USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1445 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: B 55 SER OG : rot -43:sc= 1.88 USER MOD Set 1.2: B 85 LYS NZ :NH3+ 176:sc= 1.64 (180deg=0.508) USER MOD Set 2.1: B 48 HIS : no HE2:sc= -0.728 K(o=0.43,f=-4.9!) USER MOD Set 2.2: B 89 LYS NZ :NH3+ 147:sc= 1.16 (180deg=-4.18!) USER MOD Set 3.1: B 36 ASN : amide:sc= -0.85 K(o=-1.4,f=-2.7!) USER MOD Set 3.2: B 67 GLN : amide:sc= -0.55! K(o=-1.4!,f=-2.7) USER MOD Set 4.1: A 55 SER OG : rot -56:sc= 1.91 USER MOD Set 4.2: A 85 LYS NZ :NH3+ -112:sc= 1.24 (180deg=0) USER MOD Set 5.1: A 48 HIS : no HE2:sc= -0.209 K(o=0.98,f=-11!) USER MOD Set 5.2: A 90 LYS NZ :NH3+ 180:sc= 1.19 (180deg=0) USER MOD Set 6.1: A 44 GLN : amide:sc= 0.856 K(o=1,f=-0.032) USER MOD Set 6.2: A 45 GLN : amide:sc= 0.143 K(o=1,f=-0.032) USER MOD Set 7.1: A 36 ASN : amide:sc= 1.3 K(o=3.9,f=-7.9!) USER MOD Set 7.2: A 39 LYS NZ :NH3+ -147:sc= 2.33 (180deg=0.203) USER MOD Set 7.3: A 67 GLN : amide:sc= 0.276 K(o=3.9,f=-7.2!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 140:sc= -0.0257 USER MOD Single : A 15 THR OG1 : rot 124:sc= 1.32 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 130:sc= -0.678 USER MOD Single : A 34 SER OG : rot 180:sc=-0.00236 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 141:sc=-0.00777 (180deg=-0.124) USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.172 (180deg=-1.59!) USER MOD Single : A 60 MET CE :methyl 173:sc= 0 (180deg=-0.0739) USER MOD Single : A 61 LYS NZ :NH3+ -163:sc= -0.264 (180deg=-2.47!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.437 K(o=-0.44,f=-3.9!) USER MOD Single : A 69 SER OG : rot -40:sc= 0.843 USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 0.794 (180deg=0.000906) USER MOD Single : A 74 ASN : amide:sc= 0.955 K(o=0.95,f=-2.2!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= 1.51 (180deg=0.479) USER MOD Single : A 91 LYS NZ :NH3+ -154:sc= 1.01 (180deg=-2.1!) USER MOD Single : A 94 LYS NZ :NH3+ 152:sc= 1.23 (180deg=1.14) USER MOD Single : B 7 THR OG1 : rot -170:sc= -0.0164 USER MOD Single : B 12 SER OG : rot 70:sc= 1.13 USER MOD Single : B 15 THR OG1 : rot 73:sc= 0.557 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 81:sc= 1.26 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -65:sc= 1.15 USER MOD Single : B 34 SER OG : rot 87:sc= 1.24 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 45 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.14) USER MOD Single : B 51 LYS NZ :NH3+ 174:sc= 1.32 (180deg=1.17) USER MOD Single : B 59 LYS NZ :NH3+ -150:sc= -0.351 (180deg=-3.53!) USER MOD Single : B 60 MET CE :methyl -177:sc= -0.0113 (180deg=-0.028) USER MOD Single : B 61 LYS NZ :NH3+ 140:sc= 1.15 (180deg=0.901) USER MOD Single : B 62 SER OG : rot 97:sc= 0.115 USER MOD Single : B 66 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.011) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.16) USER MOD Single : B 74 ASN : amide:sc= 0.465 K(o=0.46,f=-0.77) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 90 LYS NZ :NH3+ 163:sc= 1.1 (180deg=0.845) USER MOD Single : B 91 LYS NZ :NH3+ 150:sc= 1.06 (180deg=-1.91!) USER MOD Single : B 94 LYS NZ :NH3+ -143:sc= 1.82 (180deg=-0.143!) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -14.094 -12.875 8.409 1.00 1.17 N ATOM 41 CA GLU A 4 -14.361 -11.571 7.820 1.00 1.19 C ATOM 42 C GLU A 4 -14.347 -11.657 6.294 1.00 1.24 C ATOM 43 O GLU A 4 -13.708 -12.553 5.740 1.00 1.13 O ATOM 44 CB GLU A 4 -13.332 -10.568 8.362 1.00 1.28 C ATOM 45 CG GLU A 4 -11.880 -10.708 7.879 1.00 1.77 C ATOM 46 CD GLU A 4 -11.069 -11.840 8.506 1.00 3.43 C ATOM 47 OE1 GLU A 4 -11.657 -12.678 9.219 1.00 4.30 O ATOM 48 OE2 GLU A 4 -9.833 -11.811 8.334 1.00 4.46 O ATOM 0 HA GLU A 4 -15.357 -11.226 8.098 1.00 1.19 H new ATOM 0 HB2 GLU A 4 -13.675 -9.565 8.109 1.00 1.28 H new ATOM 0 HB3 GLU A 4 -13.333 -10.640 9.450 1.00 1.28 H new ATOM 0 HG2 GLU A 4 -11.890 -10.851 6.798 1.00 1.77 H new ATOM 0 HG3 GLU A 4 -11.362 -9.768 8.071 1.00 1.77 H new ATOM 55 N PRO A 5 -15.020 -10.738 5.585 1.00 1.60 N ATOM 56 CA PRO A 5 -15.101 -10.784 4.136 1.00 1.74 C ATOM 57 C PRO A 5 -13.822 -10.213 3.509 1.00 1.60 C ATOM 58 O PRO A 5 -13.895 -9.333 2.650 1.00 1.86 O ATOM 59 CB PRO A 5 -16.351 -9.962 3.802 1.00 2.33 C ATOM 60 CG PRO A 5 -16.324 -8.873 4.875 1.00 2.59 C ATOM 61 CD PRO A 5 -15.793 -9.616 6.102 1.00 1.98 C ATOM 0 HA PRO A 5 -15.180 -11.795 3.736 1.00 1.74 H new ATOM 0 HB2 PRO A 5 -16.305 -9.543 2.797 1.00 2.33 H new ATOM 0 HB3 PRO A 5 -17.259 -10.563 3.856 1.00 2.33 H new ATOM 0 HG2 PRO A 5 -15.675 -8.044 4.593 1.00 2.59 H new ATOM 0 HG3 PRO A 5 -17.315 -8.456 5.053 1.00 2.59 H new ATOM 0 HD2 PRO A 5 -15.172 -8.963 6.716 1.00 1.98 H new ATOM 0 HD3 PRO A 5 -16.611 -9.963 6.733 1.00 1.98 H new ATOM 69 N LEU A 6 -12.646 -10.734 3.884 1.00 1.31 N ATOM 70 CA LEU A 6 -11.410 -10.184 3.339 1.00 1.33 C ATOM 71 C LEU A 6 -11.198 -10.732 1.925 1.00 1.14 C ATOM 72 O LEU A 6 -10.840 -11.887 1.715 1.00 1.74 O ATOM 73 CB LEU A 6 -10.188 -10.363 4.264 1.00 1.43 C ATOM 74 CG LEU A 6 -9.491 -11.736 4.330 1.00 1.41 C ATOM 75 CD1 LEU A 6 -8.271 -11.623 5.251 1.00 2.24 C ATOM 76 CD2 LEU A 6 -10.411 -12.862 4.814 1.00 2.17 C ATOM 0 H LEU A 6 -12.530 -11.507 4.539 1.00 1.31 H new ATOM 0 HA LEU A 6 -11.516 -9.101 3.276 1.00 1.33 H new ATOM 0 HB2 LEU A 6 -9.440 -9.629 3.965 1.00 1.43 H new ATOM 0 HB3 LEU A 6 -10.501 -10.105 5.276 1.00 1.43 H new ATOM 0 HG LEU A 6 -9.193 -12.003 3.316 1.00 1.41 H new ATOM 0 HD11 LEU A 6 -7.767 -12.588 5.308 1.00 2.24 H new ATOM 0 HD12 LEU A 6 -7.583 -10.877 4.853 1.00 2.24 H new ATOM 0 HD13 LEU A 6 -8.594 -11.324 6.248 1.00 2.24 H new ATOM 0 HD21 LEU A 6 -9.857 -13.800 4.837 1.00 2.17 H new ATOM 0 HD22 LEU A 6 -10.774 -12.630 5.816 1.00 2.17 H new ATOM 0 HD23 LEU A 6 -11.258 -12.957 4.135 1.00 2.17 H new ATOM 88 N THR A 7 -11.462 -9.873 0.943 1.00 0.80 N ATOM 89 CA THR A 7 -11.149 -10.116 -0.457 1.00 0.83 C ATOM 90 C THR A 7 -9.678 -9.718 -0.656 1.00 0.79 C ATOM 91 O THR A 7 -9.135 -9.001 0.182 1.00 0.80 O ATOM 92 CB THR A 7 -12.129 -9.284 -1.305 1.00 0.94 C ATOM 93 OG1 THR A 7 -13.454 -9.511 -0.859 1.00 1.37 O ATOM 94 CG2 THR A 7 -12.078 -9.650 -2.789 1.00 1.26 C ATOM 0 H THR A 7 -11.909 -8.971 1.105 1.00 0.80 H new ATOM 0 HA THR A 7 -11.263 -11.157 -0.761 1.00 0.83 H new ATOM 0 HB THR A 7 -11.834 -8.241 -1.189 1.00 0.94 H new ATOM 0 HG1 THR A 7 -14.076 -8.980 -1.398 1.00 1.37 H new ATOM 0 HG21 THR A 7 -12.788 -9.034 -3.340 1.00 1.26 H new ATOM 0 HG22 THR A 7 -11.073 -9.476 -3.172 1.00 1.26 H new ATOM 0 HG23 THR A 7 -12.337 -10.701 -2.914 1.00 1.26 H new ATOM 102 N GLU A 8 -9.015 -10.165 -1.724 1.00 0.83 N ATOM 103 CA GLU A 8 -7.581 -9.982 -1.935 1.00 0.83 C ATOM 104 C GLU A 8 -7.136 -8.531 -1.702 1.00 0.80 C ATOM 105 O GLU A 8 -6.163 -8.261 -0.996 1.00 0.82 O ATOM 106 CB GLU A 8 -7.197 -10.455 -3.347 1.00 0.93 C ATOM 107 CG GLU A 8 -7.551 -11.930 -3.616 1.00 1.08 C ATOM 108 CD GLU A 8 -8.891 -12.116 -4.321 1.00 1.83 C ATOM 109 OE1 GLU A 8 -9.907 -11.696 -3.724 1.00 3.21 O ATOM 110 OE2 GLU A 8 -8.877 -12.669 -5.441 1.00 2.45 O ATOM 0 H GLU A 8 -9.471 -10.675 -2.481 1.00 0.83 H new ATOM 0 HA GLU A 8 -7.057 -10.589 -1.197 1.00 0.83 H new ATOM 0 HB2 GLU A 8 -7.702 -9.828 -4.082 1.00 0.93 H new ATOM 0 HB3 GLU A 8 -6.126 -10.314 -3.490 1.00 0.93 H new ATOM 0 HG2 GLU A 8 -6.765 -12.379 -4.223 1.00 1.08 H new ATOM 0 HG3 GLU A 8 -7.570 -12.469 -2.669 1.00 1.08 H new ATOM 117 N LEU A 9 -7.872 -7.576 -2.279 1.00 0.80 N ATOM 118 CA LEU A 9 -7.565 -6.164 -2.093 1.00 0.80 C ATOM 119 C LEU A 9 -7.604 -5.814 -0.600 1.00 0.82 C ATOM 120 O LEU A 9 -6.709 -5.134 -0.105 1.00 0.93 O ATOM 121 CB LEU A 9 -8.535 -5.292 -2.905 1.00 0.84 C ATOM 122 CG LEU A 9 -8.206 -5.211 -4.408 1.00 0.81 C ATOM 123 CD1 LEU A 9 -8.453 -6.510 -5.191 1.00 2.31 C ATOM 124 CD2 LEU A 9 -8.921 -4.030 -5.073 1.00 2.27 C ATOM 0 H LEU A 9 -8.679 -7.759 -2.875 1.00 0.80 H new ATOM 0 HA LEU A 9 -6.559 -5.963 -2.461 1.00 0.80 H new ATOM 0 HB2 LEU A 9 -9.545 -5.685 -2.786 1.00 0.84 H new ATOM 0 HB3 LEU A 9 -8.534 -4.284 -2.490 1.00 0.84 H new ATOM 0 HG LEU A 9 -7.129 -5.048 -4.449 1.00 0.81 H new ATOM 0 HD11 LEU A 9 -8.194 -6.358 -6.239 1.00 2.31 H new ATOM 0 HD12 LEU A 9 -7.836 -7.307 -4.777 1.00 2.31 H new ATOM 0 HD13 LEU A 9 -9.504 -6.787 -5.114 1.00 2.31 H new ATOM 0 HD21 LEU A 9 -8.668 -4.001 -6.133 1.00 2.27 H new ATOM 0 HD22 LEU A 9 -9.999 -4.147 -4.961 1.00 2.27 H new ATOM 0 HD23 LEU A 9 -8.606 -3.100 -4.599 1.00 2.27 H new ATOM 136 N GLU A 10 -8.628 -6.305 0.108 1.00 0.81 N ATOM 137 CA GLU A 10 -8.809 -6.116 1.544 1.00 0.88 C ATOM 138 C GLU A 10 -7.606 -6.683 2.308 1.00 0.76 C ATOM 139 O GLU A 10 -6.915 -5.973 3.040 1.00 0.79 O ATOM 140 CB GLU A 10 -10.118 -6.786 2.015 1.00 1.10 C ATOM 141 CG GLU A 10 -11.050 -5.836 2.774 1.00 1.34 C ATOM 142 CD GLU A 10 -10.483 -5.295 4.077 1.00 1.73 C ATOM 143 OE1 GLU A 10 -9.283 -4.951 4.105 1.00 2.83 O ATOM 144 OE2 GLU A 10 -11.237 -5.151 5.065 1.00 2.58 O ATOM 0 H GLU A 10 -9.371 -6.859 -0.318 1.00 0.81 H new ATOM 0 HA GLU A 10 -8.878 -5.048 1.751 1.00 0.88 H new ATOM 0 HB2 GLU A 10 -10.645 -7.185 1.148 1.00 1.10 H new ATOM 0 HB3 GLU A 10 -9.874 -7.633 2.657 1.00 1.10 H new ATOM 0 HG2 GLU A 10 -11.297 -4.996 2.125 1.00 1.34 H new ATOM 0 HG3 GLU A 10 -11.982 -6.358 2.989 1.00 1.34 H new ATOM 151 N GLU A 11 -7.339 -7.977 2.093 1.00 0.74 N ATOM 152 CA GLU A 11 -6.200 -8.683 2.663 1.00 0.74 C ATOM 153 C GLU A 11 -4.953 -7.807 2.568 1.00 0.72 C ATOM 154 O GLU A 11 -4.257 -7.596 3.560 1.00 0.79 O ATOM 155 CB GLU A 11 -6.037 -10.044 1.965 1.00 0.86 C ATOM 156 CG GLU A 11 -4.790 -10.825 2.410 1.00 1.27 C ATOM 157 CD GLU A 11 -3.556 -10.458 1.590 1.00 2.95 C ATOM 158 OE1 GLU A 11 -3.513 -10.881 0.417 1.00 4.01 O ATOM 159 OE2 GLU A 11 -2.688 -9.747 2.143 1.00 4.15 O ATOM 0 H GLU A 11 -7.925 -8.569 1.505 1.00 0.74 H new ATOM 0 HA GLU A 11 -6.364 -8.886 3.721 1.00 0.74 H new ATOM 0 HB2 GLU A 11 -6.922 -10.650 2.160 1.00 0.86 H new ATOM 0 HB3 GLU A 11 -5.990 -9.886 0.888 1.00 0.86 H new ATOM 0 HG2 GLU A 11 -4.596 -10.626 3.464 1.00 1.27 H new ATOM 0 HG3 GLU A 11 -4.981 -11.894 2.317 1.00 1.27 H new ATOM 166 N SER A 12 -4.714 -7.214 1.397 1.00 0.75 N ATOM 167 CA SER A 12 -3.523 -6.412 1.226 1.00 0.82 C ATOM 168 C SER A 12 -3.494 -5.198 2.163 1.00 0.84 C ATOM 169 O SER A 12 -2.419 -4.809 2.622 1.00 0.97 O ATOM 170 CB SER A 12 -3.369 -6.013 -0.242 1.00 0.87 C ATOM 171 OG SER A 12 -2.030 -5.641 -0.503 1.00 1.59 O ATOM 0 H SER A 12 -5.318 -7.276 0.578 1.00 0.75 H new ATOM 0 HA SER A 12 -2.663 -7.020 1.508 1.00 0.82 H new ATOM 0 HB2 SER A 12 -3.656 -6.844 -0.886 1.00 0.87 H new ATOM 0 HB3 SER A 12 -4.038 -5.184 -0.474 1.00 0.87 H new ATOM 0 HG SER A 12 -1.758 -5.990 -1.377 1.00 1.59 H new ATOM 177 N ILE A 13 -4.650 -4.592 2.455 1.00 0.76 N ATOM 178 CA ILE A 13 -4.718 -3.514 3.429 1.00 0.68 C ATOM 179 C ILE A 13 -4.350 -4.086 4.806 1.00 0.53 C ATOM 180 O ILE A 13 -3.470 -3.551 5.486 1.00 0.52 O ATOM 181 CB ILE A 13 -6.107 -2.837 3.474 1.00 0.80 C ATOM 182 CG1 ILE A 13 -6.870 -2.738 2.144 1.00 1.59 C ATOM 183 CG2 ILE A 13 -6.001 -1.440 4.095 1.00 0.54 C ATOM 184 CD1 ILE A 13 -6.170 -2.097 0.950 1.00 0.80 C ATOM 0 H ILE A 13 -5.545 -4.834 2.029 1.00 0.76 H new ATOM 0 HA ILE A 13 -4.013 -2.736 3.134 1.00 0.68 H new ATOM 0 HB ILE A 13 -6.700 -3.514 4.090 1.00 0.80 H new ATOM 0 HG12 ILE A 13 -7.163 -3.747 1.854 1.00 1.59 H new ATOM 0 HG13 ILE A 13 -7.788 -2.180 2.329 1.00 1.59 H new ATOM 0 HG21 ILE A 13 -6.987 -0.977 4.119 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -5.613 -1.522 5.110 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -5.327 -0.826 3.497 1.00 0.54 H new ATOM 0 HD11 ILE A 13 -6.839 -2.103 0.090 1.00 0.80 H new ATOM 0 HD12 ILE A 13 -5.902 -1.069 1.194 1.00 0.80 H new ATOM 0 HD13 ILE A 13 -5.268 -2.660 0.712 1.00 0.80 H new ATOM 196 N GLU A 14 -5.032 -5.174 5.199 1.00 0.53 N ATOM 197 CA GLU A 14 -4.847 -5.854 6.480 1.00 0.62 C ATOM 198 C GLU A 14 -3.360 -6.120 6.730 1.00 0.63 C ATOM 199 O GLU A 14 -2.821 -5.802 7.786 1.00 0.65 O ATOM 200 CB GLU A 14 -5.619 -7.181 6.516 1.00 0.95 C ATOM 201 CG GLU A 14 -7.131 -6.998 6.357 1.00 1.59 C ATOM 202 CD GLU A 14 -7.820 -6.773 7.696 1.00 2.93 C ATOM 203 OE1 GLU A 14 -8.010 -7.781 8.417 1.00 3.29 O ATOM 204 OE2 GLU A 14 -8.129 -5.594 7.989 1.00 4.37 O ATOM 0 H GLU A 14 -5.745 -5.612 4.615 1.00 0.53 H new ATOM 0 HA GLU A 14 -5.235 -5.203 7.263 1.00 0.62 H new ATOM 0 HB2 GLU A 14 -5.252 -7.830 5.721 1.00 0.95 H new ATOM 0 HB3 GLU A 14 -5.417 -7.687 7.460 1.00 0.95 H new ATOM 0 HG2 GLU A 14 -7.327 -6.150 5.701 1.00 1.59 H new ATOM 0 HG3 GLU A 14 -7.554 -7.879 5.874 1.00 1.59 H new ATOM 211 N THR A 15 -2.699 -6.714 5.743 1.00 0.66 N ATOM 212 CA THR A 15 -1.303 -7.104 5.810 1.00 0.73 C ATOM 213 C THR A 15 -0.409 -5.907 6.142 1.00 0.69 C ATOM 214 O THR A 15 0.448 -6.008 7.021 1.00 0.81 O ATOM 215 CB THR A 15 -0.931 -7.835 4.513 1.00 0.83 C ATOM 216 OG1 THR A 15 -1.726 -9.004 4.482 1.00 0.87 O ATOM 217 CG2 THR A 15 0.545 -8.242 4.478 1.00 1.02 C ATOM 0 H THR A 15 -3.136 -6.942 4.850 1.00 0.66 H new ATOM 0 HA THR A 15 -1.138 -7.803 6.630 1.00 0.73 H new ATOM 0 HB THR A 15 -1.101 -7.178 3.660 1.00 0.83 H new ATOM 0 HG1 THR A 15 -2.251 -9.021 3.655 1.00 0.87 H new ATOM 0 HG21 THR A 15 0.759 -8.756 3.541 1.00 1.02 H new ATOM 0 HG22 THR A 15 1.170 -7.352 4.555 1.00 1.02 H new ATOM 0 HG23 THR A 15 0.759 -8.908 5.314 1.00 1.02 H new ATOM 225 N VAL A 16 -0.611 -4.747 5.513 1.00 0.58 N ATOM 226 CA VAL A 16 0.165 -3.574 5.879 1.00 0.54 C ATOM 227 C VAL A 16 -0.090 -3.225 7.351 1.00 0.54 C ATOM 228 O VAL A 16 0.843 -3.133 8.150 1.00 0.60 O ATOM 229 CB VAL A 16 -0.160 -2.412 4.935 1.00 0.52 C ATOM 230 CG1 VAL A 16 0.502 -1.143 5.469 1.00 0.53 C ATOM 231 CG2 VAL A 16 0.357 -2.695 3.518 1.00 0.61 C ATOM 0 H VAL A 16 -1.290 -4.602 4.766 1.00 0.58 H new ATOM 0 HA VAL A 16 1.230 -3.783 5.772 1.00 0.54 H new ATOM 0 HB VAL A 16 -1.242 -2.288 4.888 1.00 0.52 H new ATOM 0 HG11 VAL A 16 0.278 -0.308 4.805 1.00 0.53 H new ATOM 0 HG12 VAL A 16 0.120 -0.926 6.467 1.00 0.53 H new ATOM 0 HG13 VAL A 16 1.581 -1.288 5.517 1.00 0.53 H new ATOM 0 HG21 VAL A 16 0.114 -1.855 2.867 1.00 0.61 H new ATOM 0 HG22 VAL A 16 1.438 -2.831 3.546 1.00 0.61 H new ATOM 0 HG23 VAL A 16 -0.113 -3.600 3.133 1.00 0.61 H new ATOM 241 N VAL A 17 -1.354 -3.026 7.731 1.00 0.54 N ATOM 242 CA VAL A 17 -1.664 -2.625 9.100 1.00 0.66 C ATOM 243 C VAL A 17 -1.225 -3.672 10.140 1.00 0.79 C ATOM 244 O VAL A 17 -0.940 -3.304 11.279 1.00 0.93 O ATOM 245 CB VAL A 17 -3.125 -2.173 9.259 1.00 0.67 C ATOM 246 CG1 VAL A 17 -3.416 -0.947 8.384 1.00 0.64 C ATOM 247 CG2 VAL A 17 -4.125 -3.277 8.918 1.00 0.64 C ATOM 0 H VAL A 17 -2.164 -3.134 7.121 1.00 0.54 H new ATOM 0 HA VAL A 17 -1.060 -1.743 9.312 1.00 0.66 H new ATOM 0 HB VAL A 17 -3.250 -1.918 10.311 1.00 0.67 H new ATOM 0 HG11 VAL A 17 -4.456 -0.646 8.514 1.00 0.64 H new ATOM 0 HG12 VAL A 17 -2.761 -0.127 8.678 1.00 0.64 H new ATOM 0 HG13 VAL A 17 -3.238 -1.196 7.338 1.00 0.64 H new ATOM 0 HG21 VAL A 17 -5.140 -2.901 9.048 1.00 0.64 H new ATOM 0 HG22 VAL A 17 -3.983 -3.589 7.883 1.00 0.64 H new ATOM 0 HG23 VAL A 17 -3.966 -4.129 9.579 1.00 0.64 H new ATOM 257 N THR A 18 -1.120 -4.955 9.775 1.00 0.86 N ATOM 258 CA THR A 18 -0.522 -5.961 10.651 1.00 1.04 C ATOM 259 C THR A 18 0.995 -5.754 10.718 1.00 0.97 C ATOM 260 O THR A 18 1.564 -5.733 11.814 1.00 1.00 O ATOM 261 CB THR A 18 -0.958 -7.394 10.266 1.00 1.21 C ATOM 262 OG1 THR A 18 -1.334 -8.096 11.435 1.00 1.62 O ATOM 263 CG2 THR A 18 0.101 -8.242 9.547 1.00 1.44 C ATOM 0 H THR A 18 -1.442 -5.318 8.878 1.00 0.86 H new ATOM 0 HA THR A 18 -0.899 -5.831 11.665 1.00 1.04 H new ATOM 0 HB THR A 18 -1.777 -7.252 9.561 1.00 1.21 H new ATOM 0 HG1 THR A 18 -1.613 -9.004 11.196 1.00 1.62 H new ATOM 0 HG21 THR A 18 -0.311 -9.226 9.324 1.00 1.44 H new ATOM 0 HG22 THR A 18 0.391 -7.751 8.618 1.00 1.44 H new ATOM 0 HG23 THR A 18 0.976 -8.351 10.188 1.00 1.44 H new ATOM 271 N THR A 19 1.648 -5.555 9.566 1.00 0.91 N ATOM 272 CA THR A 19 3.082 -5.287 9.485 1.00 0.91 C ATOM 273 C THR A 19 3.456 -4.130 10.415 1.00 0.82 C ATOM 274 O THR A 19 4.468 -4.191 11.108 1.00 0.97 O ATOM 275 CB THR A 19 3.500 -5.042 8.027 1.00 1.00 C ATOM 276 OG1 THR A 19 3.190 -6.181 7.256 1.00 1.51 O ATOM 277 CG2 THR A 19 5.002 -4.771 7.889 1.00 1.13 C ATOM 0 H THR A 19 1.187 -5.577 8.656 1.00 0.91 H new ATOM 0 HA THR A 19 3.637 -6.161 9.826 1.00 0.91 H new ATOM 0 HB THR A 19 2.957 -4.163 7.680 1.00 1.00 H new ATOM 0 HG1 THR A 19 2.240 -6.164 7.015 1.00 1.51 H new ATOM 0 HG21 THR A 19 5.247 -4.604 6.840 1.00 1.13 H new ATOM 0 HG22 THR A 19 5.267 -3.887 8.468 1.00 1.13 H new ATOM 0 HG23 THR A 19 5.562 -5.629 8.260 1.00 1.13 H new ATOM 285 N PHE A 20 2.608 -3.097 10.473 1.00 0.77 N ATOM 286 CA PHE A 20 2.786 -1.986 11.404 1.00 0.88 C ATOM 287 C PHE A 20 2.976 -2.462 12.846 1.00 0.92 C ATOM 288 O PHE A 20 3.773 -1.878 13.575 1.00 1.06 O ATOM 289 CB PHE A 20 1.595 -1.021 11.353 1.00 1.05 C ATOM 290 CG PHE A 20 1.630 0.020 10.256 1.00 0.97 C ATOM 291 CD1 PHE A 20 2.137 -0.286 8.978 1.00 1.78 C ATOM 292 CD2 PHE A 20 1.322 1.353 10.576 1.00 2.28 C ATOM 293 CE1 PHE A 20 2.423 0.744 8.073 1.00 1.71 C ATOM 294 CE2 PHE A 20 1.695 2.385 9.708 1.00 2.25 C ATOM 295 CZ PHE A 20 2.260 2.082 8.464 1.00 0.89 C ATOM 0 H PHE A 20 1.784 -3.011 9.878 1.00 0.77 H new ATOM 0 HA PHE A 20 3.691 -1.469 11.087 1.00 0.88 H new ATOM 0 HB2 PHE A 20 0.683 -1.607 11.241 1.00 1.05 H new ATOM 0 HB3 PHE A 20 1.528 -0.507 12.312 1.00 1.05 H new ATOM 0 HD1 PHE A 20 2.305 -1.315 8.696 1.00 1.78 H new ATOM 0 HD2 PHE A 20 0.797 1.581 11.492 1.00 2.28 H new ATOM 0 HE1 PHE A 20 2.768 0.509 7.077 1.00 1.71 H new ATOM 0 HE2 PHE A 20 1.547 3.415 9.998 1.00 2.25 H new ATOM 0 HZ PHE A 20 2.571 2.879 7.804 1.00 0.89 H new ATOM 305 N PHE A 21 2.219 -3.473 13.288 1.00 0.93 N ATOM 306 CA PHE A 21 2.360 -3.987 14.644 1.00 1.07 C ATOM 307 C PHE A 21 3.645 -4.766 14.782 1.00 1.19 C ATOM 308 O PHE A 21 4.409 -4.543 15.721 1.00 1.42 O ATOM 309 CB PHE A 21 1.125 -4.782 15.089 1.00 1.14 C ATOM 310 CG PHE A 21 1.122 -5.296 16.527 1.00 1.58 C ATOM 311 CD1 PHE A 21 1.902 -4.699 17.544 1.00 2.71 C ATOM 312 CD2 PHE A 21 0.346 -6.430 16.837 1.00 2.48 C ATOM 313 CE1 PHE A 21 1.927 -5.248 18.836 1.00 3.40 C ATOM 314 CE2 PHE A 21 0.377 -6.983 18.130 1.00 3.08 C ATOM 315 CZ PHE A 21 1.169 -6.394 19.130 1.00 3.17 C ATOM 0 H PHE A 21 1.509 -3.944 12.727 1.00 0.93 H new ATOM 0 HA PHE A 21 2.422 -3.140 15.327 1.00 1.07 H new ATOM 0 HB2 PHE A 21 0.247 -4.152 14.951 1.00 1.14 H new ATOM 0 HB3 PHE A 21 1.012 -5.637 14.422 1.00 1.14 H new ATOM 0 HD1 PHE A 21 2.482 -3.815 17.326 1.00 2.71 H new ATOM 0 HD2 PHE A 21 -0.277 -6.878 16.077 1.00 2.48 H new ATOM 0 HE1 PHE A 21 2.530 -4.789 19.605 1.00 3.40 H new ATOM 0 HE2 PHE A 21 -0.209 -7.862 18.355 1.00 3.08 H new ATOM 0 HZ PHE A 21 1.195 -6.821 20.122 1.00 3.17 H new ATOM 325 N THR A 22 3.919 -5.648 13.836 1.00 1.24 N ATOM 326 CA THR A 22 5.109 -6.452 13.957 1.00 1.60 C ATOM 327 C THR A 22 6.342 -5.712 13.423 1.00 2.03 C ATOM 328 O THR A 22 7.041 -6.200 12.541 1.00 2.50 O ATOM 329 CB THR A 22 4.842 -7.822 13.348 1.00 2.04 C ATOM 330 OG1 THR A 22 3.783 -8.445 14.051 1.00 2.26 O ATOM 331 CG2 THR A 22 4.501 -7.847 11.855 1.00 2.90 C ATOM 0 H THR A 22 3.352 -5.818 13.005 1.00 1.24 H new ATOM 0 HA THR A 22 5.357 -6.629 15.004 1.00 1.60 H new ATOM 0 HB THR A 22 5.791 -8.351 13.441 1.00 2.04 H new ATOM 0 HG1 THR A 22 3.606 -9.327 13.662 1.00 2.26 H new ATOM 0 HG21 THR A 22 4.332 -8.876 11.538 1.00 2.90 H new ATOM 0 HG22 THR A 22 3.600 -7.260 11.678 1.00 2.90 H new ATOM 0 HG23 THR A 22 5.328 -7.423 11.286 1.00 2.90 H new ATOM 478 N ASP A 31 2.391 3.754 15.829 1.00 1.44 N ATOM 479 CA ASP A 31 1.869 3.556 14.480 1.00 1.51 C ATOM 480 C ASP A 31 2.935 2.940 13.566 1.00 1.69 C ATOM 481 O ASP A 31 2.796 1.780 13.185 1.00 2.15 O ATOM 482 CB ASP A 31 1.199 4.812 13.895 1.00 1.56 C ATOM 483 CG ASP A 31 0.218 4.436 12.791 1.00 2.18 C ATOM 484 OD1 ASP A 31 -0.778 3.755 13.131 1.00 3.13 O ATOM 485 OD2 ASP A 31 0.451 4.802 11.620 1.00 2.96 O ATOM 0 HA ASP A 31 1.057 2.832 14.549 1.00 1.51 H new ATOM 0 HB2 ASP A 31 0.676 5.352 14.684 1.00 1.56 H new ATOM 0 HB3 ASP A 31 1.960 5.485 13.499 1.00 1.56 H new ATOM 490 N SER A 32 4.009 3.677 13.263 1.00 1.59 N ATOM 491 CA SER A 32 5.192 3.181 12.569 1.00 1.68 C ATOM 492 C SER A 32 6.470 3.699 13.256 1.00 1.59 C ATOM 493 O SER A 32 6.470 3.942 14.461 1.00 1.59 O ATOM 494 CB SER A 32 5.124 3.590 11.093 1.00 1.80 C ATOM 495 OG SER A 32 6.053 2.820 10.353 1.00 2.52 O ATOM 0 H SER A 32 4.076 4.666 13.504 1.00 1.59 H new ATOM 0 HA SER A 32 5.222 2.092 12.616 1.00 1.68 H new ATOM 0 HB2 SER A 32 4.116 3.436 10.707 1.00 1.80 H new ATOM 0 HB3 SER A 32 5.347 4.652 10.987 1.00 1.80 H new ATOM 0 HG SER A 32 5.607 2.430 9.573 1.00 2.52 H new ATOM 501 N LEU A 33 7.559 3.838 12.492 1.00 1.61 N ATOM 502 CA LEU A 33 8.843 4.378 12.944 1.00 1.44 C ATOM 503 C LEU A 33 8.882 5.888 12.655 1.00 1.27 C ATOM 504 O LEU A 33 7.831 6.501 12.464 1.00 1.51 O ATOM 505 CB LEU A 33 10.011 3.649 12.247 1.00 1.48 C ATOM 506 CG LEU A 33 10.039 2.112 12.331 1.00 1.59 C ATOM 507 CD1 LEU A 33 9.816 1.593 13.755 1.00 1.86 C ATOM 508 CD2 LEU A 33 9.073 1.444 11.348 1.00 1.59 C ATOM 0 H LEU A 33 7.569 3.568 11.508 1.00 1.61 H new ATOM 0 HA LEU A 33 8.950 4.219 14.017 1.00 1.44 H new ATOM 0 HB2 LEU A 33 10.002 3.928 11.193 1.00 1.48 H new ATOM 0 HB3 LEU A 33 10.943 4.026 12.668 1.00 1.48 H new ATOM 0 HG LEU A 33 11.049 1.828 12.035 1.00 1.59 H new ATOM 0 HD11 LEU A 33 9.846 0.503 13.754 1.00 1.86 H new ATOM 0 HD12 LEU A 33 10.599 1.977 14.409 1.00 1.86 H new ATOM 0 HD13 LEU A 33 8.844 1.929 14.117 1.00 1.86 H new ATOM 0 HD21 LEU A 33 9.137 0.361 11.454 1.00 1.59 H new ATOM 0 HD22 LEU A 33 8.055 1.769 11.561 1.00 1.59 H new ATOM 0 HD23 LEU A 33 9.338 1.725 10.329 1.00 1.59 H new ATOM 520 N SER A 34 10.071 6.493 12.565 1.00 0.94 N ATOM 521 CA SER A 34 10.257 7.762 11.878 1.00 0.83 C ATOM 522 C SER A 34 10.678 7.511 10.431 1.00 0.89 C ATOM 523 O SER A 34 10.922 6.379 9.996 1.00 0.96 O ATOM 524 CB SER A 34 11.168 8.721 12.665 1.00 0.86 C ATOM 525 OG SER A 34 10.432 9.328 13.706 1.00 1.91 O ATOM 0 H SER A 34 10.927 6.112 12.968 1.00 0.94 H new ATOM 0 HA SER A 34 9.306 8.293 11.831 1.00 0.83 H new ATOM 0 HB2 SER A 34 12.017 8.176 13.077 1.00 0.86 H new ATOM 0 HB3 SER A 34 11.572 9.484 11.999 1.00 0.86 H new ATOM 0 HG SER A 34 11.014 9.937 14.207 1.00 1.91 H new ATOM 531 N VAL A 35 10.598 8.573 9.631 1.00 0.95 N ATOM 532 CA VAL A 35 10.443 8.428 8.199 1.00 1.11 C ATOM 533 C VAL A 35 11.794 8.068 7.559 1.00 0.90 C ATOM 534 O VAL A 35 11.851 7.319 6.583 1.00 0.78 O ATOM 535 CB VAL A 35 9.809 9.710 7.643 1.00 1.45 C ATOM 536 CG1 VAL A 35 9.381 9.556 6.186 1.00 1.73 C ATOM 537 CG2 VAL A 35 8.560 10.180 8.413 1.00 1.70 C ATOM 0 H VAL A 35 10.639 9.539 9.957 1.00 0.95 H new ATOM 0 HA VAL A 35 9.772 7.605 7.952 1.00 1.11 H new ATOM 0 HB VAL A 35 10.603 10.449 7.751 1.00 1.45 H new ATOM 0 HG11 VAL A 35 8.938 10.489 5.836 1.00 1.73 H new ATOM 0 HG12 VAL A 35 10.251 9.316 5.575 1.00 1.73 H new ATOM 0 HG13 VAL A 35 8.648 8.753 6.105 1.00 1.73 H new ATOM 0 HG21 VAL A 35 8.173 11.091 7.957 1.00 1.70 H new ATOM 0 HG22 VAL A 35 7.796 9.403 8.376 1.00 1.70 H new ATOM 0 HG23 VAL A 35 8.826 10.379 9.451 1.00 1.70 H new ATOM 547 N ASN A 36 12.902 8.577 8.109 1.00 0.94 N ATOM 548 CA ASN A 36 14.224 8.282 7.570 1.00 0.85 C ATOM 549 C ASN A 36 14.536 6.805 7.777 1.00 0.76 C ATOM 550 O ASN A 36 14.867 6.109 6.821 1.00 0.73 O ATOM 551 CB ASN A 36 15.322 9.164 8.185 1.00 1.02 C ATOM 552 CG ASN A 36 16.370 9.536 7.133 1.00 1.89 C ATOM 553 OD1 ASN A 36 17.077 8.670 6.619 1.00 2.63 O ATOM 554 ND2 ASN A 36 16.476 10.809 6.754 1.00 2.24 N ATOM 0 H ASN A 36 12.905 9.192 8.923 1.00 0.94 H new ATOM 0 HA ASN A 36 14.209 8.509 6.504 1.00 0.85 H new ATOM 0 HB2 ASN A 36 14.878 10.069 8.600 1.00 1.02 H new ATOM 0 HB3 ASN A 36 15.800 8.636 9.010 1.00 1.02 H new ATOM 0 HD21 ASN A 36 17.147 11.072 6.032 1.00 2.24 H new ATOM 0 HD22 ASN A 36 15.886 11.520 7.185 1.00 2.24 H new ATOM 561 N GLU A 37 14.402 6.310 9.012 1.00 0.86 N ATOM 562 CA GLU A 37 14.682 4.909 9.298 1.00 1.05 C ATOM 563 C GLU A 37 13.756 4.043 8.459 1.00 0.92 C ATOM 564 O GLU A 37 14.219 3.090 7.845 1.00 0.94 O ATOM 565 CB GLU A 37 14.575 4.527 10.784 1.00 1.60 C ATOM 566 CG GLU A 37 14.846 5.675 11.754 1.00 2.09 C ATOM 567 CD GLU A 37 13.578 6.483 11.925 1.00 2.98 C ATOM 568 OE1 GLU A 37 12.689 5.985 12.649 1.00 3.06 O ATOM 569 OE2 GLU A 37 13.485 7.535 11.250 1.00 4.83 O ATOM 0 H GLU A 37 14.104 6.857 9.819 1.00 0.86 H new ATOM 0 HA GLU A 37 15.726 4.737 9.037 1.00 1.05 H new ATOM 0 HB2 GLU A 37 13.576 4.135 10.974 1.00 1.60 H new ATOM 0 HB3 GLU A 37 15.278 3.720 10.990 1.00 1.60 H new ATOM 0 HG2 GLU A 37 15.177 5.285 12.717 1.00 2.09 H new ATOM 0 HG3 GLU A 37 15.648 6.308 11.374 1.00 2.09 H new ATOM 576 N PHE A 38 12.465 4.395 8.389 1.00 0.89 N ATOM 577 CA PHE A 38 11.541 3.762 7.455 1.00 0.85 C ATOM 578 C PHE A 38 12.167 3.621 6.060 1.00 0.72 C ATOM 579 O PHE A 38 12.170 2.518 5.516 1.00 0.73 O ATOM 580 CB PHE A 38 10.208 4.516 7.420 1.00 0.93 C ATOM 581 CG PHE A 38 9.414 4.333 6.138 1.00 0.87 C ATOM 582 CD1 PHE A 38 8.630 3.182 5.943 1.00 1.97 C ATOM 583 CD2 PHE A 38 9.623 5.222 5.067 1.00 1.46 C ATOM 584 CE1 PHE A 38 8.013 2.959 4.699 1.00 1.94 C ATOM 585 CE2 PHE A 38 9.108 4.928 3.796 1.00 1.59 C ATOM 586 CZ PHE A 38 8.256 3.828 3.624 1.00 1.04 C ATOM 0 H PHE A 38 12.042 5.117 8.972 1.00 0.89 H new ATOM 0 HA PHE A 38 11.334 2.752 7.807 1.00 0.85 H new ATOM 0 HB2 PHE A 38 9.597 4.187 8.261 1.00 0.93 H new ATOM 0 HB3 PHE A 38 10.402 5.579 7.563 1.00 0.93 H new ATOM 0 HD1 PHE A 38 8.502 2.471 6.746 1.00 1.97 H new ATOM 0 HD2 PHE A 38 10.181 6.133 5.224 1.00 1.46 H new ATOM 0 HE1 PHE A 38 7.350 2.116 4.570 1.00 1.94 H new ATOM 0 HE2 PHE A 38 9.367 5.548 2.951 1.00 1.59 H new ATOM 0 HZ PHE A 38 7.788 3.650 2.667 1.00 1.04 H new ATOM 596 N LYS A 39 12.717 4.704 5.490 1.00 0.67 N ATOM 597 CA LYS A 39 13.365 4.629 4.182 1.00 0.65 C ATOM 598 C LYS A 39 14.449 3.534 4.161 1.00 0.66 C ATOM 599 O LYS A 39 14.547 2.774 3.196 1.00 0.68 O ATOM 600 CB LYS A 39 13.770 6.023 3.637 1.00 0.84 C ATOM 601 CG LYS A 39 15.182 6.189 3.045 1.00 0.95 C ATOM 602 CD LYS A 39 16.165 6.574 4.158 1.00 2.05 C ATOM 603 CE LYS A 39 17.593 6.879 3.690 1.00 2.71 C ATOM 604 NZ LYS A 39 18.479 7.188 4.837 1.00 3.85 N ATOM 0 H LYS A 39 12.724 5.632 5.914 1.00 0.67 H new ATOM 0 HA LYS A 39 12.637 4.294 3.443 1.00 0.65 H new ATOM 0 HB2 LYS A 39 13.051 6.301 2.867 1.00 0.84 H new ATOM 0 HB3 LYS A 39 13.662 6.742 4.449 1.00 0.84 H new ATOM 0 HG2 LYS A 39 15.500 5.261 2.571 1.00 0.95 H new ATOM 0 HG3 LYS A 39 15.175 6.956 2.271 1.00 0.95 H new ATOM 0 HD2 LYS A 39 15.775 7.449 4.678 1.00 2.05 H new ATOM 0 HD3 LYS A 39 16.203 5.762 4.884 1.00 2.05 H new ATOM 0 HE2 LYS A 39 17.989 6.024 3.141 1.00 2.71 H new ATOM 0 HE3 LYS A 39 17.580 7.723 3.000 1.00 2.71 H new ATOM 0 HZ1 LYS A 39 19.192 7.887 4.546 1.00 3.85 H new ATOM 0 HZ2 LYS A 39 17.913 7.576 5.618 1.00 3.85 H new ATOM 0 HZ3 LYS A 39 18.955 6.319 5.152 1.00 3.85 H new ATOM 618 N GLU A 40 15.243 3.418 5.229 1.00 0.76 N ATOM 619 CA GLU A 40 16.278 2.395 5.317 1.00 0.89 C ATOM 620 C GLU A 40 15.670 0.998 5.465 1.00 0.97 C ATOM 621 O GLU A 40 16.116 0.055 4.817 1.00 1.12 O ATOM 622 CB GLU A 40 17.294 2.721 6.419 1.00 1.08 C ATOM 623 CG GLU A 40 17.812 4.148 6.201 1.00 1.01 C ATOM 624 CD GLU A 40 19.166 4.442 6.817 1.00 1.52 C ATOM 625 OE1 GLU A 40 19.631 3.648 7.657 1.00 2.41 O ATOM 626 OE2 GLU A 40 19.694 5.498 6.397 1.00 1.95 O ATOM 0 H GLU A 40 15.185 4.025 6.046 1.00 0.76 H new ATOM 0 HA GLU A 40 16.831 2.393 4.378 1.00 0.89 H new ATOM 0 HB2 GLU A 40 16.828 2.634 7.401 1.00 1.08 H new ATOM 0 HB3 GLU A 40 18.120 2.011 6.394 1.00 1.08 H new ATOM 0 HG2 GLU A 40 17.869 4.337 5.129 1.00 1.01 H new ATOM 0 HG3 GLU A 40 17.084 4.849 6.610 1.00 1.01 H new ATOM 633 N LEU A 41 14.629 0.852 6.285 1.00 0.94 N ATOM 634 CA LEU A 41 13.913 -0.406 6.408 1.00 1.02 C ATOM 635 C LEU A 41 13.431 -0.841 5.025 1.00 0.95 C ATOM 636 O LEU A 41 13.775 -1.926 4.571 1.00 1.08 O ATOM 637 CB LEU A 41 12.750 -0.302 7.408 1.00 1.14 C ATOM 638 CG LEU A 41 13.145 -0.683 8.845 1.00 1.30 C ATOM 639 CD1 LEU A 41 14.145 0.295 9.471 1.00 2.19 C ATOM 640 CD2 LEU A 41 11.885 -0.730 9.716 1.00 2.31 C ATOM 0 H LEU A 41 14.265 1.599 6.876 1.00 0.94 H new ATOM 0 HA LEU A 41 14.589 -1.164 6.804 1.00 1.02 H new ATOM 0 HB2 LEU A 41 12.366 0.718 7.403 1.00 1.14 H new ATOM 0 HB3 LEU A 41 11.938 -0.950 7.078 1.00 1.14 H new ATOM 0 HG LEU A 41 13.631 -1.657 8.796 1.00 1.30 H new ATOM 0 HD11 LEU A 41 14.384 -0.028 10.484 1.00 2.19 H new ATOM 0 HD12 LEU A 41 15.056 0.317 8.873 1.00 2.19 H new ATOM 0 HD13 LEU A 41 13.707 1.293 9.502 1.00 2.19 H new ATOM 0 HD21 LEU A 41 12.158 -1.000 10.736 1.00 2.31 H new ATOM 0 HD22 LEU A 41 11.405 0.249 9.715 1.00 2.31 H new ATOM 0 HD23 LEU A 41 11.194 -1.473 9.317 1.00 2.31 H new ATOM 652 N VAL A 42 12.675 -0.007 4.307 1.00 0.80 N ATOM 653 CA VAL A 42 12.159 -0.438 3.013 1.00 0.78 C ATOM 654 C VAL A 42 13.315 -0.764 2.059 1.00 0.79 C ATOM 655 O VAL A 42 13.318 -1.832 1.453 1.00 0.91 O ATOM 656 CB VAL A 42 11.124 0.530 2.418 1.00 0.70 C ATOM 657 CG1 VAL A 42 9.905 0.625 3.335 1.00 1.48 C ATOM 658 CG2 VAL A 42 11.672 1.930 2.135 1.00 1.24 C ATOM 0 H VAL A 42 12.415 0.938 4.589 1.00 0.80 H new ATOM 0 HA VAL A 42 11.598 -1.359 3.170 1.00 0.78 H new ATOM 0 HB VAL A 42 10.842 0.111 1.452 1.00 0.70 H new ATOM 0 HG11 VAL A 42 9.178 1.313 2.904 1.00 1.48 H new ATOM 0 HG12 VAL A 42 9.452 -0.361 3.442 1.00 1.48 H new ATOM 0 HG13 VAL A 42 10.214 0.990 4.314 1.00 1.48 H new ATOM 0 HG21 VAL A 42 10.881 2.553 1.717 1.00 1.24 H new ATOM 0 HG22 VAL A 42 12.031 2.375 3.063 1.00 1.24 H new ATOM 0 HG23 VAL A 42 12.495 1.862 1.423 1.00 1.24 H new ATOM 668 N THR A 43 14.326 0.107 1.950 1.00 0.75 N ATOM 669 CA THR A 43 15.435 -0.160 1.037 1.00 0.90 C ATOM 670 C THR A 43 16.092 -1.510 1.366 1.00 1.07 C ATOM 671 O THR A 43 16.401 -2.292 0.469 1.00 1.25 O ATOM 672 CB THR A 43 16.421 1.028 0.987 1.00 0.91 C ATOM 673 OG1 THR A 43 16.918 1.192 -0.319 1.00 1.40 O ATOM 674 CG2 THR A 43 17.630 0.905 1.917 1.00 1.01 C ATOM 0 H THR A 43 14.396 0.981 2.471 1.00 0.75 H new ATOM 0 HA THR A 43 15.049 -0.253 0.022 1.00 0.90 H new ATOM 0 HB THR A 43 15.833 1.882 1.323 1.00 0.91 H new ATOM 0 HG1 THR A 43 17.541 1.949 -0.340 1.00 1.40 H new ATOM 0 HG21 THR A 43 18.262 1.786 1.810 1.00 1.01 H new ATOM 0 HG22 THR A 43 17.289 0.826 2.949 1.00 1.01 H new ATOM 0 HG23 THR A 43 18.201 0.014 1.655 1.00 1.01 H new ATOM 682 N GLN A 44 16.281 -1.797 2.658 1.00 1.09 N ATOM 683 CA GLN A 44 16.854 -3.046 3.132 1.00 1.27 C ATOM 684 C GLN A 44 15.937 -4.231 2.807 1.00 1.33 C ATOM 685 O GLN A 44 16.404 -5.276 2.362 1.00 1.45 O ATOM 686 CB GLN A 44 17.093 -2.916 4.640 1.00 1.30 C ATOM 687 CG GLN A 44 17.863 -4.102 5.218 1.00 1.77 C ATOM 688 CD GLN A 44 17.787 -4.083 6.739 1.00 1.97 C ATOM 689 OE1 GLN A 44 16.949 -4.761 7.327 1.00 2.88 O ATOM 690 NE2 GLN A 44 18.636 -3.293 7.389 1.00 2.50 N ATOM 0 H GLN A 44 16.034 -1.153 3.410 1.00 1.09 H new ATOM 0 HA GLN A 44 17.800 -3.240 2.627 1.00 1.27 H new ATOM 0 HB2 GLN A 44 17.645 -1.998 4.839 1.00 1.30 H new ATOM 0 HB3 GLN A 44 16.134 -2.827 5.150 1.00 1.30 H new ATOM 0 HG2 GLN A 44 17.449 -5.035 4.837 1.00 1.77 H new ATOM 0 HG3 GLN A 44 18.904 -4.061 4.897 1.00 1.77 H new ATOM 0 HE21 GLN A 44 19.320 -2.743 6.870 1.00 2.50 H new ATOM 0 HE22 GLN A 44 18.603 -3.237 8.407 1.00 2.50 H new ATOM 699 N GLN A 45 14.638 -4.077 3.068 1.00 1.26 N ATOM 700 CA GLN A 45 13.618 -5.102 2.897 1.00 1.26 C ATOM 701 C GLN A 45 13.390 -5.416 1.412 1.00 1.23 C ATOM 702 O GLN A 45 12.977 -6.532 1.103 1.00 1.34 O ATOM 703 CB GLN A 45 12.313 -4.651 3.577 1.00 1.16 C ATOM 704 CG GLN A 45 12.209 -4.835 5.109 1.00 1.27 C ATOM 705 CD GLN A 45 13.387 -4.418 5.990 1.00 1.48 C ATOM 706 OE1 GLN A 45 13.265 -3.501 6.798 1.00 1.81 O ATOM 707 NE2 GLN A 45 14.498 -5.149 5.935 1.00 2.57 N ATOM 0 H GLN A 45 14.257 -3.198 3.418 1.00 1.26 H new ATOM 0 HA GLN A 45 13.961 -6.022 3.371 1.00 1.26 H new ATOM 0 HB2 GLN A 45 12.164 -3.595 3.354 1.00 1.16 H new ATOM 0 HB3 GLN A 45 11.488 -5.193 3.116 1.00 1.16 H new ATOM 0 HG2 GLN A 45 11.333 -4.281 5.448 1.00 1.27 H new ATOM 0 HG3 GLN A 45 12.013 -5.890 5.301 1.00 1.27 H new ATOM 0 HE21 GLN A 45 14.577 -5.906 5.256 1.00 2.57 H new ATOM 0 HE22 GLN A 45 15.270 -4.952 6.572 1.00 2.57 H new ATOM 716 N LEU A 46 13.653 -4.466 0.503 1.00 1.18 N ATOM 717 CA LEU A 46 13.481 -4.630 -0.942 1.00 1.20 C ATOM 718 C LEU A 46 14.821 -4.737 -1.703 1.00 1.41 C ATOM 719 O LEU A 46 15.109 -3.897 -2.558 1.00 1.65 O ATOM 720 CB LEU A 46 12.652 -3.451 -1.492 1.00 1.12 C ATOM 721 CG LEU A 46 11.166 -3.493 -1.106 1.00 1.09 C ATOM 722 CD1 LEU A 46 10.809 -2.823 0.221 1.00 1.16 C ATOM 723 CD2 LEU A 46 10.327 -2.893 -2.238 1.00 1.57 C ATOM 0 H LEU A 46 13.999 -3.542 0.761 1.00 1.18 H new ATOM 0 HA LEU A 46 12.958 -5.573 -1.103 1.00 1.20 H new ATOM 0 HB2 LEU A 46 13.084 -2.518 -1.130 1.00 1.12 H new ATOM 0 HB3 LEU A 46 12.733 -3.440 -2.579 1.00 1.12 H new ATOM 0 HG LEU A 46 10.937 -4.548 -0.955 1.00 1.09 H new ATOM 0 HD11 LEU A 46 9.737 -2.910 0.396 1.00 1.16 H new ATOM 0 HD12 LEU A 46 11.350 -3.311 1.032 1.00 1.16 H new ATOM 0 HD13 LEU A 46 11.086 -1.769 0.183 1.00 1.16 H new ATOM 0 HD21 LEU A 46 9.272 -2.923 -1.964 1.00 1.57 H new ATOM 0 HD22 LEU A 46 10.629 -1.859 -2.406 1.00 1.57 H new ATOM 0 HD23 LEU A 46 10.481 -3.469 -3.150 1.00 1.57 H new ATOM 735 N PRO A 47 15.643 -5.785 -1.511 1.00 1.44 N ATOM 736 CA PRO A 47 16.932 -5.902 -2.186 1.00 1.63 C ATOM 737 C PRO A 47 16.777 -6.459 -3.614 1.00 1.56 C ATOM 738 O PRO A 47 17.527 -7.346 -4.024 1.00 1.55 O ATOM 739 CB PRO A 47 17.734 -6.844 -1.281 1.00 1.79 C ATOM 740 CG PRO A 47 16.657 -7.821 -0.812 1.00 1.65 C ATOM 741 CD PRO A 47 15.455 -6.902 -0.601 1.00 1.45 C ATOM 0 HA PRO A 47 17.426 -4.940 -2.321 1.00 1.63 H new ATOM 0 HB2 PRO A 47 18.535 -7.348 -1.823 1.00 1.79 H new ATOM 0 HB3 PRO A 47 18.197 -6.315 -0.448 1.00 1.79 H new ATOM 0 HG2 PRO A 47 16.455 -8.591 -1.556 1.00 1.65 H new ATOM 0 HG3 PRO A 47 16.944 -8.333 0.107 1.00 1.65 H new ATOM 0 HD2 PRO A 47 14.522 -7.425 -0.812 1.00 1.45 H new ATOM 0 HD3 PRO A 47 15.402 -6.559 0.432 1.00 1.45 H new ATOM 749 N HIS A 48 15.803 -5.960 -4.382 1.00 1.69 N ATOM 750 CA HIS A 48 15.482 -6.494 -5.703 1.00 1.64 C ATOM 751 C HIS A 48 16.452 -5.963 -6.766 1.00 1.84 C ATOM 752 O HIS A 48 16.788 -6.684 -7.708 1.00 3.00 O ATOM 753 CB HIS A 48 14.012 -6.195 -6.036 1.00 1.71 C ATOM 754 CG HIS A 48 13.495 -6.829 -7.313 1.00 2.51 C ATOM 755 ND1 HIS A 48 12.484 -7.759 -7.392 1.00 3.36 N ATOM 756 CD2 HIS A 48 13.869 -6.532 -8.599 1.00 3.41 C ATOM 757 CE1 HIS A 48 12.268 -8.009 -8.697 1.00 4.24 C ATOM 758 NE2 HIS A 48 13.104 -7.306 -9.478 1.00 4.23 N ATOM 0 H HIS A 48 15.216 -5.174 -4.102 1.00 1.69 H new ATOM 0 HA HIS A 48 15.607 -7.577 -5.697 1.00 1.64 H new ATOM 0 HB2 HIS A 48 13.392 -6.533 -5.205 1.00 1.71 H new ATOM 0 HB3 HIS A 48 13.886 -5.115 -6.109 1.00 1.71 H new ATOM 0 HD1 HIS A 48 11.989 -8.181 -6.606 1.00 3.36 H new ATOM 0 HD2 HIS A 48 14.628 -5.819 -8.885 1.00 3.41 H new ATOM 0 HE1 HIS A 48 11.517 -8.690 -9.069 1.00 4.24 H new ATOM 766 N LEU A 49 16.867 -4.694 -6.643 1.00 1.43 N ATOM 767 CA LEU A 49 17.817 -4.063 -7.561 1.00 1.48 C ATOM 768 C LEU A 49 18.359 -2.748 -6.993 1.00 1.47 C ATOM 769 O LEU A 49 19.545 -2.470 -7.131 1.00 1.72 O ATOM 770 CB LEU A 49 17.183 -3.817 -8.946 1.00 1.58 C ATOM 771 CG LEU A 49 18.095 -4.243 -10.110 1.00 1.87 C ATOM 772 CD1 LEU A 49 17.347 -4.050 -11.434 1.00 3.01 C ATOM 773 CD2 LEU A 49 19.411 -3.458 -10.151 1.00 2.94 C ATOM 0 H LEU A 49 16.549 -4.075 -5.897 1.00 1.43 H new ATOM 0 HA LEU A 49 18.650 -4.756 -7.679 1.00 1.48 H new ATOM 0 HB2 LEU A 49 16.242 -4.363 -9.011 1.00 1.58 H new ATOM 0 HB3 LEU A 49 16.945 -2.758 -9.047 1.00 1.58 H new ATOM 0 HG LEU A 49 18.350 -5.292 -9.956 1.00 1.87 H new ATOM 0 HD11 LEU A 49 17.989 -4.351 -12.262 1.00 3.01 H new ATOM 0 HD12 LEU A 49 16.444 -4.661 -11.434 1.00 3.01 H new ATOM 0 HD13 LEU A 49 17.075 -3.001 -11.548 1.00 3.01 H new ATOM 0 HD21 LEU A 49 20.013 -3.801 -10.992 1.00 2.94 H new ATOM 0 HD22 LEU A 49 19.197 -2.395 -10.267 1.00 2.94 H new ATOM 0 HD23 LEU A 49 19.959 -3.618 -9.223 1.00 2.94 H new ATOM 785 N LEU A 50 17.487 -1.937 -6.380 1.00 1.39 N ATOM 786 CA LEU A 50 17.809 -0.593 -5.901 1.00 1.59 C ATOM 787 C LEU A 50 18.226 0.283 -7.090 1.00 1.50 C ATOM 788 O LEU A 50 19.294 0.889 -7.103 1.00 1.78 O ATOM 789 CB LEU A 50 18.861 -0.648 -4.783 1.00 2.15 C ATOM 790 CG LEU A 50 18.456 -1.631 -3.666 1.00 2.45 C ATOM 791 CD1 LEU A 50 19.495 -2.745 -3.519 1.00 4.54 C ATOM 792 CD2 LEU A 50 18.279 -0.880 -2.350 1.00 3.26 C ATOM 0 H LEU A 50 16.519 -2.205 -6.201 1.00 1.39 H new ATOM 0 HA LEU A 50 16.928 -0.134 -5.453 1.00 1.59 H new ATOM 0 HB2 LEU A 50 19.821 -0.949 -5.202 1.00 2.15 H new ATOM 0 HB3 LEU A 50 18.995 0.348 -4.360 1.00 2.15 H new ATOM 0 HG LEU A 50 17.506 -2.093 -3.936 1.00 2.45 H new ATOM 0 HD11 LEU A 50 19.188 -3.426 -2.725 1.00 4.54 H new ATOM 0 HD12 LEU A 50 19.575 -3.294 -4.457 1.00 4.54 H new ATOM 0 HD13 LEU A 50 20.463 -2.310 -3.269 1.00 4.54 H new ATOM 0 HD21 LEU A 50 17.993 -1.582 -1.566 1.00 3.26 H new ATOM 0 HD22 LEU A 50 19.217 -0.395 -2.079 1.00 3.26 H new ATOM 0 HD23 LEU A 50 17.500 -0.126 -2.463 1.00 3.26 H new ATOM 804 N LYS A 51 17.382 0.269 -8.124 1.00 1.24 N ATOM 805 CA LYS A 51 17.562 1.007 -9.369 1.00 1.26 C ATOM 806 C LYS A 51 17.047 2.440 -9.232 1.00 1.19 C ATOM 807 O LYS A 51 17.741 3.411 -9.512 1.00 1.22 O ATOM 808 CB LYS A 51 16.929 0.216 -10.524 1.00 1.18 C ATOM 809 CG LYS A 51 15.450 -0.212 -10.378 1.00 1.03 C ATOM 810 CD LYS A 51 14.394 0.734 -10.965 1.00 1.37 C ATOM 811 CE LYS A 51 14.703 1.385 -12.315 1.00 1.45 C ATOM 812 NZ LYS A 51 15.151 0.407 -13.328 1.00 2.17 N ATOM 0 H LYS A 51 16.522 -0.279 -8.113 1.00 1.24 H new ATOM 0 HA LYS A 51 18.622 1.109 -9.602 1.00 1.26 H new ATOM 0 HB2 LYS A 51 17.016 0.817 -11.429 1.00 1.18 H new ATOM 0 HB3 LYS A 51 17.524 -0.684 -10.680 1.00 1.18 H new ATOM 0 HG2 LYS A 51 15.331 -1.188 -10.849 1.00 1.03 H new ATOM 0 HG3 LYS A 51 15.237 -0.342 -9.317 1.00 1.03 H new ATOM 0 HD2 LYS A 51 13.462 0.178 -11.065 1.00 1.37 H new ATOM 0 HD3 LYS A 51 14.215 1.529 -10.241 1.00 1.37 H new ATOM 0 HE2 LYS A 51 13.813 1.898 -12.679 1.00 1.45 H new ATOM 0 HE3 LYS A 51 15.475 2.143 -12.181 1.00 1.45 H new ATOM 0 HZ1 LYS A 51 14.742 0.652 -14.252 1.00 2.17 H new ATOM 0 HZ2 LYS A 51 16.189 0.425 -13.393 1.00 2.17 H new ATOM 0 HZ3 LYS A 51 14.838 -0.546 -13.053 1.00 2.17 H new ATOM 826 N ASP A 52 15.784 2.502 -8.819 1.00 1.20 N ATOM 827 CA ASP A 52 15.136 3.502 -8.002 1.00 1.08 C ATOM 828 C ASP A 52 15.494 4.944 -8.348 1.00 0.87 C ATOM 829 O ASP A 52 16.459 5.500 -7.833 1.00 1.14 O ATOM 830 CB ASP A 52 15.330 3.134 -6.523 1.00 1.51 C ATOM 831 CG ASP A 52 14.899 1.703 -6.176 1.00 2.08 C ATOM 832 OD1 ASP A 52 14.997 0.819 -7.067 1.00 3.27 O ATOM 833 OD2 ASP A 52 14.500 1.497 -5.014 1.00 2.27 O ATOM 0 H ASP A 52 15.126 1.769 -9.082 1.00 1.20 H new ATOM 0 HA ASP A 52 14.070 3.484 -8.226 1.00 1.08 H new ATOM 0 HB2 ASP A 52 16.381 3.260 -6.262 1.00 1.51 H new ATOM 0 HB3 ASP A 52 14.763 3.833 -5.908 1.00 1.51 H new ATOM 838 N VAL A 53 14.689 5.547 -9.230 1.00 0.87 N ATOM 839 CA VAL A 53 14.906 6.882 -9.762 1.00 1.02 C ATOM 840 C VAL A 53 13.588 7.664 -9.792 1.00 0.97 C ATOM 841 O VAL A 53 12.504 7.090 -9.660 1.00 1.44 O ATOM 842 CB VAL A 53 15.595 6.754 -11.136 1.00 1.62 C ATOM 843 CG1 VAL A 53 14.711 6.040 -12.169 1.00 2.05 C ATOM 844 CG2 VAL A 53 16.072 8.097 -11.702 1.00 2.54 C ATOM 0 H VAL A 53 13.849 5.102 -9.598 1.00 0.87 H new ATOM 0 HA VAL A 53 15.569 7.462 -9.120 1.00 1.02 H new ATOM 0 HB VAL A 53 16.477 6.142 -10.949 1.00 1.62 H new ATOM 0 HG11 VAL A 53 15.241 5.975 -13.119 1.00 2.05 H new ATOM 0 HG12 VAL A 53 14.476 5.036 -11.815 1.00 2.05 H new ATOM 0 HG13 VAL A 53 13.787 6.601 -12.307 1.00 2.05 H new ATOM 0 HG21 VAL A 53 16.547 7.936 -12.670 1.00 2.54 H new ATOM 0 HG22 VAL A 53 15.219 8.764 -11.824 1.00 2.54 H new ATOM 0 HG23 VAL A 53 16.789 8.547 -11.016 1.00 2.54 H new ATOM 854 N GLY A 54 13.676 8.987 -9.947 1.00 1.05 N ATOM 855 CA GLY A 54 12.528 9.864 -10.107 1.00 1.19 C ATOM 856 C GLY A 54 11.779 10.027 -8.789 1.00 1.08 C ATOM 857 O GLY A 54 12.014 10.985 -8.054 1.00 1.16 O ATOM 0 H GLY A 54 14.568 9.482 -9.964 1.00 1.05 H new ATOM 0 HA2 GLY A 54 12.858 10.839 -10.465 1.00 1.19 H new ATOM 0 HA3 GLY A 54 11.857 9.457 -10.863 1.00 1.19 H new ATOM 861 N SER A 55 10.906 9.072 -8.458 1.00 1.01 N ATOM 862 CA SER A 55 10.205 9.132 -7.180 1.00 1.00 C ATOM 863 C SER A 55 11.164 8.888 -6.019 1.00 0.83 C ATOM 864 O SER A 55 10.891 9.319 -4.902 1.00 0.83 O ATOM 865 CB SER A 55 8.971 8.234 -7.141 1.00 1.17 C ATOM 866 OG SER A 55 7.927 8.877 -7.853 1.00 1.65 O ATOM 0 H SER A 55 10.674 8.269 -9.042 1.00 1.01 H new ATOM 0 HA SER A 55 9.819 10.145 -7.065 1.00 1.00 H new ATOM 0 HB2 SER A 55 9.193 7.265 -7.587 1.00 1.17 H new ATOM 0 HB3 SER A 55 8.669 8.049 -6.110 1.00 1.17 H new ATOM 0 HG SER A 55 7.765 9.763 -7.467 1.00 1.65 H new ATOM 872 N LEU A 56 12.325 8.286 -6.306 1.00 0.77 N ATOM 873 CA LEU A 56 13.478 8.336 -5.424 1.00 0.75 C ATOM 874 C LEU A 56 13.608 9.745 -4.861 1.00 0.80 C ATOM 875 O LEU A 56 13.606 9.917 -3.646 1.00 0.72 O ATOM 876 CB LEU A 56 14.733 7.937 -6.211 1.00 0.99 C ATOM 877 CG LEU A 56 16.059 7.917 -5.427 1.00 1.27 C ATOM 878 CD1 LEU A 56 16.622 9.293 -5.048 1.00 1.80 C ATOM 879 CD2 LEU A 56 15.986 7.006 -4.198 1.00 2.40 C ATOM 0 H LEU A 56 12.483 7.752 -7.160 1.00 0.77 H new ATOM 0 HA LEU A 56 13.357 7.639 -4.595 1.00 0.75 H new ATOM 0 HB2 LEU A 56 14.571 6.945 -6.632 1.00 0.99 H new ATOM 0 HB3 LEU A 56 14.843 8.625 -7.049 1.00 0.99 H new ATOM 0 HG LEU A 56 16.772 7.502 -6.139 1.00 1.27 H new ATOM 0 HD11 LEU A 56 17.555 9.166 -4.500 1.00 1.80 H new ATOM 0 HD12 LEU A 56 16.808 9.872 -5.953 1.00 1.80 H new ATOM 0 HD13 LEU A 56 15.903 9.821 -4.422 1.00 1.80 H new ATOM 0 HD21 LEU A 56 16.943 7.022 -3.676 1.00 2.40 H new ATOM 0 HD22 LEU A 56 15.201 7.359 -3.529 1.00 2.40 H new ATOM 0 HD23 LEU A 56 15.762 5.987 -4.513 1.00 2.40 H new ATOM 891 N ASP A 57 13.684 10.750 -5.741 1.00 1.06 N ATOM 892 CA ASP A 57 13.893 12.122 -5.323 1.00 1.24 C ATOM 893 C ASP A 57 12.658 12.661 -4.590 1.00 1.20 C ATOM 894 O ASP A 57 12.786 13.172 -3.479 1.00 1.27 O ATOM 895 CB ASP A 57 14.292 13.005 -6.509 1.00 1.49 C ATOM 896 CG ASP A 57 14.447 14.449 -6.062 1.00 2.26 C ATOM 897 OD1 ASP A 57 14.884 14.684 -4.914 1.00 3.29 O ATOM 898 OD2 ASP A 57 14.006 15.357 -6.799 1.00 3.04 O ATOM 0 H ASP A 57 13.602 10.627 -6.750 1.00 1.06 H new ATOM 0 HA ASP A 57 14.724 12.144 -4.618 1.00 1.24 H new ATOM 0 HB2 ASP A 57 15.228 12.648 -6.939 1.00 1.49 H new ATOM 0 HB3 ASP A 57 13.536 12.938 -7.291 1.00 1.49 H new ATOM 903 N GLU A 58 11.466 12.519 -5.196 1.00 1.18 N ATOM 904 CA GLU A 58 10.160 12.853 -4.603 1.00 1.26 C ATOM 905 C GLU A 58 10.134 12.448 -3.123 1.00 1.14 C ATOM 906 O GLU A 58 9.777 13.236 -2.245 1.00 1.29 O ATOM 907 CB GLU A 58 9.034 12.149 -5.396 1.00 1.29 C ATOM 908 CG GLU A 58 7.592 12.587 -5.066 1.00 2.65 C ATOM 909 CD GLU A 58 6.530 11.799 -5.845 1.00 3.65 C ATOM 910 OE1 GLU A 58 6.913 11.021 -6.748 1.00 4.12 O ATOM 911 OE2 GLU A 58 5.324 11.961 -5.533 1.00 4.95 O ATOM 0 H GLU A 58 11.383 12.156 -6.146 1.00 1.18 H new ATOM 0 HA GLU A 58 9.999 13.930 -4.659 1.00 1.26 H new ATOM 0 HB2 GLU A 58 9.208 12.316 -6.459 1.00 1.29 H new ATOM 0 HB3 GLU A 58 9.114 11.076 -5.224 1.00 1.29 H new ATOM 0 HG2 GLU A 58 7.417 12.463 -3.997 1.00 2.65 H new ATOM 0 HG3 GLU A 58 7.482 13.649 -5.286 1.00 2.65 H new ATOM 918 N LYS A 59 10.558 11.215 -2.850 1.00 0.90 N ATOM 919 CA LYS A 59 10.588 10.656 -1.517 1.00 0.81 C ATOM 920 C LYS A 59 11.751 11.244 -0.717 1.00 0.79 C ATOM 921 O LYS A 59 11.545 11.753 0.379 1.00 0.83 O ATOM 922 CB LYS A 59 10.662 9.128 -1.634 1.00 0.74 C ATOM 923 CG LYS A 59 10.030 8.420 -0.434 1.00 0.77 C ATOM 924 CD LYS A 59 9.404 7.076 -0.829 1.00 0.76 C ATOM 925 CE LYS A 59 10.375 5.958 -1.210 1.00 0.75 C ATOM 926 NZ LYS A 59 11.082 6.239 -2.476 1.00 0.96 N ATOM 0 H LYS A 59 10.894 10.573 -3.568 1.00 0.90 H new ATOM 0 HA LYS A 59 9.681 10.915 -0.970 1.00 0.81 H new ATOM 0 HB2 LYS A 59 10.157 8.811 -2.547 1.00 0.74 H new ATOM 0 HB3 LYS A 59 11.705 8.823 -1.724 1.00 0.74 H new ATOM 0 HG2 LYS A 59 10.788 8.257 0.332 1.00 0.77 H new ATOM 0 HG3 LYS A 59 9.266 9.061 0.005 1.00 0.77 H new ATOM 0 HD2 LYS A 59 8.791 6.727 0.002 1.00 0.76 H new ATOM 0 HD3 LYS A 59 8.732 7.246 -1.670 1.00 0.76 H new ATOM 0 HE2 LYS A 59 11.104 5.825 -0.411 1.00 0.75 H new ATOM 0 HE3 LYS A 59 9.828 5.020 -1.302 1.00 0.75 H new ATOM 0 HZ1 LYS A 59 11.499 5.360 -2.843 1.00 0.96 H new ATOM 0 HZ2 LYS A 59 10.410 6.620 -3.172 1.00 0.96 H new ATOM 0 HZ3 LYS A 59 11.836 6.935 -2.306 1.00 0.96 H new ATOM 940 N MET A 60 12.970 11.178 -1.256 1.00 0.79 N ATOM 941 CA MET A 60 14.180 11.647 -0.598 1.00 0.83 C ATOM 942 C MET A 60 13.970 13.043 -0.020 1.00 0.91 C ATOM 943 O MET A 60 14.219 13.249 1.162 1.00 0.94 O ATOM 944 CB MET A 60 15.360 11.610 -1.577 1.00 0.92 C ATOM 945 CG MET A 60 16.685 11.999 -0.911 1.00 1.09 C ATOM 946 SD MET A 60 18.158 11.809 -1.952 1.00 1.48 S ATOM 947 CE MET A 60 17.814 13.005 -3.262 1.00 3.33 C ATOM 0 H MET A 60 13.142 10.788 -2.183 1.00 0.79 H new ATOM 0 HA MET A 60 14.414 10.982 0.234 1.00 0.83 H new ATOM 0 HB2 MET A 60 15.448 10.608 -1.997 1.00 0.92 H new ATOM 0 HB3 MET A 60 15.161 12.288 -2.407 1.00 0.92 H new ATOM 0 HG2 MET A 60 16.620 13.038 -0.588 1.00 1.09 H new ATOM 0 HG3 MET A 60 16.813 11.394 -0.014 1.00 1.09 H new ATOM 0 HE1 MET A 60 18.685 13.094 -3.911 1.00 3.33 H new ATOM 0 HE2 MET A 60 16.958 12.668 -3.847 1.00 3.33 H new ATOM 0 HE3 MET A 60 17.591 13.976 -2.819 1.00 3.33 H new ATOM 957 N LYS A 61 13.484 13.989 -0.829 1.00 0.98 N ATOM 958 CA LYS A 61 13.224 15.340 -0.339 1.00 1.09 C ATOM 959 C LYS A 61 12.176 15.309 0.782 1.00 1.08 C ATOM 960 O LYS A 61 12.384 15.866 1.857 1.00 1.14 O ATOM 961 CB LYS A 61 12.867 16.287 -1.497 1.00 1.22 C ATOM 962 CG LYS A 61 11.547 15.933 -2.197 1.00 1.79 C ATOM 963 CD LYS A 61 11.192 16.817 -3.391 1.00 2.14 C ATOM 964 CE LYS A 61 11.909 16.521 -4.719 1.00 2.14 C ATOM 965 NZ LYS A 61 13.368 16.735 -4.704 1.00 2.69 N ATOM 0 H LYS A 61 13.266 13.844 -1.815 1.00 0.98 H new ATOM 0 HA LYS A 61 14.134 15.747 0.103 1.00 1.09 H new ATOM 0 HB2 LYS A 61 12.804 17.306 -1.115 1.00 1.22 H new ATOM 0 HB3 LYS A 61 13.673 16.270 -2.230 1.00 1.22 H new ATOM 0 HG2 LYS A 61 11.598 14.897 -2.533 1.00 1.79 H new ATOM 0 HG3 LYS A 61 10.739 15.992 -1.468 1.00 1.79 H new ATOM 0 HD2 LYS A 61 10.118 16.740 -3.562 1.00 2.14 H new ATOM 0 HD3 LYS A 61 11.398 17.852 -3.119 1.00 2.14 H new ATOM 0 HE2 LYS A 61 11.712 15.486 -4.997 1.00 2.14 H new ATOM 0 HE3 LYS A 61 11.473 17.148 -5.497 1.00 2.14 H new ATOM 0 HZ1 LYS A 61 13.720 16.794 -5.681 1.00 2.69 H new ATOM 0 HZ2 LYS A 61 13.584 17.621 -4.204 1.00 2.69 H new ATOM 0 HZ3 LYS A 61 13.830 15.941 -4.217 1.00 2.69 H new ATOM 979 N SER A 62 11.053 14.625 0.537 1.00 1.05 N ATOM 980 CA SER A 62 9.986 14.455 1.519 1.00 1.11 C ATOM 981 C SER A 62 10.527 13.944 2.863 1.00 1.12 C ATOM 982 O SER A 62 10.005 14.323 3.908 1.00 1.33 O ATOM 983 CB SER A 62 8.891 13.526 0.971 1.00 1.12 C ATOM 984 OG SER A 62 7.729 13.570 1.779 1.00 2.16 O ATOM 0 H SER A 62 10.861 14.172 -0.356 1.00 1.05 H new ATOM 0 HA SER A 62 9.544 15.434 1.703 1.00 1.11 H new ATOM 0 HB2 SER A 62 8.639 13.818 -0.048 1.00 1.12 H new ATOM 0 HB3 SER A 62 9.267 12.504 0.926 1.00 1.12 H new ATOM 0 HG SER A 62 7.049 12.971 1.406 1.00 2.16 H new ATOM 990 N LEU A 63 11.540 13.075 2.844 1.00 0.98 N ATOM 991 CA LEU A 63 12.202 12.621 4.059 1.00 1.05 C ATOM 992 C LEU A 63 13.118 13.723 4.598 1.00 1.09 C ATOM 993 O LEU A 63 12.994 14.103 5.756 1.00 1.19 O ATOM 994 CB LEU A 63 12.951 11.296 3.817 1.00 1.08 C ATOM 995 CG LEU A 63 12.061 10.045 3.740 1.00 1.44 C ATOM 996 CD1 LEU A 63 10.623 10.243 3.235 1.00 1.72 C ATOM 997 CD2 LEU A 63 12.722 9.041 2.796 1.00 2.01 C ATOM 0 H LEU A 63 11.920 12.671 1.988 1.00 0.98 H new ATOM 0 HA LEU A 63 11.451 12.416 4.822 1.00 1.05 H new ATOM 0 HB2 LEU A 63 13.513 11.380 2.887 1.00 1.08 H new ATOM 0 HB3 LEU A 63 13.678 11.157 4.617 1.00 1.08 H new ATOM 0 HG LEU A 63 11.973 9.715 4.775 1.00 1.44 H new ATOM 0 HD11 LEU A 63 10.104 9.284 3.229 1.00 1.72 H new ATOM 0 HD12 LEU A 63 10.098 10.936 3.893 1.00 1.72 H new ATOM 0 HD13 LEU A 63 10.645 10.649 2.224 1.00 1.72 H new ATOM 0 HD21 LEU A 63 12.105 8.145 2.728 1.00 2.01 H new ATOM 0 HD22 LEU A 63 12.826 9.486 1.806 1.00 2.01 H new ATOM 0 HD23 LEU A 63 13.707 8.775 3.180 1.00 2.01 H new ATOM 1009 N ASP A 64 14.021 14.243 3.767 1.00 1.09 N ATOM 1010 CA ASP A 64 15.017 15.239 4.150 1.00 1.20 C ATOM 1011 C ASP A 64 14.419 16.364 5.004 1.00 1.30 C ATOM 1012 O ASP A 64 14.923 16.667 6.087 1.00 1.45 O ATOM 1013 CB ASP A 64 15.669 15.798 2.881 1.00 1.23 C ATOM 1014 CG ASP A 64 16.706 16.860 3.211 1.00 1.42 C ATOM 1015 OD1 ASP A 64 17.869 16.463 3.439 1.00 2.04 O ATOM 1016 OD2 ASP A 64 16.315 18.046 3.207 1.00 2.39 O ATOM 0 H ASP A 64 14.080 13.975 2.785 1.00 1.09 H new ATOM 0 HA ASP A 64 15.770 14.755 4.772 1.00 1.20 H new ATOM 0 HB2 ASP A 64 16.140 14.987 2.325 1.00 1.23 H new ATOM 0 HB3 ASP A 64 14.902 16.225 2.234 1.00 1.23 H new ATOM 1021 N VAL A 65 13.321 16.959 4.522 1.00 1.25 N ATOM 1022 CA VAL A 65 12.772 18.176 5.124 1.00 1.32 C ATOM 1023 C VAL A 65 12.420 17.972 6.590 1.00 1.39 C ATOM 1024 O VAL A 65 12.786 18.780 7.443 1.00 1.61 O ATOM 1025 CB VAL A 65 11.567 18.728 4.341 1.00 1.30 C ATOM 1026 CG1 VAL A 65 12.029 19.092 2.938 1.00 2.08 C ATOM 1027 CG2 VAL A 65 10.371 17.771 4.229 1.00 2.74 C ATOM 0 H VAL A 65 12.797 16.616 3.717 1.00 1.25 H new ATOM 0 HA VAL A 65 13.562 18.925 5.070 1.00 1.32 H new ATOM 0 HB VAL A 65 11.210 19.589 4.905 1.00 1.30 H new ATOM 0 HG11 VAL A 65 11.187 19.485 2.368 1.00 2.08 H new ATOM 0 HG12 VAL A 65 12.812 19.848 2.997 1.00 2.08 H new ATOM 0 HG13 VAL A 65 12.420 18.204 2.442 1.00 2.08 H new ATOM 0 HG21 VAL A 65 9.574 18.250 3.661 1.00 2.74 H new ATOM 0 HG22 VAL A 65 10.682 16.858 3.720 1.00 2.74 H new ATOM 0 HG23 VAL A 65 10.008 17.524 5.227 1.00 2.74 H new ATOM 1037 N ASN A 66 11.679 16.903 6.876 1.00 1.27 N ATOM 1038 CA ASN A 66 11.343 16.579 8.260 1.00 1.38 C ATOM 1039 C ASN A 66 10.967 15.119 8.485 1.00 1.44 C ATOM 1040 O ASN A 66 9.886 14.793 8.978 1.00 1.48 O ATOM 1041 CB ASN A 66 10.289 17.540 8.839 1.00 1.34 C ATOM 1042 CG ASN A 66 10.448 17.589 10.354 1.00 2.80 C ATOM 1043 OD1 ASN A 66 9.611 17.092 11.102 1.00 4.21 O ATOM 1044 ND2 ASN A 66 11.558 18.163 10.806 1.00 3.50 N ATOM 0 H ASN A 66 11.306 16.257 6.181 1.00 1.27 H new ATOM 0 HA ASN A 66 12.267 16.726 8.819 1.00 1.38 H new ATOM 0 HB2 ASN A 66 10.413 18.536 8.414 1.00 1.34 H new ATOM 0 HB3 ASN A 66 9.286 17.203 8.576 1.00 1.34 H new ATOM 0 HD21 ASN A 66 11.740 18.202 11.809 1.00 3.50 H new ATOM 0 HD22 ASN A 66 12.228 18.564 10.150 1.00 3.50 H new ATOM 1051 N GLN A 67 11.903 14.229 8.173 1.00 1.52 N ATOM 1052 CA GLN A 67 11.833 12.807 8.464 1.00 1.54 C ATOM 1053 C GLN A 67 11.378 12.503 9.894 1.00 1.68 C ATOM 1054 O GLN A 67 10.766 11.473 10.184 1.00 1.78 O ATOM 1055 CB GLN A 67 13.202 12.143 8.266 1.00 1.53 C ATOM 1056 CG GLN A 67 14.380 12.825 9.001 1.00 1.70 C ATOM 1057 CD GLN A 67 14.975 13.946 8.169 1.00 1.89 C ATOM 1058 OE1 GLN A 67 15.675 13.651 7.205 1.00 2.42 O ATOM 1059 NE2 GLN A 67 14.687 15.200 8.512 1.00 2.47 N ATOM 0 H GLN A 67 12.763 14.492 7.692 1.00 1.52 H new ATOM 0 HA GLN A 67 11.094 12.408 7.769 1.00 1.54 H new ATOM 0 HB2 GLN A 67 13.137 11.108 8.601 1.00 1.53 H new ATOM 0 HB3 GLN A 67 13.425 12.120 7.199 1.00 1.53 H new ATOM 0 HG2 GLN A 67 14.035 13.222 9.956 1.00 1.70 H new ATOM 0 HG3 GLN A 67 15.150 12.086 9.223 1.00 1.70 H new ATOM 0 HE21 GLN A 67 14.099 15.384 9.325 1.00 2.47 H new ATOM 0 HE22 GLN A 67 15.054 15.976 7.962 1.00 2.47 H new ATOM 1068 N ASP A 68 11.773 13.400 10.785 1.00 1.72 N ATOM 1069 CA ASP A 68 11.613 13.371 12.216 1.00 1.73 C ATOM 1070 C ASP A 68 10.175 13.719 12.636 1.00 1.67 C ATOM 1071 O ASP A 68 9.852 13.660 13.819 1.00 1.92 O ATOM 1072 CB ASP A 68 12.684 14.297 12.834 1.00 1.63 C ATOM 1073 CG ASP A 68 12.901 15.616 12.085 1.00 2.46 C ATOM 1074 OD1 ASP A 68 13.301 15.538 10.892 1.00 3.90 O ATOM 1075 OD2 ASP A 68 12.655 16.676 12.701 1.00 3.37 O ATOM 0 H ASP A 68 12.260 14.245 10.486 1.00 1.72 H new ATOM 0 HA ASP A 68 11.769 12.362 12.598 1.00 1.73 H new ATOM 0 HB2 ASP A 68 12.401 14.521 13.862 1.00 1.63 H new ATOM 0 HB3 ASP A 68 13.631 13.758 12.875 1.00 1.63 H new ATOM 1080 N SER A 69 9.274 13.978 11.677 1.00 1.63 N ATOM 1081 CA SER A 69 7.847 14.179 11.932 1.00 1.67 C ATOM 1082 C SER A 69 7.098 12.883 12.302 1.00 1.97 C ATOM 1083 O SER A 69 5.871 12.920 12.423 1.00 3.77 O ATOM 1084 CB SER A 69 7.202 14.804 10.684 1.00 1.62 C ATOM 1085 OG SER A 69 5.862 15.184 10.938 1.00 2.82 O ATOM 0 H SER A 69 9.523 14.054 10.691 1.00 1.63 H new ATOM 0 HA SER A 69 7.766 14.840 12.795 1.00 1.67 H new ATOM 0 HB2 SER A 69 7.777 15.676 10.372 1.00 1.62 H new ATOM 0 HB3 SER A 69 7.231 14.091 9.860 1.00 1.62 H new ATOM 0 HG SER A 69 5.427 14.500 11.489 1.00 2.82 H new ATOM 1091 N GLU A 70 7.802 11.753 12.425 1.00 1.00 N ATOM 1092 CA GLU A 70 7.257 10.410 12.597 1.00 1.03 C ATOM 1093 C GLU A 70 6.492 9.917 11.368 1.00 1.21 C ATOM 1094 O GLU A 70 5.819 10.681 10.673 1.00 1.46 O ATOM 1095 CB GLU A 70 6.467 10.224 13.904 1.00 1.13 C ATOM 1096 CG GLU A 70 7.445 9.955 15.051 1.00 2.23 C ATOM 1097 CD GLU A 70 6.769 9.750 16.397 1.00 3.03 C ATOM 1098 OE1 GLU A 70 5.527 9.880 16.501 1.00 3.23 O ATOM 1099 OE2 GLU A 70 7.480 9.381 17.360 1.00 4.15 O ATOM 0 H GLU A 70 8.822 11.755 12.406 1.00 1.00 H new ATOM 0 HA GLU A 70 8.128 9.762 12.695 1.00 1.03 H new ATOM 0 HB2 GLU A 70 5.876 11.115 14.116 1.00 1.13 H new ATOM 0 HB3 GLU A 70 5.767 9.394 13.805 1.00 1.13 H new ATOM 0 HG2 GLU A 70 8.036 9.070 14.813 1.00 2.23 H new ATOM 0 HG3 GLU A 70 8.140 10.791 15.127 1.00 2.23 H new ATOM 1106 N LEU A 71 6.593 8.613 11.109 1.00 1.36 N ATOM 1107 CA LEU A 71 5.868 7.938 10.046 1.00 1.61 C ATOM 1108 C LEU A 71 4.600 7.331 10.641 1.00 1.55 C ATOM 1109 O LEU A 71 4.604 6.831 11.764 1.00 1.66 O ATOM 1110 CB LEU A 71 6.741 6.848 9.405 1.00 2.03 C ATOM 1111 CG LEU A 71 6.146 6.341 8.077 1.00 1.86 C ATOM 1112 CD1 LEU A 71 6.713 7.107 6.886 1.00 1.60 C ATOM 1113 CD2 LEU A 71 6.445 4.859 7.883 1.00 3.40 C ATOM 0 H LEU A 71 7.195 7.989 11.646 1.00 1.36 H new ATOM 0 HA LEU A 71 5.606 8.651 9.264 1.00 1.61 H new ATOM 0 HB2 LEU A 71 7.741 7.242 9.227 1.00 2.03 H new ATOM 0 HB3 LEU A 71 6.846 6.013 10.098 1.00 2.03 H new ATOM 0 HG LEU A 71 5.069 6.500 8.129 1.00 1.86 H new ATOM 0 HD11 LEU A 71 6.273 6.725 5.965 1.00 1.60 H new ATOM 0 HD12 LEU A 71 6.477 8.166 6.989 1.00 1.60 H new ATOM 0 HD13 LEU A 71 7.795 6.978 6.852 1.00 1.60 H new ATOM 0 HD21 LEU A 71 6.016 4.522 6.939 1.00 3.40 H new ATOM 0 HD22 LEU A 71 7.524 4.705 7.867 1.00 3.40 H new ATOM 0 HD23 LEU A 71 6.009 4.289 8.704 1.00 3.40 H new ATOM 1125 N LYS A 72 3.515 7.388 9.879 1.00 1.42 N ATOM 1126 CA LYS A 72 2.219 6.807 10.145 1.00 1.33 C ATOM 1127 C LYS A 72 1.717 6.186 8.837 1.00 1.00 C ATOM 1128 O LYS A 72 2.318 6.390 7.775 1.00 0.97 O ATOM 1129 CB LYS A 72 1.260 7.915 10.607 1.00 1.44 C ATOM 1130 CG LYS A 72 1.549 8.403 12.033 1.00 1.94 C ATOM 1131 CD LYS A 72 1.397 9.927 12.177 1.00 1.99 C ATOM 1132 CE LYS A 72 2.718 10.683 11.952 1.00 2.26 C ATOM 1133 NZ LYS A 72 3.174 10.697 10.548 1.00 3.20 N ATOM 0 H LYS A 72 3.527 7.884 8.988 1.00 1.42 H new ATOM 0 HA LYS A 72 2.277 6.047 10.925 1.00 1.33 H new ATOM 0 HB2 LYS A 72 1.330 8.758 9.919 1.00 1.44 H new ATOM 0 HB3 LYS A 72 0.236 7.546 10.556 1.00 1.44 H new ATOM 0 HG2 LYS A 72 0.871 7.906 12.728 1.00 1.94 H new ATOM 0 HG3 LYS A 72 2.562 8.114 12.314 1.00 1.94 H new ATOM 0 HD2 LYS A 72 0.654 10.282 11.463 1.00 1.99 H new ATOM 0 HD3 LYS A 72 1.017 10.157 13.173 1.00 1.99 H new ATOM 0 HE2 LYS A 72 2.598 11.711 12.294 1.00 2.26 H new ATOM 0 HE3 LYS A 72 3.493 10.230 12.570 1.00 2.26 H new ATOM 0 HZ1 LYS A 72 4.143 11.072 10.501 1.00 3.20 H new ATOM 0 HZ2 LYS A 72 3.159 9.729 10.168 1.00 3.20 H new ATOM 0 HZ3 LYS A 72 2.542 11.300 9.984 1.00 3.20 H new ATOM 1147 N PHE A 73 0.609 5.442 8.915 1.00 0.85 N ATOM 1148 CA PHE A 73 -0.044 4.812 7.764 1.00 0.75 C ATOM 1149 C PHE A 73 -0.072 5.731 6.538 1.00 0.65 C ATOM 1150 O PHE A 73 0.319 5.323 5.444 1.00 0.69 O ATOM 1151 CB PHE A 73 -1.452 4.296 8.126 1.00 1.08 C ATOM 1152 CG PHE A 73 -2.317 5.245 8.942 1.00 1.17 C ATOM 1153 CD1 PHE A 73 -3.022 6.296 8.325 1.00 2.43 C ATOM 1154 CD2 PHE A 73 -2.311 5.153 10.345 1.00 2.00 C ATOM 1155 CE1 PHE A 73 -3.514 7.359 9.105 1.00 3.02 C ATOM 1156 CE2 PHE A 73 -2.805 6.210 11.126 1.00 2.78 C ATOM 1157 CZ PHE A 73 -3.370 7.335 10.503 1.00 2.91 C ATOM 0 H PHE A 73 0.132 5.258 9.798 1.00 0.85 H new ATOM 0 HA PHE A 73 0.560 3.947 7.490 1.00 0.75 H new ATOM 0 HB2 PHE A 73 -1.979 4.058 7.202 1.00 1.08 H new ATOM 0 HB3 PHE A 73 -1.345 3.364 8.681 1.00 1.08 H new ATOM 0 HD1 PHE A 73 -3.185 6.286 7.257 1.00 2.43 H new ATOM 0 HD2 PHE A 73 -1.925 4.265 10.824 1.00 2.00 H new ATOM 0 HE1 PHE A 73 -4.003 8.195 8.628 1.00 3.02 H new ATOM 0 HE2 PHE A 73 -2.751 6.158 12.203 1.00 2.78 H new ATOM 0 HZ PHE A 73 -3.692 8.178 11.096 1.00 2.91 H new ATOM 1167 N ASN A 74 -0.532 6.970 6.722 1.00 0.89 N ATOM 1168 CA ASN A 74 -0.768 7.902 5.630 1.00 1.21 C ATOM 1169 C ASN A 74 0.509 8.213 4.846 1.00 1.06 C ATOM 1170 O ASN A 74 0.454 8.227 3.618 1.00 1.18 O ATOM 1171 CB ASN A 74 -1.464 9.173 6.132 1.00 1.62 C ATOM 1172 CG ASN A 74 -0.632 9.884 7.189 1.00 2.96 C ATOM 1173 OD1 ASN A 74 -0.570 9.423 8.323 1.00 3.90 O ATOM 1174 ND2 ASN A 74 0.028 10.977 6.823 1.00 4.03 N ATOM 0 H ASN A 74 -0.751 7.353 7.642 1.00 0.89 H new ATOM 0 HA ASN A 74 -1.443 7.415 4.926 1.00 1.21 H new ATOM 0 HB2 ASN A 74 -1.642 9.847 5.294 1.00 1.62 H new ATOM 0 HB3 ASN A 74 -2.439 8.916 6.547 1.00 1.62 H new ATOM 0 HD21 ASN A 74 0.616 11.468 7.497 1.00 4.03 H new ATOM 0 HD22 ASN A 74 -0.053 11.326 5.868 1.00 4.03 H new ATOM 1181 N GLU A 75 1.650 8.456 5.505 1.00 0.99 N ATOM 1182 CA GLU A 75 2.884 8.692 4.764 1.00 0.94 C ATOM 1183 C GLU A 75 3.414 7.371 4.209 1.00 0.64 C ATOM 1184 O GLU A 75 3.748 7.291 3.026 1.00 0.60 O ATOM 1185 CB GLU A 75 3.958 9.384 5.610 1.00 1.34 C ATOM 1186 CG GLU A 75 3.472 10.681 6.277 1.00 1.76 C ATOM 1187 CD GLU A 75 2.942 10.472 7.685 1.00 3.22 C ATOM 1188 OE1 GLU A 75 3.251 9.426 8.294 1.00 4.56 O ATOM 1189 OE2 GLU A 75 2.269 11.385 8.217 1.00 3.80 O ATOM 0 H GLU A 75 1.739 8.493 6.520 1.00 0.99 H new ATOM 0 HA GLU A 75 2.646 9.369 3.943 1.00 0.94 H new ATOM 0 HB2 GLU A 75 4.302 8.695 6.381 1.00 1.34 H new ATOM 0 HB3 GLU A 75 4.817 9.610 4.978 1.00 1.34 H new ATOM 0 HG2 GLU A 75 4.295 11.395 6.309 1.00 1.76 H new ATOM 0 HG3 GLU A 75 2.688 11.125 5.664 1.00 1.76 H new ATOM 1196 N TYR A 76 3.498 6.346 5.070 1.00 0.62 N ATOM 1197 CA TYR A 76 4.001 5.025 4.703 1.00 0.63 C ATOM 1198 C TYR A 76 3.456 4.612 3.344 1.00 0.49 C ATOM 1199 O TYR A 76 4.213 4.225 2.457 1.00 0.53 O ATOM 1200 CB TYR A 76 3.581 3.994 5.758 1.00 0.76 C ATOM 1201 CG TYR A 76 3.907 2.547 5.414 1.00 0.94 C ATOM 1202 CD1 TYR A 76 3.022 1.793 4.617 1.00 2.19 C ATOM 1203 CD2 TYR A 76 5.047 1.921 5.953 1.00 1.66 C ATOM 1204 CE1 TYR A 76 3.338 0.472 4.262 1.00 2.39 C ATOM 1205 CE2 TYR A 76 5.342 0.584 5.630 1.00 1.74 C ATOM 1206 CZ TYR A 76 4.500 -0.132 4.763 1.00 1.44 C ATOM 1207 OH TYR A 76 4.780 -1.425 4.439 1.00 1.77 O ATOM 0 H TYR A 76 3.215 6.417 6.047 1.00 0.62 H new ATOM 0 HA TYR A 76 5.089 5.069 4.652 1.00 0.63 H new ATOM 0 HB2 TYR A 76 4.066 4.245 6.702 1.00 0.76 H new ATOM 0 HB3 TYR A 76 2.506 4.079 5.919 1.00 0.76 H new ATOM 0 HD1 TYR A 76 2.096 2.234 4.278 1.00 2.19 H new ATOM 0 HD2 TYR A 76 5.698 2.470 6.617 1.00 1.66 H new ATOM 0 HE1 TYR A 76 2.685 -0.080 3.602 1.00 2.39 H new ATOM 0 HE2 TYR A 76 6.216 0.108 6.049 1.00 1.74 H new ATOM 0 HH TYR A 76 5.620 -1.694 4.865 1.00 1.77 H new ATOM 1217 N TRP A 77 2.131 4.689 3.205 1.00 0.41 N ATOM 1218 CA TRP A 77 1.441 4.154 2.054 1.00 0.40 C ATOM 1219 C TRP A 77 2.023 4.678 0.743 1.00 0.41 C ATOM 1220 O TRP A 77 2.752 3.972 0.046 1.00 0.44 O ATOM 1221 CB TRP A 77 -0.059 4.420 2.184 1.00 0.41 C ATOM 1222 CG TRP A 77 -0.825 3.214 1.859 1.00 0.43 C ATOM 1223 CD1 TRP A 77 -1.169 2.893 0.609 1.00 0.45 C ATOM 1224 CD2 TRP A 77 -1.350 2.177 2.730 1.00 0.44 C ATOM 1225 NE1 TRP A 77 -1.852 1.703 0.641 1.00 0.51 N ATOM 1226 CE2 TRP A 77 -2.064 1.251 1.922 1.00 0.51 C ATOM 1227 CE3 TRP A 77 -1.320 1.937 4.115 1.00 0.41 C ATOM 1228 CZ2 TRP A 77 -2.766 0.166 2.463 1.00 0.56 C ATOM 1229 CZ3 TRP A 77 -1.989 0.825 4.654 1.00 0.44 C ATOM 1230 CH2 TRP A 77 -2.718 -0.051 3.843 1.00 0.52 C ATOM 0 H TRP A 77 1.516 5.125 3.892 1.00 0.41 H new ATOM 0 HA TRP A 77 1.590 3.075 2.026 1.00 0.40 H new ATOM 0 HB2 TRP A 77 -0.290 4.742 3.199 1.00 0.41 H new ATOM 0 HB3 TRP A 77 -0.349 5.233 1.518 1.00 0.41 H new ATOM 0 HD1 TRP A 77 -0.948 3.471 -0.276 1.00 0.45 H new ATOM 0 HE1 TRP A 77 -2.167 1.209 -0.193 1.00 0.51 H new ATOM 0 HE3 TRP A 77 -0.781 2.609 4.766 1.00 0.41 H new ATOM 0 HZ2 TRP A 77 -3.335 -0.492 1.824 1.00 0.56 H new ATOM 0 HZ3 TRP A 77 -1.939 0.643 5.717 1.00 0.44 H new ATOM 0 HH2 TRP A 77 -3.240 -0.889 4.280 1.00 0.52 H new ATOM 1241 N ARG A 78 1.705 5.925 0.403 1.00 0.43 N ATOM 1242 CA ARG A 78 2.271 6.601 -0.740 1.00 0.50 C ATOM 1243 C ARG A 78 3.786 6.375 -0.857 1.00 0.50 C ATOM 1244 O ARG A 78 4.252 6.070 -1.948 1.00 0.57 O ATOM 1245 CB ARG A 78 1.923 8.083 -0.661 1.00 0.64 C ATOM 1246 CG ARG A 78 2.269 8.760 0.669 1.00 1.37 C ATOM 1247 CD ARG A 78 1.983 10.264 0.634 1.00 1.74 C ATOM 1248 NE ARG A 78 3.216 11.039 0.361 1.00 2.61 N ATOM 1249 CZ ARG A 78 3.897 10.976 -0.795 1.00 3.93 C ATOM 1250 NH1 ARG A 78 3.233 10.750 -1.924 1.00 4.68 N ATOM 1251 NH2 ARG A 78 5.227 11.087 -0.822 1.00 5.27 N ATOM 0 H ARG A 78 1.038 6.493 0.926 1.00 0.43 H new ATOM 0 HA ARG A 78 1.839 6.179 -1.647 1.00 0.50 H new ATOM 0 HB2 ARG A 78 2.443 8.606 -1.464 1.00 0.64 H new ATOM 0 HB3 ARG A 78 0.855 8.200 -0.844 1.00 0.64 H new ATOM 0 HG2 ARG A 78 1.693 8.299 1.472 1.00 1.37 H new ATOM 0 HG3 ARG A 78 3.322 8.596 0.897 1.00 1.37 H new ATOM 0 HD2 ARG A 78 1.239 10.477 -0.134 1.00 1.74 H new ATOM 0 HD3 ARG A 78 1.557 10.578 1.587 1.00 1.74 H new ATOM 0 HE ARG A 78 3.568 11.656 1.093 1.00 2.61 H new ATOM 0 HH11 ARG A 78 2.221 10.627 -1.904 1.00 4.68 H new ATOM 0 HH12 ARG A 78 3.736 10.699 -2.810 1.00 4.68 H new ATOM 0 HH21 ARG A 78 5.745 11.222 0.046 1.00 5.27 H new ATOM 0 HH22 ARG A 78 5.725 11.036 -1.711 1.00 5.27 H new ATOM 1265 N LEU A 79 4.558 6.472 0.237 1.00 0.49 N ATOM 1266 CA LEU A 79 6.002 6.246 0.176 1.00 0.53 C ATOM 1267 C LEU A 79 6.328 4.867 -0.418 1.00 0.48 C ATOM 1268 O LEU A 79 7.171 4.770 -1.311 1.00 0.52 O ATOM 1269 CB LEU A 79 6.664 6.431 1.555 1.00 0.65 C ATOM 1270 CG LEU A 79 7.082 7.871 1.946 1.00 0.78 C ATOM 1271 CD1 LEU A 79 6.173 8.995 1.445 1.00 0.77 C ATOM 1272 CD2 LEU A 79 7.196 8.013 3.466 1.00 1.04 C ATOM 0 H LEU A 79 4.205 6.704 1.166 1.00 0.49 H new ATOM 0 HA LEU A 79 6.420 7.001 -0.490 1.00 0.53 H new ATOM 0 HB2 LEU A 79 5.975 6.060 2.314 1.00 0.65 H new ATOM 0 HB3 LEU A 79 7.551 5.799 1.593 1.00 0.65 H new ATOM 0 HG LEU A 79 8.042 7.995 1.444 1.00 0.78 H new ATOM 0 HD11 LEU A 79 6.564 9.956 1.779 1.00 0.77 H new ATOM 0 HD12 LEU A 79 6.138 8.977 0.356 1.00 0.77 H new ATOM 0 HD13 LEU A 79 5.168 8.855 1.843 1.00 0.77 H new ATOM 0 HD21 LEU A 79 7.491 9.032 3.715 1.00 1.04 H new ATOM 0 HD22 LEU A 79 6.233 7.791 3.925 1.00 1.04 H new ATOM 0 HD23 LEU A 79 7.946 7.317 3.841 1.00 1.04 H new ATOM 1284 N ILE A 80 5.692 3.789 0.054 1.00 0.44 N ATOM 1285 CA ILE A 80 5.959 2.469 -0.515 1.00 0.45 C ATOM 1286 C ILE A 80 5.402 2.354 -1.939 1.00 0.44 C ATOM 1287 O ILE A 80 5.976 1.673 -2.783 1.00 0.45 O ATOM 1288 CB ILE A 80 5.527 1.316 0.404 1.00 0.45 C ATOM 1289 CG1 ILE A 80 4.021 1.187 0.637 1.00 0.64 C ATOM 1290 CG2 ILE A 80 6.195 1.461 1.762 1.00 0.53 C ATOM 1291 CD1 ILE A 80 3.613 -0.288 0.724 1.00 0.48 C ATOM 0 H ILE A 80 5.006 3.804 0.809 1.00 0.44 H new ATOM 0 HA ILE A 80 7.042 2.368 -0.592 1.00 0.45 H new ATOM 0 HB ILE A 80 5.839 0.416 -0.125 1.00 0.45 H new ATOM 0 HG12 ILE A 80 3.745 1.701 1.557 1.00 0.64 H new ATOM 0 HG13 ILE A 80 3.479 1.673 -0.175 1.00 0.64 H new ATOM 0 HG21 ILE A 80 5.885 0.641 2.409 1.00 0.53 H new ATOM 0 HG22 ILE A 80 7.278 1.437 1.639 1.00 0.53 H new ATOM 0 HG23 ILE A 80 5.902 2.409 2.212 1.00 0.53 H new ATOM 0 HD11 ILE A 80 2.538 -0.359 0.890 1.00 0.48 H new ATOM 0 HD12 ILE A 80 3.870 -0.792 -0.207 1.00 0.48 H new ATOM 0 HD13 ILE A 80 4.140 -0.763 1.551 1.00 0.48 H new ATOM 1303 N GLY A 81 4.306 3.057 -2.225 1.00 0.43 N ATOM 1304 CA GLY A 81 3.803 3.215 -3.586 1.00 0.44 C ATOM 1305 C GLY A 81 4.874 3.756 -4.536 1.00 0.43 C ATOM 1306 O GLY A 81 5.192 3.156 -5.565 1.00 0.57 O ATOM 0 H GLY A 81 3.744 3.532 -1.519 1.00 0.43 H new ATOM 0 HA2 GLY A 81 3.445 2.253 -3.954 1.00 0.44 H new ATOM 0 HA3 GLY A 81 2.949 3.892 -3.580 1.00 0.44 H new ATOM 1310 N GLU A 82 5.437 4.907 -4.175 1.00 0.39 N ATOM 1311 CA GLU A 82 6.594 5.493 -4.821 1.00 0.44 C ATOM 1312 C GLU A 82 7.715 4.454 -4.915 1.00 0.49 C ATOM 1313 O GLU A 82 8.281 4.265 -5.989 1.00 0.62 O ATOM 1314 CB GLU A 82 6.980 6.775 -4.063 1.00 0.53 C ATOM 1315 CG GLU A 82 6.082 7.951 -4.489 1.00 0.70 C ATOM 1316 CD GLU A 82 5.429 8.689 -3.331 1.00 1.74 C ATOM 1317 OE1 GLU A 82 6.145 9.248 -2.472 1.00 2.67 O ATOM 1318 OE2 GLU A 82 4.181 8.792 -3.370 1.00 2.86 O ATOM 0 H GLU A 82 5.085 5.469 -3.400 1.00 0.39 H new ATOM 0 HA GLU A 82 6.378 5.785 -5.849 1.00 0.44 H new ATOM 0 HB2 GLU A 82 6.887 6.610 -2.989 1.00 0.53 H new ATOM 0 HB3 GLU A 82 8.024 7.019 -4.259 1.00 0.53 H new ATOM 0 HG2 GLU A 82 6.678 8.658 -5.066 1.00 0.70 H new ATOM 0 HG3 GLU A 82 5.302 7.576 -5.152 1.00 0.70 H new ATOM 1325 N LEU A 83 7.993 3.709 -3.842 1.00 0.44 N ATOM 1326 CA LEU A 83 8.986 2.648 -3.929 1.00 0.50 C ATOM 1327 C LEU A 83 8.659 1.618 -5.024 1.00 0.53 C ATOM 1328 O LEU A 83 9.544 1.283 -5.808 1.00 0.62 O ATOM 1329 CB LEU A 83 9.243 2.011 -2.566 1.00 0.57 C ATOM 1330 CG LEU A 83 10.544 1.196 -2.534 1.00 1.08 C ATOM 1331 CD1 LEU A 83 11.801 2.011 -2.876 1.00 2.28 C ATOM 1332 CD2 LEU A 83 10.687 0.671 -1.110 1.00 1.82 C ATOM 0 H LEU A 83 7.555 3.819 -2.928 1.00 0.44 H new ATOM 0 HA LEU A 83 9.923 3.110 -4.240 1.00 0.50 H new ATOM 0 HB2 LEU A 83 9.288 2.791 -1.806 1.00 0.57 H new ATOM 0 HB3 LEU A 83 8.406 1.363 -2.308 1.00 0.57 H new ATOM 0 HG LEU A 83 10.473 0.413 -3.289 1.00 1.08 H new ATOM 0 HD11 LEU A 83 12.677 1.364 -2.832 1.00 2.28 H new ATOM 0 HD12 LEU A 83 11.705 2.424 -3.880 1.00 2.28 H new ATOM 0 HD13 LEU A 83 11.914 2.824 -2.159 1.00 2.28 H new ATOM 0 HD21 LEU A 83 11.600 0.081 -1.030 1.00 1.82 H new ATOM 0 HD22 LEU A 83 10.735 1.510 -0.416 1.00 1.82 H new ATOM 0 HD23 LEU A 83 9.828 0.046 -0.865 1.00 1.82 H new ATOM 1344 N ALA A 84 7.413 1.132 -5.140 1.00 0.53 N ATOM 1345 CA ALA A 84 7.028 0.314 -6.292 1.00 0.67 C ATOM 1346 C ALA A 84 7.332 1.017 -7.629 1.00 0.77 C ATOM 1347 O ALA A 84 7.855 0.402 -8.559 1.00 1.07 O ATOM 1348 CB ALA A 84 5.548 -0.072 -6.193 1.00 0.70 C ATOM 0 H ALA A 84 6.669 1.290 -4.461 1.00 0.53 H new ATOM 0 HA ALA A 84 7.630 -0.595 -6.272 1.00 0.67 H new ATOM 0 HB1 ALA A 84 5.272 -0.680 -7.055 1.00 0.70 H new ATOM 0 HB2 ALA A 84 5.381 -0.641 -5.279 1.00 0.70 H new ATOM 0 HB3 ALA A 84 4.937 0.830 -6.175 1.00 0.70 H new ATOM 1354 N LYS A 85 7.002 2.309 -7.737 1.00 0.68 N ATOM 1355 CA LYS A 85 7.272 3.126 -8.924 1.00 0.90 C ATOM 1356 C LYS A 85 8.768 3.189 -9.256 1.00 0.91 C ATOM 1357 O LYS A 85 9.141 3.270 -10.432 1.00 1.26 O ATOM 1358 CB LYS A 85 6.730 4.543 -8.684 1.00 1.15 C ATOM 1359 CG LYS A 85 6.464 5.379 -9.946 1.00 1.18 C ATOM 1360 CD LYS A 85 6.745 6.835 -9.562 1.00 1.54 C ATOM 1361 CE LYS A 85 6.132 7.893 -10.483 1.00 2.04 C ATOM 1362 NZ LYS A 85 6.593 9.242 -10.083 1.00 2.91 N ATOM 0 H LYS A 85 6.533 2.823 -6.991 1.00 0.68 H new ATOM 0 HA LYS A 85 6.774 2.664 -9.776 1.00 0.90 H new ATOM 0 HB2 LYS A 85 5.801 4.466 -8.120 1.00 1.15 H new ATOM 0 HB3 LYS A 85 7.440 5.082 -8.057 1.00 1.15 H new ATOM 0 HG2 LYS A 85 7.108 5.062 -10.766 1.00 1.18 H new ATOM 0 HG3 LYS A 85 5.435 5.257 -10.284 1.00 1.18 H new ATOM 0 HD2 LYS A 85 6.376 7.003 -8.550 1.00 1.54 H new ATOM 0 HD3 LYS A 85 7.825 6.983 -9.536 1.00 1.54 H new ATOM 0 HE2 LYS A 85 6.415 7.695 -11.517 1.00 2.04 H new ATOM 0 HE3 LYS A 85 5.044 7.842 -10.435 1.00 2.04 H new ATOM 0 HZ1 LYS A 85 5.792 9.783 -9.699 1.00 2.91 H new ATOM 0 HZ2 LYS A 85 7.332 9.155 -9.356 1.00 2.91 H new ATOM 0 HZ3 LYS A 85 6.979 9.737 -10.912 1.00 2.91 H new ATOM 1376 N GLU A 86 9.604 3.212 -8.220 1.00 0.64 N ATOM 1377 CA GLU A 86 11.054 3.161 -8.283 1.00 0.63 C ATOM 1378 C GLU A 86 11.484 1.742 -8.678 1.00 0.66 C ATOM 1379 O GLU A 86 11.788 1.493 -9.843 1.00 0.74 O ATOM 1380 CB GLU A 86 11.579 3.608 -6.912 1.00 0.66 C ATOM 1381 CG GLU A 86 11.407 5.122 -6.749 1.00 0.89 C ATOM 1382 CD GLU A 86 11.272 5.501 -5.286 1.00 1.18 C ATOM 1383 OE1 GLU A 86 12.090 5.035 -4.463 1.00 1.97 O ATOM 1384 OE2 GLU A 86 10.342 6.267 -4.947 1.00 2.37 O ATOM 0 H GLU A 86 9.262 3.270 -7.261 1.00 0.64 H new ATOM 0 HA GLU A 86 11.472 3.826 -9.038 1.00 0.63 H new ATOM 0 HB2 GLU A 86 11.041 3.086 -6.120 1.00 0.66 H new ATOM 0 HB3 GLU A 86 12.631 3.341 -6.812 1.00 0.66 H new ATOM 0 HG2 GLU A 86 12.263 5.638 -7.184 1.00 0.89 H new ATOM 0 HG3 GLU A 86 10.524 5.452 -7.297 1.00 0.89 H new ATOM 1391 N ILE A 87 11.480 0.799 -7.735 1.00 0.72 N ATOM 1392 CA ILE A 87 11.966 -0.556 -7.923 1.00 0.85 C ATOM 1393 C ILE A 87 10.883 -1.392 -8.619 1.00 0.90 C ATOM 1394 O ILE A 87 10.088 -2.112 -8.016 1.00 1.01 O ATOM 1395 CB ILE A 87 12.500 -1.135 -6.591 1.00 1.04 C ATOM 1396 CG1 ILE A 87 13.647 -2.134 -6.819 1.00 1.49 C ATOM 1397 CG2 ILE A 87 11.463 -1.716 -5.619 1.00 1.17 C ATOM 1398 CD1 ILE A 87 13.366 -3.190 -7.889 1.00 1.17 C ATOM 0 H ILE A 87 11.127 0.969 -6.793 1.00 0.72 H new ATOM 0 HA ILE A 87 12.829 -0.574 -8.589 1.00 0.85 H new ATOM 0 HB ILE A 87 12.873 -0.247 -6.080 1.00 1.04 H new ATOM 0 HG12 ILE A 87 14.543 -1.581 -7.099 1.00 1.49 H new ATOM 0 HG13 ILE A 87 13.865 -2.638 -5.878 1.00 1.49 H new ATOM 0 HG21 ILE A 87 11.968 -2.087 -4.727 1.00 1.17 H new ATOM 0 HG22 ILE A 87 10.753 -0.938 -5.337 1.00 1.17 H new ATOM 0 HG23 ILE A 87 10.931 -2.535 -6.102 1.00 1.17 H new ATOM 0 HD11 ILE A 87 14.228 -3.851 -7.983 1.00 1.17 H new ATOM 0 HD12 ILE A 87 12.491 -3.773 -7.604 1.00 1.17 H new ATOM 0 HD13 ILE A 87 13.179 -2.699 -8.844 1.00 1.17 H new ATOM 1410 N ARG A 88 10.890 -1.335 -9.950 1.00 0.95 N ATOM 1411 CA ARG A 88 9.888 -2.010 -10.754 1.00 1.09 C ATOM 1412 C ARG A 88 10.276 -3.482 -10.859 1.00 1.09 C ATOM 1413 O ARG A 88 11.067 -3.866 -11.719 1.00 1.28 O ATOM 1414 CB ARG A 88 9.783 -1.348 -12.135 1.00 1.27 C ATOM 1415 CG ARG A 88 9.291 0.090 -11.959 1.00 2.11 C ATOM 1416 CD ARG A 88 9.218 0.866 -13.274 1.00 2.20 C ATOM 1417 NE ARG A 88 9.106 2.291 -12.948 1.00 3.56 N ATOM 1418 CZ ARG A 88 9.030 3.318 -13.797 1.00 4.22 C ATOM 1419 NH1 ARG A 88 8.930 3.099 -15.113 1.00 3.63 N ATOM 1420 NH2 ARG A 88 9.066 4.557 -13.298 1.00 5.82 N ATOM 0 H ARG A 88 11.586 -0.823 -10.492 1.00 0.95 H new ATOM 0 HA ARG A 88 8.905 -1.933 -10.289 1.00 1.09 H new ATOM 0 HB2 ARG A 88 10.753 -1.356 -12.632 1.00 1.27 H new ATOM 0 HB3 ARG A 88 9.095 -1.907 -12.770 1.00 1.27 H new ATOM 0 HG2 ARG A 88 8.304 0.076 -11.498 1.00 2.11 H new ATOM 0 HG3 ARG A 88 9.956 0.613 -11.272 1.00 2.11 H new ATOM 0 HD2 ARG A 88 10.107 0.681 -13.877 1.00 2.20 H new ATOM 0 HD3 ARG A 88 8.360 0.540 -13.863 1.00 2.20 H new ATOM 0 HE ARG A 88 9.084 2.525 -11.955 1.00 3.56 H new ATOM 0 HH11 ARG A 88 8.912 2.144 -15.471 1.00 3.63 H new ATOM 0 HH12 ARG A 88 8.872 3.887 -15.758 1.00 3.63 H new ATOM 0 HH21 ARG A 88 9.150 4.699 -12.291 1.00 5.82 H new ATOM 0 HH22 ARG A 88 9.010 5.361 -13.924 1.00 5.82 H new ATOM 1434 N LYS A 89 9.716 -4.281 -9.945 1.00 1.09 N ATOM 1435 CA LYS A 89 9.818 -5.733 -9.896 1.00 1.11 C ATOM 1436 C LYS A 89 9.739 -6.325 -11.303 1.00 1.28 C ATOM 1437 O LYS A 89 8.694 -6.253 -11.944 1.00 1.73 O ATOM 1438 CB LYS A 89 8.711 -6.288 -8.988 1.00 1.38 C ATOM 1439 CG LYS A 89 9.003 -5.982 -7.512 1.00 1.22 C ATOM 1440 CD LYS A 89 7.880 -6.452 -6.576 1.00 2.21 C ATOM 1441 CE LYS A 89 8.336 -6.212 -5.129 1.00 2.62 C ATOM 1442 NZ LYS A 89 7.539 -6.924 -4.108 1.00 3.92 N ATOM 0 H LYS A 89 9.151 -3.907 -9.182 1.00 1.09 H new ATOM 0 HA LYS A 89 10.784 -6.018 -9.480 1.00 1.11 H new ATOM 0 HB2 LYS A 89 7.752 -5.853 -9.270 1.00 1.38 H new ATOM 0 HB3 LYS A 89 8.626 -7.365 -9.130 1.00 1.38 H new ATOM 0 HG2 LYS A 89 9.937 -6.464 -7.223 1.00 1.22 H new ATOM 0 HG3 LYS A 89 9.147 -4.909 -7.389 1.00 1.22 H new ATOM 0 HD2 LYS A 89 6.959 -5.905 -6.781 1.00 2.21 H new ATOM 0 HD3 LYS A 89 7.666 -7.509 -6.738 1.00 2.21 H new ATOM 0 HE2 LYS A 89 9.378 -6.516 -5.035 1.00 2.62 H new ATOM 0 HE3 LYS A 89 8.296 -5.143 -4.922 1.00 2.62 H new ATOM 0 HZ1 LYS A 89 7.699 -6.488 -3.177 1.00 3.92 H new ATOM 0 HZ2 LYS A 89 6.530 -6.863 -4.351 1.00 3.92 H new ATOM 0 HZ3 LYS A 89 7.827 -7.923 -4.077 1.00 3.92 H new ATOM 1456 N LYS A 90 10.855 -6.900 -11.772 1.00 1.72 N ATOM 1457 CA LYS A 90 11.006 -7.352 -13.153 1.00 2.27 C ATOM 1458 C LYS A 90 9.846 -8.255 -13.589 1.00 1.97 C ATOM 1459 O LYS A 90 9.338 -8.115 -14.698 1.00 2.76 O ATOM 1460 CB LYS A 90 12.398 -7.978 -13.358 1.00 3.10 C ATOM 1461 CG LYS A 90 12.680 -9.223 -12.499 1.00 4.54 C ATOM 1462 CD LYS A 90 14.114 -9.752 -12.678 1.00 5.74 C ATOM 1463 CE LYS A 90 15.235 -8.836 -12.149 1.00 7.13 C ATOM 1464 NZ LYS A 90 15.178 -8.627 -10.685 1.00 8.60 N ATOM 0 H LYS A 90 11.681 -7.063 -11.196 1.00 1.72 H new ATOM 0 HA LYS A 90 10.951 -6.489 -13.817 1.00 2.27 H new ATOM 0 HB2 LYS A 90 12.509 -8.246 -14.409 1.00 3.10 H new ATOM 0 HB3 LYS A 90 13.155 -7.225 -13.140 1.00 3.10 H new ATOM 0 HG2 LYS A 90 12.514 -8.981 -11.449 1.00 4.54 H new ATOM 0 HG3 LYS A 90 11.971 -10.009 -12.761 1.00 4.54 H new ATOM 0 HD2 LYS A 90 14.191 -10.717 -12.176 1.00 5.74 H new ATOM 0 HD3 LYS A 90 14.286 -9.930 -13.739 1.00 5.74 H new ATOM 0 HE2 LYS A 90 16.201 -9.268 -12.410 1.00 7.13 H new ATOM 0 HE3 LYS A 90 15.172 -7.870 -12.650 1.00 7.13 H new ATOM 0 HZ1 LYS A 90 15.957 -8.003 -10.393 1.00 8.60 H new ATOM 0 HZ2 LYS A 90 14.270 -8.188 -10.432 1.00 8.60 H new ATOM 0 HZ3 LYS A 90 15.267 -9.543 -10.200 1.00 8.60 H new ATOM 1478 N LYS A 91 9.437 -9.157 -12.690 1.00 1.61 N ATOM 1479 CA LYS A 91 8.173 -9.892 -12.678 1.00 2.02 C ATOM 1480 C LYS A 91 8.247 -10.964 -11.591 1.00 2.01 C ATOM 1481 O LYS A 91 7.372 -11.060 -10.737 1.00 2.53 O ATOM 1482 CB LYS A 91 7.756 -10.489 -14.040 1.00 2.61 C ATOM 1483 CG LYS A 91 8.838 -11.302 -14.771 1.00 2.97 C ATOM 1484 CD LYS A 91 8.354 -11.859 -16.119 1.00 3.52 C ATOM 1485 CE LYS A 91 7.214 -12.891 -16.049 1.00 4.07 C ATOM 1486 NZ LYS A 91 7.537 -14.070 -15.216 1.00 4.70 N ATOM 0 H LYS A 91 10.025 -9.409 -11.896 1.00 1.61 H new ATOM 0 HA LYS A 91 7.384 -9.173 -12.458 1.00 2.02 H new ATOM 0 HB2 LYS A 91 6.889 -11.130 -13.885 1.00 2.61 H new ATOM 0 HB3 LYS A 91 7.438 -9.675 -14.691 1.00 2.61 H new ATOM 0 HG2 LYS A 91 9.711 -10.671 -14.936 1.00 2.97 H new ATOM 0 HG3 LYS A 91 9.157 -12.128 -14.135 1.00 2.97 H new ATOM 0 HD2 LYS A 91 8.025 -11.024 -16.738 1.00 3.52 H new ATOM 0 HD3 LYS A 91 9.203 -12.317 -16.627 1.00 3.52 H new ATOM 0 HE2 LYS A 91 6.321 -12.408 -15.651 1.00 4.07 H new ATOM 0 HE3 LYS A 91 6.973 -13.224 -17.059 1.00 4.07 H new ATOM 0 HZ1 LYS A 91 6.978 -14.886 -15.537 1.00 4.70 H new ATOM 0 HZ2 LYS A 91 8.550 -14.289 -15.302 1.00 4.70 H new ATOM 0 HZ3 LYS A 91 7.311 -13.865 -14.222 1.00 4.70 H new ATOM 1500 N ASP A 92 9.326 -11.747 -11.607 1.00 1.83 N ATOM 1501 CA ASP A 92 9.448 -12.973 -10.825 1.00 2.20 C ATOM 1502 C ASP A 92 10.241 -12.648 -9.571 1.00 1.74 C ATOM 1503 O ASP A 92 11.365 -13.100 -9.387 1.00 2.05 O ATOM 1504 CB ASP A 92 10.096 -14.077 -11.676 1.00 2.88 C ATOM 1505 CG ASP A 92 9.233 -14.428 -12.875 1.00 3.94 C ATOM 1506 OD1 ASP A 92 7.991 -14.442 -12.731 1.00 4.39 O ATOM 1507 OD2 ASP A 92 9.767 -14.550 -14.001 1.00 4.93 O ATOM 0 H ASP A 92 10.150 -11.543 -12.172 1.00 1.83 H new ATOM 0 HA ASP A 92 8.472 -13.354 -10.525 1.00 2.20 H new ATOM 0 HB2 ASP A 92 11.078 -13.748 -12.016 1.00 2.88 H new ATOM 0 HB3 ASP A 92 10.252 -14.966 -11.065 1.00 2.88 H new ATOM 1512 N LEU A 93 9.674 -11.781 -8.738 1.00 1.39 N ATOM 1513 CA LEU A 93 10.434 -11.065 -7.730 1.00 1.05 C ATOM 1514 C LEU A 93 11.302 -11.911 -6.796 1.00 0.99 C ATOM 1515 O LEU A 93 12.423 -11.491 -6.508 1.00 1.07 O ATOM 1516 CB LEU A 93 9.601 -9.987 -7.022 1.00 1.45 C ATOM 1517 CG LEU A 93 8.163 -10.332 -6.597 1.00 1.73 C ATOM 1518 CD1 LEU A 93 7.110 -10.229 -7.707 1.00 3.31 C ATOM 1519 CD2 LEU A 93 8.031 -11.685 -5.894 1.00 3.06 C ATOM 0 H LEU A 93 8.679 -11.558 -8.746 1.00 1.39 H new ATOM 0 HA LEU A 93 11.196 -10.540 -8.306 1.00 1.05 H new ATOM 0 HB2 LEU A 93 10.146 -9.680 -6.129 1.00 1.45 H new ATOM 0 HB3 LEU A 93 9.553 -9.120 -7.680 1.00 1.45 H new ATOM 0 HG LEU A 93 7.948 -9.543 -5.877 1.00 1.73 H new ATOM 0 HD11 LEU A 93 6.131 -10.492 -7.306 1.00 3.31 H new ATOM 0 HD12 LEU A 93 7.083 -9.209 -8.090 1.00 3.31 H new ATOM 0 HD13 LEU A 93 7.366 -10.913 -8.516 1.00 3.31 H new ATOM 0 HD21 LEU A 93 6.988 -11.856 -5.626 1.00 3.06 H new ATOM 0 HD22 LEU A 93 8.368 -12.477 -6.563 1.00 3.06 H new ATOM 0 HD23 LEU A 93 8.643 -11.687 -4.992 1.00 3.06 H new ATOM 1531 N LYS A 94 10.862 -13.099 -6.367 1.00 1.28 N ATOM 1532 CA LYS A 94 11.710 -13.914 -5.508 1.00 1.54 C ATOM 1533 C LYS A 94 12.983 -14.401 -6.182 1.00 1.73 C ATOM 1534 O LYS A 94 13.854 -14.913 -5.485 1.00 1.95 O ATOM 1535 CB LYS A 94 11.004 -15.044 -4.748 1.00 2.07 C ATOM 1536 CG LYS A 94 10.623 -16.314 -5.518 1.00 4.07 C ATOM 1537 CD LYS A 94 11.187 -17.594 -4.858 1.00 5.52 C ATOM 1538 CE LYS A 94 12.562 -18.063 -5.379 1.00 7.86 C ATOM 1539 NZ LYS A 94 13.733 -17.455 -4.707 1.00 9.34 N ATOM 0 H LYS A 94 9.953 -13.503 -6.594 1.00 1.28 H new ATOM 0 HA LYS A 94 12.004 -13.201 -4.738 1.00 1.54 H new ATOM 0 HB2 LYS A 94 11.647 -15.339 -3.919 1.00 2.07 H new ATOM 0 HB3 LYS A 94 10.093 -14.633 -4.314 1.00 2.07 H new ATOM 0 HG2 LYS A 94 9.537 -16.387 -5.578 1.00 4.07 H new ATOM 0 HG3 LYS A 94 10.995 -16.241 -6.540 1.00 4.07 H new ATOM 0 HD2 LYS A 94 11.264 -17.424 -3.784 1.00 5.52 H new ATOM 0 HD3 LYS A 94 10.469 -18.402 -5.002 1.00 5.52 H new ATOM 0 HE2 LYS A 94 12.623 -19.146 -5.271 1.00 7.86 H new ATOM 0 HE3 LYS A 94 12.622 -17.845 -6.445 1.00 7.86 H new ATOM 0 HZ1 LYS A 94 14.538 -18.113 -4.749 1.00 9.34 H new ATOM 0 HZ2 LYS A 94 13.986 -16.567 -5.186 1.00 9.34 H new ATOM 0 HZ3 LYS A 94 13.499 -17.258 -3.713 1.00 9.34 H new ATOM 1553 N ILE A 95 13.067 -14.379 -7.513 1.00 1.76 N ATOM 1554 CA ILE A 95 14.101 -15.077 -8.256 1.00 1.92 C ATOM 1555 C ILE A 95 15.537 -14.798 -7.802 1.00 1.96 C ATOM 1556 O ILE A 95 16.388 -15.609 -8.130 1.00 2.12 O ATOM 1557 CB ILE A 95 13.898 -14.854 -9.764 1.00 2.01 C ATOM 1558 CG1 ILE A 95 14.623 -15.915 -10.605 1.00 2.91 C ATOM 1559 CG2 ILE A 95 14.317 -13.433 -10.176 1.00 2.43 C ATOM 1560 CD1 ILE A 95 14.087 -15.924 -12.038 1.00 3.00 C ATOM 0 H ILE A 95 12.410 -13.870 -8.105 1.00 1.76 H new ATOM 0 HA ILE A 95 13.979 -16.136 -8.030 1.00 1.92 H new ATOM 0 HB ILE A 95 12.832 -14.961 -9.965 1.00 2.01 H new ATOM 0 HG12 ILE A 95 15.694 -15.712 -10.613 1.00 2.91 H new ATOM 0 HG13 ILE A 95 14.489 -16.898 -10.154 1.00 2.91 H new ATOM 0 HG21 ILE A 95 14.162 -13.304 -11.247 1.00 2.43 H new ATOM 0 HG22 ILE A 95 13.716 -12.704 -9.632 1.00 2.43 H new ATOM 0 HG23 ILE A 95 15.370 -13.282 -9.941 1.00 2.43 H new ATOM 0 HD11 ILE A 95 14.613 -16.682 -12.618 1.00 3.00 H new ATOM 0 HD12 ILE A 95 13.021 -16.151 -12.026 1.00 3.00 H new ATOM 0 HD13 ILE A 95 14.245 -14.946 -12.492 1.00 3.00 H new ATOM 1572 N ARG A 96 15.808 -13.699 -7.078 1.00 1.90 N ATOM 1573 CA ARG A 96 16.985 -13.448 -6.230 1.00 1.96 C ATOM 1574 C ARG A 96 18.342 -13.859 -6.816 1.00 2.53 C ATOM 1575 O ARG A 96 19.204 -13.010 -7.041 1.00 2.96 O ATOM 1576 CB ARG A 96 16.781 -14.080 -4.845 1.00 1.76 C ATOM 1577 CG ARG A 96 17.706 -13.506 -3.762 1.00 1.96 C ATOM 1578 CD ARG A 96 19.197 -13.894 -3.753 1.00 2.99 C ATOM 1579 NE ARG A 96 20.003 -12.840 -3.118 1.00 3.58 N ATOM 1580 CZ ARG A 96 20.372 -11.681 -3.698 1.00 4.32 C ATOM 1581 NH1 ARG A 96 20.144 -11.451 -4.999 1.00 4.78 N ATOM 1582 NH2 ARG A 96 20.969 -10.739 -2.957 1.00 5.38 N ATOM 0 H ARG A 96 15.165 -12.907 -7.070 1.00 1.90 H new ATOM 0 HA ARG A 96 17.046 -12.362 -6.158 1.00 1.96 H new ATOM 0 HB2 ARG A 96 15.745 -13.936 -4.539 1.00 1.76 H new ATOM 0 HB3 ARG A 96 16.945 -15.155 -4.918 1.00 1.76 H new ATOM 0 HG2 ARG A 96 17.652 -12.419 -3.829 1.00 1.96 H new ATOM 0 HG3 ARG A 96 17.290 -13.787 -2.795 1.00 1.96 H new ATOM 0 HD2 ARG A 96 19.330 -14.834 -3.217 1.00 2.99 H new ATOM 0 HD3 ARG A 96 19.542 -14.058 -4.774 1.00 2.99 H new ATOM 0 HE ARG A 96 20.308 -13.000 -2.158 1.00 3.58 H new ATOM 0 HH11 ARG A 96 19.683 -12.160 -5.569 1.00 4.78 H new ATOM 0 HH12 ARG A 96 20.431 -10.567 -5.419 1.00 4.78 H new ATOM 0 HH21 ARG A 96 21.140 -10.903 -1.965 1.00 5.38 H new ATOM 0 HH22 ARG A 96 21.253 -9.858 -3.385 1.00 5.38 H new ATOM 1681 N GLU B 4 13.554 -16.031 -0.390 1.00 2.41 N ATOM 1682 CA GLU B 4 14.353 -14.917 -0.869 1.00 1.74 C ATOM 1683 C GLU B 4 14.522 -14.006 0.360 1.00 1.58 C ATOM 1684 O GLU B 4 13.753 -14.139 1.314 1.00 2.16 O ATOM 1685 CB GLU B 4 13.652 -14.255 -2.067 1.00 1.60 C ATOM 1686 CG GLU B 4 12.269 -13.670 -1.752 1.00 2.36 C ATOM 1687 CD GLU B 4 11.252 -14.658 -1.191 1.00 4.79 C ATOM 1688 OE1 GLU B 4 10.984 -15.705 -1.827 1.00 6.14 O ATOM 1689 OE2 GLU B 4 10.810 -14.383 -0.063 1.00 5.92 O ATOM 0 HA GLU B 4 15.335 -15.197 -1.252 1.00 1.74 H new ATOM 0 HB2 GLU B 4 14.290 -13.459 -2.451 1.00 1.60 H new ATOM 0 HB3 GLU B 4 13.548 -14.992 -2.863 1.00 1.60 H new ATOM 0 HG2 GLU B 4 12.392 -12.856 -1.037 1.00 2.36 H new ATOM 0 HG3 GLU B 4 11.861 -13.234 -2.664 1.00 2.36 H new ATOM 1696 N PRO B 5 15.470 -13.059 0.396 1.00 1.48 N ATOM 1697 CA PRO B 5 15.638 -12.186 1.546 1.00 1.75 C ATOM 1698 C PRO B 5 14.600 -11.053 1.539 1.00 1.58 C ATOM 1699 O PRO B 5 14.968 -9.901 1.758 1.00 1.86 O ATOM 1700 CB PRO B 5 17.082 -11.681 1.428 1.00 2.45 C ATOM 1701 CG PRO B 5 17.282 -11.602 -0.084 1.00 2.50 C ATOM 1702 CD PRO B 5 16.500 -12.813 -0.590 1.00 1.79 C ATOM 0 HA PRO B 5 15.475 -12.694 2.497 1.00 1.75 H new ATOM 0 HB2 PRO B 5 17.213 -10.710 1.906 1.00 2.45 H new ATOM 0 HB3 PRO B 5 17.790 -12.365 1.896 1.00 2.45 H new ATOM 0 HG2 PRO B 5 16.895 -10.670 -0.495 1.00 2.50 H new ATOM 0 HG3 PRO B 5 18.336 -11.658 -0.357 1.00 2.50 H new ATOM 0 HD2 PRO B 5 16.064 -12.615 -1.569 1.00 1.79 H new ATOM 0 HD3 PRO B 5 17.151 -13.680 -0.700 1.00 1.79 H new ATOM 1710 N LEU B 6 13.313 -11.359 1.312 1.00 1.38 N ATOM 1711 CA LEU B 6 12.245 -10.376 1.478 1.00 1.35 C ATOM 1712 C LEU B 6 11.611 -10.500 2.855 1.00 1.21 C ATOM 1713 O LEU B 6 11.717 -11.533 3.525 1.00 1.46 O ATOM 1714 CB LEU B 6 11.206 -10.429 0.350 1.00 1.44 C ATOM 1715 CG LEU B 6 10.066 -11.453 0.480 1.00 1.42 C ATOM 1716 CD1 LEU B 6 8.861 -10.977 1.302 1.00 2.17 C ATOM 1717 CD2 LEU B 6 9.500 -11.710 -0.918 1.00 2.24 C ATOM 0 H LEU B 6 12.993 -12.280 1.013 1.00 1.38 H new ATOM 0 HA LEU B 6 12.700 -9.388 1.407 1.00 1.35 H new ATOM 0 HB2 LEU B 6 10.759 -9.439 0.258 1.00 1.44 H new ATOM 0 HB3 LEU B 6 11.733 -10.629 -0.583 1.00 1.44 H new ATOM 0 HG LEU B 6 10.509 -12.317 0.975 1.00 1.42 H new ATOM 0 HD11 LEU B 6 8.110 -11.766 1.337 1.00 2.17 H new ATOM 0 HD12 LEU B 6 9.184 -10.737 2.315 1.00 2.17 H new ATOM 0 HD13 LEU B 6 8.432 -10.089 0.838 1.00 2.17 H new ATOM 0 HD21 LEU B 6 8.688 -12.434 -0.854 1.00 2.24 H new ATOM 0 HD22 LEU B 6 9.122 -10.777 -1.335 1.00 2.24 H new ATOM 0 HD23 LEU B 6 10.287 -12.102 -1.563 1.00 2.24 H new ATOM 1729 N THR B 7 10.933 -9.429 3.258 1.00 1.05 N ATOM 1730 CA THR B 7 10.212 -9.288 4.509 1.00 1.00 C ATOM 1731 C THR B 7 8.819 -8.750 4.186 1.00 0.99 C ATOM 1732 O THR B 7 8.618 -8.198 3.106 1.00 1.13 O ATOM 1733 CB THR B 7 10.954 -8.244 5.343 1.00 0.98 C ATOM 1734 OG1 THR B 7 12.355 -8.393 5.214 1.00 1.49 O ATOM 1735 CG2 THR B 7 10.586 -8.241 6.825 1.00 1.02 C ATOM 0 H THR B 7 10.872 -8.589 2.682 1.00 1.05 H new ATOM 0 HA THR B 7 10.141 -10.236 5.043 1.00 1.00 H new ATOM 0 HB THR B 7 10.632 -7.285 4.936 1.00 0.98 H new ATOM 0 HG1 THR B 7 12.806 -7.824 5.872 1.00 1.49 H new ATOM 0 HG21 THR B 7 11.159 -7.470 7.341 1.00 1.02 H new ATOM 0 HG22 THR B 7 9.521 -8.036 6.935 1.00 1.02 H new ATOM 0 HG23 THR B 7 10.815 -9.214 7.259 1.00 1.02 H new ATOM 1743 N GLU B 8 7.913 -8.810 5.155 1.00 0.98 N ATOM 1744 CA GLU B 8 6.551 -8.300 5.127 1.00 1.03 C ATOM 1745 C GLU B 8 6.421 -6.951 4.391 1.00 1.07 C ATOM 1746 O GLU B 8 5.468 -6.740 3.637 1.00 1.21 O ATOM 1747 CB GLU B 8 6.039 -8.186 6.572 1.00 1.13 C ATOM 1748 CG GLU B 8 6.087 -9.512 7.358 1.00 1.52 C ATOM 1749 CD GLU B 8 7.416 -9.766 8.062 1.00 2.19 C ATOM 1750 OE1 GLU B 8 8.333 -10.270 7.374 1.00 3.36 O ATOM 1751 OE2 GLU B 8 7.510 -9.413 9.255 1.00 2.76 O ATOM 0 H GLU B 8 8.130 -9.251 6.049 1.00 0.98 H new ATOM 0 HA GLU B 8 5.941 -9.003 4.560 1.00 1.03 H new ATOM 0 HB2 GLU B 8 6.633 -7.440 7.100 1.00 1.13 H new ATOM 0 HB3 GLU B 8 5.012 -7.822 6.556 1.00 1.13 H new ATOM 0 HG2 GLU B 8 5.288 -9.512 8.100 1.00 1.52 H new ATOM 0 HG3 GLU B 8 5.886 -10.336 6.673 1.00 1.52 H new ATOM 1758 N LEU B 9 7.380 -6.032 4.584 1.00 1.06 N ATOM 1759 CA LEU B 9 7.342 -4.725 3.938 1.00 1.18 C ATOM 1760 C LEU B 9 7.335 -4.894 2.414 1.00 1.26 C ATOM 1761 O LEU B 9 6.498 -4.321 1.719 1.00 1.50 O ATOM 1762 CB LEU B 9 8.541 -3.865 4.376 1.00 1.32 C ATOM 1763 CG LEU B 9 8.476 -3.381 5.838 1.00 1.23 C ATOM 1764 CD1 LEU B 9 8.727 -4.478 6.884 1.00 2.78 C ATOM 1765 CD2 LEU B 9 9.394 -2.177 6.077 1.00 2.64 C ATOM 0 H LEU B 9 8.191 -6.178 5.186 1.00 1.06 H new ATOM 0 HA LEU B 9 6.428 -4.214 4.242 1.00 1.18 H new ATOM 0 HB2 LEU B 9 9.456 -4.441 4.237 1.00 1.32 H new ATOM 0 HB3 LEU B 9 8.608 -2.996 3.721 1.00 1.32 H new ATOM 0 HG LEU B 9 7.442 -3.069 5.982 1.00 1.23 H new ATOM 0 HD11 LEU B 9 8.662 -4.049 7.884 1.00 2.78 H new ATOM 0 HD12 LEU B 9 7.977 -5.262 6.776 1.00 2.78 H new ATOM 0 HD13 LEU B 9 9.720 -4.903 6.735 1.00 2.78 H new ATOM 0 HD21 LEU B 9 9.321 -1.865 7.119 1.00 2.64 H new ATOM 0 HD22 LEU B 9 10.424 -2.455 5.853 1.00 2.64 H new ATOM 0 HD23 LEU B 9 9.091 -1.354 5.429 1.00 2.64 H new ATOM 1777 N GLU B 10 8.274 -5.699 1.912 1.00 1.16 N ATOM 1778 CA GLU B 10 8.409 -6.028 0.502 1.00 1.23 C ATOM 1779 C GLU B 10 7.208 -6.877 0.082 1.00 1.19 C ATOM 1780 O GLU B 10 6.540 -6.588 -0.915 1.00 1.27 O ATOM 1781 CB GLU B 10 9.765 -6.732 0.321 1.00 1.17 C ATOM 1782 CG GLU B 10 10.090 -7.359 -1.047 1.00 1.44 C ATOM 1783 CD GLU B 10 10.018 -6.428 -2.244 1.00 1.91 C ATOM 1784 OE1 GLU B 10 8.986 -5.732 -2.361 1.00 2.40 O ATOM 1785 OE2 GLU B 10 10.965 -6.443 -3.059 1.00 3.20 O ATOM 0 H GLU B 10 8.978 -6.150 2.496 1.00 1.16 H new ATOM 0 HA GLU B 10 8.405 -5.149 -0.143 1.00 1.23 H new ATOM 0 HB2 GLU B 10 10.547 -6.008 0.548 1.00 1.17 H new ATOM 0 HB3 GLU B 10 9.832 -7.520 1.071 1.00 1.17 H new ATOM 0 HG2 GLU B 10 11.094 -7.781 -1.001 1.00 1.44 H new ATOM 0 HG3 GLU B 10 9.403 -8.188 -1.216 1.00 1.44 H new ATOM 1792 N GLU B 11 6.895 -7.894 0.897 1.00 1.14 N ATOM 1793 CA GLU B 11 5.793 -8.820 0.665 1.00 1.16 C ATOM 1794 C GLU B 11 4.521 -8.058 0.285 1.00 1.16 C ATOM 1795 O GLU B 11 3.879 -8.358 -0.721 1.00 1.39 O ATOM 1796 CB GLU B 11 5.568 -9.694 1.908 1.00 1.16 C ATOM 1797 CG GLU B 11 4.857 -11.011 1.572 1.00 1.55 C ATOM 1798 CD GLU B 11 4.783 -11.932 2.784 1.00 1.99 C ATOM 1799 OE1 GLU B 11 4.557 -11.400 3.892 1.00 3.38 O ATOM 1800 OE2 GLU B 11 4.984 -13.151 2.594 1.00 2.62 O ATOM 0 H GLU B 11 7.415 -8.094 1.751 1.00 1.14 H new ATOM 0 HA GLU B 11 6.050 -9.473 -0.169 1.00 1.16 H new ATOM 0 HB2 GLU B 11 6.528 -9.911 2.376 1.00 1.16 H new ATOM 0 HB3 GLU B 11 4.977 -9.140 2.637 1.00 1.16 H new ATOM 0 HG2 GLU B 11 3.850 -10.800 1.212 1.00 1.55 H new ATOM 0 HG3 GLU B 11 5.386 -11.515 0.763 1.00 1.55 H new ATOM 1807 N SER B 12 4.196 -7.012 1.055 1.00 1.00 N ATOM 1808 CA SER B 12 2.960 -6.265 0.874 1.00 1.00 C ATOM 1809 C SER B 12 2.859 -5.733 -0.558 1.00 0.92 C ATOM 1810 O SER B 12 1.787 -5.688 -1.163 1.00 0.98 O ATOM 1811 CB SER B 12 2.912 -5.113 1.883 1.00 1.17 C ATOM 1812 OG SER B 12 2.954 -5.602 3.210 1.00 1.78 O ATOM 0 H SER B 12 4.783 -6.667 1.814 1.00 1.00 H new ATOM 0 HA SER B 12 2.111 -6.927 1.046 1.00 1.00 H new ATOM 0 HB2 SER B 12 3.752 -4.440 1.713 1.00 1.17 H new ATOM 0 HB3 SER B 12 2.002 -4.531 1.734 1.00 1.17 H new ATOM 0 HG SER B 12 3.845 -5.965 3.397 1.00 1.78 H new ATOM 1818 N ILE B 13 3.994 -5.315 -1.111 1.00 0.89 N ATOM 1819 CA ILE B 13 4.036 -4.685 -2.413 1.00 0.87 C ATOM 1820 C ILE B 13 3.824 -5.743 -3.490 1.00 0.83 C ATOM 1821 O ILE B 13 3.073 -5.502 -4.437 1.00 0.84 O ATOM 1822 CB ILE B 13 5.354 -3.910 -2.535 1.00 0.89 C ATOM 1823 CG1 ILE B 13 5.323 -2.767 -1.507 1.00 1.08 C ATOM 1824 CG2 ILE B 13 5.629 -3.319 -3.923 1.00 0.89 C ATOM 1825 CD1 ILE B 13 6.727 -2.437 -1.058 1.00 0.92 C ATOM 0 H ILE B 13 4.906 -5.407 -0.664 1.00 0.89 H new ATOM 0 HA ILE B 13 3.233 -3.960 -2.545 1.00 0.87 H new ATOM 0 HB ILE B 13 6.157 -4.625 -2.355 1.00 0.89 H new ATOM 0 HG12 ILE B 13 4.856 -1.885 -1.946 1.00 1.08 H new ATOM 0 HG13 ILE B 13 4.716 -3.055 -0.649 1.00 1.08 H new ATOM 0 HG21 ILE B 13 6.582 -2.790 -3.911 1.00 0.89 H new ATOM 0 HG22 ILE B 13 5.669 -4.122 -4.659 1.00 0.89 H new ATOM 0 HG23 ILE B 13 4.832 -2.624 -4.187 1.00 0.89 H new ATOM 0 HD11 ILE B 13 6.695 -1.626 -0.330 1.00 0.92 H new ATOM 0 HD12 ILE B 13 7.179 -3.317 -0.601 1.00 0.92 H new ATOM 0 HD13 ILE B 13 7.321 -2.129 -1.918 1.00 0.92 H new ATOM 1837 N GLU B 14 4.452 -6.919 -3.346 1.00 0.83 N ATOM 1838 CA GLU B 14 4.188 -8.020 -4.268 1.00 0.86 C ATOM 1839 C GLU B 14 2.719 -8.439 -4.215 1.00 0.79 C ATOM 1840 O GLU B 14 2.106 -8.661 -5.262 1.00 0.86 O ATOM 1841 CB GLU B 14 5.169 -9.193 -4.186 1.00 1.13 C ATOM 1842 CG GLU B 14 5.828 -9.474 -2.839 1.00 1.27 C ATOM 1843 CD GLU B 14 7.149 -10.172 -3.070 1.00 2.55 C ATOM 1844 OE1 GLU B 14 8.077 -9.422 -3.454 1.00 4.04 O ATOM 1845 OE2 GLU B 14 7.186 -11.410 -2.945 1.00 3.01 O ATOM 0 H GLU B 14 5.132 -7.125 -2.614 1.00 0.83 H new ATOM 0 HA GLU B 14 4.381 -7.624 -5.265 1.00 0.86 H new ATOM 0 HB2 GLU B 14 4.640 -10.095 -4.495 1.00 1.13 H new ATOM 0 HB3 GLU B 14 5.959 -9.021 -4.917 1.00 1.13 H new ATOM 0 HG2 GLU B 14 5.985 -8.542 -2.296 1.00 1.27 H new ATOM 0 HG3 GLU B 14 5.177 -10.095 -2.224 1.00 1.27 H new ATOM 1852 N THR B 15 2.144 -8.486 -3.011 1.00 0.75 N ATOM 1853 CA THR B 15 0.721 -8.734 -2.827 1.00 0.83 C ATOM 1854 C THR B 15 -0.080 -7.754 -3.678 1.00 0.75 C ATOM 1855 O THR B 15 -0.867 -8.183 -4.520 1.00 0.79 O ATOM 1856 CB THR B 15 0.305 -8.661 -1.351 1.00 0.99 C ATOM 1857 OG1 THR B 15 1.183 -9.439 -0.567 1.00 1.23 O ATOM 1858 CG2 THR B 15 -1.128 -9.175 -1.177 1.00 1.05 C ATOM 0 H THR B 15 2.656 -8.353 -2.139 1.00 0.75 H new ATOM 0 HA THR B 15 0.507 -9.751 -3.155 1.00 0.83 H new ATOM 0 HB THR B 15 0.352 -7.622 -1.026 1.00 0.99 H new ATOM 0 HG1 THR B 15 2.048 -8.984 -0.495 1.00 1.23 H new ATOM 0 HG21 THR B 15 -1.410 -9.118 -0.126 1.00 1.05 H new ATOM 0 HG22 THR B 15 -1.808 -8.563 -1.769 1.00 1.05 H new ATOM 0 HG23 THR B 15 -1.186 -10.211 -1.512 1.00 1.05 H new ATOM 1866 N VAL B 16 0.126 -6.445 -3.509 1.00 0.69 N ATOM 1867 CA VAL B 16 -0.599 -5.466 -4.297 1.00 0.64 C ATOM 1868 C VAL B 16 -0.413 -5.727 -5.799 1.00 0.63 C ATOM 1869 O VAL B 16 -1.395 -5.922 -6.514 1.00 0.67 O ATOM 1870 CB VAL B 16 -0.181 -4.047 -3.891 1.00 0.62 C ATOM 1871 CG1 VAL B 16 -0.768 -3.047 -4.881 1.00 0.60 C ATOM 1872 CG2 VAL B 16 -0.671 -3.679 -2.487 1.00 0.83 C ATOM 0 H VAL B 16 0.784 -6.049 -2.838 1.00 0.69 H new ATOM 0 HA VAL B 16 -1.666 -5.562 -4.094 1.00 0.64 H new ATOM 0 HB VAL B 16 0.909 -4.015 -3.894 1.00 0.62 H new ATOM 0 HG11 VAL B 16 -0.473 -2.037 -4.596 1.00 0.60 H new ATOM 0 HG12 VAL B 16 -0.396 -3.265 -5.882 1.00 0.60 H new ATOM 0 HG13 VAL B 16 -1.855 -3.123 -4.874 1.00 0.60 H new ATOM 0 HG21 VAL B 16 -0.351 -2.666 -2.244 1.00 0.83 H new ATOM 0 HG22 VAL B 16 -1.759 -3.733 -2.456 1.00 0.83 H new ATOM 0 HG23 VAL B 16 -0.252 -4.376 -1.761 1.00 0.83 H new ATOM 1882 N VAL B 17 0.824 -5.714 -6.306 1.00 0.69 N ATOM 1883 CA VAL B 17 1.061 -5.816 -7.750 1.00 0.81 C ATOM 1884 C VAL B 17 0.501 -7.113 -8.348 1.00 0.80 C ATOM 1885 O VAL B 17 -0.004 -7.085 -9.476 1.00 0.84 O ATOM 1886 CB VAL B 17 2.528 -5.559 -8.129 1.00 0.79 C ATOM 1887 CG1 VAL B 17 2.987 -4.167 -7.671 1.00 1.01 C ATOM 1888 CG2 VAL B 17 3.425 -6.633 -7.535 1.00 0.85 C ATOM 0 H VAL B 17 1.671 -5.635 -5.743 1.00 0.69 H new ATOM 0 HA VAL B 17 0.493 -5.008 -8.212 1.00 0.81 H new ATOM 0 HB VAL B 17 2.604 -5.597 -9.216 1.00 0.79 H new ATOM 0 HG11 VAL B 17 4.029 -4.016 -7.954 1.00 1.01 H new ATOM 0 HG12 VAL B 17 2.368 -3.405 -8.145 1.00 1.01 H new ATOM 0 HG13 VAL B 17 2.890 -4.090 -6.588 1.00 1.01 H new ATOM 0 HG21 VAL B 17 4.461 -6.437 -7.813 1.00 0.85 H new ATOM 0 HG22 VAL B 17 3.333 -6.625 -6.449 1.00 0.85 H new ATOM 0 HG23 VAL B 17 3.126 -7.609 -7.917 1.00 0.85 H new ATOM 1898 N THR B 18 0.562 -8.240 -7.629 1.00 0.80 N ATOM 1899 CA THR B 18 -0.067 -9.461 -8.119 1.00 0.86 C ATOM 1900 C THR B 18 -1.592 -9.342 -8.023 1.00 0.87 C ATOM 1901 O THR B 18 -2.295 -9.750 -8.947 1.00 1.01 O ATOM 1902 CB THR B 18 0.516 -10.727 -7.463 1.00 1.01 C ATOM 1903 OG1 THR B 18 0.312 -11.835 -8.316 1.00 1.83 O ATOM 1904 CG2 THR B 18 -0.060 -11.068 -6.088 1.00 1.19 C ATOM 0 H THR B 18 1.030 -8.328 -6.727 1.00 0.80 H new ATOM 0 HA THR B 18 0.170 -9.580 -9.176 1.00 0.86 H new ATOM 0 HB THR B 18 1.573 -10.509 -7.310 1.00 1.01 H new ATOM 0 HG1 THR B 18 0.684 -12.641 -7.900 1.00 1.83 H new ATOM 0 HG21 THR B 18 0.413 -11.974 -5.710 1.00 1.19 H new ATOM 0 HG22 THR B 18 0.130 -10.245 -5.399 1.00 1.19 H new ATOM 0 HG23 THR B 18 -1.135 -11.228 -6.173 1.00 1.19 H new ATOM 1912 N THR B 19 -2.116 -8.745 -6.947 1.00 0.82 N ATOM 1913 CA THR B 19 -3.551 -8.556 -6.791 1.00 0.91 C ATOM 1914 C THR B 19 -4.106 -7.722 -7.948 1.00 0.97 C ATOM 1915 O THR B 19 -5.133 -8.078 -8.519 1.00 1.04 O ATOM 1916 CB THR B 19 -3.859 -7.965 -5.410 1.00 0.98 C ATOM 1917 OG1 THR B 19 -3.470 -8.893 -4.421 1.00 1.08 O ATOM 1918 CG2 THR B 19 -5.350 -7.706 -5.227 1.00 1.16 C ATOM 0 H THR B 19 -1.560 -8.385 -6.171 1.00 0.82 H new ATOM 0 HA THR B 19 -4.059 -9.519 -6.836 1.00 0.91 H new ATOM 0 HB THR B 19 -3.318 -7.023 -5.324 1.00 0.98 H new ATOM 0 HG1 THR B 19 -2.504 -8.825 -4.270 1.00 1.08 H new ATOM 0 HG21 THR B 19 -5.528 -7.287 -4.236 1.00 1.16 H new ATOM 0 HG22 THR B 19 -5.693 -7.002 -5.985 1.00 1.16 H new ATOM 0 HG23 THR B 19 -5.897 -8.643 -5.328 1.00 1.16 H new ATOM 1926 N PHE B 20 -3.410 -6.653 -8.353 1.00 0.99 N ATOM 1927 CA PHE B 20 -3.738 -5.955 -9.588 1.00 1.06 C ATOM 1928 C PHE B 20 -3.870 -6.907 -10.769 1.00 1.14 C ATOM 1929 O PHE B 20 -4.775 -6.737 -11.576 1.00 1.34 O ATOM 1930 CB PHE B 20 -2.671 -4.920 -9.935 1.00 1.05 C ATOM 1931 CG PHE B 20 -2.835 -3.606 -9.224 1.00 1.00 C ATOM 1932 CD1 PHE B 20 -3.813 -2.711 -9.683 1.00 2.49 C ATOM 1933 CD2 PHE B 20 -1.881 -3.185 -8.284 1.00 1.97 C ATOM 1934 CE1 PHE B 20 -3.754 -1.371 -9.289 1.00 2.54 C ATOM 1935 CE2 PHE B 20 -1.778 -1.831 -7.947 1.00 1.88 C ATOM 1936 CZ PHE B 20 -2.683 -0.923 -8.504 1.00 0.98 C ATOM 0 H PHE B 20 -2.620 -6.259 -7.842 1.00 0.99 H new ATOM 0 HA PHE B 20 -4.696 -5.467 -9.411 1.00 1.06 H new ATOM 0 HB2 PHE B 20 -1.690 -5.331 -9.695 1.00 1.05 H new ATOM 0 HB3 PHE B 20 -2.688 -4.743 -11.010 1.00 1.05 H new ATOM 0 HD1 PHE B 20 -4.603 -3.054 -10.334 1.00 2.49 H new ATOM 0 HD2 PHE B 20 -1.226 -3.907 -7.820 1.00 1.97 H new ATOM 0 HE1 PHE B 20 -4.531 -0.683 -9.589 1.00 2.54 H new ATOM 0 HE2 PHE B 20 -1.011 -1.492 -7.267 1.00 1.88 H new ATOM 0 HZ PHE B 20 -2.556 0.135 -8.328 1.00 0.98 H new ATOM 1946 N PHE B 21 -2.948 -7.863 -10.924 1.00 1.07 N ATOM 1947 CA PHE B 21 -3.053 -8.825 -12.012 1.00 1.21 C ATOM 1948 C PHE B 21 -4.374 -9.582 -11.877 1.00 1.28 C ATOM 1949 O PHE B 21 -5.202 -9.586 -12.787 1.00 1.60 O ATOM 1950 CB PHE B 21 -1.837 -9.760 -12.050 1.00 1.26 C ATOM 1951 CG PHE B 21 -1.602 -10.367 -13.419 1.00 1.76 C ATOM 1952 CD1 PHE B 21 -2.318 -11.512 -13.815 1.00 3.08 C ATOM 1953 CD2 PHE B 21 -0.702 -9.759 -14.317 1.00 2.78 C ATOM 1954 CE1 PHE B 21 -2.100 -12.072 -15.086 1.00 3.78 C ATOM 1955 CE2 PHE B 21 -0.506 -10.306 -15.597 1.00 3.49 C ATOM 1956 CZ PHE B 21 -1.194 -11.471 -15.975 1.00 3.53 C ATOM 0 H PHE B 21 -2.136 -7.986 -10.319 1.00 1.07 H new ATOM 0 HA PHE B 21 -3.053 -8.301 -12.968 1.00 1.21 H new ATOM 0 HB2 PHE B 21 -0.949 -9.205 -11.747 1.00 1.26 H new ATOM 0 HB3 PHE B 21 -1.977 -10.560 -11.323 1.00 1.26 H new ATOM 0 HD1 PHE B 21 -3.035 -11.960 -13.143 1.00 3.08 H new ATOM 0 HD2 PHE B 21 -0.162 -8.872 -14.021 1.00 2.78 H new ATOM 0 HE1 PHE B 21 -2.630 -12.966 -15.379 1.00 3.78 H new ATOM 0 HE2 PHE B 21 0.173 -9.831 -16.289 1.00 3.49 H new ATOM 0 HZ PHE B 21 -1.026 -11.905 -16.950 1.00 3.53 H new ATOM 1966 N THR B 22 -4.617 -10.155 -10.698 1.00 1.21 N ATOM 1967 CA THR B 22 -5.833 -10.908 -10.434 1.00 1.46 C ATOM 1968 C THR B 22 -6.967 -9.946 -10.047 1.00 1.52 C ATOM 1969 O THR B 22 -7.567 -10.085 -8.985 1.00 1.77 O ATOM 1970 CB THR B 22 -5.527 -11.929 -9.323 1.00 1.80 C ATOM 1971 OG1 THR B 22 -4.259 -12.515 -9.563 1.00 2.46 O ATOM 1972 CG2 THR B 22 -6.570 -13.052 -9.269 1.00 2.35 C ATOM 0 H THR B 22 -3.977 -10.108 -9.905 1.00 1.21 H new ATOM 0 HA THR B 22 -6.166 -11.447 -11.321 1.00 1.46 H new ATOM 0 HB THR B 22 -5.545 -11.394 -8.374 1.00 1.80 H new ATOM 0 HG1 THR B 22 -4.060 -13.164 -8.857 1.00 2.46 H new ATOM 0 HG21 THR B 22 -6.314 -13.749 -8.471 1.00 2.35 H new ATOM 0 HG22 THR B 22 -7.554 -12.625 -9.076 1.00 2.35 H new ATOM 0 HG23 THR B 22 -6.584 -13.581 -10.222 1.00 2.35 H new ATOM 2097 N LYS B 30 -2.521 -4.217 -17.329 1.00 1.50 N ATOM 2098 CA LYS B 30 -1.625 -3.082 -17.548 1.00 1.66 C ATOM 2099 C LYS B 30 -0.982 -2.644 -16.222 1.00 1.63 C ATOM 2100 O LYS B 30 0.019 -3.223 -15.793 1.00 2.48 O ATOM 2101 CB LYS B 30 -2.381 -1.947 -18.257 1.00 2.02 C ATOM 2102 CG LYS B 30 -2.799 -2.355 -19.678 1.00 2.41 C ATOM 2103 CD LYS B 30 -3.388 -1.177 -20.472 1.00 2.85 C ATOM 2104 CE LYS B 30 -4.700 -0.656 -19.859 1.00 2.97 C ATOM 2105 NZ LYS B 30 -5.315 0.415 -20.673 1.00 3.76 N ATOM 0 HA LYS B 30 -0.807 -3.377 -18.205 1.00 1.66 H new ATOM 0 HB2 LYS B 30 -3.265 -1.680 -17.678 1.00 2.02 H new ATOM 0 HB3 LYS B 30 -1.750 -1.060 -18.302 1.00 2.02 H new ATOM 0 HG2 LYS B 30 -1.934 -2.752 -20.209 1.00 2.41 H new ATOM 0 HG3 LYS B 30 -3.535 -3.157 -19.622 1.00 2.41 H new ATOM 0 HD2 LYS B 30 -2.660 -0.367 -20.509 1.00 2.85 H new ATOM 0 HD3 LYS B 30 -3.569 -1.490 -21.500 1.00 2.85 H new ATOM 0 HE2 LYS B 30 -5.404 -1.482 -19.758 1.00 2.97 H new ATOM 0 HE3 LYS B 30 -4.505 -0.279 -18.855 1.00 2.97 H new ATOM 0 HZ1 LYS B 30 -6.195 0.733 -20.220 1.00 3.76 H new ATOM 0 HZ2 LYS B 30 -4.656 1.216 -20.749 1.00 3.76 H new ATOM 0 HZ3 LYS B 30 -5.527 0.050 -21.624 1.00 3.76 H new ATOM 2119 N ASP B 31 -1.585 -1.661 -15.543 1.00 1.21 N ATOM 2120 CA ASP B 31 -1.097 -1.099 -14.288 1.00 1.16 C ATOM 2121 C ASP B 31 -2.234 -1.117 -13.268 1.00 1.13 C ATOM 2122 O ASP B 31 -2.397 -2.101 -12.551 1.00 1.33 O ATOM 2123 CB ASP B 31 -0.550 0.317 -14.529 1.00 1.28 C ATOM 2124 CG ASP B 31 0.768 0.283 -15.285 1.00 1.77 C ATOM 2125 OD1 ASP B 31 1.754 -0.181 -14.671 1.00 2.93 O ATOM 2126 OD2 ASP B 31 0.763 0.721 -16.455 1.00 2.39 O ATOM 0 H ASP B 31 -2.450 -1.226 -15.864 1.00 1.21 H new ATOM 0 HA ASP B 31 -0.275 -1.695 -13.891 1.00 1.16 H new ATOM 0 HB2 ASP B 31 -1.279 0.899 -15.093 1.00 1.28 H new ATOM 0 HB3 ASP B 31 -0.410 0.822 -13.573 1.00 1.28 H new ATOM 2131 N SER B 32 -3.039 -0.053 -13.250 1.00 1.20 N ATOM 2132 CA SER B 32 -4.311 0.002 -12.549 1.00 1.14 C ATOM 2133 C SER B 32 -5.432 0.049 -13.592 1.00 1.04 C ATOM 2134 O SER B 32 -5.188 -0.155 -14.783 1.00 1.31 O ATOM 2135 CB SER B 32 -4.338 1.226 -11.621 1.00 1.21 C ATOM 2136 OG SER B 32 -3.182 1.299 -10.811 1.00 2.32 O ATOM 0 H SER B 32 -2.813 0.814 -13.737 1.00 1.20 H new ATOM 0 HA SER B 32 -4.452 -0.880 -11.924 1.00 1.14 H new ATOM 0 HB2 SER B 32 -4.420 2.133 -12.219 1.00 1.21 H new ATOM 0 HB3 SER B 32 -5.223 1.181 -10.987 1.00 1.21 H new ATOM 0 HG SER B 32 -3.166 0.538 -10.194 1.00 2.32 H new ATOM 2142 N LEU B 33 -6.658 0.299 -13.133 1.00 0.84 N ATOM 2143 CA LEU B 33 -7.846 0.393 -13.962 1.00 0.90 C ATOM 2144 C LEU B 33 -8.065 1.866 -14.326 1.00 0.85 C ATOM 2145 O LEU B 33 -7.119 2.655 -14.284 1.00 0.89 O ATOM 2146 CB LEU B 33 -9.029 -0.198 -13.175 1.00 0.99 C ATOM 2147 CG LEU B 33 -8.885 -1.658 -12.715 1.00 1.17 C ATOM 2148 CD1 LEU B 33 -8.265 -2.573 -13.777 1.00 2.01 C ATOM 2149 CD2 LEU B 33 -8.138 -1.768 -11.384 1.00 1.04 C ATOM 0 H LEU B 33 -6.851 0.445 -12.142 1.00 0.84 H new ATOM 0 HA LEU B 33 -7.744 -0.169 -14.890 1.00 0.90 H new ATOM 0 HB2 LEU B 33 -9.197 0.422 -12.295 1.00 0.99 H new ATOM 0 HB3 LEU B 33 -9.923 -0.122 -13.794 1.00 0.99 H new ATOM 0 HG LEU B 33 -9.903 -2.016 -12.559 1.00 1.17 H new ATOM 0 HD11 LEU B 33 -8.193 -3.588 -13.386 1.00 2.01 H new ATOM 0 HD12 LEU B 33 -8.891 -2.572 -14.669 1.00 2.01 H new ATOM 0 HD13 LEU B 33 -7.269 -2.211 -14.033 1.00 2.01 H new ATOM 0 HD21 LEU B 33 -8.059 -2.816 -11.097 1.00 1.04 H new ATOM 0 HD22 LEU B 33 -7.139 -1.345 -11.491 1.00 1.04 H new ATOM 0 HD23 LEU B 33 -8.683 -1.221 -10.615 1.00 1.04 H new ATOM 2161 N SER B 34 -9.300 2.258 -14.646 1.00 0.87 N ATOM 2162 CA SER B 34 -9.660 3.667 -14.722 1.00 0.84 C ATOM 2163 C SER B 34 -9.872 4.199 -13.301 1.00 0.80 C ATOM 2164 O SER B 34 -9.906 3.433 -12.338 1.00 0.88 O ATOM 2165 CB SER B 34 -10.895 3.869 -15.612 1.00 0.93 C ATOM 2166 OG SER B 34 -10.880 2.961 -16.695 1.00 1.61 O ATOM 0 H SER B 34 -10.064 1.616 -14.856 1.00 0.87 H new ATOM 0 HA SER B 34 -8.853 4.234 -15.186 1.00 0.84 H new ATOM 0 HB2 SER B 34 -11.801 3.727 -15.024 1.00 0.93 H new ATOM 0 HB3 SER B 34 -10.916 4.892 -15.988 1.00 0.93 H new ATOM 0 HG SER B 34 -11.302 2.120 -16.422 1.00 1.61 H new ATOM 2172 N VAL B 35 -10.004 5.514 -13.147 1.00 0.76 N ATOM 2173 CA VAL B 35 -9.966 6.144 -11.829 1.00 0.78 C ATOM 2174 C VAL B 35 -11.232 5.849 -11.004 1.00 0.73 C ATOM 2175 O VAL B 35 -11.161 5.268 -9.920 1.00 0.76 O ATOM 2176 CB VAL B 35 -9.755 7.644 -12.033 1.00 0.92 C ATOM 2177 CG1 VAL B 35 -9.678 8.398 -10.713 1.00 1.08 C ATOM 2178 CG2 VAL B 35 -8.503 7.977 -12.853 1.00 1.00 C ATOM 0 H VAL B 35 -10.139 6.166 -13.920 1.00 0.76 H new ATOM 0 HA VAL B 35 -9.142 5.728 -11.249 1.00 0.78 H new ATOM 0 HB VAL B 35 -10.632 7.967 -12.593 1.00 0.92 H new ATOM 0 HG11 VAL B 35 -9.528 9.460 -10.909 1.00 1.08 H new ATOM 0 HG12 VAL B 35 -10.607 8.259 -10.160 1.00 1.08 H new ATOM 0 HG13 VAL B 35 -8.844 8.016 -10.124 1.00 1.08 H new ATOM 0 HG21 VAL B 35 -8.415 9.058 -12.959 1.00 1.00 H new ATOM 0 HG22 VAL B 35 -7.621 7.589 -12.344 1.00 1.00 H new ATOM 0 HG23 VAL B 35 -8.582 7.521 -13.840 1.00 1.00 H new ATOM 2188 N ASN B 36 -12.409 6.254 -11.494 1.00 0.75 N ATOM 2189 CA ASN B 36 -13.669 5.956 -10.809 1.00 0.85 C ATOM 2190 C ASN B 36 -13.833 4.437 -10.692 1.00 0.89 C ATOM 2191 O ASN B 36 -14.164 3.930 -9.626 1.00 0.98 O ATOM 2192 CB ASN B 36 -14.889 6.555 -11.538 1.00 1.05 C ATOM 2193 CG ASN B 36 -15.325 7.922 -11.002 1.00 2.22 C ATOM 2194 OD1 ASN B 36 -14.761 8.450 -10.050 1.00 3.65 O ATOM 2195 ND2 ASN B 36 -16.335 8.522 -11.622 1.00 2.55 N ATOM 0 H ASN B 36 -12.514 6.786 -12.358 1.00 0.75 H new ATOM 0 HA ASN B 36 -13.626 6.413 -9.820 1.00 0.85 H new ATOM 0 HB2 ASN B 36 -14.655 6.650 -12.598 1.00 1.05 H new ATOM 0 HB3 ASN B 36 -15.725 5.861 -11.456 1.00 1.05 H new ATOM 0 HD21 ASN B 36 -16.654 9.438 -11.308 1.00 2.55 H new ATOM 0 HD22 ASN B 36 -16.791 8.066 -12.412 1.00 2.55 H new ATOM 2202 N GLU B 37 -13.548 3.713 -11.781 1.00 0.95 N ATOM 2203 CA GLU B 37 -13.547 2.254 -11.826 1.00 1.08 C ATOM 2204 C GLU B 37 -12.784 1.689 -10.620 1.00 1.05 C ATOM 2205 O GLU B 37 -13.326 0.913 -9.835 1.00 1.18 O ATOM 2206 CB GLU B 37 -12.932 1.829 -13.167 1.00 1.22 C ATOM 2207 CG GLU B 37 -12.962 0.322 -13.444 1.00 1.38 C ATOM 2208 CD GLU B 37 -12.305 -0.015 -14.781 1.00 2.44 C ATOM 2209 OE1 GLU B 37 -11.534 0.844 -15.273 1.00 3.21 O ATOM 2210 OE2 GLU B 37 -12.545 -1.137 -15.266 1.00 3.21 O ATOM 0 H GLU B 37 -13.306 4.140 -12.675 1.00 0.95 H new ATOM 0 HA GLU B 37 -14.559 1.854 -11.762 1.00 1.08 H new ATOM 0 HB2 GLU B 37 -13.460 2.342 -13.971 1.00 1.22 H new ATOM 0 HB3 GLU B 37 -11.897 2.169 -13.199 1.00 1.22 H new ATOM 0 HG2 GLU B 37 -12.448 -0.207 -12.641 1.00 1.38 H new ATOM 0 HG3 GLU B 37 -13.994 -0.028 -13.446 1.00 1.38 H new ATOM 2217 N PHE B 38 -11.532 2.125 -10.440 1.00 0.93 N ATOM 2218 CA PHE B 38 -10.752 1.850 -9.242 1.00 0.85 C ATOM 2219 C PHE B 38 -11.554 2.137 -7.967 1.00 0.79 C ATOM 2220 O PHE B 38 -11.682 1.239 -7.136 1.00 0.81 O ATOM 2221 CB PHE B 38 -9.427 2.626 -9.276 1.00 0.80 C ATOM 2222 CG PHE B 38 -8.865 2.977 -7.912 1.00 0.94 C ATOM 2223 CD1 PHE B 38 -8.192 1.999 -7.166 1.00 1.55 C ATOM 2224 CD2 PHE B 38 -9.111 4.241 -7.341 1.00 2.13 C ATOM 2225 CE1 PHE B 38 -7.667 2.319 -5.903 1.00 1.70 C ATOM 2226 CE2 PHE B 38 -8.710 4.508 -6.022 1.00 2.44 C ATOM 2227 CZ PHE B 38 -7.961 3.557 -5.311 1.00 1.65 C ATOM 0 H PHE B 38 -11.033 2.683 -11.132 1.00 0.93 H new ATOM 0 HA PHE B 38 -10.515 0.786 -9.226 1.00 0.85 H new ATOM 0 HB2 PHE B 38 -8.689 2.034 -9.817 1.00 0.80 H new ATOM 0 HB3 PHE B 38 -9.575 3.546 -9.841 1.00 0.80 H new ATOM 0 HD1 PHE B 38 -8.077 1.001 -7.562 1.00 1.55 H new ATOM 0 HD2 PHE B 38 -9.609 5.006 -7.919 1.00 2.13 H new ATOM 0 HE1 PHE B 38 -7.036 1.611 -5.387 1.00 1.70 H new ATOM 0 HE2 PHE B 38 -8.978 5.444 -5.555 1.00 2.44 H new ATOM 0 HZ PHE B 38 -7.613 3.777 -4.313 1.00 1.65 H new ATOM 2237 N LYS B 39 -12.071 3.364 -7.799 1.00 0.78 N ATOM 2238 CA LYS B 39 -12.826 3.761 -6.607 1.00 0.79 C ATOM 2239 C LYS B 39 -13.902 2.712 -6.290 1.00 0.89 C ATOM 2240 O LYS B 39 -14.009 2.223 -5.162 1.00 0.97 O ATOM 2241 CB LYS B 39 -13.464 5.152 -6.805 1.00 0.90 C ATOM 2242 CG LYS B 39 -14.054 5.723 -5.505 1.00 0.88 C ATOM 2243 CD LYS B 39 -15.190 6.704 -5.837 1.00 1.57 C ATOM 2244 CE LYS B 39 -15.567 7.545 -4.609 1.00 2.68 C ATOM 2245 NZ LYS B 39 -16.673 8.482 -4.899 1.00 3.80 N ATOM 0 H LYS B 39 -11.975 4.109 -8.490 1.00 0.78 H new ATOM 0 HA LYS B 39 -12.139 3.821 -5.763 1.00 0.79 H new ATOM 0 HB2 LYS B 39 -12.713 5.840 -7.192 1.00 0.90 H new ATOM 0 HB3 LYS B 39 -14.250 5.083 -7.557 1.00 0.90 H new ATOM 0 HG2 LYS B 39 -14.431 4.914 -4.879 1.00 0.88 H new ATOM 0 HG3 LYS B 39 -13.277 6.232 -4.934 1.00 0.88 H new ATOM 0 HD2 LYS B 39 -14.882 7.360 -6.651 1.00 1.57 H new ATOM 0 HD3 LYS B 39 -16.062 6.151 -6.185 1.00 1.57 H new ATOM 0 HE2 LYS B 39 -15.856 6.884 -3.792 1.00 2.68 H new ATOM 0 HE3 LYS B 39 -14.695 8.106 -4.272 1.00 2.68 H new ATOM 0 HZ1 LYS B 39 -16.897 9.030 -4.044 1.00 3.80 H new ATOM 0 HZ2 LYS B 39 -16.388 9.130 -5.661 1.00 3.80 H new ATOM 0 HZ3 LYS B 39 -17.513 7.946 -5.196 1.00 3.80 H new ATOM 2259 N GLU B 40 -14.703 2.386 -7.302 1.00 0.95 N ATOM 2260 CA GLU B 40 -15.780 1.418 -7.215 1.00 1.10 C ATOM 2261 C GLU B 40 -15.227 0.052 -6.793 1.00 1.01 C ATOM 2262 O GLU B 40 -15.697 -0.532 -5.817 1.00 1.07 O ATOM 2263 CB GLU B 40 -16.526 1.389 -8.553 1.00 1.36 C ATOM 2264 CG GLU B 40 -17.230 2.733 -8.798 1.00 1.45 C ATOM 2265 CD GLU B 40 -17.780 2.822 -10.213 1.00 2.25 C ATOM 2266 OE1 GLU B 40 -18.591 1.935 -10.552 1.00 3.14 O ATOM 2267 OE2 GLU B 40 -17.378 3.772 -10.920 1.00 3.05 O ATOM 0 H GLU B 40 -14.613 2.803 -8.229 1.00 0.95 H new ATOM 0 HA GLU B 40 -16.500 1.701 -6.447 1.00 1.10 H new ATOM 0 HB2 GLU B 40 -15.826 1.184 -9.363 1.00 1.36 H new ATOM 0 HB3 GLU B 40 -17.258 0.582 -8.552 1.00 1.36 H new ATOM 0 HG2 GLU B 40 -18.043 2.856 -8.082 1.00 1.45 H new ATOM 0 HG3 GLU B 40 -16.528 3.549 -8.627 1.00 1.45 H new ATOM 2274 N LEU B 41 -14.204 -0.445 -7.488 1.00 0.94 N ATOM 2275 CA LEU B 41 -13.580 -1.717 -7.146 1.00 0.89 C ATOM 2276 C LEU B 41 -13.121 -1.735 -5.685 1.00 0.78 C ATOM 2277 O LEU B 41 -13.553 -2.595 -4.922 1.00 0.78 O ATOM 2278 CB LEU B 41 -12.427 -2.030 -8.112 1.00 0.95 C ATOM 2279 CG LEU B 41 -12.920 -2.386 -9.526 1.00 1.33 C ATOM 2280 CD1 LEU B 41 -11.745 -2.313 -10.503 1.00 2.94 C ATOM 2281 CD2 LEU B 41 -13.526 -3.795 -9.582 1.00 2.12 C ATOM 0 H LEU B 41 -13.790 0.020 -8.296 1.00 0.94 H new ATOM 0 HA LEU B 41 -14.326 -2.505 -7.255 1.00 0.89 H new ATOM 0 HB2 LEU B 41 -11.762 -1.168 -8.169 1.00 0.95 H new ATOM 0 HB3 LEU B 41 -11.841 -2.859 -7.716 1.00 0.95 H new ATOM 0 HG LEU B 41 -13.696 -1.671 -9.799 1.00 1.33 H new ATOM 0 HD11 LEU B 41 -12.090 -2.564 -11.506 1.00 2.94 H new ATOM 0 HD12 LEU B 41 -11.334 -1.303 -10.503 1.00 2.94 H new ATOM 0 HD13 LEU B 41 -10.973 -3.019 -10.197 1.00 2.94 H new ATOM 0 HD21 LEU B 41 -13.862 -4.007 -10.597 1.00 2.12 H new ATOM 0 HD22 LEU B 41 -12.773 -4.527 -9.289 1.00 2.12 H new ATOM 0 HD23 LEU B 41 -14.374 -3.854 -8.900 1.00 2.12 H new ATOM 2293 N VAL B 42 -12.274 -0.793 -5.255 1.00 0.75 N ATOM 2294 CA VAL B 42 -11.785 -0.819 -3.878 1.00 0.69 C ATOM 2295 C VAL B 42 -12.948 -0.745 -2.884 1.00 0.78 C ATOM 2296 O VAL B 42 -12.995 -1.537 -1.946 1.00 0.80 O ATOM 2297 CB VAL B 42 -10.707 0.241 -3.587 1.00 0.69 C ATOM 2298 CG1 VAL B 42 -9.458 -0.038 -4.419 1.00 1.70 C ATOM 2299 CG2 VAL B 42 -11.149 1.691 -3.799 1.00 1.75 C ATOM 0 H VAL B 42 -11.922 -0.024 -5.825 1.00 0.75 H new ATOM 0 HA VAL B 42 -11.285 -1.778 -3.746 1.00 0.69 H new ATOM 0 HB VAL B 42 -10.498 0.148 -2.521 1.00 0.69 H new ATOM 0 HG11 VAL B 42 -8.702 0.718 -4.205 1.00 1.70 H new ATOM 0 HG12 VAL B 42 -9.066 -1.024 -4.168 1.00 1.70 H new ATOM 0 HG13 VAL B 42 -9.712 -0.007 -5.478 1.00 1.70 H new ATOM 0 HG21 VAL B 42 -10.321 2.361 -3.568 1.00 1.75 H new ATOM 0 HG22 VAL B 42 -11.451 1.831 -4.837 1.00 1.75 H new ATOM 0 HG23 VAL B 42 -11.990 1.915 -3.143 1.00 1.75 H new ATOM 2309 N THR B 43 -13.905 0.173 -3.078 1.00 0.92 N ATOM 2310 CA THR B 43 -14.989 0.305 -2.110 1.00 1.06 C ATOM 2311 C THR B 43 -15.814 -0.988 -2.047 1.00 1.10 C ATOM 2312 O THR B 43 -16.202 -1.414 -0.962 1.00 1.20 O ATOM 2313 CB THR B 43 -15.810 1.591 -2.336 1.00 1.26 C ATOM 2314 OG1 THR B 43 -16.391 2.016 -1.123 1.00 1.49 O ATOM 2315 CG2 THR B 43 -16.931 1.466 -3.366 1.00 1.57 C ATOM 0 H THR B 43 -13.948 0.813 -3.871 1.00 0.92 H new ATOM 0 HA THR B 43 -14.565 0.433 -1.114 1.00 1.06 H new ATOM 0 HB THR B 43 -15.091 2.311 -2.726 1.00 1.26 H new ATOM 0 HG1 THR B 43 -16.908 2.834 -1.277 1.00 1.49 H new ATOM 0 HG21 THR B 43 -17.451 2.420 -3.456 1.00 1.57 H new ATOM 0 HG22 THR B 43 -16.508 1.191 -4.332 1.00 1.57 H new ATOM 0 HG23 THR B 43 -17.635 0.698 -3.046 1.00 1.57 H new ATOM 2323 N GLN B 44 -16.050 -1.641 -3.192 1.00 1.10 N ATOM 2324 CA GLN B 44 -16.702 -2.946 -3.228 1.00 1.17 C ATOM 2325 C GLN B 44 -15.870 -3.988 -2.471 1.00 1.09 C ATOM 2326 O GLN B 44 -16.413 -4.774 -1.700 1.00 1.16 O ATOM 2327 CB GLN B 44 -16.911 -3.384 -4.682 1.00 1.23 C ATOM 2328 CG GLN B 44 -17.983 -2.549 -5.394 1.00 1.89 C ATOM 2329 CD GLN B 44 -17.890 -2.696 -6.911 1.00 2.75 C ATOM 2330 OE1 GLN B 44 -17.346 -3.670 -7.421 1.00 3.40 O ATOM 2331 NE2 GLN B 44 -18.425 -1.731 -7.654 1.00 3.62 N ATOM 0 H GLN B 44 -15.795 -1.279 -4.111 1.00 1.10 H new ATOM 0 HA GLN B 44 -17.673 -2.865 -2.739 1.00 1.17 H new ATOM 0 HB2 GLN B 44 -15.969 -3.299 -5.223 1.00 1.23 H new ATOM 0 HB3 GLN B 44 -17.198 -4.435 -4.705 1.00 1.23 H new ATOM 0 HG2 GLN B 44 -18.972 -2.861 -5.057 1.00 1.89 H new ATOM 0 HG3 GLN B 44 -17.869 -1.500 -5.121 1.00 1.89 H new ATOM 0 HE21 GLN B 44 -18.872 -0.931 -7.206 1.00 3.62 H new ATOM 0 HE22 GLN B 44 -18.388 -1.791 -8.672 1.00 3.62 H new ATOM 2340 N GLN B 45 -14.559 -4.019 -2.719 1.00 0.98 N ATOM 2341 CA GLN B 45 -13.642 -4.989 -2.135 1.00 0.94 C ATOM 2342 C GLN B 45 -13.443 -4.792 -0.632 1.00 0.88 C ATOM 2343 O GLN B 45 -13.106 -5.758 0.049 1.00 0.89 O ATOM 2344 CB GLN B 45 -12.287 -4.929 -2.844 1.00 0.94 C ATOM 2345 CG GLN B 45 -12.156 -5.876 -4.043 1.00 0.81 C ATOM 2346 CD GLN B 45 -13.036 -5.523 -5.242 1.00 1.04 C ATOM 2347 OE1 GLN B 45 -12.541 -5.037 -6.253 1.00 1.84 O ATOM 2348 NE2 GLN B 45 -14.336 -5.795 -5.167 1.00 1.62 N ATOM 0 H GLN B 45 -14.100 -3.356 -3.344 1.00 0.98 H new ATOM 0 HA GLN B 45 -14.096 -5.970 -2.275 1.00 0.94 H new ATOM 0 HB2 GLN B 45 -12.113 -3.908 -3.183 1.00 0.94 H new ATOM 0 HB3 GLN B 45 -11.503 -5.164 -2.124 1.00 0.94 H new ATOM 0 HG2 GLN B 45 -11.115 -5.888 -4.366 1.00 0.81 H new ATOM 0 HG3 GLN B 45 -12.400 -6.887 -3.717 1.00 0.81 H new ATOM 0 HE21 GLN B 45 -14.724 -6.199 -4.315 1.00 1.62 H new ATOM 0 HE22 GLN B 45 -14.945 -5.599 -5.962 1.00 1.62 H new ATOM 2357 N LEU B 46 -13.621 -3.570 -0.118 1.00 0.86 N ATOM 2358 CA LEU B 46 -13.501 -3.254 1.303 1.00 0.84 C ATOM 2359 C LEU B 46 -14.886 -3.036 1.943 1.00 0.91 C ATOM 2360 O LEU B 46 -15.164 -1.940 2.434 1.00 0.96 O ATOM 2361 CB LEU B 46 -12.585 -2.019 1.473 1.00 0.86 C ATOM 2362 CG LEU B 46 -11.056 -2.228 1.362 1.00 0.89 C ATOM 2363 CD1 LEU B 46 -10.549 -2.892 0.073 1.00 1.35 C ATOM 2364 CD2 LEU B 46 -10.383 -0.855 1.466 1.00 1.71 C ATOM 0 H LEU B 46 -13.857 -2.760 -0.692 1.00 0.86 H new ATOM 0 HA LEU B 46 -13.048 -4.097 1.825 1.00 0.84 H new ATOM 0 HB2 LEU B 46 -12.876 -1.282 0.725 1.00 0.86 H new ATOM 0 HB3 LEU B 46 -12.792 -1.581 2.450 1.00 0.86 H new ATOM 0 HG LEU B 46 -10.804 -2.917 2.168 1.00 0.89 H new ATOM 0 HD11 LEU B 46 -9.464 -2.984 0.114 1.00 1.35 H new ATOM 0 HD12 LEU B 46 -10.993 -3.882 -0.025 1.00 1.35 H new ATOM 0 HD13 LEU B 46 -10.830 -2.282 -0.785 1.00 1.35 H new ATOM 0 HD21 LEU B 46 -9.302 -0.973 1.391 1.00 1.71 H new ATOM 0 HD22 LEU B 46 -10.735 -0.215 0.657 1.00 1.71 H new ATOM 0 HD23 LEU B 46 -10.632 -0.399 2.424 1.00 1.71 H new ATOM 2376 N PRO B 47 -15.761 -4.056 2.055 1.00 0.98 N ATOM 2377 CA PRO B 47 -17.093 -3.886 2.621 1.00 1.07 C ATOM 2378 C PRO B 47 -17.056 -3.908 4.158 1.00 0.93 C ATOM 2379 O PRO B 47 -17.923 -4.499 4.798 1.00 1.04 O ATOM 2380 CB PRO B 47 -17.892 -5.067 2.057 1.00 1.36 C ATOM 2381 CG PRO B 47 -16.847 -6.181 2.085 1.00 1.29 C ATOM 2382 CD PRO B 47 -15.589 -5.440 1.634 1.00 1.05 C ATOM 0 HA PRO B 47 -17.538 -2.925 2.362 1.00 1.07 H new ATOM 0 HB2 PRO B 47 -18.761 -5.304 2.670 1.00 1.36 H new ATOM 0 HB3 PRO B 47 -18.257 -4.872 1.049 1.00 1.36 H new ATOM 0 HG2 PRO B 47 -16.734 -6.611 3.080 1.00 1.29 H new ATOM 0 HG3 PRO B 47 -17.103 -6.999 1.412 1.00 1.29 H new ATOM 0 HD2 PRO B 47 -14.697 -5.876 2.085 1.00 1.05 H new ATOM 0 HD3 PRO B 47 -15.465 -5.506 0.553 1.00 1.05 H new ATOM 2390 N HIS B 48 -16.045 -3.287 4.772 1.00 1.14 N ATOM 2391 CA HIS B 48 -15.801 -3.429 6.202 1.00 1.01 C ATOM 2392 C HIS B 48 -16.780 -2.576 7.007 1.00 1.09 C ATOM 2393 O HIS B 48 -17.178 -2.972 8.101 1.00 2.05 O ATOM 2394 CB HIS B 48 -14.343 -3.068 6.509 1.00 1.24 C ATOM 2395 CG HIS B 48 -13.914 -3.263 7.948 1.00 1.38 C ATOM 2396 ND1 HIS B 48 -14.631 -2.957 9.087 1.00 2.69 N ATOM 2397 CD2 HIS B 48 -12.667 -3.654 8.352 1.00 2.12 C ATOM 2398 CE1 HIS B 48 -13.821 -3.135 10.145 1.00 3.23 C ATOM 2399 NE2 HIS B 48 -12.609 -3.538 9.742 1.00 2.80 N ATOM 0 H HIS B 48 -15.381 -2.678 4.294 1.00 1.14 H new ATOM 0 HA HIS B 48 -15.967 -4.465 6.497 1.00 1.01 H new ATOM 0 HB2 HIS B 48 -13.696 -3.669 5.870 1.00 1.24 H new ATOM 0 HB3 HIS B 48 -14.180 -2.025 6.237 1.00 1.24 H new ATOM 0 HD1 HIS B 48 -15.603 -2.650 9.120 1.00 2.69 H new ATOM 0 HD2 HIS B 48 -11.868 -3.993 7.709 1.00 2.12 H new ATOM 0 HE1 HIS B 48 -14.107 -2.976 11.174 1.00 3.23 H new ATOM 2407 N LEU B 49 -17.110 -1.379 6.514 1.00 1.10 N ATOM 2408 CA LEU B 49 -17.985 -0.435 7.205 1.00 1.13 C ATOM 2409 C LEU B 49 -18.480 0.625 6.218 1.00 1.22 C ATOM 2410 O LEU B 49 -19.665 0.943 6.198 1.00 1.46 O ATOM 2411 CB LEU B 49 -17.255 0.216 8.397 1.00 1.17 C ATOM 2412 CG LEU B 49 -18.163 0.487 9.608 1.00 1.50 C ATOM 2413 CD1 LEU B 49 -17.362 1.238 10.677 1.00 2.69 C ATOM 2414 CD2 LEU B 49 -19.434 1.275 9.266 1.00 2.43 C ATOM 0 H LEU B 49 -16.772 -1.037 5.614 1.00 1.10 H new ATOM 0 HA LEU B 49 -18.846 -0.974 7.601 1.00 1.13 H new ATOM 0 HB2 LEU B 49 -16.435 -0.432 8.707 1.00 1.17 H new ATOM 0 HB3 LEU B 49 -16.811 1.156 8.070 1.00 1.17 H new ATOM 0 HG LEU B 49 -18.497 -0.484 9.975 1.00 1.50 H new ATOM 0 HD11 LEU B 49 -18.000 1.434 11.539 1.00 2.69 H new ATOM 0 HD12 LEU B 49 -16.510 0.632 10.986 1.00 2.69 H new ATOM 0 HD13 LEU B 49 -17.006 2.183 10.267 1.00 2.69 H new ATOM 0 HD21 LEU B 49 -20.023 1.427 10.171 1.00 2.43 H new ATOM 0 HD22 LEU B 49 -19.160 2.242 8.845 1.00 2.43 H new ATOM 0 HD23 LEU B 49 -20.024 0.717 8.539 1.00 2.43 H new ATOM 2426 N LEU B 50 -17.560 1.148 5.400 1.00 1.22 N ATOM 2427 CA LEU B 50 -17.826 2.124 4.347 1.00 1.44 C ATOM 2428 C LEU B 50 -18.315 3.426 4.985 1.00 1.35 C ATOM 2429 O LEU B 50 -19.330 3.997 4.592 1.00 1.55 O ATOM 2430 CB LEU B 50 -18.807 1.563 3.306 1.00 1.91 C ATOM 2431 CG LEU B 50 -18.430 0.144 2.833 1.00 2.02 C ATOM 2432 CD1 LEU B 50 -19.558 -0.832 3.182 1.00 3.85 C ATOM 2433 CD2 LEU B 50 -18.141 0.140 1.335 1.00 2.46 C ATOM 0 H LEU B 50 -16.575 0.891 5.458 1.00 1.22 H new ATOM 0 HA LEU B 50 -16.907 2.340 3.802 1.00 1.44 H new ATOM 0 HB2 LEU B 50 -19.810 1.544 3.732 1.00 1.91 H new ATOM 0 HB3 LEU B 50 -18.838 2.231 2.446 1.00 1.91 H new ATOM 0 HG LEU B 50 -17.523 -0.177 3.346 1.00 2.02 H new ATOM 0 HD11 LEU B 50 -19.289 -1.834 2.847 1.00 3.85 H new ATOM 0 HD12 LEU B 50 -19.712 -0.840 4.261 1.00 3.85 H new ATOM 0 HD13 LEU B 50 -20.477 -0.518 2.687 1.00 3.85 H new ATOM 0 HD21 LEU B 50 -17.877 -0.869 1.018 1.00 2.46 H new ATOM 0 HD22 LEU B 50 -19.027 0.470 0.793 1.00 2.46 H new ATOM 0 HD23 LEU B 50 -17.313 0.816 1.122 1.00 2.46 H new ATOM 2445 N LYS B 51 -17.606 3.842 6.035 1.00 1.15 N ATOM 2446 CA LYS B 51 -17.938 5.032 6.814 1.00 1.13 C ATOM 2447 C LYS B 51 -17.384 6.282 6.129 1.00 1.09 C ATOM 2448 O LYS B 51 -18.032 7.323 6.065 1.00 1.16 O ATOM 2449 CB LYS B 51 -17.445 4.844 8.257 1.00 1.12 C ATOM 2450 CG LYS B 51 -15.921 4.752 8.433 1.00 1.14 C ATOM 2451 CD LYS B 51 -15.287 6.150 8.559 1.00 1.33 C ATOM 2452 CE LYS B 51 -14.354 6.303 9.767 1.00 1.60 C ATOM 2453 NZ LYS B 51 -13.329 7.340 9.520 1.00 3.06 N ATOM 0 H LYS B 51 -16.775 3.355 6.371 1.00 1.15 H new ATOM 0 HA LYS B 51 -19.018 5.174 6.864 1.00 1.13 H new ATOM 0 HB2 LYS B 51 -17.812 5.676 8.858 1.00 1.12 H new ATOM 0 HB3 LYS B 51 -17.894 3.936 8.660 1.00 1.12 H new ATOM 0 HG2 LYS B 51 -15.690 4.164 9.321 1.00 1.14 H new ATOM 0 HG3 LYS B 51 -15.485 4.228 7.582 1.00 1.14 H new ATOM 0 HD2 LYS B 51 -14.727 6.367 7.650 1.00 1.33 H new ATOM 0 HD3 LYS B 51 -16.081 6.893 8.629 1.00 1.33 H new ATOM 0 HE2 LYS B 51 -14.937 6.566 10.650 1.00 1.60 H new ATOM 0 HE3 LYS B 51 -13.868 5.350 9.978 1.00 1.60 H new ATOM 0 HZ1 LYS B 51 -12.776 7.495 10.387 1.00 3.06 H new ATOM 0 HZ2 LYS B 51 -12.696 7.027 8.757 1.00 3.06 H new ATOM 0 HZ3 LYS B 51 -13.794 8.228 9.242 1.00 3.06 H new ATOM 2467 N ASP B 52 -16.136 6.130 5.694 1.00 1.06 N ATOM 2468 CA ASP B 52 -15.354 6.856 4.727 1.00 1.01 C ATOM 2469 C ASP B 52 -15.758 8.315 4.582 1.00 0.99 C ATOM 2470 O ASP B 52 -16.613 8.670 3.773 1.00 1.29 O ATOM 2471 CB ASP B 52 -15.272 6.038 3.432 1.00 1.43 C ATOM 2472 CG ASP B 52 -14.707 4.633 3.678 1.00 2.11 C ATOM 2473 OD1 ASP B 52 -15.141 3.992 4.671 1.00 3.04 O ATOM 2474 OD2 ASP B 52 -13.826 4.228 2.895 1.00 2.72 O ATOM 0 H ASP B 52 -15.575 5.372 6.082 1.00 1.06 H new ATOM 0 HA ASP B 52 -14.332 6.962 5.090 1.00 1.01 H new ATOM 0 HB2 ASP B 52 -16.265 5.958 2.990 1.00 1.43 H new ATOM 0 HB3 ASP B 52 -14.643 6.561 2.711 1.00 1.43 H new ATOM 2479 N VAL B 53 -15.112 9.155 5.392 1.00 1.02 N ATOM 2480 CA VAL B 53 -15.370 10.574 5.497 1.00 1.29 C ATOM 2481 C VAL B 53 -14.032 11.278 5.710 1.00 1.23 C ATOM 2482 O VAL B 53 -13.030 10.628 6.012 1.00 1.47 O ATOM 2483 CB VAL B 53 -16.406 10.818 6.614 1.00 1.94 C ATOM 2484 CG1 VAL B 53 -15.898 10.366 7.990 1.00 2.34 C ATOM 2485 CG2 VAL B 53 -16.873 12.276 6.688 1.00 3.17 C ATOM 0 H VAL B 53 -14.366 8.843 6.014 1.00 1.02 H new ATOM 0 HA VAL B 53 -15.810 10.989 4.590 1.00 1.29 H new ATOM 0 HB VAL B 53 -17.265 10.204 6.342 1.00 1.94 H new ATOM 0 HG11 VAL B 53 -16.663 10.559 8.742 1.00 2.34 H new ATOM 0 HG12 VAL B 53 -15.676 9.299 7.964 1.00 2.34 H new ATOM 0 HG13 VAL B 53 -14.993 10.918 8.243 1.00 2.34 H new ATOM 0 HG21 VAL B 53 -17.601 12.385 7.492 1.00 3.17 H new ATOM 0 HG22 VAL B 53 -16.017 12.923 6.883 1.00 3.17 H new ATOM 0 HG23 VAL B 53 -17.334 12.559 5.742 1.00 3.17 H new ATOM 2495 N GLY B 54 -14.002 12.594 5.506 1.00 1.43 N ATOM 2496 CA GLY B 54 -12.774 13.364 5.505 1.00 1.58 C ATOM 2497 C GLY B 54 -12.070 13.137 4.174 1.00 1.47 C ATOM 2498 O GLY B 54 -12.395 13.787 3.187 1.00 1.83 O ATOM 0 H GLY B 54 -14.838 13.153 5.336 1.00 1.43 H new ATOM 0 HA2 GLY B 54 -12.990 14.423 5.645 1.00 1.58 H new ATOM 0 HA3 GLY B 54 -12.133 13.057 6.331 1.00 1.58 H new ATOM 2502 N SER B 55 -11.149 12.175 4.116 1.00 1.22 N ATOM 2503 CA SER B 55 -10.329 11.958 2.932 1.00 1.16 C ATOM 2504 C SER B 55 -11.120 11.404 1.751 1.00 1.05 C ATOM 2505 O SER B 55 -10.690 11.508 0.603 1.00 1.14 O ATOM 2506 CB SER B 55 -9.081 11.164 3.278 1.00 1.22 C ATOM 2507 OG SER B 55 -8.566 11.703 4.483 1.00 1.73 O ATOM 0 H SER B 55 -10.954 11.531 4.883 1.00 1.22 H new ATOM 0 HA SER B 55 -9.986 12.931 2.580 1.00 1.16 H new ATOM 0 HB2 SER B 55 -9.318 10.107 3.399 1.00 1.22 H new ATOM 0 HB3 SER B 55 -8.344 11.236 2.478 1.00 1.22 H new ATOM 0 HG SER B 55 -8.597 12.682 4.443 1.00 1.73 H new ATOM 2513 N LEU B 56 -12.314 10.879 2.037 1.00 0.98 N ATOM 2514 CA LEU B 56 -13.356 10.718 1.040 1.00 1.02 C ATOM 2515 C LEU B 56 -13.360 11.930 0.116 1.00 1.00 C ATOM 2516 O LEU B 56 -13.252 11.752 -1.092 1.00 1.00 O ATOM 2517 CB LEU B 56 -14.701 10.580 1.761 1.00 1.11 C ATOM 2518 CG LEU B 56 -15.948 10.382 0.881 1.00 1.57 C ATOM 2519 CD1 LEU B 56 -16.360 11.582 0.023 1.00 1.97 C ATOM 2520 CD2 LEU B 56 -15.845 9.116 0.022 1.00 2.41 C ATOM 0 H LEU B 56 -12.578 10.556 2.968 1.00 0.98 H new ATOM 0 HA LEU B 56 -13.179 9.827 0.438 1.00 1.02 H new ATOM 0 HB2 LEU B 56 -14.633 9.736 2.447 1.00 1.11 H new ATOM 0 HB3 LEU B 56 -14.853 11.472 2.368 1.00 1.11 H new ATOM 0 HG LEU B 56 -16.753 10.268 1.607 1.00 1.57 H new ATOM 0 HD11 LEU B 56 -17.249 11.328 -0.554 1.00 1.97 H new ATOM 0 HD12 LEU B 56 -16.577 12.433 0.668 1.00 1.97 H new ATOM 0 HD13 LEU B 56 -15.548 11.839 -0.657 1.00 1.97 H new ATOM 0 HD21 LEU B 56 -16.745 9.013 -0.584 1.00 2.41 H new ATOM 0 HD22 LEU B 56 -14.975 9.189 -0.630 1.00 2.41 H new ATOM 0 HD23 LEU B 56 -15.742 8.245 0.669 1.00 2.41 H new ATOM 2532 N ASP B 57 -13.444 13.150 0.666 1.00 1.08 N ATOM 2533 CA ASP B 57 -13.444 14.359 -0.146 1.00 1.16 C ATOM 2534 C ASP B 57 -12.139 14.459 -0.941 1.00 1.02 C ATOM 2535 O ASP B 57 -12.179 14.554 -2.170 1.00 1.09 O ATOM 2536 CB ASP B 57 -13.630 15.617 0.714 1.00 1.43 C ATOM 2537 CG ASP B 57 -13.248 16.863 -0.076 1.00 2.42 C ATOM 2538 OD1 ASP B 57 -14.070 17.306 -0.900 1.00 3.43 O ATOM 2539 OD2 ASP B 57 -12.094 17.320 0.100 1.00 3.25 O ATOM 0 H ASP B 57 -13.512 13.318 1.670 1.00 1.08 H new ATOM 0 HA ASP B 57 -14.286 14.296 -0.835 1.00 1.16 H new ATOM 0 HB2 ASP B 57 -14.667 15.691 1.042 1.00 1.43 H new ATOM 0 HB3 ASP B 57 -13.016 15.545 1.612 1.00 1.43 H new ATOM 2544 N GLU B 58 -11.005 14.438 -0.217 1.00 1.00 N ATOM 2545 CA GLU B 58 -9.653 14.547 -0.766 1.00 1.07 C ATOM 2546 C GLU B 58 -9.556 13.753 -2.067 1.00 0.97 C ATOM 2547 O GLU B 58 -9.110 14.264 -3.091 1.00 1.18 O ATOM 2548 CB GLU B 58 -8.580 14.035 0.217 1.00 1.17 C ATOM 2549 CG GLU B 58 -8.397 14.848 1.510 1.00 1.93 C ATOM 2550 CD GLU B 58 -7.460 14.121 2.477 1.00 3.28 C ATOM 2551 OE1 GLU B 58 -6.414 13.598 2.032 1.00 3.90 O ATOM 2552 OE2 GLU B 58 -7.801 13.987 3.674 1.00 4.53 O ATOM 0 H GLU B 58 -11.011 14.341 0.798 1.00 1.00 H new ATOM 0 HA GLU B 58 -9.465 15.605 -0.949 1.00 1.07 H new ATOM 0 HB2 GLU B 58 -8.828 13.009 0.490 1.00 1.17 H new ATOM 0 HB3 GLU B 58 -7.624 14.004 -0.306 1.00 1.17 H new ATOM 0 HG2 GLU B 58 -7.991 15.832 1.273 1.00 1.93 H new ATOM 0 HG3 GLU B 58 -9.365 15.008 1.985 1.00 1.93 H new ATOM 2559 N LYS B 59 -9.998 12.500 -1.999 1.00 0.82 N ATOM 2560 CA LYS B 59 -9.896 11.545 -3.079 1.00 0.86 C ATOM 2561 C LYS B 59 -11.000 11.766 -4.113 1.00 0.81 C ATOM 2562 O LYS B 59 -10.735 11.852 -5.311 1.00 0.92 O ATOM 2563 CB LYS B 59 -9.971 10.153 -2.447 1.00 0.90 C ATOM 2564 CG LYS B 59 -9.294 9.093 -3.314 1.00 1.04 C ATOM 2565 CD LYS B 59 -8.883 7.866 -2.496 1.00 1.07 C ATOM 2566 CE LYS B 59 -9.997 6.964 -1.965 1.00 1.13 C ATOM 2567 NZ LYS B 59 -10.775 7.646 -0.916 1.00 1.44 N ATOM 0 H LYS B 59 -10.447 12.119 -1.166 1.00 0.82 H new ATOM 0 HA LYS B 59 -8.956 11.661 -3.619 1.00 0.86 H new ATOM 0 HB2 LYS B 59 -9.498 10.175 -1.465 1.00 0.90 H new ATOM 0 HB3 LYS B 59 -11.015 9.881 -2.292 1.00 0.90 H new ATOM 0 HG2 LYS B 59 -9.972 8.788 -4.111 1.00 1.04 H new ATOM 0 HG3 LYS B 59 -8.414 9.523 -3.792 1.00 1.04 H new ATOM 0 HD2 LYS B 59 -8.223 7.257 -3.113 1.00 1.07 H new ATOM 0 HD3 LYS B 59 -8.296 8.211 -1.645 1.00 1.07 H new ATOM 0 HE2 LYS B 59 -10.657 6.676 -2.783 1.00 1.13 H new ATOM 0 HE3 LYS B 59 -9.567 6.046 -1.565 1.00 1.13 H new ATOM 0 HZ1 LYS B 59 -11.144 6.943 -0.244 1.00 1.44 H new ATOM 0 HZ2 LYS B 59 -10.163 8.319 -0.412 1.00 1.44 H new ATOM 0 HZ3 LYS B 59 -11.569 8.159 -1.350 1.00 1.44 H new ATOM 2581 N MET B 60 -12.254 11.813 -3.655 1.00 0.72 N ATOM 2582 CA MET B 60 -13.430 11.865 -4.507 1.00 0.78 C ATOM 2583 C MET B 60 -13.314 13.001 -5.508 1.00 0.80 C ATOM 2584 O MET B 60 -13.590 12.781 -6.680 1.00 0.84 O ATOM 2585 CB MET B 60 -14.715 11.991 -3.680 1.00 0.97 C ATOM 2586 CG MET B 60 -15.955 12.124 -4.579 1.00 1.14 C ATOM 2587 SD MET B 60 -17.546 11.948 -3.735 1.00 2.52 S ATOM 2588 CE MET B 60 -17.555 13.452 -2.731 1.00 3.32 C ATOM 0 H MET B 60 -12.477 11.816 -2.660 1.00 0.72 H new ATOM 0 HA MET B 60 -13.486 10.926 -5.058 1.00 0.78 H new ATOM 0 HB2 MET B 60 -14.822 11.117 -3.038 1.00 0.97 H new ATOM 0 HB3 MET B 60 -14.644 12.860 -3.026 1.00 0.97 H new ATOM 0 HG2 MET B 60 -15.927 13.099 -5.066 1.00 1.14 H new ATOM 0 HG3 MET B 60 -15.895 11.372 -5.366 1.00 1.14 H new ATOM 0 HE1 MET B 60 -18.449 13.468 -2.108 1.00 3.32 H new ATOM 0 HE2 MET B 60 -16.670 13.471 -2.096 1.00 3.32 H new ATOM 0 HE3 MET B 60 -17.552 14.325 -3.384 1.00 3.32 H new ATOM 2598 N LYS B 61 -12.926 14.198 -5.063 1.00 0.90 N ATOM 2599 CA LYS B 61 -12.820 15.319 -5.989 1.00 1.14 C ATOM 2600 C LYS B 61 -11.812 15.000 -7.095 1.00 1.18 C ATOM 2601 O LYS B 61 -12.132 15.055 -8.278 1.00 1.32 O ATOM 2602 CB LYS B 61 -12.508 16.609 -5.231 1.00 1.39 C ATOM 2603 CG LYS B 61 -11.147 16.616 -4.521 1.00 1.40 C ATOM 2604 CD LYS B 61 -11.264 17.587 -3.357 1.00 1.56 C ATOM 2605 CE LYS B 61 -9.926 17.848 -2.660 1.00 2.27 C ATOM 2606 NZ LYS B 61 -10.140 18.300 -1.270 1.00 2.40 N ATOM 0 H LYS B 61 -12.687 14.410 -4.094 1.00 0.90 H new ATOM 0 HA LYS B 61 -13.778 15.481 -6.484 1.00 1.14 H new ATOM 0 HB2 LYS B 61 -12.543 17.444 -5.930 1.00 1.39 H new ATOM 0 HB3 LYS B 61 -13.290 16.779 -4.491 1.00 1.39 H new ATOM 0 HG2 LYS B 61 -10.890 15.617 -4.167 1.00 1.40 H new ATOM 0 HG3 LYS B 61 -10.356 16.925 -5.204 1.00 1.40 H new ATOM 0 HD2 LYS B 61 -11.670 18.532 -3.718 1.00 1.56 H new ATOM 0 HD3 LYS B 61 -11.975 17.192 -2.631 1.00 1.56 H new ATOM 0 HE2 LYS B 61 -9.325 16.939 -2.663 1.00 2.27 H new ATOM 0 HE3 LYS B 61 -9.365 18.603 -3.211 1.00 2.27 H new ATOM 0 HZ1 LYS B 61 -9.433 17.858 -0.648 1.00 2.40 H new ATOM 0 HZ2 LYS B 61 -10.044 19.334 -1.223 1.00 2.40 H new ATOM 0 HZ3 LYS B 61 -11.094 18.026 -0.959 1.00 2.40 H new ATOM 2620 N SER B 62 -10.597 14.616 -6.708 1.00 1.20 N ATOM 2621 CA SER B 62 -9.580 14.167 -7.650 1.00 1.34 C ATOM 2622 C SER B 62 -10.106 13.108 -8.631 1.00 1.16 C ATOM 2623 O SER B 62 -9.825 13.200 -9.824 1.00 1.36 O ATOM 2624 CB SER B 62 -8.352 13.682 -6.880 1.00 1.52 C ATOM 2625 OG SER B 62 -7.917 14.719 -6.022 1.00 2.65 O ATOM 0 H SER B 62 -10.293 14.608 -5.734 1.00 1.20 H new ATOM 0 HA SER B 62 -9.292 15.015 -8.271 1.00 1.34 H new ATOM 0 HB2 SER B 62 -8.596 12.791 -6.302 1.00 1.52 H new ATOM 0 HB3 SER B 62 -7.557 13.405 -7.572 1.00 1.52 H new ATOM 0 HG SER B 62 -8.273 14.569 -5.121 1.00 2.65 H new ATOM 2631 N LEU B 63 -10.874 12.120 -8.156 1.00 0.90 N ATOM 2632 CA LEU B 63 -11.526 11.165 -9.053 1.00 0.86 C ATOM 2633 C LEU B 63 -12.510 11.888 -9.988 1.00 0.95 C ATOM 2634 O LEU B 63 -12.431 11.721 -11.200 1.00 1.06 O ATOM 2635 CB LEU B 63 -12.179 9.999 -8.282 1.00 0.89 C ATOM 2636 CG LEU B 63 -11.244 8.933 -7.666 1.00 1.03 C ATOM 2637 CD1 LEU B 63 -9.776 9.337 -7.457 1.00 1.18 C ATOM 2638 CD2 LEU B 63 -11.805 8.488 -6.313 1.00 1.42 C ATOM 0 H LEU B 63 -11.057 11.964 -7.165 1.00 0.90 H new ATOM 0 HA LEU B 63 -10.759 10.709 -9.680 1.00 0.86 H new ATOM 0 HB2 LEU B 63 -12.780 10.423 -7.478 1.00 0.89 H new ATOM 0 HB3 LEU B 63 -12.866 9.492 -8.959 1.00 0.89 H new ATOM 0 HG LEU B 63 -11.225 8.139 -8.412 1.00 1.03 H new ATOM 0 HD11 LEU B 63 -9.228 8.503 -7.019 1.00 1.18 H new ATOM 0 HD12 LEU B 63 -9.331 9.600 -8.417 1.00 1.18 H new ATOM 0 HD13 LEU B 63 -9.727 10.195 -6.787 1.00 1.18 H new ATOM 0 HD21 LEU B 63 -11.148 7.736 -5.876 1.00 1.42 H new ATOM 0 HD22 LEU B 63 -11.868 9.347 -5.645 1.00 1.42 H new ATOM 0 HD23 LEU B 63 -12.799 8.063 -6.453 1.00 1.42 H new ATOM 2650 N ASP B 64 -13.412 12.704 -9.443 1.00 1.00 N ATOM 2651 CA ASP B 64 -14.459 13.407 -10.180 1.00 1.20 C ATOM 2652 C ASP B 64 -13.898 14.229 -11.350 1.00 1.26 C ATOM 2653 O ASP B 64 -14.421 14.174 -12.463 1.00 1.36 O ATOM 2654 CB ASP B 64 -15.242 14.290 -9.198 1.00 1.36 C ATOM 2655 CG ASP B 64 -16.347 15.072 -9.890 1.00 1.58 C ATOM 2656 OD1 ASP B 64 -16.043 16.198 -10.339 1.00 1.49 O ATOM 2657 OD2 ASP B 64 -17.480 14.545 -9.920 1.00 2.41 O ATOM 0 H ASP B 64 -13.434 12.900 -8.442 1.00 1.00 H new ATOM 0 HA ASP B 64 -15.128 12.672 -10.627 1.00 1.20 H new ATOM 0 HB2 ASP B 64 -15.675 13.666 -8.416 1.00 1.36 H new ATOM 0 HB3 ASP B 64 -14.558 14.984 -8.710 1.00 1.36 H new ATOM 2662 N VAL B 65 -12.814 14.970 -11.088 1.00 1.25 N ATOM 2663 CA VAL B 65 -12.185 15.899 -12.030 1.00 1.38 C ATOM 2664 C VAL B 65 -12.009 15.277 -13.413 1.00 1.32 C ATOM 2665 O VAL B 65 -12.512 15.792 -14.408 1.00 1.45 O ATOM 2666 CB VAL B 65 -10.827 16.357 -11.464 1.00 1.45 C ATOM 2667 CG1 VAL B 65 -9.928 17.057 -12.492 1.00 1.92 C ATOM 2668 CG2 VAL B 65 -11.060 17.337 -10.321 1.00 2.05 C ATOM 0 H VAL B 65 -12.337 14.937 -10.187 1.00 1.25 H new ATOM 0 HA VAL B 65 -12.842 16.761 -12.151 1.00 1.38 H new ATOM 0 HB VAL B 65 -10.319 15.449 -11.139 1.00 1.45 H new ATOM 0 HG11 VAL B 65 -8.991 17.349 -12.017 1.00 1.92 H new ATOM 0 HG12 VAL B 65 -9.720 16.376 -13.317 1.00 1.92 H new ATOM 0 HG13 VAL B 65 -10.434 17.944 -12.873 1.00 1.92 H new ATOM 0 HG21 VAL B 65 -10.100 17.662 -9.919 1.00 2.05 H new ATOM 0 HG22 VAL B 65 -11.611 18.202 -10.690 1.00 2.05 H new ATOM 0 HG23 VAL B 65 -11.636 16.849 -9.535 1.00 2.05 H new ATOM 2678 N ASN B 66 -11.230 14.199 -13.465 1.00 1.15 N ATOM 2679 CA ASN B 66 -10.978 13.444 -14.696 1.00 1.09 C ATOM 2680 C ASN B 66 -10.904 11.958 -14.381 1.00 1.05 C ATOM 2681 O ASN B 66 -9.851 11.336 -14.523 1.00 1.05 O ATOM 2682 CB ASN B 66 -9.695 13.909 -15.412 1.00 1.09 C ATOM 2683 CG ASN B 66 -9.889 15.197 -16.205 1.00 1.47 C ATOM 2684 OD1 ASN B 66 -10.645 15.236 -17.170 1.00 2.44 O ATOM 2685 ND2 ASN B 66 -9.177 16.263 -15.846 1.00 2.23 N ATOM 0 H ASN B 66 -10.751 13.820 -12.649 1.00 1.15 H new ATOM 0 HA ASN B 66 -11.808 13.632 -15.377 1.00 1.09 H new ATOM 0 HB2 ASN B 66 -8.907 14.059 -14.674 1.00 1.09 H new ATOM 0 HB3 ASN B 66 -9.356 13.122 -16.085 1.00 1.09 H new ATOM 0 HD21 ASN B 66 -9.255 17.131 -16.376 1.00 2.23 H new ATOM 0 HD22 ASN B 66 -8.553 16.212 -15.041 1.00 2.23 H new ATOM 2692 N GLN B 67 -12.028 11.364 -13.976 1.00 1.11 N ATOM 2693 CA GLN B 67 -12.059 9.930 -13.737 1.00 1.08 C ATOM 2694 C GLN B 67 -11.724 9.131 -14.995 1.00 1.15 C ATOM 2695 O GLN B 67 -11.303 7.977 -14.925 1.00 1.24 O ATOM 2696 CB GLN B 67 -13.398 9.419 -13.202 1.00 1.15 C ATOM 2697 CG GLN B 67 -14.632 9.803 -14.040 1.00 1.36 C ATOM 2698 CD GLN B 67 -15.188 11.146 -13.599 1.00 1.92 C ATOM 2699 OE1 GLN B 67 -15.836 11.223 -12.558 1.00 2.87 O ATOM 2700 NE2 GLN B 67 -14.910 12.201 -14.357 1.00 2.66 N ATOM 0 H GLN B 67 -12.911 11.847 -13.811 1.00 1.11 H new ATOM 0 HA GLN B 67 -11.298 9.775 -12.972 1.00 1.08 H new ATOM 0 HB2 GLN B 67 -13.351 8.332 -13.131 1.00 1.15 H new ATOM 0 HB3 GLN B 67 -13.535 9.799 -12.189 1.00 1.15 H new ATOM 0 HG2 GLN B 67 -14.362 9.845 -15.095 1.00 1.36 H new ATOM 0 HG3 GLN B 67 -15.399 9.036 -13.938 1.00 1.36 H new ATOM 0 HE21 GLN B 67 -14.368 12.085 -15.213 1.00 2.66 H new ATOM 0 HE22 GLN B 67 -15.239 13.127 -14.083 1.00 2.66 H new ATOM 2709 N ASP B 68 -12.043 9.742 -16.131 1.00 1.19 N ATOM 2710 CA ASP B 68 -12.142 9.142 -17.439 1.00 1.34 C ATOM 2711 C ASP B 68 -10.768 8.663 -17.912 1.00 1.44 C ATOM 2712 O ASP B 68 -10.668 7.720 -18.694 1.00 1.65 O ATOM 2713 CB ASP B 68 -12.734 10.202 -18.389 1.00 1.36 C ATOM 2714 CG ASP B 68 -13.974 10.897 -17.822 1.00 2.74 C ATOM 2715 OD1 ASP B 68 -13.815 11.584 -16.780 1.00 3.99 O ATOM 2716 OD2 ASP B 68 -15.056 10.710 -18.414 1.00 3.70 O ATOM 0 H ASP B 68 -12.252 10.740 -16.154 1.00 1.19 H new ATOM 0 HA ASP B 68 -12.789 8.265 -17.418 1.00 1.34 H new ATOM 0 HB2 ASP B 68 -11.973 10.952 -18.606 1.00 1.36 H new ATOM 0 HB3 ASP B 68 -12.993 9.728 -19.336 1.00 1.36 H new ATOM 2721 N SER B 69 -9.708 9.329 -17.444 1.00 1.39 N ATOM 2722 CA SER B 69 -8.333 8.925 -17.681 1.00 1.43 C ATOM 2723 C SER B 69 -8.025 7.584 -17.005 1.00 1.46 C ATOM 2724 O SER B 69 -8.848 7.018 -16.284 1.00 2.61 O ATOM 2725 CB SER B 69 -7.405 10.024 -17.151 1.00 1.47 C ATOM 2726 OG SER B 69 -7.862 11.291 -17.591 1.00 2.80 O ATOM 0 H SER B 69 -9.790 10.176 -16.882 1.00 1.39 H new ATOM 0 HA SER B 69 -8.175 8.789 -18.751 1.00 1.43 H new ATOM 0 HB2 SER B 69 -7.377 9.995 -16.062 1.00 1.47 H new ATOM 0 HB3 SER B 69 -6.387 9.853 -17.500 1.00 1.47 H new ATOM 0 HG SER B 69 -7.267 11.990 -17.249 1.00 2.80 H new ATOM 2732 N GLU B 70 -6.811 7.079 -17.214 1.00 1.14 N ATOM 2733 CA GLU B 70 -6.361 5.893 -16.512 1.00 1.02 C ATOM 2734 C GLU B 70 -6.092 6.214 -15.050 1.00 0.98 C ATOM 2735 O GLU B 70 -6.058 7.371 -14.631 1.00 1.40 O ATOM 2736 CB GLU B 70 -5.062 5.310 -17.098 1.00 1.28 C ATOM 2737 CG GLU B 70 -4.879 5.498 -18.601 1.00 2.55 C ATOM 2738 CD GLU B 70 -4.166 6.812 -18.913 1.00 4.03 C ATOM 2739 OE1 GLU B 70 -4.857 7.852 -18.893 1.00 5.03 O ATOM 2740 OE2 GLU B 70 -2.925 6.760 -19.084 1.00 5.01 O ATOM 0 H GLU B 70 -6.129 7.474 -17.861 1.00 1.14 H new ATOM 0 HA GLU B 70 -7.161 5.160 -16.621 1.00 1.02 H new ATOM 0 HB2 GLU B 70 -4.215 5.768 -16.586 1.00 1.28 H new ATOM 0 HB3 GLU B 70 -5.030 4.243 -16.876 1.00 1.28 H new ATOM 0 HG2 GLU B 70 -4.305 4.665 -19.007 1.00 2.55 H new ATOM 0 HG3 GLU B 70 -5.852 5.484 -19.093 1.00 2.55 H new ATOM 2747 N LEU B 71 -5.775 5.152 -14.323 1.00 0.93 N ATOM 2748 CA LEU B 71 -5.073 5.202 -13.058 1.00 0.97 C ATOM 2749 C LEU B 71 -3.851 4.298 -13.216 1.00 0.87 C ATOM 2750 O LEU B 71 -3.841 3.436 -14.098 1.00 0.91 O ATOM 2751 CB LEU B 71 -6.023 4.713 -11.956 1.00 1.20 C ATOM 2752 CG LEU B 71 -5.515 4.958 -10.530 1.00 1.44 C ATOM 2753 CD1 LEU B 71 -5.527 6.451 -10.189 1.00 2.68 C ATOM 2754 CD2 LEU B 71 -6.441 4.226 -9.559 1.00 1.93 C ATOM 0 H LEU B 71 -6.009 4.202 -14.611 1.00 0.93 H new ATOM 0 HA LEU B 71 -4.750 6.206 -12.782 1.00 0.97 H new ATOM 0 HB2 LEU B 71 -6.986 5.209 -12.076 1.00 1.20 H new ATOM 0 HB3 LEU B 71 -6.196 3.645 -12.089 1.00 1.20 H new ATOM 0 HG LEU B 71 -4.491 4.594 -10.452 1.00 1.44 H new ATOM 0 HD11 LEU B 71 -5.162 6.595 -9.172 1.00 2.68 H new ATOM 0 HD12 LEU B 71 -4.883 6.988 -10.885 1.00 2.68 H new ATOM 0 HD13 LEU B 71 -6.545 6.834 -10.267 1.00 2.68 H new ATOM 0 HD21 LEU B 71 -6.097 4.387 -8.537 1.00 1.93 H new ATOM 0 HD22 LEU B 71 -7.456 4.609 -9.665 1.00 1.93 H new ATOM 0 HD23 LEU B 71 -6.431 3.159 -9.781 1.00 1.93 H new ATOM 2766 N LYS B 72 -2.827 4.480 -12.382 1.00 0.80 N ATOM 2767 CA LYS B 72 -1.575 3.734 -12.395 1.00 0.81 C ATOM 2768 C LYS B 72 -1.195 3.423 -10.938 1.00 0.76 C ATOM 2769 O LYS B 72 -1.856 3.886 -10.001 1.00 0.66 O ATOM 2770 CB LYS B 72 -0.500 4.503 -13.197 1.00 0.95 C ATOM 2771 CG LYS B 72 -1.147 5.043 -14.487 1.00 1.34 C ATOM 2772 CD LYS B 72 -0.263 5.705 -15.546 1.00 1.70 C ATOM 2773 CE LYS B 72 -1.252 6.124 -16.655 1.00 2.52 C ATOM 2774 NZ LYS B 72 -0.643 6.788 -17.820 1.00 3.56 N ATOM 0 H LYS B 72 -2.852 5.185 -11.646 1.00 0.80 H new ATOM 0 HA LYS B 72 -1.674 2.780 -12.913 1.00 0.81 H new ATOM 0 HB2 LYS B 72 -0.098 5.323 -12.602 1.00 0.95 H new ATOM 0 HB3 LYS B 72 0.335 3.846 -13.438 1.00 0.95 H new ATOM 0 HG2 LYS B 72 -1.666 4.213 -14.966 1.00 1.34 H new ATOM 0 HG3 LYS B 72 -1.907 5.768 -14.194 1.00 1.34 H new ATOM 0 HD2 LYS B 72 0.268 6.566 -15.140 1.00 1.70 H new ATOM 0 HD3 LYS B 72 0.491 5.014 -15.924 1.00 1.70 H new ATOM 0 HE2 LYS B 72 -1.784 5.237 -16.999 1.00 2.52 H new ATOM 0 HE3 LYS B 72 -1.995 6.794 -16.223 1.00 2.52 H new ATOM 0 HZ1 LYS B 72 -1.363 6.924 -18.558 1.00 3.56 H new ATOM 0 HZ2 LYS B 72 -0.263 7.712 -17.533 1.00 3.56 H new ATOM 0 HZ3 LYS B 72 0.127 6.197 -18.193 1.00 3.56 H new ATOM 2788 N PHE B 73 -0.222 2.533 -10.727 1.00 0.87 N ATOM 2789 CA PHE B 73 -0.072 1.864 -9.435 1.00 0.82 C ATOM 2790 C PHE B 73 0.320 2.840 -8.320 1.00 0.67 C ATOM 2791 O PHE B 73 -0.137 2.698 -7.190 1.00 0.56 O ATOM 2792 CB PHE B 73 0.854 0.638 -9.540 1.00 1.02 C ATOM 2793 CG PHE B 73 2.173 0.939 -10.212 1.00 1.03 C ATOM 2794 CD1 PHE B 73 3.128 1.700 -9.521 1.00 2.55 C ATOM 2795 CD2 PHE B 73 2.315 0.736 -11.598 1.00 1.91 C ATOM 2796 CE1 PHE B 73 4.071 2.443 -10.239 1.00 3.53 C ATOM 2797 CE2 PHE B 73 3.331 1.401 -12.305 1.00 2.61 C ATOM 2798 CZ PHE B 73 4.184 2.292 -11.632 1.00 3.20 C ATOM 0 H PHE B 73 0.467 2.262 -11.428 1.00 0.87 H new ATOM 0 HA PHE B 73 -1.049 1.478 -9.145 1.00 0.82 H new ATOM 0 HB2 PHE B 73 1.045 0.249 -8.540 1.00 1.02 H new ATOM 0 HB3 PHE B 73 0.343 -0.148 -10.096 1.00 1.02 H new ATOM 0 HD1 PHE B 73 3.135 1.712 -8.441 1.00 2.55 H new ATOM 0 HD2 PHE B 73 1.643 0.069 -12.118 1.00 1.91 H new ATOM 0 HE1 PHE B 73 4.716 3.137 -9.720 1.00 3.53 H new ATOM 0 HE2 PHE B 73 3.456 1.228 -13.364 1.00 2.61 H new ATOM 0 HZ PHE B 73 4.922 2.857 -12.182 1.00 3.20 H new ATOM 2808 N ASN B 74 1.156 3.839 -8.614 1.00 0.77 N ATOM 2809 CA ASN B 74 1.575 4.830 -7.622 1.00 0.78 C ATOM 2810 C ASN B 74 0.383 5.657 -7.125 1.00 0.69 C ATOM 2811 O ASN B 74 0.208 5.814 -5.915 1.00 0.68 O ATOM 2812 CB ASN B 74 2.712 5.708 -8.165 1.00 1.04 C ATOM 2813 CG ASN B 74 2.393 6.258 -9.547 1.00 1.96 C ATOM 2814 OD1 ASN B 74 2.678 5.599 -10.542 1.00 3.52 O ATOM 2815 ND2 ASN B 74 1.768 7.425 -9.618 1.00 2.45 N ATOM 0 H ASN B 74 1.559 3.983 -9.540 1.00 0.77 H new ATOM 0 HA ASN B 74 1.971 4.299 -6.756 1.00 0.78 H new ATOM 0 HB2 ASN B 74 2.892 6.535 -7.478 1.00 1.04 H new ATOM 0 HB3 ASN B 74 3.632 5.125 -8.210 1.00 1.04 H new ATOM 0 HD21 ASN B 74 1.505 7.808 -10.526 1.00 2.45 H new ATOM 0 HD22 ASN B 74 1.550 7.940 -8.765 1.00 2.45 H new ATOM 2822 N GLU B 75 -0.442 6.177 -8.043 1.00 0.75 N ATOM 2823 CA GLU B 75 -1.663 6.884 -7.687 1.00 0.67 C ATOM 2824 C GLU B 75 -2.559 5.970 -6.860 1.00 0.62 C ATOM 2825 O GLU B 75 -2.965 6.346 -5.763 1.00 0.70 O ATOM 2826 CB GLU B 75 -2.426 7.367 -8.922 1.00 0.73 C ATOM 2827 CG GLU B 75 -1.614 8.285 -9.848 1.00 1.13 C ATOM 2828 CD GLU B 75 -1.225 7.595 -11.147 1.00 2.20 C ATOM 2829 OE1 GLU B 75 -2.117 6.937 -11.725 1.00 3.30 O ATOM 2830 OE2 GLU B 75 -0.039 7.726 -11.524 1.00 2.94 O ATOM 0 H GLU B 75 -0.276 6.116 -9.048 1.00 0.75 H new ATOM 0 HA GLU B 75 -1.381 7.762 -7.106 1.00 0.67 H new ATOM 0 HB2 GLU B 75 -2.759 6.499 -9.491 1.00 0.73 H new ATOM 0 HB3 GLU B 75 -3.321 7.898 -8.597 1.00 0.73 H new ATOM 0 HG2 GLU B 75 -2.197 9.178 -10.074 1.00 1.13 H new ATOM 0 HG3 GLU B 75 -0.713 8.615 -9.330 1.00 1.13 H new ATOM 2837 N TYR B 76 -2.849 4.771 -7.382 1.00 0.60 N ATOM 2838 CA TYR B 76 -3.617 3.768 -6.654 1.00 0.63 C ATOM 2839 C TYR B 76 -3.098 3.658 -5.226 1.00 0.55 C ATOM 2840 O TYR B 76 -3.884 3.706 -4.288 1.00 0.54 O ATOM 2841 CB TYR B 76 -3.538 2.423 -7.378 1.00 0.71 C ATOM 2842 CG TYR B 76 -4.174 1.238 -6.664 1.00 1.00 C ATOM 2843 CD1 TYR B 76 -3.483 0.587 -5.620 1.00 1.74 C ATOM 2844 CD2 TYR B 76 -5.297 0.613 -7.234 1.00 1.92 C ATOM 2845 CE1 TYR B 76 -3.964 -0.627 -5.099 1.00 1.97 C ATOM 2846 CE2 TYR B 76 -5.771 -0.609 -6.722 1.00 2.26 C ATOM 2847 CZ TYR B 76 -5.101 -1.230 -5.656 1.00 1.81 C ATOM 2848 OH TYR B 76 -5.541 -2.424 -5.167 1.00 2.23 O ATOM 0 H TYR B 76 -2.558 4.476 -8.314 1.00 0.60 H new ATOM 0 HA TYR B 76 -4.664 4.068 -6.614 1.00 0.63 H new ATOM 0 HB2 TYR B 76 -4.012 2.530 -8.353 1.00 0.71 H new ATOM 0 HB3 TYR B 76 -2.488 2.192 -7.558 1.00 0.71 H new ATOM 0 HD1 TYR B 76 -2.580 1.024 -5.219 1.00 1.74 H new ATOM 0 HD2 TYR B 76 -5.800 1.074 -8.071 1.00 1.92 H new ATOM 0 HE1 TYR B 76 -3.457 -1.096 -4.269 1.00 1.97 H new ATOM 0 HE2 TYR B 76 -6.650 -1.069 -7.149 1.00 2.26 H new ATOM 0 HH TYR B 76 -6.339 -2.705 -5.661 1.00 2.23 H new ATOM 2858 N TRP B 77 -1.780 3.530 -5.052 1.00 0.52 N ATOM 2859 CA TRP B 77 -1.183 3.449 -3.735 1.00 0.50 C ATOM 2860 C TRP B 77 -1.613 4.618 -2.854 1.00 0.56 C ATOM 2861 O TRP B 77 -2.342 4.418 -1.887 1.00 0.63 O ATOM 2862 CB TRP B 77 0.337 3.357 -3.841 1.00 0.49 C ATOM 2863 CG TRP B 77 0.846 2.170 -3.130 1.00 0.40 C ATOM 2864 CD1 TRP B 77 1.076 2.142 -1.810 1.00 0.41 C ATOM 2865 CD2 TRP B 77 1.233 0.869 -3.646 1.00 0.43 C ATOM 2866 NE1 TRP B 77 1.581 0.920 -1.465 1.00 0.45 N ATOM 2867 CE2 TRP B 77 1.753 0.113 -2.561 1.00 0.46 C ATOM 2868 CE3 TRP B 77 1.278 0.275 -4.922 1.00 0.53 C ATOM 2869 CZ2 TRP B 77 2.314 -1.151 -2.729 1.00 0.58 C ATOM 2870 CZ3 TRP B 77 1.887 -0.980 -5.092 1.00 0.63 C ATOM 2871 CH2 TRP B 77 2.364 -1.709 -4.005 1.00 0.65 C ATOM 0 H TRP B 77 -1.109 3.481 -5.819 1.00 0.52 H new ATOM 0 HA TRP B 77 -1.543 2.539 -3.256 1.00 0.50 H new ATOM 0 HB2 TRP B 77 0.630 3.310 -4.890 1.00 0.49 H new ATOM 0 HB3 TRP B 77 0.789 4.257 -3.424 1.00 0.49 H new ATOM 0 HD1 TRP B 77 0.891 2.957 -1.126 1.00 0.41 H new ATOM 0 HE1 TRP B 77 1.803 0.642 -0.509 1.00 0.45 H new ATOM 0 HE3 TRP B 77 0.844 0.784 -5.770 1.00 0.53 H new ATOM 0 HZ2 TRP B 77 2.706 -1.692 -1.880 1.00 0.58 H new ATOM 0 HZ3 TRP B 77 1.987 -1.388 -6.087 1.00 0.63 H new ATOM 0 HH2 TRP B 77 2.770 -2.699 -4.150 1.00 0.65 H new ATOM 2882 N ARG B 78 -1.166 5.830 -3.191 1.00 0.58 N ATOM 2883 CA ARG B 78 -1.530 7.071 -2.511 1.00 0.71 C ATOM 2884 C ARG B 78 -3.032 7.038 -2.126 1.00 0.70 C ATOM 2885 O ARG B 78 -3.386 7.158 -0.952 1.00 0.72 O ATOM 2886 CB ARG B 78 -1.167 8.261 -3.437 1.00 0.80 C ATOM 2887 CG ARG B 78 0.345 8.355 -3.767 1.00 1.62 C ATOM 2888 CD ARG B 78 0.721 9.069 -5.081 1.00 1.74 C ATOM 2889 NE ARG B 78 1.206 10.458 -4.900 1.00 2.51 N ATOM 2890 CZ ARG B 78 2.442 10.916 -5.206 1.00 3.65 C ATOM 2891 NH1 ARG B 78 3.462 10.097 -5.442 1.00 4.36 N ATOM 2892 NH2 ARG B 78 2.709 12.222 -5.261 1.00 4.68 N ATOM 0 H ARG B 78 -0.522 5.977 -3.968 1.00 0.58 H new ATOM 0 HA ARG B 78 -0.975 7.189 -1.580 1.00 0.71 H new ATOM 0 HB2 ARG B 78 -1.728 8.170 -4.367 1.00 0.80 H new ATOM 0 HB3 ARG B 78 -1.485 9.189 -2.962 1.00 0.80 H new ATOM 0 HG2 ARG B 78 0.842 8.870 -2.945 1.00 1.62 H new ATOM 0 HG3 ARG B 78 0.750 7.344 -3.801 1.00 1.62 H new ATOM 0 HD2 ARG B 78 1.493 8.490 -5.588 1.00 1.74 H new ATOM 0 HD3 ARG B 78 -0.150 9.083 -5.736 1.00 1.74 H new ATOM 0 HE ARG B 78 0.547 11.131 -4.509 1.00 2.51 H new ATOM 0 HH11 ARG B 78 3.327 9.087 -5.395 1.00 4.36 H new ATOM 0 HH12 ARG B 78 4.380 10.478 -5.670 1.00 4.36 H new ATOM 0 HH21 ARG B 78 1.973 12.902 -5.070 1.00 4.68 H new ATOM 0 HH22 ARG B 78 3.649 12.541 -5.494 1.00 4.68 H new ATOM 2906 N LEU B 79 -3.897 6.753 -3.103 1.00 0.68 N ATOM 2907 CA LEU B 79 -5.347 6.654 -2.941 1.00 0.69 C ATOM 2908 C LEU B 79 -5.787 5.576 -1.932 1.00 0.66 C ATOM 2909 O LEU B 79 -6.659 5.840 -1.105 1.00 0.68 O ATOM 2910 CB LEU B 79 -5.992 6.423 -4.318 1.00 0.78 C ATOM 2911 CG LEU B 79 -6.209 7.688 -5.179 1.00 1.02 C ATOM 2912 CD1 LEU B 79 -5.158 8.798 -5.030 1.00 1.27 C ATOM 2913 CD2 LEU B 79 -6.285 7.286 -6.653 1.00 1.52 C ATOM 0 H LEU B 79 -3.595 6.579 -4.062 1.00 0.68 H new ATOM 0 HA LEU B 79 -5.693 7.597 -2.518 1.00 0.69 H new ATOM 0 HB2 LEU B 79 -5.368 5.727 -4.879 1.00 0.78 H new ATOM 0 HB3 LEU B 79 -6.956 5.937 -4.170 1.00 0.78 H new ATOM 0 HG LEU B 79 -7.139 8.118 -4.808 1.00 1.02 H new ATOM 0 HD11 LEU B 79 -5.416 9.633 -5.682 1.00 1.27 H new ATOM 0 HD12 LEU B 79 -5.134 9.139 -3.995 1.00 1.27 H new ATOM 0 HD13 LEU B 79 -4.178 8.410 -5.307 1.00 1.27 H new ATOM 0 HD21 LEU B 79 -6.438 8.175 -7.265 1.00 1.52 H new ATOM 0 HD22 LEU B 79 -5.355 6.800 -6.946 1.00 1.52 H new ATOM 0 HD23 LEU B 79 -7.117 6.597 -6.800 1.00 1.52 H new ATOM 2925 N ILE B 80 -5.255 4.350 -1.983 1.00 0.63 N ATOM 2926 CA ILE B 80 -5.645 3.321 -1.013 1.00 0.60 C ATOM 2927 C ILE B 80 -5.087 3.647 0.372 1.00 0.54 C ATOM 2928 O ILE B 80 -5.697 3.326 1.389 1.00 0.54 O ATOM 2929 CB ILE B 80 -5.369 1.878 -1.480 1.00 0.64 C ATOM 2930 CG1 ILE B 80 -3.911 1.496 -1.756 1.00 1.00 C ATOM 2931 CG2 ILE B 80 -6.125 1.644 -2.774 1.00 0.66 C ATOM 2932 CD1 ILE B 80 -3.616 0.067 -1.264 1.00 0.66 C ATOM 0 H ILE B 80 -4.566 4.049 -2.672 1.00 0.63 H new ATOM 0 HA ILE B 80 -6.732 3.350 -0.935 1.00 0.60 H new ATOM 0 HB ILE B 80 -5.685 1.263 -0.637 1.00 0.64 H new ATOM 0 HG12 ILE B 80 -3.708 1.566 -2.825 1.00 1.00 H new ATOM 0 HG13 ILE B 80 -3.245 2.201 -1.258 1.00 1.00 H new ATOM 0 HG21 ILE B 80 -5.943 0.627 -3.123 1.00 0.66 H new ATOM 0 HG22 ILE B 80 -7.192 1.784 -2.602 1.00 0.66 H new ATOM 0 HG23 ILE B 80 -5.783 2.353 -3.528 1.00 0.66 H new ATOM 0 HD11 ILE B 80 -2.575 -0.181 -1.471 1.00 0.66 H new ATOM 0 HD12 ILE B 80 -3.797 0.007 -0.191 1.00 0.66 H new ATOM 0 HD13 ILE B 80 -4.267 -0.638 -1.782 1.00 0.66 H new ATOM 2944 N GLY B 81 -3.960 4.351 0.406 1.00 0.54 N ATOM 2945 CA GLY B 81 -3.452 4.987 1.610 1.00 0.56 C ATOM 2946 C GLY B 81 -4.490 5.916 2.225 1.00 0.58 C ATOM 2947 O GLY B 81 -4.811 5.805 3.407 1.00 0.63 O ATOM 0 H GLY B 81 -3.369 4.496 -0.413 1.00 0.54 H new ATOM 0 HA2 GLY B 81 -3.169 4.224 2.335 1.00 0.56 H new ATOM 0 HA3 GLY B 81 -2.550 5.552 1.373 1.00 0.56 H new ATOM 2951 N GLU B 82 -5.033 6.829 1.419 1.00 0.62 N ATOM 2952 CA GLU B 82 -6.131 7.679 1.852 1.00 0.68 C ATOM 2953 C GLU B 82 -7.296 6.810 2.355 1.00 0.69 C ATOM 2954 O GLU B 82 -7.764 6.978 3.480 1.00 0.70 O ATOM 2955 CB GLU B 82 -6.526 8.625 0.716 1.00 0.75 C ATOM 2956 CG GLU B 82 -5.403 9.614 0.358 1.00 0.81 C ATOM 2957 CD GLU B 82 -5.444 10.025 -1.112 1.00 1.94 C ATOM 2958 OE1 GLU B 82 -6.562 10.040 -1.672 1.00 3.13 O ATOM 2959 OE2 GLU B 82 -4.349 10.286 -1.657 1.00 2.95 O ATOM 0 H GLU B 82 -4.726 6.995 0.461 1.00 0.62 H new ATOM 0 HA GLU B 82 -5.824 8.304 2.691 1.00 0.68 H new ATOM 0 HB2 GLU B 82 -6.786 8.040 -0.166 1.00 0.75 H new ATOM 0 HB3 GLU B 82 -7.418 9.181 1.004 1.00 0.75 H new ATOM 0 HG2 GLU B 82 -5.490 10.502 0.984 1.00 0.81 H new ATOM 0 HG3 GLU B 82 -4.437 9.160 0.580 1.00 0.81 H new ATOM 2966 N LEU B 83 -7.712 5.815 1.570 1.00 0.72 N ATOM 2967 CA LEU B 83 -8.757 4.880 1.957 1.00 0.78 C ATOM 2968 C LEU B 83 -8.497 4.292 3.361 1.00 0.76 C ATOM 2969 O LEU B 83 -9.393 4.268 4.202 1.00 0.82 O ATOM 2970 CB LEU B 83 -8.900 3.821 0.856 1.00 0.88 C ATOM 2971 CG LEU B 83 -10.341 3.344 0.648 1.00 1.15 C ATOM 2972 CD1 LEU B 83 -10.352 2.350 -0.516 1.00 2.13 C ATOM 2973 CD2 LEU B 83 -10.890 2.700 1.915 1.00 2.03 C ATOM 0 H LEU B 83 -7.327 5.638 0.642 1.00 0.72 H new ATOM 0 HA LEU B 83 -9.713 5.396 2.047 1.00 0.78 H new ATOM 0 HB2 LEU B 83 -8.523 4.230 -0.081 1.00 0.88 H new ATOM 0 HB3 LEU B 83 -8.274 2.964 1.105 1.00 0.88 H new ATOM 0 HG LEU B 83 -10.982 4.195 0.417 1.00 1.15 H new ATOM 0 HD11 LEU B 83 -11.369 1.996 -0.683 1.00 2.13 H new ATOM 0 HD12 LEU B 83 -9.986 2.841 -1.418 1.00 2.13 H new ATOM 0 HD13 LEU B 83 -9.708 1.503 -0.278 1.00 2.13 H new ATOM 0 HD21 LEU B 83 -11.914 2.370 1.741 1.00 2.03 H new ATOM 0 HD22 LEU B 83 -10.273 1.843 2.184 1.00 2.03 H new ATOM 0 HD23 LEU B 83 -10.876 3.426 2.728 1.00 2.03 H new ATOM 2985 N ALA B 84 -7.261 3.870 3.654 1.00 0.73 N ATOM 2986 CA ALA B 84 -6.893 3.373 4.977 1.00 0.75 C ATOM 2987 C ALA B 84 -7.182 4.358 6.125 1.00 0.77 C ATOM 2988 O ALA B 84 -7.455 3.909 7.238 1.00 0.86 O ATOM 2989 CB ALA B 84 -5.428 2.923 4.982 1.00 0.72 C ATOM 0 H ALA B 84 -6.494 3.865 2.981 1.00 0.73 H new ATOM 0 HA ALA B 84 -7.538 2.516 5.173 1.00 0.75 H new ATOM 0 HB1 ALA B 84 -5.164 2.554 5.973 1.00 0.72 H new ATOM 0 HB2 ALA B 84 -5.289 2.127 4.250 1.00 0.72 H new ATOM 0 HB3 ALA B 84 -4.787 3.767 4.726 1.00 0.72 H new ATOM 2995 N LYS B 85 -7.115 5.682 5.906 1.00 0.79 N ATOM 2996 CA LYS B 85 -7.538 6.646 6.930 1.00 0.91 C ATOM 2997 C LYS B 85 -9.067 6.812 6.945 1.00 0.95 C ATOM 2998 O LYS B 85 -9.653 6.991 8.015 1.00 1.16 O ATOM 2999 CB LYS B 85 -6.760 7.981 6.880 1.00 1.10 C ATOM 3000 CG LYS B 85 -6.665 8.670 5.514 1.00 1.48 C ATOM 3001 CD LYS B 85 -6.087 10.093 5.591 1.00 1.35 C ATOM 3002 CE LYS B 85 -5.808 10.650 4.177 1.00 2.57 C ATOM 3003 NZ LYS B 85 -5.909 12.125 4.094 1.00 2.99 N ATOM 0 H LYS B 85 -6.777 6.103 5.041 1.00 0.79 H new ATOM 0 HA LYS B 85 -7.266 6.223 7.897 1.00 0.91 H new ATOM 0 HB2 LYS B 85 -7.228 8.674 7.579 1.00 1.10 H new ATOM 0 HB3 LYS B 85 -5.748 7.799 7.241 1.00 1.10 H new ATOM 0 HG2 LYS B 85 -6.042 8.067 4.853 1.00 1.48 H new ATOM 0 HG3 LYS B 85 -7.658 8.712 5.066 1.00 1.48 H new ATOM 0 HD2 LYS B 85 -6.786 10.747 6.113 1.00 1.35 H new ATOM 0 HD3 LYS B 85 -5.165 10.085 6.172 1.00 1.35 H new ATOM 0 HE2 LYS B 85 -4.810 10.344 3.865 1.00 2.57 H new ATOM 0 HE3 LYS B 85 -6.512 10.205 3.474 1.00 2.57 H new ATOM 0 HZ1 LYS B 85 -5.645 12.438 3.138 1.00 2.99 H new ATOM 0 HZ2 LYS B 85 -6.886 12.418 4.296 1.00 2.99 H new ATOM 0 HZ3 LYS B 85 -5.267 12.557 4.789 1.00 2.99 H new ATOM 3017 N GLU B 86 -9.710 6.739 5.774 1.00 0.83 N ATOM 3018 CA GLU B 86 -11.164 6.806 5.615 1.00 0.91 C ATOM 3019 C GLU B 86 -11.832 5.678 6.405 1.00 1.02 C ATOM 3020 O GLU B 86 -12.377 5.940 7.479 1.00 1.11 O ATOM 3021 CB GLU B 86 -11.515 6.775 4.125 1.00 0.91 C ATOM 3022 CG GLU B 86 -10.964 8.041 3.475 1.00 1.10 C ATOM 3023 CD GLU B 86 -10.917 7.943 1.966 1.00 1.59 C ATOM 3024 OE1 GLU B 86 -11.791 7.281 1.366 1.00 2.28 O ATOM 3025 OE2 GLU B 86 -9.978 8.519 1.377 1.00 2.59 O ATOM 0 H GLU B 86 -9.218 6.629 4.887 1.00 0.83 H new ATOM 0 HA GLU B 86 -11.546 7.743 6.021 1.00 0.91 H new ATOM 0 HB2 GLU B 86 -11.089 5.890 3.653 1.00 0.91 H new ATOM 0 HB3 GLU B 86 -12.595 6.719 3.991 1.00 0.91 H new ATOM 0 HG2 GLU B 86 -11.582 8.892 3.762 1.00 1.10 H new ATOM 0 HG3 GLU B 86 -9.961 8.234 3.855 1.00 1.10 H new ATOM 3032 N ILE B 87 -11.751 4.430 5.939 1.00 1.03 N ATOM 3033 CA ILE B 87 -12.352 3.299 6.624 1.00 1.11 C ATOM 3034 C ILE B 87 -11.395 2.927 7.757 1.00 1.14 C ATOM 3035 O ILE B 87 -10.302 2.405 7.544 1.00 1.15 O ATOM 3036 CB ILE B 87 -12.655 2.152 5.633 1.00 1.14 C ATOM 3037 CG1 ILE B 87 -13.820 1.260 6.103 1.00 1.37 C ATOM 3038 CG2 ILE B 87 -11.450 1.311 5.189 1.00 1.31 C ATOM 3039 CD1 ILE B 87 -13.616 0.587 7.463 1.00 1.65 C ATOM 0 H ILE B 87 -11.266 4.182 5.077 1.00 1.03 H new ATOM 0 HA ILE B 87 -13.325 3.537 7.053 1.00 1.11 H new ATOM 0 HB ILE B 87 -12.964 2.680 4.731 1.00 1.14 H new ATOM 0 HG12 ILE B 87 -14.726 1.865 6.147 1.00 1.37 H new ATOM 0 HG13 ILE B 87 -13.990 0.486 5.354 1.00 1.37 H new ATOM 0 HG21 ILE B 87 -11.781 0.538 4.496 1.00 1.31 H new ATOM 0 HG22 ILE B 87 -10.721 1.953 4.695 1.00 1.31 H new ATOM 0 HG23 ILE B 87 -10.991 0.844 6.061 1.00 1.31 H new ATOM 0 HD11 ILE B 87 -14.490 -0.018 7.704 1.00 1.65 H new ATOM 0 HD12 ILE B 87 -12.733 -0.050 7.425 1.00 1.65 H new ATOM 0 HD13 ILE B 87 -13.480 1.350 8.230 1.00 1.65 H new ATOM 3051 N ARG B 88 -11.788 3.256 8.991 1.00 1.25 N ATOM 3052 CA ARG B 88 -10.911 3.187 10.150 1.00 1.36 C ATOM 3053 C ARG B 88 -10.867 1.745 10.656 1.00 1.27 C ATOM 3054 O ARG B 88 -11.269 1.447 11.777 1.00 1.42 O ATOM 3055 CB ARG B 88 -11.410 4.185 11.210 1.00 1.61 C ATOM 3056 CG ARG B 88 -10.432 4.429 12.370 1.00 2.03 C ATOM 3057 CD ARG B 88 -9.151 5.131 11.902 1.00 3.00 C ATOM 3058 NE ARG B 88 -8.365 5.614 13.048 1.00 3.93 N ATOM 3059 CZ ARG B 88 -7.217 6.305 12.947 1.00 5.13 C ATOM 3060 NH1 ARG B 88 -6.697 6.558 11.741 1.00 5.86 N ATOM 3061 NH2 ARG B 88 -6.602 6.738 14.055 1.00 6.14 N ATOM 0 H ARG B 88 -12.731 3.579 9.209 1.00 1.25 H new ATOM 0 HA ARG B 88 -9.889 3.468 9.896 1.00 1.36 H new ATOM 0 HB2 ARG B 88 -11.620 5.137 10.723 1.00 1.61 H new ATOM 0 HB3 ARG B 88 -12.353 3.821 11.618 1.00 1.61 H new ATOM 0 HG2 ARG B 88 -10.919 5.035 13.134 1.00 2.03 H new ATOM 0 HG3 ARG B 88 -10.175 3.477 12.834 1.00 2.03 H new ATOM 0 HD2 ARG B 88 -8.550 4.441 11.309 1.00 3.00 H new ATOM 0 HD3 ARG B 88 -9.407 5.969 11.254 1.00 3.00 H new ATOM 0 HE ARG B 88 -8.716 5.410 13.984 1.00 3.93 H new ATOM 0 HH11 ARG B 88 -7.172 6.227 10.901 1.00 5.86 H new ATOM 0 HH12 ARG B 88 -5.826 7.082 11.661 1.00 5.86 H new ATOM 0 HH21 ARG B 88 -7.005 6.543 14.971 1.00 6.14 H new ATOM 0 HH22 ARG B 88 -5.730 7.263 13.983 1.00 6.14 H new ATOM 3075 N LYS B 89 -10.364 0.847 9.809 1.00 1.31 N ATOM 3076 CA LYS B 89 -10.341 -0.583 10.064 1.00 1.31 C ATOM 3077 C LYS B 89 -9.350 -0.953 11.162 1.00 1.55 C ATOM 3078 O LYS B 89 -9.420 -2.052 11.698 1.00 1.55 O ATOM 3079 CB LYS B 89 -10.073 -1.331 8.753 1.00 1.94 C ATOM 3080 CG LYS B 89 -8.605 -1.429 8.316 1.00 1.46 C ATOM 3081 CD LYS B 89 -8.464 -1.619 6.796 1.00 1.93 C ATOM 3082 CE LYS B 89 -9.496 -2.548 6.132 1.00 2.77 C ATOM 3083 NZ LYS B 89 -9.323 -3.983 6.420 1.00 3.82 N ATOM 0 H LYS B 89 -9.955 1.104 8.911 1.00 1.31 H new ATOM 0 HA LYS B 89 -11.318 -0.889 10.439 1.00 1.31 H new ATOM 0 HB2 LYS B 89 -10.470 -2.342 8.848 1.00 1.94 H new ATOM 0 HB3 LYS B 89 -10.635 -0.841 7.958 1.00 1.94 H new ATOM 0 HG2 LYS B 89 -8.076 -0.525 8.618 1.00 1.46 H new ATOM 0 HG3 LYS B 89 -8.129 -2.264 8.831 1.00 1.46 H new ATOM 0 HD2 LYS B 89 -8.527 -0.640 6.320 1.00 1.93 H new ATOM 0 HD3 LYS B 89 -7.468 -2.010 6.590 1.00 1.93 H new ATOM 0 HE2 LYS B 89 -10.493 -2.247 6.454 1.00 2.77 H new ATOM 0 HE3 LYS B 89 -9.452 -2.402 5.053 1.00 2.77 H new ATOM 0 HZ1 LYS B 89 -10.254 -4.446 6.447 1.00 3.82 H new ATOM 0 HZ2 LYS B 89 -8.741 -4.419 5.676 1.00 3.82 H new ATOM 0 HZ3 LYS B 89 -8.852 -4.098 7.340 1.00 3.82 H new ATOM 3097 N LYS B 90 -8.395 -0.062 11.460 1.00 2.04 N ATOM 3098 CA LYS B 90 -7.206 -0.320 12.263 1.00 2.82 C ATOM 3099 C LYS B 90 -7.501 -0.415 13.773 1.00 2.03 C ATOM 3100 O LYS B 90 -6.797 0.181 14.586 1.00 2.21 O ATOM 3101 CB LYS B 90 -6.160 0.750 11.895 1.00 4.44 C ATOM 3102 CG LYS B 90 -4.724 0.401 12.317 1.00 5.65 C ATOM 3103 CD LYS B 90 -3.729 1.303 11.567 1.00 7.46 C ATOM 3104 CE LYS B 90 -2.267 0.947 11.869 1.00 8.84 C ATOM 3105 NZ LYS B 90 -1.834 1.425 13.196 1.00 9.57 N ATOM 0 H LYS B 90 -8.438 0.902 11.129 1.00 2.04 H new ATOM 0 HA LYS B 90 -6.806 -1.307 12.031 1.00 2.82 H new ATOM 0 HB2 LYS B 90 -6.182 0.907 10.817 1.00 4.44 H new ATOM 0 HB3 LYS B 90 -6.444 1.694 12.360 1.00 4.44 H new ATOM 0 HG2 LYS B 90 -4.609 0.532 13.393 1.00 5.65 H new ATOM 0 HG3 LYS B 90 -4.515 -0.646 12.100 1.00 5.65 H new ATOM 0 HD2 LYS B 90 -3.905 1.219 10.495 1.00 7.46 H new ATOM 0 HD3 LYS B 90 -3.910 2.343 11.840 1.00 7.46 H new ATOM 0 HE2 LYS B 90 -2.141 -0.134 11.817 1.00 8.84 H new ATOM 0 HE3 LYS B 90 -1.625 1.380 11.102 1.00 8.84 H new ATOM 0 HZ1 LYS B 90 -0.964 0.929 13.477 1.00 9.57 H new ATOM 0 HZ2 LYS B 90 -1.651 2.448 13.154 1.00 9.57 H new ATOM 0 HZ3 LYS B 90 -2.581 1.235 13.894 1.00 9.57 H new ATOM 3119 N LYS B 91 -8.500 -1.217 14.146 1.00 1.82 N ATOM 3120 CA LYS B 91 -8.659 -1.812 15.462 1.00 2.11 C ATOM 3121 C LYS B 91 -9.460 -3.105 15.277 1.00 2.09 C ATOM 3122 O LYS B 91 -8.950 -4.196 15.520 1.00 2.46 O ATOM 3123 CB LYS B 91 -9.336 -0.831 16.440 1.00 3.02 C ATOM 3124 CG LYS B 91 -9.748 -1.543 17.741 1.00 3.31 C ATOM 3125 CD LYS B 91 -10.126 -0.598 18.893 1.00 4.06 C ATOM 3126 CE LYS B 91 -11.229 0.429 18.590 1.00 4.98 C ATOM 3127 NZ LYS B 91 -12.427 -0.155 17.955 1.00 5.59 N ATOM 0 H LYS B 91 -9.250 -1.477 13.506 1.00 1.82 H new ATOM 0 HA LYS B 91 -7.691 -2.041 15.907 1.00 2.11 H new ATOM 0 HB2 LYS B 91 -8.654 -0.013 16.670 1.00 3.02 H new ATOM 0 HB3 LYS B 91 -10.215 -0.391 15.969 1.00 3.02 H new ATOM 0 HG2 LYS B 91 -10.595 -2.196 17.530 1.00 3.31 H new ATOM 0 HG3 LYS B 91 -8.927 -2.182 18.066 1.00 3.31 H new ATOM 0 HD2 LYS B 91 -10.444 -1.202 19.743 1.00 4.06 H new ATOM 0 HD3 LYS B 91 -9.231 -0.059 19.203 1.00 4.06 H new ATOM 0 HE2 LYS B 91 -11.523 0.918 19.519 1.00 4.98 H new ATOM 0 HE3 LYS B 91 -10.824 1.202 17.938 1.00 4.98 H new ATOM 0 HZ1 LYS B 91 -13.267 0.396 18.226 1.00 5.59 H new ATOM 0 HZ2 LYS B 91 -12.317 -0.133 16.921 1.00 5.59 H new ATOM 0 HZ3 LYS B 91 -12.542 -1.139 18.270 1.00 5.59 H new ATOM 3141 N ASP B 92 -10.700 -2.991 14.798 1.00 2.09 N ATOM 3142 CA ASP B 92 -11.651 -4.097 14.808 1.00 2.37 C ATOM 3143 C ASP B 92 -11.631 -4.787 13.440 1.00 1.69 C ATOM 3144 O ASP B 92 -12.668 -4.943 12.800 1.00 1.91 O ATOM 3145 CB ASP B 92 -13.050 -3.535 15.160 1.00 3.34 C ATOM 3146 CG ASP B 92 -12.990 -2.359 16.117 1.00 4.43 C ATOM 3147 OD1 ASP B 92 -12.634 -1.256 15.639 1.00 5.29 O ATOM 3148 OD2 ASP B 92 -13.174 -2.527 17.343 1.00 4.97 O ATOM 0 H ASP B 92 -11.070 -2.131 14.394 1.00 2.09 H new ATOM 0 HA ASP B 92 -11.385 -4.844 15.556 1.00 2.37 H new ATOM 0 HB2 ASP B 92 -13.553 -3.226 14.244 1.00 3.34 H new ATOM 0 HB3 ASP B 92 -13.653 -4.327 15.603 1.00 3.34 H new ATOM 3153 N LEU B 93 -10.450 -5.242 12.999 1.00 1.38 N ATOM 3154 CA LEU B 93 -10.247 -5.509 11.574 1.00 1.38 C ATOM 3155 C LEU B 93 -11.151 -6.653 11.110 1.00 1.20 C ATOM 3156 O LEU B 93 -12.070 -6.492 10.312 1.00 1.34 O ATOM 3157 CB LEU B 93 -8.786 -5.968 11.337 1.00 2.08 C ATOM 3158 CG LEU B 93 -7.657 -4.928 11.308 1.00 2.64 C ATOM 3159 CD1 LEU B 93 -7.420 -4.283 12.675 1.00 3.74 C ATOM 3160 CD2 LEU B 93 -6.345 -5.626 10.930 1.00 3.60 C ATOM 0 H LEU B 93 -9.642 -5.428 13.593 1.00 1.38 H new ATOM 0 HA LEU B 93 -10.473 -4.595 11.025 1.00 1.38 H new ATOM 0 HB2 LEU B 93 -8.542 -6.692 12.115 1.00 2.08 H new ATOM 0 HB3 LEU B 93 -8.762 -6.501 10.386 1.00 2.08 H new ATOM 0 HG LEU B 93 -7.953 -4.162 10.591 1.00 2.64 H new ATOM 0 HD11 LEU B 93 -6.612 -3.556 12.599 1.00 3.74 H new ATOM 0 HD12 LEU B 93 -8.330 -3.781 13.003 1.00 3.74 H new ATOM 0 HD13 LEU B 93 -7.149 -5.052 13.398 1.00 3.74 H new ATOM 0 HD21 LEU B 93 -5.537 -4.895 10.907 1.00 3.60 H new ATOM 0 HD22 LEU B 93 -6.117 -6.396 11.667 1.00 3.60 H new ATOM 0 HD23 LEU B 93 -6.447 -6.085 9.947 1.00 3.60 H new ATOM 3172 N LYS B 94 -10.897 -7.827 11.681 1.00 1.19 N ATOM 3173 CA LYS B 94 -11.629 -9.045 11.399 1.00 1.17 C ATOM 3174 C LYS B 94 -12.932 -9.160 12.184 1.00 1.27 C ATOM 3175 O LYS B 94 -13.817 -9.932 11.826 1.00 1.32 O ATOM 3176 CB LYS B 94 -10.709 -10.266 11.292 1.00 1.57 C ATOM 3177 CG LYS B 94 -9.437 -10.341 12.144 1.00 2.54 C ATOM 3178 CD LYS B 94 -8.457 -11.326 11.477 1.00 3.56 C ATOM 3179 CE LYS B 94 -7.422 -10.684 10.525 1.00 4.83 C ATOM 3180 NZ LYS B 94 -7.978 -10.172 9.250 1.00 5.78 N ATOM 0 H LYS B 94 -10.156 -7.954 12.370 1.00 1.19 H new ATOM 0 HA LYS B 94 -12.027 -8.995 10.386 1.00 1.17 H new ATOM 0 HB2 LYS B 94 -11.309 -11.146 11.526 1.00 1.57 H new ATOM 0 HB3 LYS B 94 -10.407 -10.354 10.249 1.00 1.57 H new ATOM 0 HG2 LYS B 94 -8.981 -9.355 12.231 1.00 2.54 H new ATOM 0 HG3 LYS B 94 -9.677 -10.672 13.154 1.00 2.54 H new ATOM 0 HD2 LYS B 94 -7.922 -11.866 12.258 1.00 3.56 H new ATOM 0 HD3 LYS B 94 -9.033 -12.063 10.917 1.00 3.56 H new ATOM 0 HE2 LYS B 94 -6.932 -9.862 11.046 1.00 4.83 H new ATOM 0 HE3 LYS B 94 -6.652 -11.422 10.298 1.00 4.83 H new ATOM 0 HZ1 LYS B 94 -7.299 -10.345 8.481 1.00 5.78 H new ATOM 0 HZ2 LYS B 94 -8.871 -10.661 9.040 1.00 5.78 H new ATOM 0 HZ3 LYS B 94 -8.154 -9.150 9.333 1.00 5.78 H new ATOM 3194 N ILE B 95 -13.054 -8.373 13.254 1.00 1.47 N ATOM 3195 CA ILE B 95 -14.326 -8.137 13.921 1.00 1.73 C ATOM 3196 C ILE B 95 -15.329 -7.476 12.956 1.00 1.84 C ATOM 3197 O ILE B 95 -16.534 -7.605 13.168 1.00 2.11 O ATOM 3198 CB ILE B 95 -14.079 -7.324 15.209 1.00 2.05 C ATOM 3199 CG1 ILE B 95 -13.235 -8.163 16.190 1.00 2.82 C ATOM 3200 CG2 ILE B 95 -15.390 -6.873 15.872 1.00 2.70 C ATOM 3201 CD1 ILE B 95 -12.803 -7.391 17.443 1.00 3.23 C ATOM 0 H ILE B 95 -12.268 -7.882 13.680 1.00 1.47 H new ATOM 0 HA ILE B 95 -14.782 -9.081 14.218 1.00 1.73 H new ATOM 0 HB ILE B 95 -13.536 -6.418 14.938 1.00 2.05 H new ATOM 0 HG12 ILE B 95 -13.809 -9.039 16.493 1.00 2.82 H new ATOM 0 HG13 ILE B 95 -12.347 -8.527 15.673 1.00 2.82 H new ATOM 0 HG21 ILE B 95 -15.165 -6.305 16.774 1.00 2.70 H new ATOM 0 HG22 ILE B 95 -15.951 -6.246 15.179 1.00 2.70 H new ATOM 0 HG23 ILE B 95 -15.985 -7.748 16.133 1.00 2.70 H new ATOM 0 HD11 ILE B 95 -12.213 -8.043 18.087 1.00 3.23 H new ATOM 0 HD12 ILE B 95 -12.202 -6.530 17.151 1.00 3.23 H new ATOM 0 HD13 ILE B 95 -13.686 -7.050 17.983 1.00 3.23 H new ATOM 3213 N ARG B 96 -14.860 -6.831 11.877 1.00 1.75 N ATOM 3214 CA ARG B 96 -15.712 -6.171 10.892 1.00 2.04 C ATOM 3215 C ARG B 96 -16.506 -5.019 11.538 1.00 2.60 C ATOM 3216 O ARG B 96 -16.225 -4.599 12.658 1.00 3.81 O ATOM 3217 CB ARG B 96 -16.677 -7.163 10.216 1.00 2.11 C ATOM 3218 CG ARG B 96 -16.107 -8.530 9.802 1.00 2.28 C ATOM 3219 CD ARG B 96 -16.636 -9.716 10.628 1.00 3.34 C ATOM 3220 NE ARG B 96 -18.109 -9.810 10.619 1.00 3.44 N ATOM 3221 CZ ARG B 96 -18.862 -10.923 10.647 1.00 3.91 C ATOM 3222 NH1 ARG B 96 -18.342 -12.129 10.398 1.00 4.38 N ATOM 3223 NH2 ARG B 96 -20.161 -10.829 10.936 1.00 4.86 N ATOM 0 H ARG B 96 -13.865 -6.756 11.667 1.00 1.75 H new ATOM 0 HA ARG B 96 -15.057 -5.762 10.123 1.00 2.04 H new ATOM 0 HB2 ARG B 96 -17.512 -7.337 10.895 1.00 2.11 H new ATOM 0 HB3 ARG B 96 -17.085 -6.684 9.326 1.00 2.11 H new ATOM 0 HG2 ARG B 96 -16.338 -8.703 8.751 1.00 2.28 H new ATOM 0 HG3 ARG B 96 -15.021 -8.498 9.889 1.00 2.28 H new ATOM 0 HD2 ARG B 96 -16.215 -10.642 10.236 1.00 3.34 H new ATOM 0 HD3 ARG B 96 -16.289 -9.619 11.657 1.00 3.34 H new ATOM 0 HE ARG B 96 -18.616 -8.925 10.588 1.00 3.44 H new ATOM 0 HH11 ARG B 96 -17.350 -12.221 10.180 1.00 4.38 H new ATOM 0 HH12 ARG B 96 -18.937 -12.957 10.426 1.00 4.38 H new ATOM 0 HH21 ARG B 96 -20.575 -9.918 11.133 1.00 4.86 H new ATOM 0 HH22 ARG B 96 -20.740 -11.668 10.960 1.00 4.86 H new