0.701 1.00 0.00 C ATOM 1909 CD GLN A 123 5.319 -2.802 -0.724 1.00 0.00 C ATOM 1910 OE1 GLN A 123 6.389 -2.094 -0.944 1.00 0.00 O flip ATOM 1911 NE2 GLN A 123 4.590 -3.163 -1.615 1.00 0.00 N flip ATOM 0 H GLN A 123 3.737 -3.662 3.392 1.00 0.00 H new ATOM 0 HA GLN A 123 4.219 -6.230 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.866 -5.223 0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 123 3.353 -4.453 0.536 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.423 -2.436 1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 123 6.001 -3.193 1.251 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.760 -3.717 -1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.803 -2.914 -2.581 1.00 0.00 H new ATOM 1920 N LYS A 124 6.668 -5.950 2.577 1.00 0.00 N ATOM 1921 CA LYS A 124 8.022 -5.839 2.960 1.00 0.00 C ATOM 1922 C LYS A 124 8.808 -5.762 1.696 1.00 0.00 C ATOM 1923 O LYS A 124 8.635 -6.620 0.835 1.00 0.00 O ATOM 1924 CB LYS A 124 8.450 -7.056 3.768 1.00 0.00 C ATOM 1925 CG LYS A 124 9.872 -6.975 4.282 1.00 0.00 C ATOM 1926 CD LYS A 124 10.320 -8.292 4.869 1.00 0.00 C ATOM 1927 CE LYS A 124 9.662 -8.639 6.190 1.00 0.00 C ATOM 1928 NZ LYS A 124 10.278 -7.884 7.304 1.00 0.00 N ATOM 0 H LYS A 124 6.413 -6.843 2.156 1.00 0.00 H new ATOM 0 HA LYS A 124 8.182 -4.961 3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 124 7.773 -7.176 4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.347 -7.947 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 124 10.539 -6.692 3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.943 -6.194 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 124 10.111 -9.086 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.401 -8.265 5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.596 -8.415 6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.754 -9.709 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.680 -7.965 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 11.221 -8.273 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.366 -6.883 7.038 1.00 0.00 H new ATOM 1942 N GLU A 125 9.600 -4.730 1.539 1.00 0.00 N ATOM 1943 CA GLU A 125 10.425 -4.630 0.376 1.00 0.00 C ATOM 1944 C GLU A 125 11.532 -5.653 0.514 1.00 0.00 C ATOM 1945 O GLU A 125 12.362 -5.589 1.426 1.00 0.00 O ATOM 1946 CB GLU A 125 10.939 -3.205 0.172 1.00 0.00 C ATOM 1947 CG GLU A 125 11.794 -3.020 -1.070 1.00 0.00 C ATOM 1948 CD GLU A 125 12.146 -1.574 -1.325 1.00 0.00 C ATOM 1949 OE1 GLU A 125 12.795 -0.942 -0.473 1.00 0.00 O ATOM 1950 OE2 GLU A 125 11.777 -1.038 -2.392 1.00 0.00 O ATOM 0 H GLU A 125 9.686 -3.957 2.199 1.00 0.00 H new ATOM 0 HA GLU A 125 9.852 -4.848 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 125 10.086 -2.528 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.521 -2.913 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 125 12.711 -3.600 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 125 11.263 -3.418 -1.934 1.00 0.00 H new ATOM 1957 N LEU A 126 11.489 -6.610 -0.367 1.00 0.00 N ATOM 1958 CA LEU A 126 12.319 -7.785 -0.319 1.00 0.00 C ATOM 1959 C LEU A 126 13.749 -7.433 -0.689 1.00 0.00 C ATOM 1960 O LEU A 126 14.702 -8.100 -0.302 1.00 0.00 O ATOM 1961 CB LEU A 126 11.685 -8.829 -1.243 1.00 0.00 C ATOM 1962 CG LEU A 126 12.121 -10.254 -1.130 1.00 0.00 C ATOM 1963 CD1 LEU A 126 12.076 -10.704 0.306 1.00 0.00 C ATOM 1964 CD2 LEU A 126 11.154 -11.067 -1.924 1.00 0.00 C ATOM 0 H LEU A 126 10.855 -6.596 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 126 12.375 -8.203 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 126 10.607 -8.800 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 126 11.862 -8.511 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 126 13.142 -10.370 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 126 12.396 -11.744 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.741 -10.081 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 126 11.058 -10.614 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 126 11.433 -12.119 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 126 10.151 -10.937 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 126 11.171 -10.739 -2.963 1.00 0.00 H new ATOM 1976 N TYR A 127 13.879 -6.370 -1.419 1.00 0.00 N ATOM 1977 CA TYR A 127 15.165 -5.808 -1.736 1.00 0.00 C ATOM 1978 C TYR A 127 15.482 -4.722 -0.744 1.00 0.00 C ATOM 1979 O TYR A 127 14.797 -3.721 -0.660 1.00 0.00 O ATOM 1980 CB TYR A 127 15.214 -5.298 -3.170 1.00 0.00 C ATOM 1981 CG TYR A 127 15.371 -6.402 -4.176 1.00 0.00 C ATOM 1982 CD1 TYR A 127 14.325 -7.249 -4.471 1.00 0.00 C ATOM 1983 CD2 TYR A 127 16.583 -6.611 -4.812 1.00 0.00 C ATOM 1984 CE1 TYR A 127 14.472 -8.268 -5.374 1.00 0.00 C ATOM 1985 CE2 TYR A 127 16.741 -7.634 -5.718 1.00 0.00 C ATOM 1986 CZ TYR A 127 15.680 -8.458 -5.992 1.00 0.00 C ATOM 1987 OH TYR A 127 15.820 -9.473 -6.882 1.00 0.00 O ATOM 0 H TYR A 127 13.091 -5.859 -1.818 1.00 0.00 H new ATOM 0 HA TYR A 127 15.925 -6.586 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 127 14.300 -4.744 -3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.043 -4.598 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 127 13.373 -7.107 -3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 127 17.417 -5.961 -4.593 1.00 0.00 H new ATOM 0 HE1 TYR A 127 13.640 -8.919 -5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 127 17.691 -7.787 -6.208 1.00 0.00 H new ATOM 0 HH TYR A 127 16.734 -9.475 -7.235 1.00 0.00 H new ATOM 1997 N HIS A 128 16.513 -4.926 0.004 1.00 0.00 N ATOM 1998 CA HIS A 128 16.868 -4.034 1.091 1.00 0.00 C ATOM 1999 C HIS A 128 17.972 -3.109 0.631 1.00 0.00 C ATOM 2000 O HIS A 128 18.910 -2.809 1.388 1.00 0.00 O ATOM 2001 CB HIS A 128 17.334 -4.857 2.313 1.00 0.00 C ATOM 2002 CG HIS A 128 16.344 -5.901 2.769 1.00 0.00 C ATOM 2003 ND1 HIS A 128 15.289 -5.639 3.609 1.00 0.00 N ATOM 2004 CD2 HIS A 128 16.244 -7.214 2.455 1.00 0.00 C ATOM 2005 CE1 HIS A 128 14.586 -6.739 3.784 1.00 0.00 C ATOM 2006 NE2 HIS A 128 15.145 -7.704 3.097 1.00 0.00 N ATOM 0 H HIS A 128 17.147 -5.717 -0.110 1.00 0.00 H new ATOM 0 HA HIS A 128 16.000 -3.443 1.381 1.00 0.00 H new ATOM 0 HB2 HIS A 128 18.276 -5.348 2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 128 17.534 -4.176 3.140 1.00 0.00 H new ATOM 0 HD2 HIS A 128 16.912 -7.771 1.814 1.00 0.00 H new ATOM 0 HE1 HIS A 128 13.698 -6.830 4.392 1.00 0.00 H new ATOM 0 HE2 HIS A 128 14.812 -8.667 3.050 1.00 0.00 H new ATOM 2015 N GLU A 129 17.825 -2.593 -0.587 1.00 0.00 N ATOM 2016 CA GLU A 129 18.846 -1.773 -1.218 1.00 0.00 C ATOM 2017 C GLU A 129 18.894 -0.355 -0.623 1.00 0.00 C ATOM 2018 O GLU A 129 18.435 0.619 -1.213 1.00 0.00 O ATOM 2019 CB GLU A 129 18.661 -1.733 -2.739 1.00 0.00 C ATOM 2020 CG GLU A 129 18.524 -3.110 -3.398 1.00 0.00 C ATOM 2021 CD GLU A 129 19.682 -4.057 -3.126 1.00 0.00 C ATOM 2022 OE1 GLU A 129 20.709 -3.985 -3.839 1.00 0.00 O ATOM 2023 OE2 GLU A 129 19.559 -4.925 -2.236 1.00 0.00 O ATOM 0 H GLU A 129 16.994 -2.734 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 129 19.809 -2.239 -1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 129 17.773 -1.144 -2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 129 19.511 -1.215 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 129 17.602 -3.575 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 129 18.427 -2.975 -4.475 1.00 0.00 H new ATOM 2030 N THR A 130 19.346 -0.299 0.593 1.00 0.00 N ATOM 2031 CA THR A 130 19.562 0.909 1.367 1.00 0.00 C ATOM 2032 C THR A 130 20.523 0.525 2.482 1.00 0.00 C ATOM 2033 O THR A 130 21.582 1.111 2.648 1.00 0.00 O ATOM 2034 CB THR A 130 18.237 1.440 1.999 1.00 0.00 C ATOM 2035 OG1 THR A 130 17.253 1.656 0.974 1.00 0.00 O ATOM 2036 CG2 THR A 130 18.476 2.750 2.749 1.00 0.00 C ATOM 0 H THR A 130 19.592 -1.141 1.113 1.00 0.00 H new ATOM 0 HA THR A 130 19.951 1.700 0.725 1.00 0.00 H new ATOM 0 HB THR A 130 17.877 0.690 2.704 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.674 1.568 0.093 1.00 0.00 H new ATOM 0 HG21 THR A 130 17.538 3.099 3.180 1.00 0.00 H new ATOM 0 HG22 THR A 130 19.202 2.586 3.545 1.00 0.00 H new ATOM 0 HG23 THR A 130 18.859 3.501 2.057 1.00 0.00 H new ATOM 2044 N LEU A 131 20.155 -0.543 3.179 1.00 0.00 N ATOM 2045 CA LEU A 131 20.947 -1.120 4.257 1.00 0.00 C ATOM 2046 C LEU A 131 21.693 -2.319 3.687 1.00 0.00 C ATOM 2047 O LEU A 131 22.097 -3.243 4.400 1.00 0.00 O ATOM 2048 CB LEU A 131 20.013 -1.571 5.383 1.00 0.00 C ATOM 2049 CG LEU A 131 19.119 -0.487 6.003 1.00 0.00 C ATOM 2050 CD1 LEU A 131 18.205 -1.091 7.049 1.00 0.00 C ATOM 2051 CD2 LEU A 131 19.958 0.625 6.618 1.00 0.00 C ATOM 0 H LEU A 131 19.282 -1.041 3.007 1.00 0.00 H new ATOM 0 HA LEU A 131 21.652 -0.392 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 131 19.372 -2.364 4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 131 20.620 -2.008 6.176 1.00 0.00 H new ATOM 0 HG LEU A 131 18.510 -0.056 5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 131 17.578 -0.310 7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 131 17.574 -1.850 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 131 18.805 -1.549 7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 131 19.301 1.380 7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 131 20.596 0.210 7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 131 20.578 1.082 5.847 1.00 0.00 H new ATOM 2063 N SER A 132 21.854 -2.276 2.392 1.00 0.00 N ATOM 2064 CA SER A 132 22.510 -3.277 1.631 1.00 0.00 C ATOM 2065 C SER A 132 24.005 -3.184 1.870 1.00 0.00 C ATOM 2066 O SER A 132 24.633 -2.201 1.464 1.00 0.00 O ATOM 2067 CB SER A 132 22.153 -3.017 0.176 1.00 0.00 C ATOM 2068 OG SER A 132 22.305 -1.620 -0.114 1.00 0.00 O ATOM 0 H SER A 132 21.512 -1.502 1.823 1.00 0.00 H new ATOM 0 HA SER A 132 22.201 -4.283 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 132 22.796 -3.607 -0.478 1.00 0.00 H new ATOM 0 HB3 SER A 132 21.127 -3.330 -0.019 1.00 0.00 H new ATOM 0 HG SER A 132 23.137 -1.292 0.286 1.00 0.00 H new ATOM 2074 N ASN A 133 24.546 -4.185 2.550 1.00 0.00 N ATOM 2075 CA ASN A 133 25.946 -4.236 2.965 1.00 0.00 C ATOM 2076 C ASN A 133 26.247 -3.185 3.976 1.00 0.00 C ATOM 2077 O ASN A 133 26.176 -3.434 5.180 1.00 0.00 O ATOM 2078 CB ASN A 133 26.972 -4.191 1.799 1.00 0.00 C ATOM 2079 CG ASN A 133 27.062 -5.471 0.981 1.00 0.00 C ATOM 2080 OD1 ASN A 133 26.880 -6.605 1.598 1.00 0.00 O flip ATOM 2081 ND2 ASN A 133 27.344 -5.434 -0.211 1.00 0.00 N flip ATOM 0 H ASN A 133 24.013 -5.006 2.837 1.00 0.00 H new ATOM 0 HA ASN A 133 26.068 -5.219 3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 133 26.709 -3.369 1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 133 27.957 -3.968 2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 133 27.482 -4.536 -0.675 1.00 0.00 H new ATOM 0 HD22 ASN A 133 27.440 -6.301 -0.739 1.00 0.00 H new ATOM 2088 N TYR A 134 26.509 -2.008 3.499 1.00 0.00 N ATOM 2089 CA TYR A 134 26.921 -0.916 4.308 1.00 0.00 C ATOM 2090 C TYR A 134 26.281 0.330 3.758 1.00 0.00 C ATOM 2091 O TYR A 134 26.126 0.467 2.540 1.00 0.00 O ATOM 2092 CB TYR A 134 28.452 -0.789 4.261 1.00 0.00 C ATOM 2093 CG TYR A 134 29.177 -2.024 4.739 1.00 0.00 C ATOM 2094 CD1 TYR A 134 29.255 -2.330 6.088 1.00 0.00 C ATOM 2095 CD2 TYR A 134 29.738 -2.911 3.829 1.00 0.00 C ATOM 2096 CE1 TYR A 134 29.879 -3.480 6.516 1.00 0.00 C ATOM 2097 CE2 TYR A 134 30.352 -4.063 4.247 1.00 0.00 C ATOM 2098 CZ TYR A 134 30.421 -4.344 5.587 1.00 0.00 C ATOM 2099 OH TYR A 134 31.025 -5.504 6.005 1.00 0.00 O ATOM 0 H TYR A 134 26.439 -1.780 2.507 1.00 0.00 H new ATOM 0 HA TYR A 134 26.620 -1.068 5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 134 28.759 -0.571 3.238 1.00 0.00 H new ATOM 0 HB3 TYR A 134 28.757 0.060 4.873 1.00 0.00 H new ATOM 0 HD1 TYR A 134 28.821 -1.658 6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 134 29.690 -2.689 2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 134 29.944 -3.704 7.571 1.00 0.00 H new ATOM 0 HE2 TYR A 134 30.778 -4.744 3.526 1.00 0.00 H new ATOM 0 HH TYR A 134 31.353 -6.001 5.227 1.00 0.00 H new ATOM 2109 N VAL A 135 25.884 1.208 4.629 1.00 0.00 N ATOM 2110 CA VAL A 135 25.265 2.458 4.220 1.00 0.00 C ATOM 2111 C VAL A 135 26.358 3.504 3.991 1.00 0.00 C ATOM 2112 O VAL A 135 26.190 4.467 3.226 1.00 0.00 O ATOM 2113 CB VAL A 135 24.258 2.958 5.297 1.00 0.00 C ATOM 2114 CG1 VAL A 135 23.521 4.217 4.845 1.00 0.00 C ATOM 2115 CG2 VAL A 135 23.265 1.861 5.638 1.00 0.00 C ATOM 0 H VAL A 135 25.973 1.091 5.638 1.00 0.00 H new ATOM 0 HA VAL A 135 24.711 2.295 3.295 1.00 0.00 H new ATOM 0 HB VAL A 135 24.830 3.214 6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 135 22.828 4.533 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 135 24.242 5.012 4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 135 22.966 4.005 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 135 22.567 2.224 6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 135 22.715 1.577 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 135 23.800 0.994 6.026 1.00 0.00 H new ATOM 2125 N GLY A 136 27.480 3.287 4.631 1.00 0.00 N ATOM 2126 CA GLY A 136 28.594 4.179 4.526 1.00 0.00 C ATOM 2127 C GLY A 136 28.553 5.221 5.606 1.00 0.00 C ATOM 2128 O GLY A 136 28.752 6.412 5.341 1.00 0.00 O ATOM 0 H GLY A 136 27.641 2.484 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 136 29.524 3.615 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 136 28.587 4.662 3.549 1.00 0.00 H new ATOM 2132 N TYR A 137 28.266 4.787 6.826 1.00 0.00 N ATOM 2133 CA TYR A 137 28.188 5.698 7.948 1.00 0.00 C ATOM 2134 C TYR A 137 29.557 6.249 8.291 1.00 0.00 C ATOM 2135 O TYR A 137 30.581 5.573 8.124 1.00 0.00 O ATOM 2136 CB TYR A 137 27.594 5.039 9.181 1.00 0.00 C ATOM 2137 CG TYR A 137 26.165 4.554 9.039 1.00 0.00 C ATOM 2138 CD1 TYR A 137 25.124 5.444 8.805 1.00 0.00 C ATOM 2139 CD2 TYR A 137 25.853 3.214 9.180 1.00 0.00 C ATOM 2140 CE1 TYR A 137 23.816 5.006 8.714 1.00 0.00 C ATOM 2141 CE2 TYR A 137 24.553 2.769 9.084 1.00 0.00 C ATOM 2142 CZ TYR A 137 23.539 3.665 8.853 1.00 0.00 C ATOM 2143 OH TYR A 137 22.233 3.214 8.774 1.00 0.00 O ATOM 0 H TYR A 137 28.084 3.811 7.058 1.00 0.00 H new ATOM 0 HA TYR A 137 27.530 6.511 7.642 1.00 0.00 H new ATOM 0 HB2 TYR A 137 28.221 4.191 9.456 1.00 0.00 H new ATOM 0 HB3 TYR A 137 27.638 5.749 10.007 1.00 0.00 H new ATOM 0 HD1 TYR A 137 25.340 6.496 8.692 1.00 0.00 H new ATOM 0 HD2 TYR A 137 26.644 2.503 9.369 1.00 0.00 H new ATOM 0 HE1 TYR A 137 23.017 5.711 8.535 1.00 0.00 H new ATOM 0 HE2 TYR A 137 24.332 1.717 9.190 1.00 0.00 H new ATOM 0 HH TYR A 137 22.215 2.241 8.893 1.00 0.00 H new ATOM 2153 N GLY A 138 29.571 7.457 8.751 1.00 0.00 N ATOM 2154 CA GLY A 138 30.795 8.119 9.099 1.00 0.00 C ATOM 2155 C GLY A 138 30.942 9.364 8.283 1.00 0.00 C ATOM 2156 O GLY A 138 31.562 10.336 8.721 1.00 0.00 O ATOM 0 H GLY A 138 28.733 8.019 8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 138 30.798 8.366 10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 138 31.642 7.455 8.924 1.00 0.00 H new ATOM 2160 N HIS A 139 30.321 9.328 7.104 1.00 0.00 N ATOM 2161 CA HIS A 139 30.318 10.432 6.138 1.00 0.00 C ATOM 2162 C HIS A 139 31.745 10.733 5.668 1.00 0.00 C ATOM 2163 O HIS A 139 32.218 10.053 4.741 1.00 0.00 O ATOM 2164 CB HIS A 139 29.620 11.696 6.720 1.00 0.00 C ATOM 2165 CG HIS A 139 29.533 12.870 5.778 1.00 0.00 C ATOM 2166 ND1 HIS A 139 30.523 13.810 5.665 1.00 0.00 N ATOM 2167 CD2 HIS A 139 28.565 13.253 4.920 1.00 0.00 C ATOM 2168 CE1 HIS A 139 30.178 14.715 4.787 1.00 0.00 C ATOM 2169 NE2 HIS A 139 28.991 14.403 4.315 1.00 0.00 N ATOM 2170 OXT HIS A 139 32.403 11.643 6.223 1.00 0.00 O ATOM 0 H HIS A 139 29.794 8.515 6.785 1.00 0.00 H new ATOM 0 HA HIS A 139 29.737 10.125 5.268 1.00 0.00 H new ATOM 0 HB2 HIS A 139 28.611 11.424 7.031 1.00 0.00 H new ATOM 0 HB3 HIS A 139 30.157 12.008 7.616 1.00 0.00 H new ATOM 0 HD1 HIS A 139 31.399 13.805 6.188 1.00 0.00 H new ATOM 0 HD2 HIS A 139 27.628 12.746 4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 139 30.767 15.573 4.498 1.00 0.00 H new TER 2179 HIS A 139