USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=44 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 36 ASN : amide:sc= 1.02 X(o=0.96,f=0.83) USER MOD Set 1.2: B 67 GLN : amide:sc= -0.0553 X(o=0.96,f=0.83) USER MOD Set 2.1: B 55 SER OG : rot -130:sc= 1.18 USER MOD Set 2.2: B 85 LYS NZ :NH3+ 162:sc= 1.18 (180deg=-0.0148) USER MOD Set 3.1: B 39 LYS NZ :NH3+ -160:sc= 2.34 (180deg=0.364) USER MOD Set 3.2: B 43 THR OG1 : rot 74:sc= 2.37 USER MOD Set 4.1: A 55 SER OG : rot -66:sc= 2.34 USER MOD Set 4.2: A 85 LYS NZ :NH3+ -157:sc= 1.17 (180deg=0) USER MOD Set 5.1: A 36 ASN : amide:sc= 1.68 K(o=3.7,f=-11!) USER MOD Set 5.2: A 39 LYS NZ :NH3+ -175:sc= 1.8 (180deg=0.631) USER MOD Set 5.3: A 67 GLN : amide:sc= 0.261 K(o=3.7,f=-9.4!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 150:sc= 0 USER MOD Single : A 15 THR OG1 : rot 138:sc= 1.19 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 168:sc= 0.516 USER MOD Single : A 34 SER OG : rot 81:sc= 0.939 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 45 GLN : amide:sc= 0.0607 K(o=0.061,f=-5.9!) USER MOD Single : A 48 HIS : no HE2:sc= -0.435 K(o=-0.44,f=-4.4!) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= -0.0777 (180deg=-0.162) USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= -0.546! (180deg=-1.49!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 1.19 (180deg=0.865) USER MOD Single : A 62 SER OG : rot 76:sc= 1.2 USER MOD Single : A 66 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.021) USER MOD Single : A 69 SER OG : rot 87:sc= 0.969 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= 2.27 (180deg=1.69) USER MOD Single : A 74 ASN : amide:sc= -0.696 K(o=-0.7,f=-3.8) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -145:sc= 0.0068 (180deg=-5.54!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 1.7! (180deg=1.32!) USER MOD Single : B 7 THR OG1 : rot 17:sc= 0.635 USER MOD Single : B 12 SER OG : rot 65:sc= 1.2 USER MOD Single : B 15 THR OG1 : rot 74:sc= 0.995 USER MOD Single : B 18 THR OG1 : rot 88:sc= 0.934 USER MOD Single : B 19 THR OG1 : rot 73:sc= 1.16 USER MOD Single : B 22 THR OG1 : rot 21:sc= 0.797 USER MOD Single : B 30 LYS NZ :NH3+ -175:sc= 0.536 (180deg=0.351) USER MOD Single : B 32 SER OG : rot -25:sc= 0.383 USER MOD Single : B 34 SER OG : rot 81:sc= 1.23 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 45 GLN : amide:sc= -0.86 X(o=-0.86,f=-0.37) USER MOD Single : B 48 HIS : no HD1:sc= -0.366 K(o=-0.37,f=-1.6) USER MOD Single : B 51 LYS NZ :NH3+ -148:sc= -0.261 (180deg=-1.58!) USER MOD Single : B 59 LYS NZ :NH3+ 167:sc= -0.461 (180deg=-0.899) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -159:sc= 1.04 (180deg=-1.4!) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -0.421 K(o=-0.42,f=-2.5) USER MOD Single : B 69 SER OG : rot -39:sc= 0.767 USER MOD Single : B 72 LYS NZ :NH3+ -172:sc= 0.605 (180deg=0.42) USER MOD Single : B 74 ASN : amide:sc= 0.111 K(o=0.11,f=-5.4!) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ 174:sc= 1.71 (180deg=1.67) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ 170:sc= -0.538 (180deg=-0.979) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0.957 (180deg=0.957) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -14.777 -12.869 8.206 1.00 1.34 N ATOM 41 CA GLU A 4 -15.215 -11.630 7.571 1.00 1.21 C ATOM 42 C GLU A 4 -15.014 -11.796 6.061 1.00 1.18 C ATOM 43 O GLU A 4 -14.106 -12.525 5.656 1.00 1.18 O ATOM 44 CB GLU A 4 -14.438 -10.425 8.143 1.00 1.13 C ATOM 45 CG GLU A 4 -13.646 -10.776 9.404 1.00 2.23 C ATOM 46 CD GLU A 4 -14.569 -11.166 10.558 1.00 3.97 C ATOM 47 OE1 GLU A 4 -15.785 -10.869 10.467 1.00 4.80 O ATOM 48 OE2 GLU A 4 -14.061 -11.863 11.462 1.00 4.98 O ATOM 0 HA GLU A 4 -16.267 -11.431 7.773 1.00 1.21 H new ATOM 0 HB2 GLU A 4 -13.754 -10.046 7.384 1.00 1.13 H new ATOM 0 HB3 GLU A 4 -15.139 -9.622 8.371 1.00 1.13 H new ATOM 0 HG2 GLU A 4 -12.964 -11.599 9.189 1.00 2.23 H new ATOM 0 HG3 GLU A 4 -13.034 -9.924 9.699 1.00 2.23 H new ATOM 55 N PRO A 5 -15.830 -11.160 5.206 1.00 1.29 N ATOM 56 CA PRO A 5 -15.823 -11.409 3.777 1.00 1.36 C ATOM 57 C PRO A 5 -14.722 -10.570 3.121 1.00 1.26 C ATOM 58 O PRO A 5 -14.981 -9.735 2.255 1.00 1.40 O ATOM 59 CB PRO A 5 -17.240 -11.054 3.320 1.00 1.61 C ATOM 60 CG PRO A 5 -17.662 -9.935 4.275 1.00 1.71 C ATOM 61 CD PRO A 5 -16.815 -10.147 5.534 1.00 1.48 C ATOM 0 HA PRO A 5 -15.594 -12.437 3.498 1.00 1.36 H new ATOM 0 HB2 PRO A 5 -17.254 -10.721 2.282 1.00 1.61 H new ATOM 0 HB3 PRO A 5 -17.909 -11.912 3.388 1.00 1.61 H new ATOM 0 HG2 PRO A 5 -17.480 -8.953 3.838 1.00 1.71 H new ATOM 0 HG3 PRO A 5 -18.727 -9.990 4.502 1.00 1.71 H new ATOM 0 HD2 PRO A 5 -16.330 -9.219 5.835 1.00 1.48 H new ATOM 0 HD3 PRO A 5 -17.437 -10.468 6.370 1.00 1.48 H new ATOM 69 N LEU A 6 -13.479 -10.824 3.530 1.00 1.10 N ATOM 70 CA LEU A 6 -12.310 -10.125 3.026 1.00 1.01 C ATOM 71 C LEU A 6 -11.887 -10.731 1.683 1.00 0.94 C ATOM 72 O LEU A 6 -11.973 -11.942 1.483 1.00 1.21 O ATOM 73 CB LEU A 6 -11.187 -10.182 4.076 1.00 1.02 C ATOM 74 CG LEU A 6 -10.679 -11.599 4.413 1.00 1.14 C ATOM 75 CD1 LEU A 6 -9.386 -11.916 3.650 1.00 1.82 C ATOM 76 CD2 LEU A 6 -10.399 -11.705 5.916 1.00 1.88 C ATOM 0 H LEU A 6 -13.259 -11.532 4.231 1.00 1.10 H new ATOM 0 HA LEU A 6 -12.541 -9.074 2.850 1.00 1.01 H new ATOM 0 HB2 LEU A 6 -10.347 -9.587 3.719 1.00 1.02 H new ATOM 0 HB3 LEU A 6 -11.544 -9.713 4.993 1.00 1.02 H new ATOM 0 HG LEU A 6 -11.450 -12.311 4.119 1.00 1.14 H new ATOM 0 HD11 LEU A 6 -9.050 -12.921 3.906 1.00 1.82 H new ATOM 0 HD12 LEU A 6 -9.573 -11.858 2.578 1.00 1.82 H new ATOM 0 HD13 LEU A 6 -8.616 -11.195 3.924 1.00 1.82 H new ATOM 0 HD21 LEU A 6 -10.040 -12.708 6.149 1.00 1.88 H new ATOM 0 HD22 LEU A 6 -9.641 -10.974 6.197 1.00 1.88 H new ATOM 0 HD23 LEU A 6 -11.316 -11.509 6.472 1.00 1.88 H new ATOM 88 N THR A 7 -11.476 -9.871 0.748 1.00 0.86 N ATOM 89 CA THR A 7 -11.033 -10.221 -0.600 1.00 0.84 C ATOM 90 C THR A 7 -9.573 -9.775 -0.753 1.00 0.80 C ATOM 91 O THR A 7 -9.105 -8.986 0.061 1.00 0.85 O ATOM 92 CB THR A 7 -11.970 -9.519 -1.600 1.00 0.99 C ATOM 93 OG1 THR A 7 -13.309 -9.869 -1.311 1.00 1.43 O ATOM 94 CG2 THR A 7 -11.702 -9.897 -3.061 1.00 1.32 C ATOM 0 H THR A 7 -11.442 -8.866 0.920 1.00 0.86 H new ATOM 0 HA THR A 7 -11.076 -11.294 -0.788 1.00 0.84 H new ATOM 0 HB THR A 7 -11.786 -8.450 -1.488 1.00 0.99 H new ATOM 0 HG1 THR A 7 -13.908 -9.422 -1.945 1.00 1.43 H new ATOM 0 HG21 THR A 7 -12.399 -9.365 -3.708 1.00 1.32 H new ATOM 0 HG22 THR A 7 -10.680 -9.624 -3.326 1.00 1.32 H new ATOM 0 HG23 THR A 7 -11.836 -10.971 -3.189 1.00 1.32 H new ATOM 102 N GLU A 8 -8.867 -10.248 -1.788 1.00 0.82 N ATOM 103 CA GLU A 8 -7.442 -10.006 -2.040 1.00 0.84 C ATOM 104 C GLU A 8 -7.009 -8.565 -1.718 1.00 0.78 C ATOM 105 O GLU A 8 -6.012 -8.351 -1.029 1.00 0.80 O ATOM 106 CB GLU A 8 -7.132 -10.369 -3.504 1.00 0.95 C ATOM 107 CG GLU A 8 -5.641 -10.587 -3.801 1.00 2.22 C ATOM 108 CD GLU A 8 -5.191 -12.034 -3.633 1.00 3.28 C ATOM 109 OE1 GLU A 8 -5.804 -12.732 -2.797 1.00 3.96 O ATOM 110 OE2 GLU A 8 -4.257 -12.422 -4.369 1.00 4.37 O ATOM 0 H GLU A 8 -9.293 -10.836 -2.504 1.00 0.82 H new ATOM 0 HA GLU A 8 -6.865 -10.639 -1.367 1.00 0.84 H new ATOM 0 HB2 GLU A 8 -7.678 -11.276 -3.764 1.00 0.95 H new ATOM 0 HB3 GLU A 8 -7.506 -9.575 -4.150 1.00 0.95 H new ATOM 0 HG2 GLU A 8 -5.432 -10.266 -4.821 1.00 2.22 H new ATOM 0 HG3 GLU A 8 -5.051 -9.952 -3.140 1.00 2.22 H new ATOM 117 N LEU A 9 -7.763 -7.562 -2.191 1.00 0.74 N ATOM 118 CA LEU A 9 -7.469 -6.167 -1.878 1.00 0.71 C ATOM 119 C LEU A 9 -7.434 -5.976 -0.358 1.00 0.73 C ATOM 120 O LEU A 9 -6.419 -5.566 0.208 1.00 0.80 O ATOM 121 CB LEU A 9 -8.540 -5.248 -2.492 1.00 0.77 C ATOM 122 CG LEU A 9 -8.248 -4.778 -3.928 1.00 0.85 C ATOM 123 CD1 LEU A 9 -8.348 -5.850 -5.020 1.00 1.93 C ATOM 124 CD2 LEU A 9 -9.135 -3.590 -4.297 1.00 2.67 C ATOM 0 H LEU A 9 -8.578 -7.696 -2.790 1.00 0.74 H new ATOM 0 HA LEU A 9 -6.498 -5.907 -2.299 1.00 0.71 H new ATOM 0 HB2 LEU A 9 -9.495 -5.773 -2.485 1.00 0.77 H new ATOM 0 HB3 LEU A 9 -8.653 -4.371 -1.855 1.00 0.77 H new ATOM 0 HG LEU A 9 -7.196 -4.492 -3.902 1.00 0.85 H new ATOM 0 HD11 LEU A 9 -8.122 -5.405 -5.989 1.00 1.93 H new ATOM 0 HD12 LEU A 9 -7.635 -6.648 -4.813 1.00 1.93 H new ATOM 0 HD13 LEU A 9 -9.358 -6.260 -5.036 1.00 1.93 H new ATOM 0 HD21 LEU A 9 -8.913 -3.273 -5.316 1.00 2.67 H new ATOM 0 HD22 LEU A 9 -10.183 -3.883 -4.228 1.00 2.67 H new ATOM 0 HD23 LEU A 9 -8.943 -2.765 -3.610 1.00 2.67 H new ATOM 136 N GLU A 10 -8.568 -6.279 0.278 1.00 0.74 N ATOM 137 CA GLU A 10 -8.811 -6.172 1.709 1.00 0.86 C ATOM 138 C GLU A 10 -7.668 -6.853 2.464 1.00 0.79 C ATOM 139 O GLU A 10 -6.997 -6.220 3.275 1.00 0.79 O ATOM 140 CB GLU A 10 -10.192 -6.790 2.005 1.00 1.13 C ATOM 141 CG GLU A 10 -10.964 -6.154 3.168 1.00 1.26 C ATOM 142 CD GLU A 10 -10.720 -6.820 4.517 1.00 2.05 C ATOM 143 OE1 GLU A 10 -9.581 -7.283 4.736 1.00 3.09 O ATOM 144 OE2 GLU A 10 -11.691 -6.869 5.303 1.00 3.03 O ATOM 0 H GLU A 10 -9.385 -6.625 -0.226 1.00 0.74 H new ATOM 0 HA GLU A 10 -8.832 -5.135 2.045 1.00 0.86 H new ATOM 0 HB2 GLU A 10 -10.803 -6.720 1.105 1.00 1.13 H new ATOM 0 HB3 GLU A 10 -10.058 -7.851 2.217 1.00 1.13 H new ATOM 0 HG2 GLU A 10 -10.689 -5.102 3.240 1.00 1.26 H new ATOM 0 HG3 GLU A 10 -12.030 -6.190 2.945 1.00 1.26 H new ATOM 151 N GLU A 11 -7.383 -8.108 2.108 1.00 0.79 N ATOM 152 CA GLU A 11 -6.276 -8.869 2.665 1.00 0.79 C ATOM 153 C GLU A 11 -4.972 -8.084 2.529 1.00 0.75 C ATOM 154 O GLU A 11 -4.276 -7.860 3.514 1.00 0.76 O ATOM 155 CB GLU A 11 -6.201 -10.252 1.994 1.00 0.91 C ATOM 156 CG GLU A 11 -5.329 -11.252 2.775 1.00 1.03 C ATOM 157 CD GLU A 11 -3.876 -11.295 2.302 1.00 2.32 C ATOM 158 OE1 GLU A 11 -3.165 -10.288 2.512 1.00 3.60 O ATOM 159 OE2 GLU A 11 -3.500 -12.346 1.745 1.00 3.19 O ATOM 0 H GLU A 11 -7.925 -8.625 1.416 1.00 0.79 H new ATOM 0 HA GLU A 11 -6.441 -9.031 3.730 1.00 0.79 H new ATOM 0 HB2 GLU A 11 -7.208 -10.657 1.895 1.00 0.91 H new ATOM 0 HB3 GLU A 11 -5.802 -10.140 0.986 1.00 0.91 H new ATOM 0 HG2 GLU A 11 -5.351 -10.991 3.833 1.00 1.03 H new ATOM 0 HG3 GLU A 11 -5.762 -12.248 2.683 1.00 1.03 H new ATOM 166 N SER A 12 -4.646 -7.603 1.327 1.00 0.82 N ATOM 167 CA SER A 12 -3.339 -7.002 1.101 1.00 0.88 C ATOM 168 C SER A 12 -3.189 -5.787 2.018 1.00 0.83 C ATOM 169 O SER A 12 -2.159 -5.563 2.658 1.00 0.86 O ATOM 170 CB SER A 12 -3.204 -6.634 -0.379 1.00 1.01 C ATOM 171 OG SER A 12 -1.882 -6.228 -0.673 1.00 1.42 O ATOM 0 H SER A 12 -5.259 -7.619 0.512 1.00 0.82 H new ATOM 0 HA SER A 12 -2.538 -7.702 1.340 1.00 0.88 H new ATOM 0 HB2 SER A 12 -3.473 -7.490 -0.998 1.00 1.01 H new ATOM 0 HB3 SER A 12 -3.900 -5.832 -0.625 1.00 1.01 H new ATOM 0 HG SER A 12 -1.670 -6.454 -1.603 1.00 1.42 H new ATOM 177 N ILE A 13 -4.266 -5.012 2.099 1.00 0.80 N ATOM 178 CA ILE A 13 -4.330 -3.815 2.905 1.00 0.79 C ATOM 179 C ILE A 13 -4.162 -4.159 4.381 1.00 0.73 C ATOM 180 O ILE A 13 -3.319 -3.575 5.068 1.00 0.77 O ATOM 181 CB ILE A 13 -5.671 -3.133 2.613 1.00 0.81 C ATOM 182 CG1 ILE A 13 -5.630 -2.630 1.162 1.00 0.93 C ATOM 183 CG2 ILE A 13 -6.027 -1.960 3.539 1.00 0.80 C ATOM 184 CD1 ILE A 13 -7.025 -2.459 0.602 1.00 0.88 C ATOM 0 H ILE A 13 -5.130 -5.209 1.594 1.00 0.80 H new ATOM 0 HA ILE A 13 -3.519 -3.130 2.658 1.00 0.79 H new ATOM 0 HB ILE A 13 -6.446 -3.880 2.788 1.00 0.81 H new ATOM 0 HG12 ILE A 13 -5.099 -1.679 1.119 1.00 0.93 H new ATOM 0 HG13 ILE A 13 -5.072 -3.335 0.546 1.00 0.93 H new ATOM 0 HG21 ILE A 13 -6.993 -1.548 3.249 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -6.078 -2.312 4.569 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -5.263 -1.187 3.457 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -6.963 -2.102 -0.426 1.00 0.88 H new ATOM 0 HD12 ILE A 13 -7.545 -3.417 0.623 1.00 0.88 H new ATOM 0 HD13 ILE A 13 -7.573 -1.735 1.205 1.00 0.88 H new ATOM 196 N GLU A 14 -4.989 -5.086 4.868 1.00 0.68 N ATOM 197 CA GLU A 14 -5.011 -5.485 6.263 1.00 0.70 C ATOM 198 C GLU A 14 -3.620 -5.998 6.657 1.00 0.69 C ATOM 199 O GLU A 14 -3.056 -5.596 7.674 1.00 0.72 O ATOM 200 CB GLU A 14 -6.191 -6.430 6.529 1.00 0.85 C ATOM 201 CG GLU A 14 -5.901 -7.933 6.484 1.00 1.22 C ATOM 202 CD GLU A 14 -5.313 -8.487 7.781 1.00 2.24 C ATOM 203 OE1 GLU A 14 -5.066 -7.690 8.711 1.00 2.64 O ATOM 204 OE2 GLU A 14 -5.275 -9.731 7.900 1.00 3.28 O ATOM 0 H GLU A 14 -5.668 -5.583 4.291 1.00 0.68 H new ATOM 0 HA GLU A 14 -5.202 -4.642 6.927 1.00 0.70 H new ATOM 0 HB2 GLU A 14 -6.600 -6.193 7.511 1.00 0.85 H new ATOM 0 HB3 GLU A 14 -6.970 -6.213 5.798 1.00 0.85 H new ATOM 0 HG2 GLU A 14 -6.825 -8.465 6.259 1.00 1.22 H new ATOM 0 HG3 GLU A 14 -5.209 -8.136 5.667 1.00 1.22 H new ATOM 211 N THR A 15 -3.025 -6.797 5.773 1.00 0.73 N ATOM 212 CA THR A 15 -1.668 -7.289 5.887 1.00 0.81 C ATOM 213 C THR A 15 -0.701 -6.124 6.096 1.00 0.82 C ATOM 214 O THR A 15 0.024 -6.137 7.084 1.00 0.85 O ATOM 215 CB THR A 15 -1.314 -8.210 4.710 1.00 0.94 C ATOM 216 OG1 THR A 15 -2.164 -9.337 4.779 1.00 1.00 O ATOM 217 CG2 THR A 15 0.134 -8.699 4.823 1.00 1.01 C ATOM 0 H THR A 15 -3.497 -7.127 4.931 1.00 0.73 H new ATOM 0 HA THR A 15 -1.575 -7.917 6.773 1.00 0.81 H new ATOM 0 HB THR A 15 -1.433 -7.665 3.773 1.00 0.94 H new ATOM 0 HG1 THR A 15 -2.486 -9.559 3.881 1.00 1.00 H new ATOM 0 HG21 THR A 15 0.365 -9.350 3.980 1.00 1.01 H new ATOM 0 HG22 THR A 15 0.809 -7.843 4.816 1.00 1.01 H new ATOM 0 HG23 THR A 15 0.260 -9.252 5.754 1.00 1.01 H new ATOM 225 N VAL A 16 -0.683 -5.089 5.245 1.00 0.84 N ATOM 226 CA VAL A 16 0.201 -3.955 5.482 1.00 0.88 C ATOM 227 C VAL A 16 -0.017 -3.380 6.889 1.00 0.85 C ATOM 228 O VAL A 16 0.913 -3.310 7.697 1.00 0.91 O ATOM 229 CB VAL A 16 -0.004 -2.877 4.406 1.00 0.91 C ATOM 230 CG1 VAL A 16 0.776 -1.621 4.791 1.00 1.03 C ATOM 231 CG2 VAL A 16 0.493 -3.355 3.040 1.00 1.00 C ATOM 0 H VAL A 16 -1.259 -5.019 4.406 1.00 0.84 H new ATOM 0 HA VAL A 16 1.232 -4.303 5.419 1.00 0.88 H new ATOM 0 HB VAL A 16 -1.071 -2.666 4.341 1.00 0.91 H new ATOM 0 HG11 VAL A 16 0.632 -0.855 4.029 1.00 1.03 H new ATOM 0 HG12 VAL A 16 0.417 -1.250 5.751 1.00 1.03 H new ATOM 0 HG13 VAL A 16 1.837 -1.861 4.868 1.00 1.03 H new ATOM 0 HG21 VAL A 16 0.334 -2.570 2.300 1.00 1.00 H new ATOM 0 HG22 VAL A 16 1.556 -3.587 3.100 1.00 1.00 H new ATOM 0 HG23 VAL A 16 -0.057 -4.249 2.745 1.00 1.00 H new ATOM 241 N VAL A 17 -1.243 -2.939 7.172 1.00 0.82 N ATOM 242 CA VAL A 17 -1.515 -2.192 8.397 1.00 0.89 C ATOM 243 C VAL A 17 -1.233 -3.029 9.648 1.00 0.85 C ATOM 244 O VAL A 17 -0.785 -2.486 10.656 1.00 0.93 O ATOM 245 CB VAL A 17 -2.930 -1.591 8.394 1.00 0.97 C ATOM 246 CG1 VAL A 17 -3.106 -0.661 7.189 1.00 1.12 C ATOM 247 CG2 VAL A 17 -4.012 -2.665 8.345 1.00 0.86 C ATOM 0 H VAL A 17 -2.056 -3.085 6.574 1.00 0.82 H new ATOM 0 HA VAL A 17 -0.822 -1.351 8.427 1.00 0.89 H new ATOM 0 HB VAL A 17 -3.040 -1.035 9.325 1.00 0.97 H new ATOM 0 HG11 VAL A 17 -4.112 -0.241 7.197 1.00 1.12 H new ATOM 0 HG12 VAL A 17 -2.375 0.146 7.243 1.00 1.12 H new ATOM 0 HG13 VAL A 17 -2.956 -1.226 6.269 1.00 1.12 H new ATOM 0 HG21 VAL A 17 -4.994 -2.192 8.345 1.00 0.86 H new ATOM 0 HG22 VAL A 17 -3.895 -3.259 7.438 1.00 0.86 H new ATOM 0 HG23 VAL A 17 -3.921 -3.313 9.217 1.00 0.86 H new ATOM 257 N THR A 18 -1.483 -4.340 9.599 1.00 0.78 N ATOM 258 CA THR A 18 -1.170 -5.223 10.710 1.00 0.87 C ATOM 259 C THR A 18 0.340 -5.480 10.762 1.00 0.87 C ATOM 260 O THR A 18 0.910 -5.500 11.854 1.00 0.90 O ATOM 261 CB THR A 18 -2.044 -6.492 10.681 1.00 1.07 C ATOM 262 OG1 THR A 18 -2.197 -6.994 11.992 1.00 1.27 O ATOM 263 CG2 THR A 18 -1.483 -7.610 9.805 1.00 1.41 C ATOM 0 H THR A 18 -1.903 -4.808 8.796 1.00 0.78 H new ATOM 0 HA THR A 18 -1.425 -4.740 11.653 1.00 0.87 H new ATOM 0 HB THR A 18 -2.998 -6.187 10.250 1.00 1.07 H new ATOM 0 HG1 THR A 18 -2.754 -7.800 11.971 1.00 1.27 H new ATOM 0 HG21 THR A 18 -2.154 -8.468 9.836 1.00 1.41 H new ATOM 0 HG22 THR A 18 -1.393 -7.257 8.778 1.00 1.41 H new ATOM 0 HG23 THR A 18 -0.501 -7.904 10.175 1.00 1.41 H new ATOM 271 N THR A 19 1.017 -5.619 9.611 1.00 0.94 N ATOM 272 CA THR A 19 2.462 -5.839 9.553 1.00 1.09 C ATOM 273 C THR A 19 3.212 -4.695 10.240 1.00 1.10 C ATOM 274 O THR A 19 4.254 -4.930 10.845 1.00 1.21 O ATOM 275 CB THR A 19 2.919 -6.066 8.106 1.00 1.27 C ATOM 276 OG1 THR A 19 2.366 -7.272 7.629 1.00 1.85 O ATOM 277 CG2 THR A 19 4.433 -6.229 8.000 1.00 1.56 C ATOM 0 H THR A 19 0.572 -5.581 8.694 1.00 0.94 H new ATOM 0 HA THR A 19 2.704 -6.748 10.104 1.00 1.09 H new ATOM 0 HB THR A 19 2.597 -5.196 7.534 1.00 1.27 H new ATOM 0 HG1 THR A 19 1.393 -7.180 7.557 1.00 1.85 H new ATOM 0 HG21 THR A 19 4.710 -6.387 6.958 1.00 1.56 H new ATOM 0 HG22 THR A 19 4.923 -5.329 8.373 1.00 1.56 H new ATOM 0 HG23 THR A 19 4.749 -7.087 8.594 1.00 1.56 H new ATOM 285 N PHE A 20 2.673 -3.468 10.208 1.00 1.05 N ATOM 286 CA PHE A 20 3.191 -2.376 11.036 1.00 1.13 C ATOM 287 C PHE A 20 3.417 -2.833 12.483 1.00 1.20 C ATOM 288 O PHE A 20 4.421 -2.479 13.096 1.00 1.42 O ATOM 289 CB PHE A 20 2.221 -1.188 11.068 1.00 1.07 C ATOM 290 CG PHE A 20 1.922 -0.470 9.768 1.00 1.17 C ATOM 291 CD1 PHE A 20 2.714 -0.655 8.619 1.00 2.22 C ATOM 292 CD2 PHE A 20 0.954 0.551 9.785 1.00 1.65 C ATOM 293 CE1 PHE A 20 2.557 0.198 7.515 1.00 2.18 C ATOM 294 CE2 PHE A 20 0.855 1.451 8.715 1.00 1.86 C ATOM 295 CZ PHE A 20 1.647 1.266 7.573 1.00 1.39 C ATOM 0 H PHE A 20 1.881 -3.210 9.619 1.00 1.05 H new ATOM 0 HA PHE A 20 4.137 -2.073 10.586 1.00 1.13 H new ATOM 0 HB2 PHE A 20 1.275 -1.542 11.477 1.00 1.07 H new ATOM 0 HB3 PHE A 20 2.617 -0.454 11.770 1.00 1.07 H new ATOM 0 HD1 PHE A 20 3.442 -1.452 8.587 1.00 2.22 H new ATOM 0 HD2 PHE A 20 0.284 0.642 10.627 1.00 1.65 H new ATOM 0 HE1 PHE A 20 3.137 0.032 6.619 1.00 2.18 H new ATOM 0 HE2 PHE A 20 0.171 2.285 8.770 1.00 1.86 H new ATOM 0 HZ PHE A 20 1.557 1.945 6.738 1.00 1.39 H new ATOM 305 N PHE A 21 2.452 -3.572 13.038 1.00 1.10 N ATOM 306 CA PHE A 21 2.531 -4.118 14.382 1.00 1.23 C ATOM 307 C PHE A 21 3.370 -5.395 14.348 1.00 1.42 C ATOM 308 O PHE A 21 4.429 -5.468 14.972 1.00 1.85 O ATOM 309 CB PHE A 21 1.106 -4.360 14.920 1.00 1.12 C ATOM 310 CG PHE A 21 0.917 -4.249 16.427 1.00 1.41 C ATOM 311 CD1 PHE A 21 1.923 -4.657 17.326 1.00 2.67 C ATOM 312 CD2 PHE A 21 -0.289 -3.724 16.932 1.00 2.16 C ATOM 313 CE1 PHE A 21 1.736 -4.507 18.710 1.00 3.27 C ATOM 314 CE2 PHE A 21 -0.466 -3.555 18.317 1.00 2.70 C ATOM 315 CZ PHE A 21 0.550 -3.941 19.207 1.00 2.86 C ATOM 0 H PHE A 21 1.585 -3.807 12.554 1.00 1.10 H new ATOM 0 HA PHE A 21 3.018 -3.418 15.061 1.00 1.23 H new ATOM 0 HB2 PHE A 21 0.435 -3.648 14.439 1.00 1.12 H new ATOM 0 HB3 PHE A 21 0.789 -5.356 14.610 1.00 1.12 H new ATOM 0 HD1 PHE A 21 2.840 -5.086 16.950 1.00 2.67 H new ATOM 0 HD2 PHE A 21 -1.082 -3.450 16.252 1.00 2.16 H new ATOM 0 HE1 PHE A 21 2.507 -4.828 19.395 1.00 3.27 H new ATOM 0 HE2 PHE A 21 -1.383 -3.129 18.696 1.00 2.70 H new ATOM 0 HZ PHE A 21 0.420 -3.803 20.270 1.00 2.86 H new ATOM 325 N THR A 22 2.924 -6.407 13.597 1.00 1.42 N ATOM 326 CA THR A 22 3.586 -7.704 13.556 1.00 1.84 C ATOM 327 C THR A 22 4.734 -7.655 12.540 1.00 2.26 C ATOM 328 O THR A 22 4.765 -8.388 11.558 1.00 2.74 O ATOM 329 CB THR A 22 2.551 -8.841 13.394 1.00 2.22 C ATOM 330 OG1 THR A 22 3.133 -10.102 13.659 1.00 2.92 O ATOM 331 CG2 THR A 22 1.818 -8.905 12.050 1.00 3.15 C ATOM 0 H THR A 22 2.096 -6.345 13.004 1.00 1.42 H new ATOM 0 HA THR A 22 4.068 -7.944 14.504 1.00 1.84 H new ATOM 0 HB THR A 22 1.790 -8.591 14.133 1.00 2.22 H new ATOM 0 HG1 THR A 22 2.457 -10.803 13.551 1.00 2.92 H new ATOM 0 HG21 THR A 22 1.120 -9.742 12.056 1.00 3.15 H new ATOM 0 HG22 THR A 22 1.270 -7.976 11.890 1.00 3.15 H new ATOM 0 HG23 THR A 22 2.542 -9.042 11.247 1.00 3.15 H new ATOM 478 N ASP A 31 1.781 4.106 14.843 1.00 1.19 N ATOM 479 CA ASP A 31 0.887 3.904 13.712 1.00 1.35 C ATOM 480 C ASP A 31 1.697 3.317 12.573 1.00 1.58 C ATOM 481 O ASP A 31 1.575 2.130 12.283 1.00 2.00 O ATOM 482 CB ASP A 31 0.119 5.177 13.323 1.00 1.63 C ATOM 483 CG ASP A 31 -1.067 4.814 12.439 1.00 2.31 C ATOM 484 OD1 ASP A 31 -2.009 4.219 13.021 1.00 3.23 O ATOM 485 OD2 ASP A 31 -1.003 5.124 11.226 1.00 2.99 O ATOM 0 HA ASP A 31 0.101 3.201 13.988 1.00 1.35 H new ATOM 0 HB2 ASP A 31 -0.228 5.692 14.219 1.00 1.63 H new ATOM 0 HB3 ASP A 31 0.780 5.865 12.796 1.00 1.63 H new ATOM 490 N SER A 32 2.600 4.126 12.025 1.00 1.57 N ATOM 491 CA SER A 32 3.694 3.661 11.196 1.00 1.58 C ATOM 492 C SER A 32 5.002 4.217 11.774 1.00 1.55 C ATOM 493 O SER A 32 5.092 4.441 12.982 1.00 1.53 O ATOM 494 CB SER A 32 3.425 4.044 9.739 1.00 1.78 C ATOM 495 OG SER A 32 4.320 3.362 8.884 1.00 1.97 O ATOM 0 H SER A 32 2.587 5.138 12.150 1.00 1.57 H new ATOM 0 HA SER A 32 3.785 2.575 11.200 1.00 1.58 H new ATOM 0 HB2 SER A 32 2.397 3.797 9.474 1.00 1.78 H new ATOM 0 HB3 SER A 32 3.537 5.121 9.611 1.00 1.78 H new ATOM 0 HG SER A 32 4.023 3.459 7.955 1.00 1.97 H new ATOM 501 N LEU A 33 6.019 4.398 10.931 1.00 1.62 N ATOM 502 CA LEU A 33 7.396 4.638 11.332 1.00 1.63 C ATOM 503 C LEU A 33 7.703 6.126 11.347 1.00 1.47 C ATOM 504 O LEU A 33 6.918 6.945 10.869 1.00 1.48 O ATOM 505 CB LEU A 33 8.345 3.913 10.360 1.00 1.88 C ATOM 506 CG LEU A 33 8.504 2.398 10.579 1.00 1.68 C ATOM 507 CD1 LEU A 33 9.226 2.078 11.893 1.00 1.69 C ATOM 508 CD2 LEU A 33 7.173 1.646 10.527 1.00 1.63 C ATOM 0 H LEU A 33 5.898 4.380 9.918 1.00 1.62 H new ATOM 0 HA LEU A 33 7.541 4.252 12.341 1.00 1.63 H new ATOM 0 HB2 LEU A 33 7.988 4.078 9.343 1.00 1.88 H new ATOM 0 HB3 LEU A 33 9.329 4.376 10.431 1.00 1.88 H new ATOM 0 HG LEU A 33 9.118 2.051 9.748 1.00 1.68 H new ATOM 0 HD11 LEU A 33 9.315 0.997 12.005 1.00 1.69 H new ATOM 0 HD12 LEU A 33 10.220 2.525 11.880 1.00 1.69 H new ATOM 0 HD13 LEU A 33 8.657 2.484 12.729 1.00 1.69 H new ATOM 0 HD21 LEU A 33 7.349 0.583 10.688 1.00 1.63 H new ATOM 0 HD22 LEU A 33 6.510 2.026 11.304 1.00 1.63 H new ATOM 0 HD23 LEU A 33 6.710 1.793 9.551 1.00 1.63 H new ATOM 520 N SER A 34 8.865 6.484 11.890 1.00 1.39 N ATOM 521 CA SER A 34 9.398 7.817 11.677 1.00 1.30 C ATOM 522 C SER A 34 9.935 7.923 10.242 1.00 1.01 C ATOM 523 O SER A 34 10.077 6.911 9.555 1.00 0.98 O ATOM 524 CB SER A 34 10.402 8.196 12.769 1.00 1.54 C ATOM 525 OG SER A 34 9.977 7.621 13.994 1.00 2.39 O ATOM 0 H SER A 34 9.443 5.877 12.471 1.00 1.39 H new ATOM 0 HA SER A 34 8.608 8.562 11.769 1.00 1.30 H new ATOM 0 HB2 SER A 34 11.398 7.838 12.508 1.00 1.54 H new ATOM 0 HB3 SER A 34 10.468 9.280 12.863 1.00 1.54 H new ATOM 0 HG SER A 34 10.245 6.679 14.023 1.00 2.39 H new ATOM 531 N VAL A 35 10.190 9.130 9.740 1.00 0.91 N ATOM 532 CA VAL A 35 10.420 9.310 8.310 1.00 0.76 C ATOM 533 C VAL A 35 11.718 8.641 7.828 1.00 0.76 C ATOM 534 O VAL A 35 11.700 7.872 6.867 1.00 0.71 O ATOM 535 CB VAL A 35 10.335 10.798 7.978 1.00 0.87 C ATOM 536 CG1 VAL A 35 10.796 11.103 6.568 1.00 1.07 C ATOM 537 CG2 VAL A 35 8.901 11.333 8.088 1.00 0.94 C ATOM 0 H VAL A 35 10.242 9.985 10.293 1.00 0.91 H new ATOM 0 HA VAL A 35 9.638 8.794 7.753 1.00 0.76 H new ATOM 0 HB VAL A 35 10.987 11.280 8.707 1.00 0.87 H new ATOM 0 HG11 VAL A 35 10.716 12.174 6.383 1.00 1.07 H new ATOM 0 HG12 VAL A 35 11.834 10.791 6.449 1.00 1.07 H new ATOM 0 HG13 VAL A 35 10.171 10.564 5.856 1.00 1.07 H new ATOM 0 HG21 VAL A 35 8.889 12.395 7.843 1.00 0.94 H new ATOM 0 HG22 VAL A 35 8.257 10.793 7.394 1.00 0.94 H new ATOM 0 HG23 VAL A 35 8.537 11.191 9.106 1.00 0.94 H new ATOM 547 N ASN A 36 12.863 8.919 8.459 1.00 0.91 N ATOM 548 CA ASN A 36 14.105 8.266 8.038 1.00 1.04 C ATOM 549 C ASN A 36 14.016 6.759 8.308 1.00 1.10 C ATOM 550 O ASN A 36 14.373 5.958 7.446 1.00 1.08 O ATOM 551 CB ASN A 36 15.365 8.849 8.701 1.00 1.25 C ATOM 552 CG ASN A 36 16.533 8.841 7.714 1.00 1.99 C ATOM 553 OD1 ASN A 36 17.065 7.786 7.378 1.00 2.70 O ATOM 554 ND2 ASN A 36 16.941 9.999 7.196 1.00 2.33 N ATOM 0 H ASN A 36 12.956 9.570 9.238 1.00 0.91 H new ATOM 0 HA ASN A 36 14.209 8.455 6.969 1.00 1.04 H new ATOM 0 HB2 ASN A 36 15.170 9.868 9.037 1.00 1.25 H new ATOM 0 HB3 ASN A 36 15.623 8.266 9.585 1.00 1.25 H new ATOM 0 HD21 ASN A 36 17.700 10.014 6.515 1.00 2.33 H new ATOM 0 HD22 ASN A 36 16.494 10.871 7.480 1.00 2.33 H new ATOM 561 N GLU A 37 13.505 6.387 9.496 1.00 1.24 N ATOM 562 CA GLU A 37 13.260 4.999 9.876 1.00 1.38 C ATOM 563 C GLU A 37 12.571 4.267 8.733 1.00 1.19 C ATOM 564 O GLU A 37 13.071 3.254 8.265 1.00 1.22 O ATOM 565 CB GLU A 37 12.356 4.893 11.111 1.00 1.70 C ATOM 566 CG GLU A 37 12.974 5.345 12.435 1.00 1.69 C ATOM 567 CD GLU A 37 11.990 5.121 13.582 1.00 2.89 C ATOM 568 OE1 GLU A 37 10.766 5.225 13.321 1.00 4.21 O ATOM 569 OE2 GLU A 37 12.461 4.894 14.713 1.00 3.43 O ATOM 0 H GLU A 37 13.250 7.056 10.222 1.00 1.24 H new ATOM 0 HA GLU A 37 14.229 4.555 10.105 1.00 1.38 H new ATOM 0 HB2 GLU A 37 11.458 5.484 10.931 1.00 1.70 H new ATOM 0 HB3 GLU A 37 12.039 3.856 11.216 1.00 1.70 H new ATOM 0 HG2 GLU A 37 13.894 4.792 12.623 1.00 1.69 H new ATOM 0 HG3 GLU A 37 13.243 6.400 12.378 1.00 1.69 H new ATOM 576 N PHE A 38 11.429 4.793 8.282 1.00 1.07 N ATOM 577 CA PHE A 38 10.687 4.272 7.145 1.00 0.98 C ATOM 578 C PHE A 38 11.630 3.932 5.994 1.00 0.81 C ATOM 579 O PHE A 38 11.639 2.792 5.544 1.00 0.83 O ATOM 580 CB PHE A 38 9.613 5.281 6.733 1.00 0.89 C ATOM 581 CG PHE A 38 9.065 5.115 5.333 1.00 0.94 C ATOM 582 CD1 PHE A 38 8.026 4.202 5.093 1.00 1.72 C ATOM 583 CD2 PHE A 38 9.622 5.842 4.263 1.00 1.89 C ATOM 584 CE1 PHE A 38 7.529 4.032 3.790 1.00 1.75 C ATOM 585 CE2 PHE A 38 9.178 5.612 2.949 1.00 2.11 C ATOM 586 CZ PHE A 38 8.130 4.706 2.714 1.00 1.34 C ATOM 0 H PHE A 38 10.991 5.609 8.710 1.00 1.07 H new ATOM 0 HA PHE A 38 10.190 3.344 7.427 1.00 0.98 H new ATOM 0 HB2 PHE A 38 8.785 5.212 7.439 1.00 0.89 H new ATOM 0 HB3 PHE A 38 10.028 6.285 6.825 1.00 0.89 H new ATOM 0 HD1 PHE A 38 7.609 3.631 5.909 1.00 1.72 H new ATOM 0 HD2 PHE A 38 10.391 6.577 4.452 1.00 1.89 H new ATOM 0 HE1 PHE A 38 6.684 3.382 3.615 1.00 1.75 H new ATOM 0 HE2 PHE A 38 9.641 6.130 2.122 1.00 2.11 H new ATOM 0 HZ PHE A 38 7.786 4.528 1.706 1.00 1.34 H new ATOM 596 N LYS A 39 12.442 4.891 5.542 1.00 0.69 N ATOM 597 CA LYS A 39 13.396 4.660 4.463 1.00 0.67 C ATOM 598 C LYS A 39 14.311 3.464 4.779 1.00 0.82 C ATOM 599 O LYS A 39 14.475 2.572 3.941 1.00 0.82 O ATOM 600 CB LYS A 39 14.093 5.987 4.098 1.00 0.78 C ATOM 601 CG LYS A 39 15.454 5.902 3.389 1.00 1.29 C ATOM 602 CD LYS A 39 16.572 5.607 4.406 1.00 2.37 C ATOM 603 CE LYS A 39 17.821 6.495 4.280 1.00 3.12 C ATOM 604 NZ LYS A 39 18.606 6.545 5.538 1.00 4.28 N ATOM 0 H LYS A 39 12.455 5.841 5.913 1.00 0.69 H new ATOM 0 HA LYS A 39 12.890 4.349 3.549 1.00 0.67 H new ATOM 0 HB2 LYS A 39 13.417 6.558 3.461 1.00 0.78 H new ATOM 0 HB3 LYS A 39 14.227 6.560 5.015 1.00 0.78 H new ATOM 0 HG2 LYS A 39 15.428 5.119 2.631 1.00 1.29 H new ATOM 0 HG3 LYS A 39 15.661 6.839 2.873 1.00 1.29 H new ATOM 0 HD2 LYS A 39 16.166 5.719 5.411 1.00 2.37 H new ATOM 0 HD3 LYS A 39 16.874 4.565 4.298 1.00 2.37 H new ATOM 0 HE2 LYS A 39 18.452 6.118 3.475 1.00 3.12 H new ATOM 0 HE3 LYS A 39 17.519 7.505 4.002 1.00 3.12 H new ATOM 0 HZ1 LYS A 39 19.390 7.221 5.432 1.00 4.28 H new ATOM 0 HZ2 LYS A 39 17.991 6.849 6.319 1.00 4.28 H new ATOM 0 HZ3 LYS A 39 18.989 5.601 5.746 1.00 4.28 H new ATOM 618 N GLU A 40 14.885 3.419 5.985 1.00 1.04 N ATOM 619 CA GLU A 40 15.793 2.342 6.377 1.00 1.25 C ATOM 620 C GLU A 40 15.078 0.989 6.510 1.00 1.23 C ATOM 621 O GLU A 40 15.645 -0.048 6.177 1.00 1.36 O ATOM 622 CB GLU A 40 16.610 2.736 7.616 1.00 1.53 C ATOM 623 CG GLU A 40 17.341 4.049 7.299 1.00 1.58 C ATOM 624 CD GLU A 40 18.687 4.229 7.970 1.00 1.96 C ATOM 625 OE1 GLU A 40 18.875 3.706 9.085 1.00 2.94 O ATOM 626 OE2 GLU A 40 19.501 4.912 7.303 1.00 2.00 O ATOM 0 H GLU A 40 14.734 4.121 6.709 1.00 1.04 H new ATOM 0 HA GLU A 40 16.510 2.197 5.569 1.00 1.25 H new ATOM 0 HB2 GLU A 40 15.957 2.861 8.480 1.00 1.53 H new ATOM 0 HB3 GLU A 40 17.325 1.952 7.867 1.00 1.53 H new ATOM 0 HG2 GLU A 40 17.482 4.114 6.220 1.00 1.58 H new ATOM 0 HG3 GLU A 40 16.698 4.880 7.587 1.00 1.58 H new ATOM 633 N LEU A 41 13.819 0.985 6.941 1.00 1.17 N ATOM 634 CA LEU A 41 13.010 -0.220 6.969 1.00 1.21 C ATOM 635 C LEU A 41 12.717 -0.668 5.536 1.00 0.97 C ATOM 636 O LEU A 41 13.020 -1.801 5.170 1.00 1.02 O ATOM 637 CB LEU A 41 11.717 0.005 7.774 1.00 1.37 C ATOM 638 CG LEU A 41 11.813 -0.356 9.269 1.00 1.63 C ATOM 639 CD1 LEU A 41 11.899 -1.872 9.486 1.00 2.80 C ATOM 640 CD2 LEU A 41 12.970 0.338 9.997 1.00 1.79 C ATOM 0 H LEU A 41 13.336 1.818 7.279 1.00 1.17 H new ATOM 0 HA LEU A 41 13.561 -1.014 7.473 1.00 1.21 H new ATOM 0 HB2 LEU A 41 11.429 1.053 7.686 1.00 1.37 H new ATOM 0 HB3 LEU A 41 10.918 -0.584 7.323 1.00 1.37 H new ATOM 0 HG LEU A 41 10.887 0.017 9.707 1.00 1.63 H new ATOM 0 HD11 LEU A 41 11.965 -2.084 10.553 1.00 2.80 H new ATOM 0 HD12 LEU A 41 11.009 -2.349 9.076 1.00 2.80 H new ATOM 0 HD13 LEU A 41 12.784 -2.262 8.983 1.00 2.80 H new ATOM 0 HD21 LEU A 41 12.974 0.036 11.044 1.00 1.79 H new ATOM 0 HD22 LEU A 41 13.915 0.053 9.533 1.00 1.79 H new ATOM 0 HD23 LEU A 41 12.845 1.419 9.932 1.00 1.79 H new ATOM 652 N VAL A 42 12.103 0.175 4.705 1.00 0.81 N ATOM 653 CA VAL A 42 11.665 -0.283 3.393 1.00 0.73 C ATOM 654 C VAL A 42 12.852 -0.807 2.580 1.00 0.71 C ATOM 655 O VAL A 42 12.732 -1.871 1.982 1.00 0.79 O ATOM 656 CB VAL A 42 10.779 0.730 2.647 1.00 0.65 C ATOM 657 CG1 VAL A 42 9.528 1.076 3.465 1.00 1.53 C ATOM 658 CG2 VAL A 42 11.526 1.996 2.221 1.00 1.23 C ATOM 0 H VAL A 42 11.903 1.154 4.912 1.00 0.81 H new ATOM 0 HA VAL A 42 10.995 -1.128 3.548 1.00 0.73 H new ATOM 0 HB VAL A 42 10.469 0.238 1.725 1.00 0.65 H new ATOM 0 HG11 VAL A 42 8.920 1.794 2.914 1.00 1.53 H new ATOM 0 HG12 VAL A 42 8.948 0.171 3.643 1.00 1.53 H new ATOM 0 HG13 VAL A 42 9.826 1.510 4.419 1.00 1.53 H new ATOM 0 HG21 VAL A 42 10.841 2.665 1.701 1.00 1.23 H new ATOM 0 HG22 VAL A 42 11.924 2.498 3.103 1.00 1.23 H new ATOM 0 HG23 VAL A 42 12.346 1.728 1.555 1.00 1.23 H new ATOM 668 N THR A 43 14.013 -0.139 2.602 1.00 0.71 N ATOM 669 CA THR A 43 15.172 -0.665 1.877 1.00 0.81 C ATOM 670 C THR A 43 15.550 -2.077 2.357 1.00 0.99 C ATOM 671 O THR A 43 15.845 -2.938 1.533 1.00 1.13 O ATOM 672 CB THR A 43 16.342 0.334 1.872 1.00 0.92 C ATOM 673 OG1 THR A 43 17.330 -0.045 0.938 1.00 1.51 O ATOM 674 CG2 THR A 43 17.021 0.469 3.232 1.00 1.40 C ATOM 0 H THR A 43 14.171 0.738 3.097 1.00 0.71 H new ATOM 0 HA THR A 43 14.892 -0.783 0.830 1.00 0.81 H new ATOM 0 HB THR A 43 15.898 1.292 1.603 1.00 0.92 H new ATOM 0 HG1 THR A 43 18.062 0.607 0.953 1.00 1.51 H new ATOM 0 HG21 THR A 43 17.837 1.188 3.161 1.00 1.40 H new ATOM 0 HG22 THR A 43 16.295 0.815 3.968 1.00 1.40 H new ATOM 0 HG23 THR A 43 17.416 -0.499 3.539 1.00 1.40 H new ATOM 682 N GLN A 44 15.487 -2.355 3.667 1.00 1.07 N ATOM 683 CA GLN A 44 15.732 -3.706 4.174 1.00 1.29 C ATOM 684 C GLN A 44 14.702 -4.679 3.598 1.00 1.25 C ATOM 685 O GLN A 44 15.053 -5.760 3.134 1.00 1.35 O ATOM 686 CB GLN A 44 15.681 -3.731 5.706 1.00 1.62 C ATOM 687 CG GLN A 44 16.858 -2.990 6.349 1.00 1.57 C ATOM 688 CD GLN A 44 16.607 -2.703 7.830 1.00 2.37 C ATOM 689 OE1 GLN A 44 15.605 -3.123 8.402 1.00 3.42 O ATOM 690 NE2 GLN A 44 17.525 -1.989 8.474 1.00 2.91 N ATOM 0 H GLN A 44 15.270 -1.666 4.387 1.00 1.07 H new ATOM 0 HA GLN A 44 16.729 -4.015 3.859 1.00 1.29 H new ATOM 0 HB2 GLN A 44 14.747 -3.281 6.042 1.00 1.62 H new ATOM 0 HB3 GLN A 44 15.678 -4.766 6.049 1.00 1.62 H new ATOM 0 HG2 GLN A 44 17.764 -3.586 6.243 1.00 1.57 H new ATOM 0 HG3 GLN A 44 17.029 -2.052 5.821 1.00 1.57 H new ATOM 0 HE21 GLN A 44 18.349 -1.651 7.977 1.00 2.91 H new ATOM 0 HE22 GLN A 44 17.405 -1.779 9.465 1.00 2.91 H new ATOM 699 N GLN A 45 13.424 -4.292 3.635 1.00 1.21 N ATOM 700 CA GLN A 45 12.342 -5.102 3.088 1.00 1.34 C ATOM 701 C GLN A 45 12.479 -5.281 1.566 1.00 1.23 C ATOM 702 O GLN A 45 11.989 -6.277 1.042 1.00 1.49 O ATOM 703 CB GLN A 45 10.990 -4.475 3.458 1.00 1.40 C ATOM 704 CG GLN A 45 10.504 -4.715 4.899 1.00 1.60 C ATOM 705 CD GLN A 45 11.569 -4.978 5.965 1.00 1.80 C ATOM 706 OE1 GLN A 45 11.808 -6.117 6.344 1.00 3.13 O ATOM 707 NE2 GLN A 45 12.180 -3.944 6.523 1.00 1.80 N ATOM 0 H GLN A 45 13.115 -3.410 4.045 1.00 1.21 H new ATOM 0 HA GLN A 45 12.400 -6.098 3.527 1.00 1.34 H new ATOM 0 HB2 GLN A 45 11.054 -3.400 3.292 1.00 1.40 H new ATOM 0 HB3 GLN A 45 10.235 -4.859 2.773 1.00 1.40 H new ATOM 0 HG2 GLN A 45 9.925 -3.845 5.209 1.00 1.60 H new ATOM 0 HG3 GLN A 45 9.822 -5.565 4.887 1.00 1.60 H new ATOM 0 HE21 GLN A 45 11.976 -2.997 6.202 1.00 1.80 H new ATOM 0 HE22 GLN A 45 12.854 -4.094 7.273 1.00 1.80 H new ATOM 716 N LEU A 46 13.122 -4.337 0.867 1.00 0.96 N ATOM 717 CA LEU A 46 13.288 -4.294 -0.587 1.00 1.04 C ATOM 718 C LEU A 46 14.748 -4.558 -1.017 1.00 1.01 C ATOM 719 O LEU A 46 15.408 -3.640 -1.501 1.00 1.16 O ATOM 720 CB LEU A 46 12.849 -2.896 -1.069 1.00 1.11 C ATOM 721 CG LEU A 46 11.332 -2.666 -1.049 1.00 1.28 C ATOM 722 CD1 LEU A 46 11.026 -1.182 -0.865 1.00 2.08 C ATOM 723 CD2 LEU A 46 10.710 -3.076 -2.389 1.00 1.61 C ATOM 0 H LEU A 46 13.563 -3.541 1.328 1.00 0.96 H new ATOM 0 HA LEU A 46 12.679 -5.080 -1.035 1.00 1.04 H new ATOM 0 HB2 LEU A 46 13.327 -2.143 -0.443 1.00 1.11 H new ATOM 0 HB3 LEU A 46 13.214 -2.744 -2.085 1.00 1.11 H new ATOM 0 HG LEU A 46 10.924 -3.259 -0.230 1.00 1.28 H new ATOM 0 HD11 LEU A 46 9.946 -1.032 -0.852 1.00 2.08 H new ATOM 0 HD12 LEU A 46 11.451 -0.837 0.077 1.00 2.08 H new ATOM 0 HD13 LEU A 46 11.461 -0.616 -1.688 1.00 2.08 H new ATOM 0 HD21 LEU A 46 9.634 -2.906 -2.358 1.00 1.61 H new ATOM 0 HD22 LEU A 46 11.148 -2.481 -3.191 1.00 1.61 H new ATOM 0 HD23 LEU A 46 10.906 -4.132 -2.573 1.00 1.61 H new ATOM 735 N PRO A 47 15.267 -5.796 -0.930 1.00 1.03 N ATOM 736 CA PRO A 47 16.639 -6.118 -1.319 1.00 1.01 C ATOM 737 C PRO A 47 16.772 -6.506 -2.801 1.00 1.01 C ATOM 738 O PRO A 47 17.815 -7.026 -3.193 1.00 1.16 O ATOM 739 CB PRO A 47 16.990 -7.326 -0.452 1.00 1.16 C ATOM 740 CG PRO A 47 15.669 -8.088 -0.473 1.00 1.32 C ATOM 741 CD PRO A 47 14.647 -6.961 -0.323 1.00 1.22 C ATOM 0 HA PRO A 47 17.291 -5.255 -1.182 1.00 1.01 H new ATOM 0 HB2 PRO A 47 17.810 -7.910 -0.870 1.00 1.16 H new ATOM 0 HB3 PRO A 47 17.285 -7.038 0.557 1.00 1.16 H new ATOM 0 HG2 PRO A 47 15.532 -8.641 -1.402 1.00 1.32 H new ATOM 0 HG3 PRO A 47 15.602 -8.810 0.341 1.00 1.32 H new ATOM 0 HD2 PRO A 47 13.710 -7.211 -0.820 1.00 1.22 H new ATOM 0 HD3 PRO A 47 14.413 -6.780 0.726 1.00 1.22 H new ATOM 749 N HIS A 48 15.727 -6.316 -3.617 1.00 1.09 N ATOM 750 CA HIS A 48 15.740 -6.699 -5.025 1.00 1.20 C ATOM 751 C HIS A 48 16.626 -5.709 -5.818 1.00 1.29 C ATOM 752 O HIS A 48 17.473 -5.031 -5.242 1.00 2.34 O ATOM 753 CB HIS A 48 14.282 -6.801 -5.514 1.00 1.38 C ATOM 754 CG HIS A 48 14.082 -7.661 -6.740 1.00 2.29 C ATOM 755 ND1 HIS A 48 14.219 -9.034 -6.821 1.00 3.32 N ATOM 756 CD2 HIS A 48 13.700 -7.216 -7.979 1.00 2.97 C ATOM 757 CE1 HIS A 48 13.964 -9.385 -8.093 1.00 4.26 C ATOM 758 NE2 HIS A 48 13.648 -8.313 -8.840 1.00 4.04 N ATOM 0 H HIS A 48 14.850 -5.892 -3.314 1.00 1.09 H new ATOM 0 HA HIS A 48 16.188 -7.680 -5.183 1.00 1.20 H new ATOM 0 HB2 HIS A 48 13.670 -7.199 -4.705 1.00 1.38 H new ATOM 0 HB3 HIS A 48 13.915 -5.797 -5.728 1.00 1.38 H new ATOM 0 HD1 HIS A 48 14.467 -9.663 -6.058 1.00 3.32 H new ATOM 0 HD2 HIS A 48 13.478 -6.193 -8.243 1.00 2.97 H new ATOM 0 HE1 HIS A 48 14.007 -10.397 -8.467 1.00 4.26 H new ATOM 766 N LEU A 49 16.444 -5.585 -7.138 1.00 1.68 N ATOM 767 CA LEU A 49 17.313 -4.753 -7.970 1.00 1.73 C ATOM 768 C LEU A 49 17.393 -3.297 -7.486 1.00 1.74 C ATOM 769 O LEU A 49 18.493 -2.801 -7.264 1.00 1.73 O ATOM 770 CB LEU A 49 16.891 -4.855 -9.443 1.00 1.80 C ATOM 771 CG LEU A 49 17.801 -4.063 -10.400 1.00 2.16 C ATOM 772 CD1 LEU A 49 19.264 -4.523 -10.329 1.00 2.20 C ATOM 773 CD2 LEU A 49 17.293 -4.239 -11.835 1.00 3.80 C ATOM 0 H LEU A 49 15.698 -6.054 -7.652 1.00 1.68 H new ATOM 0 HA LEU A 49 18.327 -5.141 -7.876 1.00 1.73 H new ATOM 0 HB2 LEU A 49 16.890 -5.904 -9.740 1.00 1.80 H new ATOM 0 HB3 LEU A 49 15.868 -4.494 -9.545 1.00 1.80 H new ATOM 0 HG LEU A 49 17.767 -3.016 -10.097 1.00 2.16 H new ATOM 0 HD11 LEU A 49 19.865 -3.934 -11.022 1.00 2.20 H new ATOM 0 HD12 LEU A 49 19.640 -4.385 -9.315 1.00 2.20 H new ATOM 0 HD13 LEU A 49 19.327 -5.577 -10.599 1.00 2.20 H new ATOM 0 HD21 LEU A 49 17.933 -3.681 -12.518 1.00 3.80 H new ATOM 0 HD22 LEU A 49 17.313 -5.296 -12.101 1.00 3.80 H new ATOM 0 HD23 LEU A 49 16.271 -3.866 -11.908 1.00 3.80 H new ATOM 785 N LEU A 50 16.249 -2.609 -7.356 1.00 1.86 N ATOM 786 CA LEU A 50 16.174 -1.247 -6.818 1.00 1.84 C ATOM 787 C LEU A 50 16.958 -0.300 -7.726 1.00 1.73 C ATOM 788 O LEU A 50 18.026 0.216 -7.410 1.00 1.77 O ATOM 789 CB LEU A 50 16.559 -1.183 -5.326 1.00 1.94 C ATOM 790 CG LEU A 50 15.405 -1.547 -4.367 1.00 2.34 C ATOM 791 CD1 LEU A 50 14.397 -0.403 -4.211 1.00 3.40 C ATOM 792 CD2 LEU A 50 14.663 -2.822 -4.780 1.00 3.21 C ATOM 0 H LEU A 50 15.341 -2.989 -7.625 1.00 1.86 H new ATOM 0 HA LEU A 50 15.139 -0.906 -6.826 1.00 1.84 H new ATOM 0 HB2 LEU A 50 17.395 -1.860 -5.147 1.00 1.94 H new ATOM 0 HB3 LEU A 50 16.908 -0.177 -5.094 1.00 1.94 H new ATOM 0 HG LEU A 50 15.886 -1.730 -3.406 1.00 2.34 H new ATOM 0 HD11 LEU A 50 13.604 -0.707 -3.527 1.00 3.40 H new ATOM 0 HD12 LEU A 50 14.903 0.476 -3.812 1.00 3.40 H new ATOM 0 HD13 LEU A 50 13.965 -0.163 -5.183 1.00 3.40 H new ATOM 0 HD21 LEU A 50 13.864 -3.025 -4.067 1.00 3.21 H new ATOM 0 HD22 LEU A 50 14.237 -2.689 -5.775 1.00 3.21 H new ATOM 0 HD23 LEU A 50 15.359 -3.660 -4.793 1.00 3.21 H new ATOM 804 N LYS A 51 16.385 -0.122 -8.918 1.00 1.70 N ATOM 805 CA LYS A 51 16.907 0.723 -9.982 1.00 1.69 C ATOM 806 C LYS A 51 16.763 2.213 -9.655 1.00 1.46 C ATOM 807 O LYS A 51 17.502 3.030 -10.198 1.00 1.54 O ATOM 808 CB LYS A 51 16.154 0.372 -11.271 1.00 1.86 C ATOM 809 CG LYS A 51 14.656 0.713 -11.164 1.00 1.75 C ATOM 810 CD LYS A 51 14.320 2.117 -11.704 1.00 1.86 C ATOM 811 CE LYS A 51 13.937 2.132 -13.187 1.00 2.25 C ATOM 812 NZ LYS A 51 15.094 1.848 -14.057 1.00 2.50 N ATOM 0 H LYS A 51 15.511 -0.582 -9.174 1.00 1.70 H new ATOM 0 HA LYS A 51 17.975 0.539 -10.100 1.00 1.69 H new ATOM 0 HB2 LYS A 51 16.592 0.915 -12.108 1.00 1.86 H new ATOM 0 HB3 LYS A 51 16.271 -0.691 -11.484 1.00 1.86 H new ATOM 0 HG2 LYS A 51 14.079 -0.030 -11.715 1.00 1.75 H new ATOM 0 HG3 LYS A 51 14.347 0.647 -10.121 1.00 1.75 H new ATOM 0 HD2 LYS A 51 13.498 2.533 -11.122 1.00 1.86 H new ATOM 0 HD3 LYS A 51 15.180 2.770 -11.554 1.00 1.86 H new ATOM 0 HE2 LYS A 51 13.157 1.393 -13.368 1.00 2.25 H new ATOM 0 HE3 LYS A 51 13.520 3.105 -13.444 1.00 2.25 H new ATOM 0 HZ1 LYS A 51 14.827 2.000 -15.051 1.00 2.50 H new ATOM 0 HZ2 LYS A 51 15.879 2.483 -13.809 1.00 2.50 H new ATOM 0 HZ3 LYS A 51 15.393 0.860 -13.926 1.00 2.50 H new ATOM 826 N ASP A 52 15.746 2.542 -8.854 1.00 1.23 N ATOM 827 CA ASP A 52 15.550 3.790 -8.142 1.00 1.10 C ATOM 828 C ASP A 52 15.672 5.049 -9.001 1.00 1.09 C ATOM 829 O ASP A 52 16.727 5.668 -9.123 1.00 1.39 O ATOM 830 CB ASP A 52 16.403 3.772 -6.880 1.00 1.48 C ATOM 831 CG ASP A 52 15.919 2.709 -5.891 1.00 1.62 C ATOM 832 OD1 ASP A 52 15.275 1.737 -6.361 1.00 2.52 O ATOM 833 OD2 ASP A 52 16.186 2.892 -4.687 1.00 2.31 O ATOM 0 H ASP A 52 14.984 1.887 -8.679 1.00 1.23 H new ATOM 0 HA ASP A 52 14.505 3.856 -7.839 1.00 1.10 H new ATOM 0 HB2 ASP A 52 17.442 3.578 -7.145 1.00 1.48 H new ATOM 0 HB3 ASP A 52 16.373 4.753 -6.405 1.00 1.48 H new ATOM 838 N VAL A 53 14.533 5.427 -9.581 1.00 0.96 N ATOM 839 CA VAL A 53 14.360 6.584 -10.448 1.00 1.14 C ATOM 840 C VAL A 53 14.120 7.840 -9.614 1.00 1.12 C ATOM 841 O VAL A 53 14.065 7.762 -8.395 1.00 2.35 O ATOM 842 CB VAL A 53 13.210 6.281 -11.427 1.00 2.47 C ATOM 843 CG1 VAL A 53 11.813 6.645 -10.907 1.00 3.78 C ATOM 844 CG2 VAL A 53 13.432 6.882 -12.822 1.00 2.84 C ATOM 0 H VAL A 53 13.666 4.907 -9.450 1.00 0.96 H new ATOM 0 HA VAL A 53 15.262 6.778 -11.029 1.00 1.14 H new ATOM 0 HB VAL A 53 13.235 5.195 -11.513 1.00 2.47 H new ATOM 0 HG11 VAL A 53 11.067 6.397 -11.662 1.00 3.78 H new ATOM 0 HG12 VAL A 53 11.607 6.084 -9.995 1.00 3.78 H new ATOM 0 HG13 VAL A 53 11.771 7.713 -10.693 1.00 3.78 H new ATOM 0 HG21 VAL A 53 12.587 6.633 -13.464 1.00 2.84 H new ATOM 0 HG22 VAL A 53 13.520 7.965 -12.742 1.00 2.84 H new ATOM 0 HG23 VAL A 53 14.347 6.475 -13.252 1.00 2.84 H new ATOM 854 N GLY A 54 13.961 8.994 -10.270 1.00 1.02 N ATOM 855 CA GLY A 54 13.594 10.276 -9.675 1.00 1.64 C ATOM 856 C GLY A 54 12.717 10.220 -8.414 1.00 1.39 C ATOM 857 O GLY A 54 12.932 11.010 -7.505 1.00 1.52 O ATOM 0 H GLY A 54 14.092 9.059 -11.279 1.00 1.02 H new ATOM 0 HA2 GLY A 54 14.510 10.813 -9.430 1.00 1.64 H new ATOM 0 HA3 GLY A 54 13.071 10.865 -10.429 1.00 1.64 H new ATOM 861 N SER A 55 11.741 9.313 -8.316 1.00 1.20 N ATOM 862 CA SER A 55 10.868 9.278 -7.144 1.00 1.08 C ATOM 863 C SER A 55 11.558 8.709 -5.897 1.00 0.82 C ATOM 864 O SER A 55 11.137 8.973 -4.771 1.00 0.86 O ATOM 865 CB SER A 55 9.525 8.630 -7.474 1.00 1.27 C ATOM 866 OG SER A 55 8.984 9.281 -8.609 1.00 1.78 O ATOM 0 H SER A 55 11.539 8.605 -9.022 1.00 1.20 H new ATOM 0 HA SER A 55 10.644 10.309 -6.870 1.00 1.08 H new ATOM 0 HB2 SER A 55 9.655 7.566 -7.673 1.00 1.27 H new ATOM 0 HB3 SER A 55 8.844 8.715 -6.627 1.00 1.27 H new ATOM 0 HG SER A 55 8.767 10.209 -8.381 1.00 1.78 H new ATOM 872 N LEU A 56 12.662 7.975 -6.059 1.00 0.76 N ATOM 873 CA LEU A 56 13.613 7.788 -4.973 1.00 0.85 C ATOM 874 C LEU A 56 14.032 9.172 -4.504 1.00 0.94 C ATOM 875 O LEU A 56 13.874 9.492 -3.330 1.00 0.91 O ATOM 876 CB LEU A 56 14.827 6.968 -5.436 1.00 1.05 C ATOM 877 CG LEU A 56 15.934 6.744 -4.384 1.00 1.85 C ATOM 878 CD1 LEU A 56 16.818 7.966 -4.094 1.00 1.82 C ATOM 879 CD2 LEU A 56 15.391 6.139 -3.086 1.00 3.22 C ATOM 0 H LEU A 56 12.914 7.505 -6.929 1.00 0.76 H new ATOM 0 HA LEU A 56 13.157 7.229 -4.156 1.00 0.85 H new ATOM 0 HB2 LEU A 56 14.474 5.994 -5.776 1.00 1.05 H new ATOM 0 HB3 LEU A 56 15.269 7.466 -6.299 1.00 1.05 H new ATOM 0 HG LEU A 56 16.595 6.017 -4.856 1.00 1.85 H new ATOM 0 HD11 LEU A 56 17.563 7.706 -3.343 1.00 1.82 H new ATOM 0 HD12 LEU A 56 17.320 8.278 -5.010 1.00 1.82 H new ATOM 0 HD13 LEU A 56 16.199 8.783 -3.723 1.00 1.82 H new ATOM 0 HD21 LEU A 56 16.209 6.001 -2.379 1.00 3.22 H new ATOM 0 HD22 LEU A 56 14.648 6.810 -2.655 1.00 3.22 H new ATOM 0 HD23 LEU A 56 14.929 5.175 -3.299 1.00 3.22 H new ATOM 891 N ASP A 57 14.548 9.987 -5.428 1.00 1.16 N ATOM 892 CA ASP A 57 15.061 11.316 -5.097 1.00 1.44 C ATOM 893 C ASP A 57 13.989 12.195 -4.423 1.00 1.33 C ATOM 894 O ASP A 57 14.208 12.667 -3.307 1.00 1.37 O ATOM 895 CB ASP A 57 15.727 11.965 -6.320 1.00 1.87 C ATOM 896 CG ASP A 57 15.869 13.462 -6.141 1.00 2.28 C ATOM 897 OD1 ASP A 57 16.762 13.906 -5.386 1.00 3.29 O ATOM 898 OD2 ASP A 57 15.056 14.207 -6.730 1.00 2.42 O ATOM 0 H ASP A 57 14.621 9.746 -6.416 1.00 1.16 H new ATOM 0 HA ASP A 57 15.845 11.209 -4.348 1.00 1.44 H new ATOM 0 HB2 ASP A 57 16.710 11.521 -6.480 1.00 1.87 H new ATOM 0 HB3 ASP A 57 15.135 11.758 -7.212 1.00 1.87 H new ATOM 903 N GLU A 58 12.824 12.386 -5.058 1.00 1.33 N ATOM 904 CA GLU A 58 11.656 13.062 -4.481 1.00 1.39 C ATOM 905 C GLU A 58 11.474 12.678 -3.006 1.00 1.21 C ATOM 906 O GLU A 58 11.383 13.537 -2.125 1.00 1.36 O ATOM 907 CB GLU A 58 10.380 12.732 -5.276 1.00 1.47 C ATOM 908 CG GLU A 58 10.426 13.233 -6.731 1.00 2.18 C ATOM 909 CD GLU A 58 9.170 12.847 -7.508 1.00 2.58 C ATOM 910 OE1 GLU A 58 8.143 13.527 -7.299 1.00 2.82 O ATOM 911 OE2 GLU A 58 9.254 11.883 -8.302 1.00 3.90 O ATOM 0 H GLU A 58 12.665 12.065 -6.013 1.00 1.33 H new ATOM 0 HA GLU A 58 11.832 14.136 -4.541 1.00 1.39 H new ATOM 0 HB2 GLU A 58 10.228 11.653 -5.275 1.00 1.47 H new ATOM 0 HB3 GLU A 58 9.521 13.176 -4.773 1.00 1.47 H new ATOM 0 HG2 GLU A 58 10.538 14.317 -6.738 1.00 2.18 H new ATOM 0 HG3 GLU A 58 11.302 12.819 -7.230 1.00 2.18 H new ATOM 918 N LYS A 59 11.452 11.377 -2.729 1.00 0.93 N ATOM 919 CA LYS A 59 11.284 10.862 -1.380 1.00 0.81 C ATOM 920 C LYS A 59 12.487 11.243 -0.519 1.00 0.79 C ATOM 921 O LYS A 59 12.319 11.795 0.562 1.00 0.82 O ATOM 922 CB LYS A 59 11.054 9.347 -1.455 1.00 0.75 C ATOM 923 CG LYS A 59 9.865 8.841 -0.638 1.00 0.74 C ATOM 924 CD LYS A 59 9.111 7.720 -1.374 1.00 0.96 C ATOM 925 CE LYS A 59 9.948 6.556 -1.913 1.00 1.05 C ATOM 926 NZ LYS A 59 10.443 6.744 -3.308 1.00 1.39 N ATOM 0 H LYS A 59 11.551 10.651 -3.438 1.00 0.93 H new ATOM 0 HA LYS A 59 10.412 11.307 -0.901 1.00 0.81 H new ATOM 0 HB2 LYS A 59 10.907 9.067 -2.498 1.00 0.75 H new ATOM 0 HB3 LYS A 59 11.955 8.839 -1.113 1.00 0.75 H new ATOM 0 HG2 LYS A 59 10.215 8.473 0.326 1.00 0.74 H new ATOM 0 HG3 LYS A 59 9.183 9.667 -0.435 1.00 0.74 H new ATOM 0 HD2 LYS A 59 8.362 7.313 -0.695 1.00 0.96 H new ATOM 0 HD3 LYS A 59 8.573 8.166 -2.210 1.00 0.96 H new ATOM 0 HE2 LYS A 59 10.803 6.405 -1.255 1.00 1.05 H new ATOM 0 HE3 LYS A 59 9.350 5.646 -1.873 1.00 1.05 H new ATOM 0 HZ1 LYS A 59 11.228 6.087 -3.489 1.00 1.39 H new ATOM 0 HZ2 LYS A 59 9.671 6.554 -3.979 1.00 1.39 H new ATOM 0 HZ3 LYS A 59 10.775 7.722 -3.430 1.00 1.39 H new ATOM 940 N MET A 60 13.701 10.977 -1.000 1.00 0.84 N ATOM 941 CA MET A 60 14.938 11.280 -0.300 1.00 0.95 C ATOM 942 C MET A 60 14.930 12.714 0.223 1.00 1.06 C ATOM 943 O MET A 60 15.149 12.907 1.415 1.00 1.10 O ATOM 944 CB MET A 60 16.147 10.992 -1.199 1.00 1.11 C ATOM 945 CG MET A 60 17.479 11.209 -0.475 1.00 1.32 C ATOM 946 SD MET A 60 18.931 10.787 -1.471 1.00 1.88 S ATOM 947 CE MET A 60 20.243 11.237 -0.315 1.00 2.93 C ATOM 0 H MET A 60 13.850 10.535 -1.907 1.00 0.84 H new ATOM 0 HA MET A 60 15.020 10.628 0.570 1.00 0.95 H new ATOM 0 HB2 MET A 60 16.094 9.963 -1.556 1.00 1.11 H new ATOM 0 HB3 MET A 60 16.105 11.636 -2.077 1.00 1.11 H new ATOM 0 HG2 MET A 60 17.550 12.253 -0.171 1.00 1.32 H new ATOM 0 HG3 MET A 60 17.488 10.610 0.436 1.00 1.32 H new ATOM 0 HE1 MET A 60 21.213 11.040 -0.771 1.00 2.93 H new ATOM 0 HE2 MET A 60 20.165 12.297 -0.071 1.00 2.93 H new ATOM 0 HE3 MET A 60 20.144 10.647 0.596 1.00 2.93 H new ATOM 957 N LYS A 61 14.651 13.714 -0.625 1.00 1.19 N ATOM 958 CA LYS A 61 14.631 15.087 -0.106 1.00 1.41 C ATOM 959 C LYS A 61 13.470 15.294 0.875 1.00 1.23 C ATOM 960 O LYS A 61 13.634 15.939 1.913 1.00 1.25 O ATOM 961 CB LYS A 61 14.713 16.184 -1.182 1.00 1.85 C ATOM 962 CG LYS A 61 13.714 16.045 -2.334 1.00 1.80 C ATOM 963 CD LYS A 61 14.431 15.590 -3.608 1.00 2.69 C ATOM 964 CE LYS A 61 15.035 16.769 -4.372 1.00 3.16 C ATOM 965 NZ LYS A 61 15.848 16.308 -5.511 1.00 4.04 N ATOM 0 H LYS A 61 14.447 13.610 -1.619 1.00 1.19 H new ATOM 0 HA LYS A 61 15.561 15.205 0.451 1.00 1.41 H new ATOM 0 HB2 LYS A 61 14.559 17.151 -0.704 1.00 1.85 H new ATOM 0 HB3 LYS A 61 15.721 16.190 -1.596 1.00 1.85 H new ATOM 0 HG2 LYS A 61 12.940 15.326 -2.068 1.00 1.80 H new ATOM 0 HG3 LYS A 61 13.216 16.999 -2.510 1.00 1.80 H new ATOM 0 HD2 LYS A 61 15.219 14.883 -3.349 1.00 2.69 H new ATOM 0 HD3 LYS A 61 13.728 15.062 -4.252 1.00 2.69 H new ATOM 0 HE2 LYS A 61 14.237 17.419 -4.731 1.00 3.16 H new ATOM 0 HE3 LYS A 61 15.652 17.364 -3.699 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 16.313 17.124 -5.959 1.00 4.04 H new ATOM 0 HZ2 LYS A 61 16.570 15.640 -5.174 1.00 4.04 H new ATOM 0 HZ3 LYS A 61 15.236 15.834 -6.206 1.00 4.04 H new ATOM 979 N SER A 62 12.302 14.718 0.570 1.00 1.14 N ATOM 980 CA SER A 62 11.165 14.765 1.488 1.00 1.11 C ATOM 981 C SER A 62 11.501 14.174 2.865 1.00 0.98 C ATOM 982 O SER A 62 10.948 14.617 3.869 1.00 1.05 O ATOM 983 CB SER A 62 9.937 14.082 0.882 1.00 1.16 C ATOM 984 OG SER A 62 9.606 14.680 -0.356 1.00 2.07 O ATOM 0 H SER A 62 12.122 14.217 -0.300 1.00 1.14 H new ATOM 0 HA SER A 62 10.928 15.818 1.643 1.00 1.11 H new ATOM 0 HB2 SER A 62 10.136 13.020 0.739 1.00 1.16 H new ATOM 0 HB3 SER A 62 9.094 14.159 1.568 1.00 1.16 H new ATOM 0 HG SER A 62 10.236 14.379 -1.043 1.00 2.07 H new ATOM 990 N LEU A 63 12.393 13.182 2.934 1.00 0.90 N ATOM 991 CA LEU A 63 12.896 12.677 4.203 1.00 0.92 C ATOM 992 C LEU A 63 13.910 13.667 4.784 1.00 1.08 C ATOM 993 O LEU A 63 13.739 14.136 5.910 1.00 1.16 O ATOM 994 CB LEU A 63 13.468 11.255 4.055 1.00 0.95 C ATOM 995 CG LEU A 63 12.438 10.115 3.883 1.00 1.25 C ATOM 996 CD1 LEU A 63 11.044 10.488 3.347 1.00 1.55 C ATOM 997 CD2 LEU A 63 13.017 9.079 2.919 1.00 1.85 C ATOM 0 H LEU A 63 12.781 12.713 2.115 1.00 0.90 H new ATOM 0 HA LEU A 63 12.070 12.593 4.910 1.00 0.92 H new ATOM 0 HB2 LEU A 63 14.137 11.244 3.195 1.00 0.95 H new ATOM 0 HB3 LEU A 63 14.075 11.038 4.934 1.00 0.95 H new ATOM 0 HG LEU A 63 12.275 9.761 4.901 1.00 1.25 H new ATOM 0 HD11 LEU A 63 10.429 9.591 3.278 1.00 1.55 H new ATOM 0 HD12 LEU A 63 10.573 11.201 4.024 1.00 1.55 H new ATOM 0 HD13 LEU A 63 11.142 10.937 2.359 1.00 1.55 H new ATOM 0 HD21 LEU A 63 12.303 8.267 2.786 1.00 1.85 H new ATOM 0 HD22 LEU A 63 13.215 9.549 1.956 1.00 1.85 H new ATOM 0 HD23 LEU A 63 13.946 8.682 3.327 1.00 1.85 H new ATOM 1009 N ASP A 64 14.949 13.988 4.008 1.00 1.22 N ATOM 1010 CA ASP A 64 16.058 14.853 4.396 1.00 1.45 C ATOM 1011 C ASP A 64 15.589 16.111 5.131 1.00 1.51 C ATOM 1012 O ASP A 64 16.156 16.476 6.159 1.00 1.63 O ATOM 1013 CB ASP A 64 16.861 15.234 3.151 1.00 1.57 C ATOM 1014 CG ASP A 64 18.069 16.083 3.514 1.00 1.88 C ATOM 1015 OD1 ASP A 64 19.087 15.475 3.909 1.00 3.18 O ATOM 1016 OD2 ASP A 64 17.952 17.318 3.374 1.00 1.82 O ATOM 0 H ASP A 64 15.041 13.636 3.055 1.00 1.22 H new ATOM 0 HA ASP A 64 16.687 14.298 5.092 1.00 1.45 H new ATOM 0 HB2 ASP A 64 17.189 14.331 2.636 1.00 1.57 H new ATOM 0 HB3 ASP A 64 16.223 15.782 2.457 1.00 1.57 H new ATOM 1021 N VAL A 65 14.546 16.764 4.612 1.00 1.46 N ATOM 1022 CA VAL A 65 14.100 18.048 5.136 1.00 1.60 C ATOM 1023 C VAL A 65 13.679 18.005 6.621 1.00 1.45 C ATOM 1024 O VAL A 65 14.103 18.870 7.384 1.00 1.55 O ATOM 1025 CB VAL A 65 13.050 18.670 4.196 1.00 1.70 C ATOM 1026 CG1 VAL A 65 11.721 17.910 4.188 1.00 2.05 C ATOM 1027 CG2 VAL A 65 12.807 20.138 4.550 1.00 2.89 C ATOM 0 H VAL A 65 13.995 16.419 3.826 1.00 1.46 H new ATOM 0 HA VAL A 65 14.959 18.718 5.147 1.00 1.60 H new ATOM 0 HB VAL A 65 13.465 18.598 3.191 1.00 1.70 H new ATOM 0 HG11 VAL A 65 11.026 18.400 3.506 1.00 2.05 H new ATOM 0 HG12 VAL A 65 11.890 16.885 3.859 1.00 2.05 H new ATOM 0 HG13 VAL A 65 11.299 17.904 5.193 1.00 2.05 H new ATOM 0 HG21 VAL A 65 12.062 20.557 3.873 1.00 2.89 H new ATOM 0 HG22 VAL A 65 12.446 20.210 5.576 1.00 2.89 H new ATOM 0 HG23 VAL A 65 13.739 20.695 4.453 1.00 2.89 H new ATOM 1037 N ASN A 66 12.842 17.046 7.050 1.00 1.27 N ATOM 1038 CA ASN A 66 12.389 16.959 8.451 1.00 1.15 C ATOM 1039 C ASN A 66 12.130 15.511 8.870 1.00 1.10 C ATOM 1040 O ASN A 66 11.044 15.179 9.354 1.00 1.04 O ATOM 1041 CB ASN A 66 11.096 17.770 8.682 1.00 1.10 C ATOM 1042 CG ASN A 66 11.302 19.279 8.630 1.00 1.44 C ATOM 1043 OD1 ASN A 66 11.879 19.865 9.541 1.00 2.21 O ATOM 1044 ND2 ASN A 66 10.796 19.936 7.590 1.00 2.22 N ATOM 0 H ASN A 66 12.463 16.317 6.445 1.00 1.27 H new ATOM 0 HA ASN A 66 13.194 17.376 9.056 1.00 1.15 H new ATOM 0 HB2 ASN A 66 10.360 17.486 7.929 1.00 1.10 H new ATOM 0 HB3 ASN A 66 10.678 17.502 9.653 1.00 1.10 H new ATOM 0 HD21 ASN A 66 10.883 20.951 7.537 1.00 2.22 H new ATOM 0 HD22 ASN A 66 10.321 19.425 6.846 1.00 2.22 H new ATOM 1051 N GLN A 67 13.133 14.640 8.760 1.00 1.22 N ATOM 1052 CA GLN A 67 12.892 13.226 9.015 1.00 1.17 C ATOM 1053 C GLN A 67 12.522 12.865 10.456 1.00 1.24 C ATOM 1054 O GLN A 67 12.062 11.753 10.709 1.00 1.27 O ATOM 1055 CB GLN A 67 14.046 12.337 8.595 1.00 1.25 C ATOM 1056 CG GLN A 67 15.377 12.799 9.205 1.00 1.46 C ATOM 1057 CD GLN A 67 16.212 13.486 8.143 1.00 1.65 C ATOM 1058 OE1 GLN A 67 16.664 12.822 7.214 1.00 2.40 O ATOM 1059 NE2 GLN A 67 16.376 14.799 8.260 1.00 2.07 N ATOM 0 H GLN A 67 14.091 14.881 8.504 1.00 1.22 H new ATOM 0 HA GLN A 67 12.018 13.037 8.391 1.00 1.17 H new ATOM 0 HB2 GLN A 67 13.843 11.311 8.901 1.00 1.25 H new ATOM 0 HB3 GLN A 67 14.126 12.336 7.508 1.00 1.25 H new ATOM 0 HG2 GLN A 67 15.191 13.482 10.034 1.00 1.46 H new ATOM 0 HG3 GLN A 67 15.918 11.945 9.611 1.00 1.46 H new ATOM 0 HE21 GLN A 67 15.975 15.294 9.057 1.00 2.07 H new ATOM 0 HE22 GLN A 67 16.903 15.312 7.553 1.00 2.07 H new ATOM 1068 N ASP A 68 12.805 13.748 11.409 1.00 1.34 N ATOM 1069 CA ASP A 68 12.364 13.565 12.784 1.00 1.46 C ATOM 1070 C ASP A 68 10.844 13.353 12.855 1.00 1.41 C ATOM 1071 O ASP A 68 10.352 12.631 13.720 1.00 1.68 O ATOM 1072 CB ASP A 68 12.812 14.778 13.603 1.00 1.67 C ATOM 1073 CG ASP A 68 12.438 14.620 15.069 1.00 2.82 C ATOM 1074 OD1 ASP A 68 13.106 13.798 15.731 1.00 3.72 O ATOM 1075 OD2 ASP A 68 11.514 15.342 15.496 1.00 3.92 O ATOM 0 H ASP A 68 13.341 14.601 11.251 1.00 1.34 H new ATOM 0 HA ASP A 68 12.817 12.666 13.202 1.00 1.46 H new ATOM 0 HB2 ASP A 68 13.891 14.903 13.512 1.00 1.67 H new ATOM 0 HB3 ASP A 68 12.351 15.681 13.203 1.00 1.67 H new ATOM 1080 N SER A 69 10.103 13.936 11.902 1.00 1.21 N ATOM 1081 CA SER A 69 8.676 13.690 11.744 1.00 1.34 C ATOM 1082 C SER A 69 8.389 12.205 11.469 1.00 1.50 C ATOM 1083 O SER A 69 9.300 11.396 11.272 1.00 2.48 O ATOM 1084 CB SER A 69 8.123 14.556 10.603 1.00 1.26 C ATOM 1085 OG SER A 69 8.682 15.855 10.619 1.00 2.03 O ATOM 0 H SER A 69 10.484 14.592 11.221 1.00 1.21 H new ATOM 0 HA SER A 69 8.180 13.957 12.677 1.00 1.34 H new ATOM 0 HB2 SER A 69 8.337 14.079 9.647 1.00 1.26 H new ATOM 0 HB3 SER A 69 7.039 14.625 10.690 1.00 1.26 H new ATOM 0 HG SER A 69 9.522 15.856 10.114 1.00 2.03 H new ATOM 1091 N GLU A 70 7.107 11.836 11.404 1.00 1.47 N ATOM 1092 CA GLU A 70 6.693 10.452 11.217 1.00 1.49 C ATOM 1093 C GLU A 70 5.586 10.307 10.179 1.00 1.53 C ATOM 1094 O GLU A 70 4.928 11.288 9.821 1.00 1.69 O ATOM 1095 CB GLU A 70 6.347 9.827 12.582 1.00 1.51 C ATOM 1096 CG GLU A 70 5.019 10.294 13.190 1.00 2.34 C ATOM 1097 CD GLU A 70 4.965 11.788 13.481 1.00 2.74 C ATOM 1098 OE1 GLU A 70 4.714 12.544 12.511 1.00 3.75 O ATOM 1099 OE2 GLU A 70 5.139 12.146 14.659 1.00 3.22 O ATOM 0 H GLU A 70 6.330 12.492 11.480 1.00 1.47 H new ATOM 0 HA GLU A 70 7.528 9.889 10.799 1.00 1.49 H new ATOM 0 HB2 GLU A 70 6.318 8.743 12.471 1.00 1.51 H new ATOM 0 HB3 GLU A 70 7.150 10.054 13.283 1.00 1.51 H new ATOM 0 HG2 GLU A 70 4.208 10.037 12.508 1.00 2.34 H new ATOM 0 HG3 GLU A 70 4.842 9.747 14.116 1.00 2.34 H new ATOM 1106 N LEU A 71 5.375 9.081 9.690 1.00 1.60 N ATOM 1107 CA LEU A 71 4.291 8.787 8.762 1.00 1.68 C ATOM 1108 C LEU A 71 3.231 7.920 9.439 1.00 1.57 C ATOM 1109 O LEU A 71 3.420 7.409 10.542 1.00 1.58 O ATOM 1110 CB LEU A 71 4.756 8.307 7.368 1.00 2.19 C ATOM 1111 CG LEU A 71 5.920 7.328 7.212 1.00 1.32 C ATOM 1112 CD1 LEU A 71 7.263 7.972 7.534 1.00 1.65 C ATOM 1113 CD2 LEU A 71 5.678 6.045 7.994 1.00 2.84 C ATOM 0 H LEU A 71 5.950 8.273 9.928 1.00 1.60 H new ATOM 0 HA LEU A 71 3.802 9.729 8.513 1.00 1.68 H new ATOM 0 HB2 LEU A 71 3.892 7.853 6.884 1.00 2.19 H new ATOM 0 HB3 LEU A 71 5.011 9.198 6.794 1.00 2.19 H new ATOM 0 HG LEU A 71 5.970 7.048 6.160 1.00 1.32 H new ATOM 0 HD11 LEU A 71 8.058 7.237 7.409 1.00 1.65 H new ATOM 0 HD12 LEU A 71 7.435 8.811 6.860 1.00 1.65 H new ATOM 0 HD13 LEU A 71 7.258 8.329 8.564 1.00 1.65 H new ATOM 0 HD21 LEU A 71 6.525 5.372 7.860 1.00 2.84 H new ATOM 0 HD22 LEU A 71 5.564 6.280 9.052 1.00 2.84 H new ATOM 0 HD23 LEU A 71 4.771 5.563 7.630 1.00 2.84 H new ATOM 1125 N LYS A 72 2.073 7.844 8.787 1.00 1.56 N ATOM 1126 CA LYS A 72 0.849 7.202 9.226 1.00 1.52 C ATOM 1127 C LYS A 72 0.347 6.421 8.007 1.00 1.54 C ATOM 1128 O LYS A 72 0.952 6.562 6.936 1.00 1.45 O ATOM 1129 CB LYS A 72 -0.165 8.281 9.662 1.00 1.47 C ATOM 1130 CG LYS A 72 0.355 9.210 10.777 1.00 1.45 C ATOM 1131 CD LYS A 72 1.012 10.506 10.255 1.00 1.58 C ATOM 1132 CE LYS A 72 1.672 11.288 11.407 1.00 1.85 C ATOM 1133 NZ LYS A 72 2.698 12.252 10.944 1.00 2.78 N ATOM 0 H LYS A 72 1.964 8.266 7.865 1.00 1.56 H new ATOM 0 HA LYS A 72 0.996 6.541 10.080 1.00 1.52 H new ATOM 0 HB2 LYS A 72 -0.434 8.885 8.795 1.00 1.47 H new ATOM 0 HB3 LYS A 72 -1.077 7.792 10.005 1.00 1.47 H new ATOM 0 HG2 LYS A 72 -0.474 9.473 11.433 1.00 1.45 H new ATOM 0 HG3 LYS A 72 1.080 8.665 11.382 1.00 1.45 H new ATOM 0 HD2 LYS A 72 1.760 10.261 9.500 1.00 1.58 H new ATOM 0 HD3 LYS A 72 0.261 11.130 9.770 1.00 1.58 H new ATOM 0 HE2 LYS A 72 0.902 11.825 11.961 1.00 1.85 H new ATOM 0 HE3 LYS A 72 2.131 10.583 12.100 1.00 1.85 H new ATOM 0 HZ1 LYS A 72 3.288 12.544 11.749 1.00 2.78 H new ATOM 0 HZ2 LYS A 72 3.296 11.802 10.222 1.00 2.78 H new ATOM 0 HZ3 LYS A 72 2.231 13.087 10.536 1.00 2.78 H new ATOM 1147 N PHE A 73 -0.741 5.646 8.144 1.00 1.71 N ATOM 1148 CA PHE A 73 -1.244 4.764 7.080 1.00 1.84 C ATOM 1149 C PHE A 73 -1.101 5.388 5.685 1.00 1.46 C ATOM 1150 O PHE A 73 -0.444 4.826 4.812 1.00 1.25 O ATOM 1151 CB PHE A 73 -2.732 4.418 7.291 1.00 2.33 C ATOM 1152 CG PHE A 73 -3.102 3.740 8.596 1.00 1.71 C ATOM 1153 CD1 PHE A 73 -2.659 2.432 8.857 1.00 2.99 C ATOM 1154 CD2 PHE A 73 -3.873 4.420 9.556 1.00 2.36 C ATOM 1155 CE1 PHE A 73 -2.907 1.838 10.106 1.00 4.18 C ATOM 1156 CE2 PHE A 73 -4.152 3.813 10.793 1.00 2.97 C ATOM 1157 CZ PHE A 73 -3.663 2.524 11.070 1.00 3.85 C ATOM 0 H PHE A 73 -1.298 5.614 8.998 1.00 1.71 H new ATOM 0 HA PHE A 73 -0.633 3.863 7.136 1.00 1.84 H new ATOM 0 HB2 PHE A 73 -3.309 5.340 7.213 1.00 2.33 H new ATOM 0 HB3 PHE A 73 -3.049 3.773 6.472 1.00 2.33 H new ATOM 0 HD1 PHE A 73 -2.126 1.882 8.095 1.00 2.99 H new ATOM 0 HD2 PHE A 73 -4.251 5.409 9.343 1.00 2.36 H new ATOM 0 HE1 PHE A 73 -2.517 0.855 10.324 1.00 4.18 H new ATOM 0 HE2 PHE A 73 -4.742 4.337 11.531 1.00 2.97 H new ATOM 0 HZ PHE A 73 -3.869 2.062 12.024 1.00 3.85 H new ATOM 1167 N ASN A 74 -1.725 6.553 5.484 1.00 1.45 N ATOM 1168 CA ASN A 74 -1.836 7.178 4.174 1.00 1.34 C ATOM 1169 C ASN A 74 -0.471 7.491 3.570 1.00 1.11 C ATOM 1170 O ASN A 74 -0.196 7.116 2.430 1.00 1.04 O ATOM 1171 CB ASN A 74 -2.659 8.460 4.284 1.00 1.46 C ATOM 1172 CG ASN A 74 -2.859 9.200 2.964 1.00 2.98 C ATOM 1173 OD1 ASN A 74 -3.124 10.396 2.987 1.00 3.66 O ATOM 1174 ND2 ASN A 74 -2.802 8.515 1.823 1.00 4.33 N ATOM 0 H ASN A 74 -2.167 7.087 6.232 1.00 1.45 H new ATOM 0 HA ASN A 74 -2.334 6.470 3.511 1.00 1.34 H new ATOM 0 HB2 ASN A 74 -3.636 8.215 4.700 1.00 1.46 H new ATOM 0 HB3 ASN A 74 -2.171 9.130 4.991 1.00 1.46 H new ATOM 0 HD21 ASN A 74 -2.982 8.986 0.936 1.00 4.33 H new ATOM 0 HD22 ASN A 74 -2.579 7.520 1.836 1.00 4.33 H new ATOM 1181 N GLU A 75 0.349 8.213 4.335 1.00 1.09 N ATOM 1182 CA GLU A 75 1.627 8.715 3.867 1.00 0.94 C ATOM 1183 C GLU A 75 2.573 7.555 3.593 1.00 0.81 C ATOM 1184 O GLU A 75 3.189 7.505 2.529 1.00 0.67 O ATOM 1185 CB GLU A 75 2.222 9.715 4.869 1.00 1.06 C ATOM 1186 CG GLU A 75 1.239 10.798 5.341 1.00 1.95 C ATOM 1187 CD GLU A 75 0.605 11.592 4.208 1.00 3.10 C ATOM 1188 OE1 GLU A 75 1.118 11.575 3.069 1.00 4.15 O ATOM 1189 OE2 GLU A 75 -0.448 12.214 4.447 1.00 3.90 O ATOM 0 H GLU A 75 0.137 8.463 5.301 1.00 1.09 H new ATOM 0 HA GLU A 75 1.476 9.253 2.931 1.00 0.94 H new ATOM 0 HB2 GLU A 75 2.586 9.167 5.738 1.00 1.06 H new ATOM 0 HB3 GLU A 75 3.086 10.199 4.412 1.00 1.06 H new ATOM 0 HG2 GLU A 75 0.450 10.328 5.928 1.00 1.95 H new ATOM 0 HG3 GLU A 75 1.763 11.486 6.005 1.00 1.95 H new ATOM 1196 N TYR A 76 2.644 6.603 4.537 1.00 0.92 N ATOM 1197 CA TYR A 76 3.361 5.352 4.324 1.00 0.87 C ATOM 1198 C TYR A 76 3.004 4.820 2.940 1.00 0.75 C ATOM 1199 O TYR A 76 3.879 4.557 2.116 1.00 0.64 O ATOM 1200 CB TYR A 76 2.974 4.324 5.397 1.00 1.10 C ATOM 1201 CG TYR A 76 3.652 2.980 5.211 1.00 0.96 C ATOM 1202 CD1 TYR A 76 4.904 2.735 5.802 1.00 1.65 C ATOM 1203 CD2 TYR A 76 3.063 1.997 4.393 1.00 2.45 C ATOM 1204 CE1 TYR A 76 5.602 1.550 5.512 1.00 1.95 C ATOM 1205 CE2 TYR A 76 3.753 0.805 4.122 1.00 2.37 C ATOM 1206 CZ TYR A 76 5.044 0.606 4.636 1.00 1.30 C ATOM 1207 OH TYR A 76 5.748 -0.505 4.287 1.00 1.72 O ATOM 0 H TYR A 76 2.209 6.684 5.456 1.00 0.92 H new ATOM 0 HA TYR A 76 4.435 5.528 4.393 1.00 0.87 H new ATOM 0 HB2 TYR A 76 3.231 4.720 6.379 1.00 1.10 H new ATOM 0 HB3 TYR A 76 1.893 4.183 5.383 1.00 1.10 H new ATOM 0 HD1 TYR A 76 5.330 3.459 6.480 1.00 1.65 H new ATOM 0 HD2 TYR A 76 2.081 2.160 3.974 1.00 2.45 H new ATOM 0 HE1 TYR A 76 6.566 1.366 5.963 1.00 1.95 H new ATOM 0 HE2 TYR A 76 3.290 0.040 3.517 1.00 2.37 H new ATOM 0 HH TYR A 76 5.213 -1.052 3.675 1.00 1.72 H new ATOM 1217 N TRP A 77 1.697 4.701 2.700 1.00 0.82 N ATOM 1218 CA TRP A 77 1.164 4.197 1.457 1.00 0.80 C ATOM 1219 C TRP A 77 1.752 4.908 0.240 1.00 0.70 C ATOM 1220 O TRP A 77 2.606 4.331 -0.429 1.00 0.63 O ATOM 1221 CB TRP A 77 -0.357 4.253 1.476 1.00 0.92 C ATOM 1222 CG TRP A 77 -0.946 2.975 1.046 1.00 0.92 C ATOM 1223 CD1 TRP A 77 -1.264 2.670 -0.220 1.00 0.93 C ATOM 1224 CD2 TRP A 77 -1.407 1.872 1.865 1.00 0.92 C ATOM 1225 NE1 TRP A 77 -1.811 1.420 -0.266 1.00 0.94 N ATOM 1226 CE2 TRP A 77 -2.003 0.916 1.000 1.00 0.93 C ATOM 1227 CE3 TRP A 77 -1.482 1.631 3.251 1.00 0.92 C ATOM 1228 CZ2 TRP A 77 -2.665 -0.210 1.483 1.00 0.94 C ATOM 1229 CZ3 TRP A 77 -2.146 0.492 3.732 1.00 0.93 C ATOM 1230 CH2 TRP A 77 -2.707 -0.437 2.861 1.00 0.94 C ATOM 0 H TRP A 77 0.980 4.958 3.378 1.00 0.82 H new ATOM 0 HA TRP A 77 1.464 3.153 1.363 1.00 0.80 H new ATOM 0 HB2 TRP A 77 -0.701 4.494 2.482 1.00 0.92 H new ATOM 0 HB3 TRP A 77 -0.702 5.053 0.821 1.00 0.92 H new ATOM 0 HD1 TRP A 77 -1.111 3.314 -1.073 1.00 0.93 H new ATOM 0 HE1 TRP A 77 -2.046 0.925 -1.126 1.00 0.94 H new ATOM 0 HE3 TRP A 77 -1.028 2.324 3.944 1.00 0.92 H new ATOM 0 HZ2 TRP A 77 -3.140 -0.899 0.801 1.00 0.94 H new ATOM 0 HZ3 TRP A 77 -2.223 0.334 4.798 1.00 0.93 H new ATOM 0 HH2 TRP A 77 -3.173 -1.331 3.249 1.00 0.94 H new ATOM 1241 N ARG A 78 1.282 6.119 -0.088 1.00 0.79 N ATOM 1242 CA ARG A 78 1.743 6.840 -1.268 1.00 0.82 C ATOM 1243 C ARG A 78 3.274 6.790 -1.418 1.00 0.78 C ATOM 1244 O ARG A 78 3.753 6.511 -2.516 1.00 0.77 O ATOM 1245 CB ARG A 78 1.130 8.251 -1.343 1.00 1.16 C ATOM 1246 CG ARG A 78 1.078 9.125 -0.078 1.00 1.16 C ATOM 1247 CD ARG A 78 -0.231 9.939 -0.131 1.00 2.12 C ATOM 1248 NE ARG A 78 -0.380 10.900 0.974 1.00 2.91 N ATOM 1249 CZ ARG A 78 -1.399 11.772 1.085 1.00 4.11 C ATOM 1250 NH1 ARG A 78 -2.456 11.710 0.264 1.00 4.96 N ATOM 1251 NH2 ARG A 78 -1.365 12.724 2.019 1.00 4.95 N ATOM 0 H ARG A 78 0.578 6.618 0.456 1.00 0.79 H new ATOM 0 HA ARG A 78 1.370 6.322 -2.151 1.00 0.82 H new ATOM 0 HB2 ARG A 78 1.682 8.807 -2.101 1.00 1.16 H new ATOM 0 HB3 ARG A 78 0.108 8.144 -1.708 1.00 1.16 H new ATOM 0 HG2 ARG A 78 1.108 8.505 0.818 1.00 1.16 H new ATOM 0 HG3 ARG A 78 1.941 9.789 -0.035 1.00 1.16 H new ATOM 0 HD2 ARG A 78 -0.274 10.478 -1.077 1.00 2.12 H new ATOM 0 HD3 ARG A 78 -1.076 9.251 -0.118 1.00 2.12 H new ATOM 0 HE ARG A 78 0.335 10.905 1.702 1.00 2.91 H new ATOM 0 HH11 ARG A 78 -2.498 10.993 -0.460 1.00 4.96 H new ATOM 0 HH12 ARG A 78 -3.219 12.380 0.363 1.00 4.96 H new ATOM 0 HH21 ARG A 78 -0.566 12.791 2.650 1.00 4.95 H new ATOM 0 HH22 ARG A 78 -2.138 13.384 2.102 1.00 4.95 H new ATOM 1265 N LEU A 79 4.042 6.946 -0.330 1.00 0.80 N ATOM 1266 CA LEU A 79 5.494 6.788 -0.404 1.00 0.79 C ATOM 1267 C LEU A 79 5.907 5.401 -0.918 1.00 0.75 C ATOM 1268 O LEU A 79 6.733 5.321 -1.829 1.00 0.80 O ATOM 1269 CB LEU A 79 6.173 7.081 0.940 1.00 0.84 C ATOM 1270 CG LEU A 79 6.444 8.571 1.230 1.00 0.94 C ATOM 1271 CD1 LEU A 79 5.304 9.532 0.870 1.00 1.08 C ATOM 1272 CD2 LEU A 79 6.802 8.734 2.711 1.00 1.06 C ATOM 0 H LEU A 79 3.685 7.178 0.597 1.00 0.80 H new ATOM 0 HA LEU A 79 5.838 7.527 -1.128 1.00 0.79 H new ATOM 0 HB2 LEU A 79 5.549 6.680 1.739 1.00 0.84 H new ATOM 0 HB3 LEU A 79 7.120 6.543 0.975 1.00 0.84 H new ATOM 0 HG LEU A 79 7.269 8.852 0.575 1.00 0.94 H new ATOM 0 HD11 LEU A 79 5.598 10.553 1.114 1.00 1.08 H new ATOM 0 HD12 LEU A 79 5.091 9.461 -0.197 1.00 1.08 H new ATOM 0 HD13 LEU A 79 4.412 9.266 1.437 1.00 1.08 H new ATOM 0 HD21 LEU A 79 6.995 9.785 2.925 1.00 1.06 H new ATOM 0 HD22 LEU A 79 5.973 8.385 3.326 1.00 1.06 H new ATOM 0 HD23 LEU A 79 7.693 8.148 2.937 1.00 1.06 H new ATOM 1284 N ILE A 80 5.399 4.288 -0.365 1.00 0.69 N ATOM 1285 CA ILE A 80 5.788 3.000 -0.949 1.00 0.69 C ATOM 1286 C ILE A 80 5.231 2.858 -2.373 1.00 0.68 C ATOM 1287 O ILE A 80 5.806 2.155 -3.198 1.00 0.68 O ATOM 1288 CB ILE A 80 5.511 1.749 -0.091 1.00 0.70 C ATOM 1289 CG1 ILE A 80 4.057 1.284 -0.156 1.00 0.74 C ATOM 1290 CG2 ILE A 80 5.946 1.962 1.348 1.00 0.66 C ATOM 1291 CD1 ILE A 80 3.791 -0.102 0.433 1.00 0.66 C ATOM 0 H ILE A 80 4.762 4.250 0.431 1.00 0.69 H new ATOM 0 HA ILE A 80 6.877 3.035 -0.986 1.00 0.69 H new ATOM 0 HB ILE A 80 6.112 0.948 -0.523 1.00 0.70 H new ATOM 0 HG12 ILE A 80 3.436 2.010 0.369 1.00 0.74 H new ATOM 0 HG13 ILE A 80 3.738 1.286 -1.198 1.00 0.74 H new ATOM 0 HG21 ILE A 80 5.738 1.063 1.928 1.00 0.66 H new ATOM 0 HG22 ILE A 80 7.015 2.174 1.377 1.00 0.66 H new ATOM 0 HG23 ILE A 80 5.398 2.803 1.773 1.00 0.66 H new ATOM 0 HD11 ILE A 80 2.731 -0.340 0.339 1.00 0.66 H new ATOM 0 HD12 ILE A 80 4.379 -0.845 -0.106 1.00 0.66 H new ATOM 0 HD13 ILE A 80 4.073 -0.110 1.486 1.00 0.66 H new ATOM 1303 N GLY A 81 4.108 3.518 -2.660 1.00 0.68 N ATOM 1304 CA GLY A 81 3.572 3.638 -4.006 1.00 0.68 C ATOM 1305 C GLY A 81 4.638 4.158 -4.965 1.00 0.67 C ATOM 1306 O GLY A 81 4.874 3.572 -6.025 1.00 0.71 O ATOM 0 H GLY A 81 3.543 3.988 -1.953 1.00 0.68 H new ATOM 0 HA2 GLY A 81 3.211 2.668 -4.347 1.00 0.68 H new ATOM 0 HA3 GLY A 81 2.717 4.314 -4.004 1.00 0.68 H new ATOM 1310 N GLU A 82 5.311 5.246 -4.575 1.00 0.66 N ATOM 1311 CA GLU A 82 6.477 5.730 -5.295 1.00 0.63 C ATOM 1312 C GLU A 82 7.492 4.590 -5.456 1.00 0.64 C ATOM 1313 O GLU A 82 7.905 4.310 -6.577 1.00 0.70 O ATOM 1314 CB GLU A 82 7.065 6.972 -4.614 1.00 0.57 C ATOM 1315 CG GLU A 82 6.086 8.149 -4.547 1.00 0.77 C ATOM 1316 CD GLU A 82 6.695 9.286 -3.739 1.00 1.69 C ATOM 1317 OE1 GLU A 82 7.859 9.623 -4.042 1.00 2.76 O ATOM 1318 OE2 GLU A 82 6.018 9.741 -2.795 1.00 2.53 O ATOM 0 H GLU A 82 5.061 5.805 -3.760 1.00 0.66 H new ATOM 0 HA GLU A 82 6.186 6.049 -6.296 1.00 0.63 H new ATOM 0 HB2 GLU A 82 7.376 6.710 -3.603 1.00 0.57 H new ATOM 0 HB3 GLU A 82 7.960 7.283 -5.153 1.00 0.57 H new ATOM 0 HG2 GLU A 82 5.849 8.493 -5.554 1.00 0.77 H new ATOM 0 HG3 GLU A 82 5.149 7.828 -4.091 1.00 0.77 H new ATOM 1325 N LEU A 83 7.842 3.870 -4.379 1.00 0.62 N ATOM 1326 CA LEU A 83 8.723 2.700 -4.489 1.00 0.67 C ATOM 1327 C LEU A 83 8.265 1.730 -5.590 1.00 0.75 C ATOM 1328 O LEU A 83 9.061 1.376 -6.459 1.00 0.83 O ATOM 1329 CB LEU A 83 8.889 1.953 -3.152 1.00 0.74 C ATOM 1330 CG LEU A 83 10.302 1.953 -2.547 1.00 1.13 C ATOM 1331 CD1 LEU A 83 11.370 1.426 -3.510 1.00 2.22 C ATOM 1332 CD2 LEU A 83 10.698 3.326 -2.012 1.00 2.55 C ATOM 0 H LEU A 83 7.531 4.076 -3.430 1.00 0.62 H new ATOM 0 HA LEU A 83 9.700 3.095 -4.769 1.00 0.67 H new ATOM 0 HB2 LEU A 83 8.205 2.393 -2.426 1.00 0.74 H new ATOM 0 HB3 LEU A 83 8.578 0.918 -3.296 1.00 0.74 H new ATOM 0 HG LEU A 83 10.255 1.259 -1.708 1.00 1.13 H new ATOM 0 HD11 LEU A 83 12.344 1.452 -3.022 1.00 2.22 H new ATOM 0 HD12 LEU A 83 11.132 0.400 -3.791 1.00 2.22 H new ATOM 0 HD13 LEU A 83 11.394 2.050 -4.403 1.00 2.22 H new ATOM 0 HD21 LEU A 83 11.704 3.278 -1.594 1.00 2.55 H new ATOM 0 HD22 LEU A 83 10.677 4.053 -2.824 1.00 2.55 H new ATOM 0 HD23 LEU A 83 9.997 3.630 -1.235 1.00 2.55 H new ATOM 1344 N ALA A 84 6.999 1.293 -5.580 1.00 0.74 N ATOM 1345 CA ALA A 84 6.464 0.449 -6.646 1.00 0.84 C ATOM 1346 C ALA A 84 6.692 1.070 -8.033 1.00 0.91 C ATOM 1347 O ALA A 84 7.056 0.370 -8.976 1.00 1.05 O ATOM 1348 CB ALA A 84 4.979 0.167 -6.394 1.00 0.81 C ATOM 0 H ALA A 84 6.329 1.513 -4.843 1.00 0.74 H new ATOM 0 HA ALA A 84 7.004 -0.498 -6.636 1.00 0.84 H new ATOM 0 HB1 ALA A 84 4.588 -0.463 -7.193 1.00 0.81 H new ATOM 0 HB2 ALA A 84 4.863 -0.345 -5.439 1.00 0.81 H new ATOM 0 HB3 ALA A 84 4.429 1.108 -6.371 1.00 0.81 H new ATOM 1354 N LYS A 85 6.484 2.384 -8.164 1.00 0.91 N ATOM 1355 CA LYS A 85 6.753 3.117 -9.399 1.00 1.04 C ATOM 1356 C LYS A 85 8.253 3.130 -9.748 1.00 1.06 C ATOM 1357 O LYS A 85 8.601 3.082 -10.928 1.00 1.34 O ATOM 1358 CB LYS A 85 6.117 4.514 -9.291 1.00 1.15 C ATOM 1359 CG LYS A 85 6.339 5.440 -10.498 1.00 1.41 C ATOM 1360 CD LYS A 85 7.475 6.446 -10.249 1.00 1.65 C ATOM 1361 CE LYS A 85 7.443 7.549 -11.319 1.00 2.29 C ATOM 1362 NZ LYS A 85 8.467 8.586 -11.080 1.00 3.02 N ATOM 0 H LYS A 85 6.122 2.969 -7.411 1.00 0.91 H new ATOM 0 HA LYS A 85 6.291 2.608 -10.245 1.00 1.04 H new ATOM 0 HB2 LYS A 85 5.044 4.394 -9.140 1.00 1.15 H new ATOM 0 HB3 LYS A 85 6.511 5.005 -8.401 1.00 1.15 H new ATOM 0 HG2 LYS A 85 6.572 4.840 -11.378 1.00 1.41 H new ATOM 0 HG3 LYS A 85 5.417 5.980 -10.715 1.00 1.41 H new ATOM 0 HD2 LYS A 85 7.371 6.886 -9.257 1.00 1.65 H new ATOM 0 HD3 LYS A 85 8.437 5.934 -10.271 1.00 1.65 H new ATOM 0 HE2 LYS A 85 7.601 7.105 -12.302 1.00 2.29 H new ATOM 0 HE3 LYS A 85 6.456 8.011 -11.333 1.00 2.29 H new ATOM 0 HZ1 LYS A 85 8.183 9.469 -11.550 1.00 3.02 H new ATOM 0 HZ2 LYS A 85 8.561 8.752 -10.058 1.00 3.02 H new ATOM 0 HZ3 LYS A 85 9.380 8.268 -11.464 1.00 3.02 H new ATOM 1376 N GLU A 86 9.141 3.204 -8.752 1.00 0.82 N ATOM 1377 CA GLU A 86 10.587 3.116 -8.922 1.00 0.88 C ATOM 1378 C GLU A 86 10.973 1.708 -9.393 1.00 0.96 C ATOM 1379 O GLU A 86 11.376 1.522 -10.543 1.00 1.07 O ATOM 1380 CB GLU A 86 11.291 3.520 -7.611 1.00 0.86 C ATOM 1381 CG GLU A 86 11.194 5.037 -7.367 1.00 1.08 C ATOM 1382 CD GLU A 86 10.883 5.423 -5.923 1.00 1.31 C ATOM 1383 OE1 GLU A 86 11.616 5.046 -4.985 1.00 1.82 O ATOM 1384 OE2 GLU A 86 9.918 6.189 -5.725 1.00 2.30 O ATOM 0 H GLU A 86 8.862 3.330 -7.779 1.00 0.82 H new ATOM 0 HA GLU A 86 10.918 3.812 -9.693 1.00 0.88 H new ATOM 0 HB2 GLU A 86 10.841 2.986 -6.775 1.00 0.86 H new ATOM 0 HB3 GLU A 86 12.339 3.223 -7.652 1.00 0.86 H new ATOM 0 HG2 GLU A 86 12.136 5.501 -7.660 1.00 1.08 H new ATOM 0 HG3 GLU A 86 10.421 5.449 -8.015 1.00 1.08 H new ATOM 1391 N ILE A 87 10.855 0.697 -8.528 1.00 0.93 N ATOM 1392 CA ILE A 87 11.254 -0.656 -8.885 1.00 1.03 C ATOM 1393 C ILE A 87 10.135 -1.319 -9.691 1.00 1.06 C ATOM 1394 O ILE A 87 9.257 -2.002 -9.164 1.00 1.05 O ATOM 1395 CB ILE A 87 11.755 -1.475 -7.675 1.00 1.07 C ATOM 1396 CG1 ILE A 87 12.115 -2.923 -8.066 1.00 1.63 C ATOM 1397 CG2 ILE A 87 10.799 -1.495 -6.476 1.00 1.23 C ATOM 1398 CD1 ILE A 87 13.102 -3.005 -9.236 1.00 1.53 C ATOM 0 H ILE A 87 10.488 0.794 -7.581 1.00 0.93 H new ATOM 0 HA ILE A 87 12.131 -0.613 -9.531 1.00 1.03 H new ATOM 0 HB ILE A 87 12.652 -0.945 -7.355 1.00 1.07 H new ATOM 0 HG12 ILE A 87 12.543 -3.430 -7.201 1.00 1.63 H new ATOM 0 HG13 ILE A 87 11.203 -3.459 -8.330 1.00 1.63 H new ATOM 0 HG21 ILE A 87 11.233 -2.093 -5.675 1.00 1.23 H new ATOM 0 HG22 ILE A 87 10.638 -0.477 -6.122 1.00 1.23 H new ATOM 0 HG23 ILE A 87 9.846 -1.929 -6.778 1.00 1.23 H new ATOM 0 HD11 ILE A 87 13.314 -4.050 -9.461 1.00 1.53 H new ATOM 0 HD12 ILE A 87 12.667 -2.526 -10.113 1.00 1.53 H new ATOM 0 HD13 ILE A 87 14.028 -2.497 -8.967 1.00 1.53 H new ATOM 1410 N ARG A 88 10.228 -1.183 -11.016 1.00 1.19 N ATOM 1411 CA ARG A 88 9.235 -1.718 -11.930 1.00 1.32 C ATOM 1412 C ARG A 88 9.509 -3.216 -12.101 1.00 1.39 C ATOM 1413 O ARG A 88 10.086 -3.658 -13.095 1.00 1.66 O ATOM 1414 CB ARG A 88 9.307 -0.952 -13.262 1.00 1.49 C ATOM 1415 CG ARG A 88 8.169 -1.351 -14.212 1.00 2.32 C ATOM 1416 CD ARG A 88 8.323 -0.655 -15.570 1.00 2.43 C ATOM 1417 NE ARG A 88 7.234 -1.036 -16.484 1.00 3.65 N ATOM 1418 CZ ARG A 88 7.167 -0.710 -17.786 1.00 4.19 C ATOM 1419 NH1 ARG A 88 8.132 0.038 -18.335 1.00 3.67 N ATOM 1420 NH2 ARG A 88 6.139 -1.132 -18.532 1.00 5.61 N ATOM 0 H ARG A 88 10.997 -0.698 -11.478 1.00 1.19 H new ATOM 0 HA ARG A 88 8.223 -1.595 -11.543 1.00 1.32 H new ATOM 0 HB2 ARG A 88 9.259 0.120 -13.068 1.00 1.49 H new ATOM 0 HB3 ARG A 88 10.266 -1.147 -13.742 1.00 1.49 H new ATOM 0 HG2 ARG A 88 8.167 -2.432 -14.351 1.00 2.32 H new ATOM 0 HG3 ARG A 88 7.209 -1.085 -13.769 1.00 2.32 H new ATOM 0 HD2 ARG A 88 8.324 0.426 -15.431 1.00 2.43 H new ATOM 0 HD3 ARG A 88 9.283 -0.920 -16.012 1.00 2.43 H new ATOM 0 HE ARG A 88 6.470 -1.591 -16.099 1.00 3.65 H new ATOM 0 HH11 ARG A 88 8.915 0.359 -17.765 1.00 3.67 H new ATOM 0 HH12 ARG A 88 8.084 0.287 -19.323 1.00 3.67 H new ATOM 0 HH21 ARG A 88 5.405 -1.702 -18.112 1.00 5.61 H new ATOM 0 HH22 ARG A 88 6.090 -0.883 -19.520 1.00 5.61 H new ATOM 1434 N LYS A 89 9.081 -3.988 -11.097 1.00 1.29 N ATOM 1435 CA LYS A 89 9.058 -5.445 -11.099 1.00 1.44 C ATOM 1436 C LYS A 89 8.485 -5.937 -12.430 1.00 1.82 C ATOM 1437 O LYS A 89 7.326 -5.650 -12.740 1.00 2.42 O ATOM 1438 CB LYS A 89 8.182 -5.952 -9.941 1.00 1.70 C ATOM 1439 CG LYS A 89 8.656 -5.502 -8.551 1.00 1.04 C ATOM 1440 CD LYS A 89 7.529 -5.691 -7.525 1.00 1.47 C ATOM 1441 CE LYS A 89 8.036 -5.342 -6.116 1.00 1.71 C ATOM 1442 NZ LYS A 89 7.307 -6.031 -5.033 1.00 3.09 N ATOM 0 H LYS A 89 8.727 -3.593 -10.226 1.00 1.29 H new ATOM 0 HA LYS A 89 10.072 -5.826 -10.973 1.00 1.44 H new ATOM 0 HB2 LYS A 89 7.160 -5.605 -10.094 1.00 1.70 H new ATOM 0 HB3 LYS A 89 8.157 -7.041 -9.969 1.00 1.70 H new ATOM 0 HG2 LYS A 89 9.532 -6.078 -8.252 1.00 1.04 H new ATOM 0 HG3 LYS A 89 8.959 -4.455 -8.582 1.00 1.04 H new ATOM 0 HD2 LYS A 89 6.681 -5.056 -7.783 1.00 1.47 H new ATOM 0 HD3 LYS A 89 7.174 -6.721 -7.548 1.00 1.47 H new ATOM 0 HE2 LYS A 89 9.094 -5.595 -6.048 1.00 1.71 H new ATOM 0 HE3 LYS A 89 7.956 -4.265 -5.967 1.00 1.71 H new ATOM 0 HZ1 LYS A 89 7.235 -5.402 -4.208 1.00 3.09 H new ATOM 0 HZ2 LYS A 89 6.353 -6.282 -5.362 1.00 3.09 H new ATOM 0 HZ3 LYS A 89 7.819 -6.895 -4.765 1.00 3.09 H new ATOM 1456 N LYS A 90 9.286 -6.675 -13.208 1.00 1.92 N ATOM 1457 CA LYS A 90 8.841 -7.258 -14.466 1.00 2.37 C ATOM 1458 C LYS A 90 7.663 -8.193 -14.188 1.00 2.39 C ATOM 1459 O LYS A 90 6.575 -8.016 -14.738 1.00 3.35 O ATOM 1460 CB LYS A 90 9.995 -8.006 -15.155 1.00 2.83 C ATOM 1461 CG LYS A 90 11.174 -7.086 -15.507 1.00 3.36 C ATOM 1462 CD LYS A 90 12.181 -7.865 -16.368 1.00 4.18 C ATOM 1463 CE LYS A 90 13.420 -7.043 -16.752 1.00 5.27 C ATOM 1464 NZ LYS A 90 14.313 -6.785 -15.602 1.00 6.18 N ATOM 0 H LYS A 90 10.258 -6.881 -12.978 1.00 1.92 H new ATOM 0 HA LYS A 90 8.517 -6.468 -15.143 1.00 2.37 H new ATOM 0 HB2 LYS A 90 10.346 -8.805 -14.502 1.00 2.83 H new ATOM 0 HB3 LYS A 90 9.624 -8.478 -16.065 1.00 2.83 H new ATOM 0 HG2 LYS A 90 10.818 -6.208 -16.047 1.00 3.36 H new ATOM 0 HG3 LYS A 90 11.656 -6.727 -14.597 1.00 3.36 H new ATOM 0 HD2 LYS A 90 12.499 -8.756 -15.826 1.00 4.18 H new ATOM 0 HD3 LYS A 90 11.684 -8.205 -17.277 1.00 4.18 H new ATOM 0 HE2 LYS A 90 13.976 -7.571 -17.527 1.00 5.27 H new ATOM 0 HE3 LYS A 90 13.102 -6.092 -17.180 1.00 5.27 H new ATOM 0 HZ1 LYS A 90 15.132 -6.227 -15.917 1.00 6.18 H new ATOM 0 HZ2 LYS A 90 13.795 -6.257 -14.872 1.00 6.18 H new ATOM 0 HZ3 LYS A 90 14.641 -7.690 -15.208 1.00 6.18 H new ATOM 1478 N LYS A 91 7.873 -9.145 -13.277 1.00 1.91 N ATOM 1479 CA LYS A 91 6.854 -10.048 -12.763 1.00 2.46 C ATOM 1480 C LYS A 91 7.450 -10.823 -11.584 1.00 2.24 C ATOM 1481 O LYS A 91 6.950 -10.733 -10.465 1.00 2.71 O ATOM 1482 CB LYS A 91 6.350 -10.976 -13.884 1.00 3.28 C ATOM 1483 CG LYS A 91 5.312 -12.006 -13.405 1.00 4.41 C ATOM 1484 CD LYS A 91 4.858 -12.932 -14.546 1.00 5.13 C ATOM 1485 CE LYS A 91 5.988 -13.905 -14.921 1.00 4.77 C ATOM 1486 NZ LYS A 91 5.599 -14.904 -15.932 1.00 5.58 N ATOM 0 H LYS A 91 8.791 -9.310 -12.865 1.00 1.91 H new ATOM 0 HA LYS A 91 5.986 -9.492 -12.408 1.00 2.46 H new ATOM 0 HB2 LYS A 91 5.911 -10.370 -14.677 1.00 3.28 H new ATOM 0 HB3 LYS A 91 7.199 -11.503 -14.319 1.00 3.28 H new ATOM 0 HG2 LYS A 91 5.738 -12.604 -12.599 1.00 4.41 H new ATOM 0 HG3 LYS A 91 4.447 -11.486 -12.993 1.00 4.41 H new ATOM 0 HD2 LYS A 91 3.973 -13.491 -14.241 1.00 5.13 H new ATOM 0 HD3 LYS A 91 4.576 -12.338 -15.416 1.00 5.13 H new ATOM 0 HE2 LYS A 91 6.838 -13.334 -15.296 1.00 4.77 H new ATOM 0 HE3 LYS A 91 6.323 -14.422 -14.022 1.00 4.77 H new ATOM 0 HZ1 LYS A 91 6.408 -15.525 -16.136 1.00 5.58 H new ATOM 0 HZ2 LYS A 91 4.808 -15.474 -15.570 1.00 5.58 H new ATOM 0 HZ3 LYS A 91 5.306 -14.419 -16.804 1.00 5.58 H new ATOM 1500 N ASP A 92 8.523 -11.579 -11.822 1.00 2.05 N ATOM 1501 CA ASP A 92 8.932 -12.669 -10.947 1.00 2.26 C ATOM 1502 C ASP A 92 9.862 -12.128 -9.864 1.00 1.76 C ATOM 1503 O ASP A 92 10.979 -12.608 -9.689 1.00 1.97 O ATOM 1504 CB ASP A 92 9.648 -13.747 -11.788 1.00 2.90 C ATOM 1505 CG ASP A 92 8.941 -14.078 -13.094 1.00 4.03 C ATOM 1506 OD1 ASP A 92 8.961 -13.186 -13.973 1.00 4.96 O ATOM 1507 OD2 ASP A 92 8.376 -15.187 -13.198 1.00 4.65 O ATOM 0 H ASP A 92 9.132 -11.449 -12.630 1.00 2.05 H new ATOM 0 HA ASP A 92 8.060 -13.114 -10.467 1.00 2.26 H new ATOM 0 HB2 ASP A 92 10.660 -13.409 -12.009 1.00 2.90 H new ATOM 0 HB3 ASP A 92 9.739 -14.657 -11.194 1.00 2.90 H new ATOM 1512 N LEU A 93 9.410 -11.134 -9.099 1.00 1.51 N ATOM 1513 CA LEU A 93 10.330 -10.401 -8.237 1.00 1.29 C ATOM 1514 C LEU A 93 10.926 -11.248 -7.115 1.00 1.19 C ATOM 1515 O LEU A 93 11.948 -10.875 -6.561 1.00 1.34 O ATOM 1516 CB LEU A 93 9.784 -9.058 -7.743 1.00 1.77 C ATOM 1517 CG LEU A 93 8.576 -9.072 -6.795 1.00 1.41 C ATOM 1518 CD1 LEU A 93 7.312 -9.548 -7.519 1.00 2.94 C ATOM 1519 CD2 LEU A 93 8.795 -9.790 -5.461 1.00 2.18 C ATOM 0 H LEU A 93 8.439 -10.826 -9.059 1.00 1.51 H new ATOM 0 HA LEU A 93 11.166 -10.148 -8.890 1.00 1.29 H new ATOM 0 HB2 LEU A 93 10.596 -8.533 -7.240 1.00 1.77 H new ATOM 0 HB3 LEU A 93 9.514 -8.466 -8.618 1.00 1.77 H new ATOM 0 HG LEU A 93 8.434 -8.032 -6.500 1.00 1.41 H new ATOM 0 HD11 LEU A 93 6.473 -9.548 -6.824 1.00 2.94 H new ATOM 0 HD12 LEU A 93 7.095 -8.877 -8.350 1.00 2.94 H new ATOM 0 HD13 LEU A 93 7.469 -10.558 -7.899 1.00 2.94 H new ATOM 0 HD21 LEU A 93 7.882 -9.742 -4.868 1.00 2.18 H new ATOM 0 HD22 LEU A 93 9.052 -10.833 -5.647 1.00 2.18 H new ATOM 0 HD23 LEU A 93 9.607 -9.308 -4.917 1.00 2.18 H new ATOM 1531 N LYS A 94 10.306 -12.377 -6.772 1.00 1.27 N ATOM 1532 CA LYS A 94 10.836 -13.309 -5.785 1.00 1.30 C ATOM 1533 C LYS A 94 12.144 -13.965 -6.269 1.00 1.44 C ATOM 1534 O LYS A 94 12.790 -14.666 -5.501 1.00 1.49 O ATOM 1535 CB LYS A 94 9.778 -14.348 -5.361 1.00 1.65 C ATOM 1536 CG LYS A 94 8.423 -13.737 -4.955 1.00 1.99 C ATOM 1537 CD LYS A 94 7.385 -14.834 -4.642 1.00 2.54 C ATOM 1538 CE LYS A 94 6.956 -14.899 -3.167 1.00 2.36 C ATOM 1539 NZ LYS A 94 6.211 -13.703 -2.746 1.00 2.49 N ATOM 0 H LYS A 94 9.416 -12.670 -7.176 1.00 1.27 H new ATOM 0 HA LYS A 94 11.087 -12.736 -4.892 1.00 1.30 H new ATOM 0 HB2 LYS A 94 9.618 -15.044 -6.184 1.00 1.65 H new ATOM 0 HB3 LYS A 94 10.168 -14.927 -4.524 1.00 1.65 H new ATOM 0 HG2 LYS A 94 8.556 -13.100 -4.081 1.00 1.99 H new ATOM 0 HG3 LYS A 94 8.052 -13.102 -5.759 1.00 1.99 H new ATOM 0 HD2 LYS A 94 6.501 -14.668 -5.258 1.00 2.54 H new ATOM 0 HD3 LYS A 94 7.797 -15.801 -4.931 1.00 2.54 H new ATOM 0 HE2 LYS A 94 6.338 -15.783 -3.010 1.00 2.36 H new ATOM 0 HE3 LYS A 94 7.840 -15.013 -2.539 1.00 2.36 H new ATOM 0 HZ1 LYS A 94 6.033 -13.748 -1.722 1.00 2.49 H new ATOM 0 HZ2 LYS A 94 6.768 -12.852 -2.964 1.00 2.49 H new ATOM 0 HZ3 LYS A 94 5.304 -13.662 -3.254 1.00 2.49 H new ATOM 1553 N ILE A 95 12.457 -13.914 -7.569 1.00 1.61 N ATOM 1554 CA ILE A 95 13.503 -14.718 -8.189 1.00 1.71 C ATOM 1555 C ILE A 95 14.954 -14.391 -7.837 1.00 1.75 C ATOM 1556 O ILE A 95 15.827 -15.196 -8.151 1.00 1.95 O ATOM 1557 CB ILE A 95 13.242 -14.824 -9.702 1.00 1.70 C ATOM 1558 CG1 ILE A 95 13.813 -16.116 -10.306 1.00 2.23 C ATOM 1559 CG2 ILE A 95 13.778 -13.581 -10.431 1.00 2.31 C ATOM 1560 CD1 ILE A 95 13.226 -16.359 -11.698 1.00 2.28 C ATOM 0 H ILE A 95 11.978 -13.299 -8.227 1.00 1.61 H new ATOM 0 HA ILE A 95 13.415 -15.701 -7.727 1.00 1.71 H new ATOM 0 HB ILE A 95 12.162 -14.868 -9.843 1.00 1.70 H new ATOM 0 HG12 ILE A 95 14.899 -16.046 -10.369 1.00 2.23 H new ATOM 0 HG13 ILE A 95 13.585 -16.961 -9.656 1.00 2.23 H new ATOM 0 HG21 ILE A 95 13.584 -13.674 -11.500 1.00 2.31 H new ATOM 0 HG22 ILE A 95 13.279 -12.691 -10.048 1.00 2.31 H new ATOM 0 HG23 ILE A 95 14.852 -13.495 -10.263 1.00 2.31 H new ATOM 0 HD11 ILE A 95 13.641 -17.278 -12.112 1.00 2.28 H new ATOM 0 HD12 ILE A 95 12.142 -16.450 -11.625 1.00 2.28 H new ATOM 0 HD13 ILE A 95 13.476 -15.522 -12.350 1.00 2.28 H new ATOM 1572 N ARG A 96 15.256 -13.222 -7.271 1.00 1.69 N ATOM 1573 CA ARG A 96 16.507 -13.075 -6.533 1.00 1.71 C ATOM 1574 C ARG A 96 17.756 -13.161 -7.402 1.00 2.01 C ATOM 1575 O ARG A 96 18.652 -13.962 -7.161 1.00 3.08 O ATOM 1576 CB ARG A 96 16.463 -13.926 -5.252 1.00 1.71 C ATOM 1577 CG ARG A 96 16.774 -15.434 -5.177 1.00 2.93 C ATOM 1578 CD ARG A 96 18.255 -15.772 -4.948 1.00 3.89 C ATOM 1579 NE ARG A 96 18.761 -16.664 -6.006 1.00 5.52 N ATOM 1580 CZ ARG A 96 18.573 -17.989 -6.078 1.00 7.19 C ATOM 1581 NH1 ARG A 96 17.892 -18.613 -5.110 1.00 7.68 N ATOM 1582 NH2 ARG A 96 19.050 -18.689 -7.109 1.00 8.85 N ATOM 0 H ARG A 96 14.671 -12.387 -7.307 1.00 1.69 H new ATOM 0 HA ARG A 96 16.602 -12.048 -6.181 1.00 1.71 H new ATOM 0 HB2 ARG A 96 17.145 -13.445 -4.551 1.00 1.71 H new ATOM 0 HB3 ARG A 96 15.457 -13.808 -4.850 1.00 1.71 H new ATOM 0 HG2 ARG A 96 16.186 -15.873 -4.371 1.00 2.93 H new ATOM 0 HG3 ARG A 96 16.447 -15.905 -6.104 1.00 2.93 H new ATOM 0 HD2 ARG A 96 18.843 -14.854 -4.929 1.00 3.89 H new ATOM 0 HD3 ARG A 96 18.377 -16.249 -3.976 1.00 3.89 H new ATOM 0 HE ARG A 96 19.305 -16.233 -6.753 1.00 5.52 H new ATOM 0 HH11 ARG A 96 17.520 -18.080 -4.324 1.00 7.68 H new ATOM 0 HH12 ARG A 96 17.745 -19.621 -5.158 1.00 7.68 H new ATOM 0 HH21 ARG A 96 19.564 -18.216 -7.853 1.00 8.85 H new ATOM 0 HH22 ARG A 96 18.901 -19.697 -7.154 1.00 8.85 H new ATOM 1681 N GLU B 4 12.515 -14.863 -1.502 1.00 2.05 N ATOM 1682 CA GLU B 4 13.770 -14.137 -1.438 1.00 1.60 C ATOM 1683 C GLU B 4 13.965 -13.317 -0.151 1.00 1.50 C ATOM 1684 O GLU B 4 13.034 -13.290 0.659 1.00 2.01 O ATOM 1685 CB GLU B 4 14.306 -13.629 -2.794 1.00 1.80 C ATOM 1686 CG GLU B 4 13.993 -12.127 -3.105 1.00 2.30 C ATOM 1687 CD GLU B 4 14.882 -11.460 -4.148 1.00 3.01 C ATOM 1688 OE1 GLU B 4 16.035 -11.145 -3.791 1.00 3.74 O ATOM 1689 OE2 GLU B 4 14.411 -11.264 -5.290 1.00 3.69 O ATOM 0 HA GLU B 4 14.560 -14.868 -1.265 1.00 1.60 H new ATOM 0 HB2 GLU B 4 15.386 -13.773 -2.818 1.00 1.80 H new ATOM 0 HB3 GLU B 4 13.885 -14.245 -3.589 1.00 1.80 H new ATOM 0 HG2 GLU B 4 12.958 -12.054 -3.439 1.00 2.30 H new ATOM 0 HG3 GLU B 4 14.069 -11.561 -2.177 1.00 2.30 H new ATOM 1696 N PRO B 5 15.116 -12.690 0.146 1.00 1.51 N ATOM 1697 CA PRO B 5 15.320 -12.075 1.458 1.00 1.70 C ATOM 1698 C PRO B 5 14.520 -10.770 1.646 1.00 1.60 C ATOM 1699 O PRO B 5 14.928 -9.897 2.409 1.00 1.72 O ATOM 1700 CB PRO B 5 16.839 -11.896 1.583 1.00 2.30 C ATOM 1701 CG PRO B 5 17.307 -11.761 0.135 1.00 2.38 C ATOM 1702 CD PRO B 5 16.338 -12.652 -0.642 1.00 1.80 C ATOM 0 HA PRO B 5 14.936 -12.704 2.261 1.00 1.70 H new ATOM 0 HB2 PRO B 5 17.091 -11.013 2.170 1.00 2.30 H new ATOM 0 HB3 PRO B 5 17.304 -12.750 2.076 1.00 2.30 H new ATOM 0 HG2 PRO B 5 17.261 -10.727 -0.206 1.00 2.38 H new ATOM 0 HG3 PRO B 5 18.339 -12.091 0.015 1.00 2.38 H new ATOM 0 HD2 PRO B 5 16.149 -12.250 -1.637 1.00 1.80 H new ATOM 0 HD3 PRO B 5 16.748 -13.653 -0.776 1.00 1.80 H new ATOM 1710 N LEU B 6 13.359 -10.657 0.994 1.00 1.68 N ATOM 1711 CA LEU B 6 12.384 -9.602 1.150 1.00 1.68 C ATOM 1712 C LEU B 6 11.517 -9.945 2.361 1.00 1.43 C ATOM 1713 O LEU B 6 11.737 -10.956 3.031 1.00 1.62 O ATOM 1714 CB LEU B 6 11.595 -9.439 -0.167 1.00 1.95 C ATOM 1715 CG LEU B 6 10.335 -10.305 -0.385 1.00 1.74 C ATOM 1716 CD1 LEU B 6 9.832 -10.097 -1.820 1.00 3.14 C ATOM 1717 CD2 LEU B 6 10.544 -11.807 -0.210 1.00 2.20 C ATOM 0 H LEU B 6 13.068 -11.349 0.303 1.00 1.68 H new ATOM 0 HA LEU B 6 12.845 -8.633 1.342 1.00 1.68 H new ATOM 0 HB2 LEU B 6 11.296 -8.394 -0.247 1.00 1.95 H new ATOM 0 HB3 LEU B 6 12.281 -9.638 -0.991 1.00 1.95 H new ATOM 0 HG LEU B 6 9.630 -9.981 0.381 1.00 1.74 H new ATOM 0 HD11 LEU B 6 8.942 -10.704 -1.985 1.00 3.14 H new ATOM 0 HD12 LEU B 6 9.587 -9.046 -1.971 1.00 3.14 H new ATOM 0 HD13 LEU B 6 10.609 -10.393 -2.525 1.00 3.14 H new ATOM 0 HD21 LEU B 6 9.602 -12.328 -0.384 1.00 2.20 H new ATOM 0 HD22 LEU B 6 11.289 -12.156 -0.925 1.00 2.20 H new ATOM 0 HD23 LEU B 6 10.890 -12.011 0.803 1.00 2.20 H new ATOM 1729 N THR B 7 10.576 -9.080 2.722 1.00 1.34 N ATOM 1730 CA THR B 7 9.752 -9.283 3.905 1.00 1.39 C ATOM 1731 C THR B 7 8.357 -8.722 3.634 1.00 1.39 C ATOM 1732 O THR B 7 8.093 -8.185 2.560 1.00 1.49 O ATOM 1733 CB THR B 7 10.510 -8.709 5.117 1.00 1.26 C ATOM 1734 OG1 THR B 7 11.547 -9.608 5.460 1.00 1.67 O ATOM 1735 CG2 THR B 7 9.705 -8.469 6.399 1.00 1.55 C ATOM 0 H THR B 7 10.365 -8.225 2.207 1.00 1.34 H new ATOM 0 HA THR B 7 9.579 -10.332 4.147 1.00 1.39 H new ATOM 0 HB THR B 7 10.838 -7.726 4.780 1.00 1.26 H new ATOM 0 HG1 THR B 7 11.706 -10.224 4.715 1.00 1.67 H new ATOM 0 HG21 THR B 7 10.361 -8.064 7.170 1.00 1.55 H new ATOM 0 HG22 THR B 7 8.902 -7.760 6.197 1.00 1.55 H new ATOM 0 HG23 THR B 7 9.279 -9.412 6.743 1.00 1.55 H new ATOM 1743 N GLU B 8 7.448 -8.921 4.584 1.00 1.45 N ATOM 1744 CA GLU B 8 6.010 -8.937 4.392 1.00 1.70 C ATOM 1745 C GLU B 8 5.451 -7.628 3.811 1.00 1.67 C ATOM 1746 O GLU B 8 4.435 -7.639 3.118 1.00 1.75 O ATOM 1747 CB GLU B 8 5.345 -9.443 5.688 1.00 2.11 C ATOM 1748 CG GLU B 8 6.128 -10.677 6.202 1.00 2.44 C ATOM 1749 CD GLU B 8 5.315 -11.671 7.017 1.00 3.30 C ATOM 1750 OE1 GLU B 8 4.252 -11.281 7.536 1.00 3.98 O ATOM 1751 OE2 GLU B 8 5.807 -12.820 7.109 1.00 4.22 O ATOM 0 H GLU B 8 7.713 -9.083 5.556 1.00 1.45 H new ATOM 0 HA GLU B 8 5.750 -9.644 3.604 1.00 1.70 H new ATOM 0 HB2 GLU B 8 5.342 -8.657 6.443 1.00 2.11 H new ATOM 0 HB3 GLU B 8 4.305 -9.708 5.500 1.00 2.11 H new ATOM 0 HG2 GLU B 8 6.555 -11.198 5.345 1.00 2.44 H new ATOM 0 HG3 GLU B 8 6.962 -10.329 6.811 1.00 2.44 H new ATOM 1758 N LEU B 9 6.147 -6.502 3.999 1.00 1.66 N ATOM 1759 CA LEU B 9 5.802 -5.268 3.306 1.00 1.75 C ATOM 1760 C LEU B 9 5.999 -5.462 1.796 1.00 1.69 C ATOM 1761 O LEU B 9 5.089 -5.208 1.005 1.00 1.87 O ATOM 1762 CB LEU B 9 6.640 -4.088 3.827 1.00 1.76 C ATOM 1763 CG LEU B 9 6.372 -3.640 5.280 1.00 1.91 C ATOM 1764 CD1 LEU B 9 4.879 -3.439 5.569 1.00 3.05 C ATOM 1765 CD2 LEU B 9 7.000 -4.552 6.342 1.00 2.28 C ATOM 0 H LEU B 9 6.949 -6.425 4.624 1.00 1.66 H new ATOM 0 HA LEU B 9 4.756 -5.031 3.501 1.00 1.75 H new ATOM 0 HB2 LEU B 9 7.694 -4.354 3.741 1.00 1.76 H new ATOM 0 HB3 LEU B 9 6.472 -3.234 3.170 1.00 1.76 H new ATOM 0 HG LEU B 9 6.872 -2.675 5.358 1.00 1.91 H new ATOM 0 HD11 LEU B 9 4.748 -3.124 6.604 1.00 3.05 H new ATOM 0 HD12 LEU B 9 4.479 -2.673 4.904 1.00 3.05 H new ATOM 0 HD13 LEU B 9 4.347 -4.376 5.404 1.00 3.05 H new ATOM 0 HD21 LEU B 9 6.766 -4.169 7.335 1.00 2.28 H new ATOM 0 HD22 LEU B 9 6.600 -5.560 6.238 1.00 2.28 H new ATOM 0 HD23 LEU B 9 8.081 -4.575 6.208 1.00 2.28 H new ATOM 1777 N GLU B 10 7.172 -5.957 1.393 1.00 1.51 N ATOM 1778 CA GLU B 10 7.475 -6.280 0.005 1.00 1.46 C ATOM 1779 C GLU B 10 6.484 -7.315 -0.513 1.00 1.52 C ATOM 1780 O GLU B 10 5.950 -7.185 -1.616 1.00 1.62 O ATOM 1781 CB GLU B 10 8.912 -6.800 -0.134 1.00 1.29 C ATOM 1782 CG GLU B 10 9.666 -6.103 -1.270 1.00 1.46 C ATOM 1783 CD GLU B 10 8.911 -6.075 -2.592 1.00 2.24 C ATOM 1784 OE1 GLU B 10 8.937 -7.070 -3.349 1.00 3.16 O ATOM 1785 OE2 GLU B 10 8.271 -5.042 -2.879 1.00 3.07 O ATOM 0 H GLU B 10 7.944 -6.145 2.032 1.00 1.51 H new ATOM 0 HA GLU B 10 7.386 -5.371 -0.591 1.00 1.46 H new ATOM 0 HB2 GLU B 10 9.446 -6.646 0.804 1.00 1.29 H new ATOM 0 HB3 GLU B 10 8.893 -7.874 -0.317 1.00 1.29 H new ATOM 0 HG2 GLU B 10 9.889 -5.079 -0.969 1.00 1.46 H new ATOM 0 HG3 GLU B 10 10.621 -6.606 -1.420 1.00 1.46 H new ATOM 1792 N GLU B 11 6.217 -8.330 0.316 1.00 1.49 N ATOM 1793 CA GLU B 11 5.200 -9.315 -0.014 1.00 1.56 C ATOM 1794 C GLU B 11 3.882 -8.598 -0.349 1.00 1.53 C ATOM 1795 O GLU B 11 3.253 -8.874 -1.369 1.00 1.70 O ATOM 1796 CB GLU B 11 5.042 -10.345 1.110 1.00 1.48 C ATOM 1797 CG GLU B 11 4.385 -11.645 0.614 1.00 2.23 C ATOM 1798 CD GLU B 11 5.284 -12.854 0.836 1.00 2.44 C ATOM 1799 OE1 GLU B 11 5.470 -13.214 2.016 1.00 2.73 O ATOM 1800 OE2 GLU B 11 5.793 -13.384 -0.178 1.00 3.29 O ATOM 0 H GLU B 11 6.688 -8.484 1.208 1.00 1.49 H new ATOM 0 HA GLU B 11 5.510 -9.876 -0.896 1.00 1.56 H new ATOM 0 HB2 GLU B 11 6.020 -10.572 1.533 1.00 1.48 H new ATOM 0 HB3 GLU B 11 4.439 -9.917 1.911 1.00 1.48 H new ATOM 0 HG2 GLU B 11 3.439 -11.795 1.134 1.00 2.23 H new ATOM 0 HG3 GLU B 11 4.154 -11.554 -0.447 1.00 2.23 H new ATOM 1807 N SER B 12 3.494 -7.604 0.458 1.00 1.41 N ATOM 1808 CA SER B 12 2.245 -6.899 0.218 1.00 1.42 C ATOM 1809 C SER B 12 2.333 -6.150 -1.108 1.00 1.25 C ATOM 1810 O SER B 12 1.386 -6.130 -1.892 1.00 1.34 O ATOM 1811 CB SER B 12 1.931 -5.929 1.357 1.00 1.46 C ATOM 1812 OG SER B 12 1.918 -6.595 2.604 1.00 1.88 O ATOM 0 H SER B 12 4.022 -7.279 1.268 1.00 1.41 H new ATOM 0 HA SER B 12 1.436 -7.628 0.171 1.00 1.42 H new ATOM 0 HB2 SER B 12 2.674 -5.132 1.375 1.00 1.46 H new ATOM 0 HB3 SER B 12 0.963 -5.459 1.182 1.00 1.46 H new ATOM 0 HG SER B 12 2.818 -6.925 2.808 1.00 1.88 H new ATOM 1818 N ILE B 13 3.485 -5.526 -1.364 1.00 1.08 N ATOM 1819 CA ILE B 13 3.694 -4.801 -2.600 1.00 1.01 C ATOM 1820 C ILE B 13 3.493 -5.722 -3.803 1.00 1.06 C ATOM 1821 O ILE B 13 2.751 -5.357 -4.719 1.00 1.07 O ATOM 1822 CB ILE B 13 5.060 -4.092 -2.599 1.00 0.94 C ATOM 1823 CG1 ILE B 13 5.041 -2.931 -1.598 1.00 1.16 C ATOM 1824 CG2 ILE B 13 5.481 -3.511 -3.960 1.00 0.91 C ATOM 1825 CD1 ILE B 13 6.410 -2.715 -0.975 1.00 0.89 C ATOM 0 H ILE B 13 4.281 -5.513 -0.727 1.00 1.08 H new ATOM 0 HA ILE B 13 2.945 -4.014 -2.682 1.00 1.01 H new ATOM 0 HB ILE B 13 5.779 -4.866 -2.332 1.00 0.94 H new ATOM 0 HG12 ILE B 13 4.721 -2.019 -2.102 1.00 1.16 H new ATOM 0 HG13 ILE B 13 4.311 -3.136 -0.815 1.00 1.16 H new ATOM 0 HG21 ILE B 13 6.455 -3.031 -3.865 1.00 0.91 H new ATOM 0 HG22 ILE B 13 5.542 -4.314 -4.695 1.00 0.91 H new ATOM 0 HG23 ILE B 13 4.744 -2.777 -4.286 1.00 0.91 H new ATOM 0 HD11 ILE B 13 6.362 -1.885 -0.270 1.00 0.89 H new ATOM 0 HD12 ILE B 13 6.718 -3.619 -0.450 1.00 0.89 H new ATOM 0 HD13 ILE B 13 7.134 -2.486 -1.757 1.00 0.89 H new ATOM 1837 N GLU B 14 4.139 -6.900 -3.826 1.00 1.19 N ATOM 1838 CA GLU B 14 3.903 -7.831 -4.927 1.00 1.37 C ATOM 1839 C GLU B 14 2.419 -8.189 -5.033 1.00 1.35 C ATOM 1840 O GLU B 14 1.889 -8.240 -6.140 1.00 1.43 O ATOM 1841 CB GLU B 14 4.803 -9.067 -4.931 1.00 1.71 C ATOM 1842 CG GLU B 14 4.594 -10.042 -3.785 1.00 1.91 C ATOM 1843 CD GLU B 14 5.280 -11.366 -4.048 1.00 2.20 C ATOM 1844 OE1 GLU B 14 6.519 -11.425 -3.894 1.00 2.59 O ATOM 1845 OE2 GLU B 14 4.580 -12.376 -4.298 1.00 3.25 O ATOM 0 H GLU B 14 4.804 -7.217 -3.120 1.00 1.19 H new ATOM 0 HA GLU B 14 4.194 -7.294 -5.830 1.00 1.37 H new ATOM 0 HB2 GLU B 14 4.651 -9.601 -5.869 1.00 1.71 H new ATOM 0 HB3 GLU B 14 5.842 -8.737 -4.917 1.00 1.71 H new ATOM 0 HG2 GLU B 14 4.980 -9.608 -2.863 1.00 1.91 H new ATOM 0 HG3 GLU B 14 3.527 -10.207 -3.637 1.00 1.91 H new ATOM 1852 N THR B 15 1.751 -8.409 -3.898 1.00 1.29 N ATOM 1853 CA THR B 15 0.329 -8.723 -3.864 1.00 1.30 C ATOM 1854 C THR B 15 -0.471 -7.618 -4.551 1.00 1.19 C ATOM 1855 O THR B 15 -1.293 -7.919 -5.411 1.00 1.27 O ATOM 1856 CB THR B 15 -0.169 -8.981 -2.433 1.00 1.32 C ATOM 1857 OG1 THR B 15 0.682 -9.901 -1.789 1.00 1.38 O ATOM 1858 CG2 THR B 15 -1.591 -9.552 -2.421 1.00 1.39 C ATOM 0 H THR B 15 2.187 -8.373 -2.976 1.00 1.29 H new ATOM 0 HA THR B 15 0.174 -9.651 -4.415 1.00 1.30 H new ATOM 0 HB THR B 15 -0.169 -8.023 -1.912 1.00 1.32 H new ATOM 0 HG1 THR B 15 1.523 -9.458 -1.552 1.00 1.38 H new ATOM 0 HG21 THR B 15 -1.907 -9.721 -1.391 1.00 1.39 H new ATOM 0 HG22 THR B 15 -2.271 -8.846 -2.898 1.00 1.39 H new ATOM 0 HG23 THR B 15 -1.608 -10.496 -2.965 1.00 1.39 H new ATOM 1866 N VAL B 16 -0.237 -6.344 -4.227 1.00 1.06 N ATOM 1867 CA VAL B 16 -0.960 -5.267 -4.876 1.00 0.99 C ATOM 1868 C VAL B 16 -0.736 -5.302 -6.390 1.00 1.10 C ATOM 1869 O VAL B 16 -1.695 -5.387 -7.157 1.00 1.13 O ATOM 1870 CB VAL B 16 -0.564 -3.910 -4.279 1.00 0.88 C ATOM 1871 CG1 VAL B 16 -1.196 -2.816 -5.140 1.00 0.90 C ATOM 1872 CG2 VAL B 16 -1.057 -3.767 -2.835 1.00 0.92 C ATOM 0 H VAL B 16 0.441 -6.043 -3.527 1.00 1.06 H new ATOM 0 HA VAL B 16 -2.026 -5.407 -4.696 1.00 0.99 H new ATOM 0 HB VAL B 16 0.523 -3.827 -4.268 1.00 0.88 H new ATOM 0 HG11 VAL B 16 -0.931 -1.838 -4.738 1.00 0.90 H new ATOM 0 HG12 VAL B 16 -0.828 -2.900 -6.163 1.00 0.90 H new ATOM 0 HG13 VAL B 16 -2.280 -2.929 -5.134 1.00 0.90 H new ATOM 0 HG21 VAL B 16 -0.759 -2.794 -2.443 1.00 0.92 H new ATOM 0 HG22 VAL B 16 -2.144 -3.850 -2.812 1.00 0.92 H new ATOM 0 HG23 VAL B 16 -0.619 -4.555 -2.221 1.00 0.92 H new ATOM 1882 N VAL B 17 0.520 -5.210 -6.835 1.00 1.21 N ATOM 1883 CA VAL B 17 0.799 -5.124 -8.268 1.00 1.39 C ATOM 1884 C VAL B 17 0.291 -6.371 -9.002 1.00 1.43 C ATOM 1885 O VAL B 17 -0.120 -6.285 -10.156 1.00 1.46 O ATOM 1886 CB VAL B 17 2.286 -4.855 -8.545 1.00 1.33 C ATOM 1887 CG1 VAL B 17 2.741 -3.544 -7.896 1.00 1.38 C ATOM 1888 CG2 VAL B 17 3.171 -6.002 -8.054 1.00 1.35 C ATOM 0 H VAL B 17 1.345 -5.193 -6.235 1.00 1.21 H new ATOM 0 HA VAL B 17 0.251 -4.268 -8.662 1.00 1.39 H new ATOM 0 HB VAL B 17 2.394 -4.774 -9.627 1.00 1.33 H new ATOM 0 HG11 VAL B 17 3.797 -3.380 -8.109 1.00 1.38 H new ATOM 0 HG12 VAL B 17 2.157 -2.717 -8.299 1.00 1.38 H new ATOM 0 HG13 VAL B 17 2.593 -3.601 -6.818 1.00 1.38 H new ATOM 0 HG21 VAL B 17 4.215 -5.773 -8.268 1.00 1.35 H new ATOM 0 HG22 VAL B 17 3.040 -6.128 -6.979 1.00 1.35 H new ATOM 0 HG23 VAL B 17 2.889 -6.923 -8.564 1.00 1.35 H new ATOM 1898 N THR B 18 0.326 -7.525 -8.332 1.00 1.44 N ATOM 1899 CA THR B 18 -0.281 -8.763 -8.793 1.00 1.46 C ATOM 1900 C THR B 18 -1.779 -8.592 -8.991 1.00 1.47 C ATOM 1901 O THR B 18 -2.297 -8.874 -10.067 1.00 1.60 O ATOM 1902 CB THR B 18 -0.009 -9.855 -7.754 1.00 1.55 C ATOM 1903 OG1 THR B 18 1.336 -10.250 -7.886 1.00 1.85 O ATOM 1904 CG2 THR B 18 -0.996 -11.018 -7.841 1.00 1.99 C ATOM 0 H THR B 18 0.792 -7.620 -7.430 1.00 1.44 H new ATOM 0 HA THR B 18 0.152 -9.042 -9.754 1.00 1.46 H new ATOM 0 HB THR B 18 -0.168 -9.457 -6.752 1.00 1.55 H new ATOM 0 HG1 THR B 18 1.902 -9.675 -7.330 1.00 1.85 H new ATOM 0 HG21 THR B 18 -0.752 -11.760 -7.080 1.00 1.99 H new ATOM 0 HG22 THR B 18 -2.008 -10.649 -7.677 1.00 1.99 H new ATOM 0 HG23 THR B 18 -0.932 -11.476 -8.828 1.00 1.99 H new ATOM 1912 N THR B 19 -2.466 -8.179 -7.927 1.00 1.33 N ATOM 1913 CA THR B 19 -3.915 -8.156 -7.805 1.00 1.24 C ATOM 1914 C THR B 19 -4.565 -7.457 -9.003 1.00 1.29 C ATOM 1915 O THR B 19 -5.662 -7.825 -9.417 1.00 1.34 O ATOM 1916 CB THR B 19 -4.238 -7.503 -6.462 1.00 1.23 C ATOM 1917 OG1 THR B 19 -3.936 -8.389 -5.411 1.00 1.29 O ATOM 1918 CG2 THR B 19 -5.691 -7.083 -6.298 1.00 1.27 C ATOM 0 H THR B 19 -2.000 -7.835 -7.087 1.00 1.33 H new ATOM 0 HA THR B 19 -4.333 -9.162 -7.820 1.00 1.24 H new ATOM 0 HB THR B 19 -3.627 -6.601 -6.434 1.00 1.23 H new ATOM 0 HG1 THR B 19 -2.964 -8.459 -5.312 1.00 1.29 H new ATOM 0 HG21 THR B 19 -5.830 -6.629 -5.317 1.00 1.27 H new ATOM 0 HG22 THR B 19 -5.950 -6.361 -7.072 1.00 1.27 H new ATOM 0 HG23 THR B 19 -6.335 -7.958 -6.388 1.00 1.27 H new ATOM 1926 N PHE B 20 -3.870 -6.468 -9.579 1.00 1.33 N ATOM 1927 CA PHE B 20 -4.249 -5.834 -10.841 1.00 1.40 C ATOM 1928 C PHE B 20 -4.724 -6.850 -11.900 1.00 1.70 C ATOM 1929 O PHE B 20 -5.689 -6.588 -12.611 1.00 1.88 O ATOM 1930 CB PHE B 20 -3.060 -5.059 -11.416 1.00 1.37 C ATOM 1931 CG PHE B 20 -2.609 -3.797 -10.703 1.00 1.16 C ATOM 1932 CD1 PHE B 20 -2.894 -3.551 -9.345 1.00 1.18 C ATOM 1933 CD2 PHE B 20 -1.835 -2.869 -11.422 1.00 2.55 C ATOM 1934 CE1 PHE B 20 -2.314 -2.455 -8.695 1.00 1.37 C ATOM 1935 CE2 PHE B 20 -1.386 -1.691 -10.804 1.00 2.65 C ATOM 1936 CZ PHE B 20 -1.593 -1.505 -9.427 1.00 1.46 C ATOM 0 H PHE B 20 -3.017 -6.083 -9.173 1.00 1.33 H new ATOM 0 HA PHE B 20 -5.079 -5.165 -10.614 1.00 1.40 H new ATOM 0 HB2 PHE B 20 -2.209 -5.739 -11.458 1.00 1.37 H new ATOM 0 HB3 PHE B 20 -3.304 -4.791 -12.444 1.00 1.37 H new ATOM 0 HD1 PHE B 20 -3.560 -4.208 -8.806 1.00 1.18 H new ATOM 0 HD2 PHE B 20 -1.585 -3.063 -12.454 1.00 2.55 H new ATOM 0 HE1 PHE B 20 -2.423 -2.343 -7.626 1.00 1.37 H new ATOM 0 HE2 PHE B 20 -0.884 -0.931 -11.385 1.00 2.65 H new ATOM 0 HZ PHE B 20 -1.196 -0.630 -8.934 1.00 1.46 H new ATOM 1946 N PHE B 21 -4.011 -7.974 -12.049 1.00 1.82 N ATOM 1947 CA PHE B 21 -4.329 -9.022 -13.018 1.00 2.11 C ATOM 1948 C PHE B 21 -5.700 -9.627 -12.717 1.00 2.21 C ATOM 1949 O PHE B 21 -6.613 -9.588 -13.539 1.00 2.54 O ATOM 1950 CB PHE B 21 -3.250 -10.125 -12.944 1.00 2.25 C ATOM 1951 CG PHE B 21 -3.642 -11.461 -13.544 1.00 3.21 C ATOM 1952 CD1 PHE B 21 -3.825 -11.586 -14.933 1.00 4.40 C ATOM 1953 CD2 PHE B 21 -3.879 -12.569 -12.706 1.00 3.93 C ATOM 1954 CE1 PHE B 21 -4.219 -12.818 -15.484 1.00 5.51 C ATOM 1955 CE2 PHE B 21 -4.311 -13.788 -13.254 1.00 5.32 C ATOM 1956 CZ PHE B 21 -4.459 -13.920 -14.645 1.00 5.84 C ATOM 0 H PHE B 21 -3.184 -8.181 -11.489 1.00 1.82 H new ATOM 0 HA PHE B 21 -4.350 -8.589 -14.018 1.00 2.11 H new ATOM 0 HB2 PHE B 21 -2.354 -9.767 -13.451 1.00 2.25 H new ATOM 0 HB3 PHE B 21 -2.984 -10.280 -11.898 1.00 2.25 H new ATOM 0 HD1 PHE B 21 -3.663 -10.734 -15.577 1.00 4.40 H new ATOM 0 HD2 PHE B 21 -3.728 -12.481 -11.640 1.00 3.93 H new ATOM 0 HE1 PHE B 21 -4.337 -12.918 -16.553 1.00 5.51 H new ATOM 0 HE2 PHE B 21 -4.529 -14.624 -12.606 1.00 5.32 H new ATOM 0 HZ PHE B 21 -4.757 -14.867 -15.069 1.00 5.84 H new ATOM 1966 N THR B 22 -5.812 -10.249 -11.547 1.00 2.01 N ATOM 1967 CA THR B 22 -7.006 -10.835 -10.969 1.00 2.17 C ATOM 1968 C THR B 22 -6.691 -10.909 -9.478 1.00 1.71 C ATOM 1969 O THR B 22 -5.521 -10.841 -9.096 1.00 2.24 O ATOM 1970 CB THR B 22 -7.291 -12.213 -11.603 1.00 3.46 C ATOM 1971 OG1 THR B 22 -7.713 -12.046 -12.942 1.00 5.22 O ATOM 1972 CG2 THR B 22 -8.392 -13.015 -10.902 1.00 4.02 C ATOM 0 H THR B 22 -5.004 -10.362 -10.935 1.00 2.01 H new ATOM 0 HA THR B 22 -7.913 -10.258 -11.149 1.00 2.17 H new ATOM 0 HB THR B 22 -6.353 -12.762 -11.514 1.00 3.46 H new ATOM 0 HG1 THR B 22 -7.424 -11.169 -13.269 1.00 5.22 H new ATOM 0 HG21 THR B 22 -8.528 -13.969 -11.411 1.00 4.02 H new ATOM 0 HG22 THR B 22 -8.107 -13.195 -9.865 1.00 4.02 H new ATOM 0 HG23 THR B 22 -9.325 -12.453 -10.930 1.00 4.02 H new ATOM 2097 N LYS B 30 -1.876 -6.180 -16.552 1.00 2.90 N ATOM 2098 CA LYS B 30 -1.746 -4.931 -17.287 1.00 2.66 C ATOM 2099 C LYS B 30 -1.368 -3.828 -16.294 1.00 2.12 C ATOM 2100 O LYS B 30 -0.209 -3.708 -15.904 1.00 2.59 O ATOM 2101 CB LYS B 30 -3.057 -4.632 -18.040 1.00 3.22 C ATOM 2102 CG LYS B 30 -3.196 -5.459 -19.324 1.00 4.37 C ATOM 2103 CD LYS B 30 -2.351 -4.933 -20.500 1.00 4.93 C ATOM 2104 CE LYS B 30 -2.756 -3.521 -20.971 1.00 4.49 C ATOM 2105 NZ LYS B 30 -1.894 -2.442 -20.432 1.00 5.01 N ATOM 0 HA LYS B 30 -0.961 -4.994 -18.040 1.00 2.66 H new ATOM 0 HB2 LYS B 30 -3.904 -4.838 -17.385 1.00 3.22 H new ATOM 0 HB3 LYS B 30 -3.096 -3.571 -18.288 1.00 3.22 H new ATOM 0 HG2 LYS B 30 -2.907 -6.489 -19.114 1.00 4.37 H new ATOM 0 HG3 LYS B 30 -4.244 -5.476 -19.622 1.00 4.37 H new ATOM 0 HD2 LYS B 30 -1.302 -4.921 -20.205 1.00 4.93 H new ATOM 0 HD3 LYS B 30 -2.439 -5.625 -21.337 1.00 4.93 H new ATOM 0 HE2 LYS B 30 -2.725 -3.488 -22.060 1.00 4.49 H new ATOM 0 HE3 LYS B 30 -3.788 -3.331 -20.675 1.00 4.49 H new ATOM 0 HZ1 LYS B 30 -2.274 -1.518 -20.720 1.00 5.01 H new ATOM 0 HZ2 LYS B 30 -1.874 -2.500 -19.394 1.00 5.01 H new ATOM 0 HZ3 LYS B 30 -0.929 -2.551 -20.804 1.00 5.01 H new ATOM 2119 N ASP B 31 -2.364 -3.042 -15.883 1.00 1.75 N ATOM 2120 CA ASP B 31 -2.227 -1.804 -15.139 1.00 1.54 C ATOM 2121 C ASP B 31 -3.454 -1.722 -14.228 1.00 1.66 C ATOM 2122 O ASP B 31 -4.059 -2.747 -13.914 1.00 2.55 O ATOM 2123 CB ASP B 31 -2.157 -0.604 -16.108 1.00 2.24 C ATOM 2124 CG ASP B 31 -1.064 -0.738 -17.160 1.00 3.06 C ATOM 2125 OD1 ASP B 31 -1.335 -1.420 -18.178 1.00 4.69 O ATOM 2126 OD2 ASP B 31 0.015 -0.147 -16.946 1.00 2.75 O ATOM 0 H ASP B 31 -3.339 -3.271 -16.075 1.00 1.75 H new ATOM 0 HA ASP B 31 -1.309 -1.780 -14.551 1.00 1.54 H new ATOM 0 HB2 ASP B 31 -3.120 -0.493 -16.607 1.00 2.24 H new ATOM 0 HB3 ASP B 31 -1.989 0.307 -15.534 1.00 2.24 H new ATOM 2131 N SER B 32 -3.827 -0.512 -13.824 1.00 1.07 N ATOM 2132 CA SER B 32 -4.997 -0.252 -13.006 1.00 1.16 C ATOM 2133 C SER B 32 -6.236 0.002 -13.886 1.00 1.18 C ATOM 2134 O SER B 32 -6.183 -0.181 -15.100 1.00 1.34 O ATOM 2135 CB SER B 32 -4.658 0.935 -12.109 1.00 1.17 C ATOM 2136 OG SER B 32 -3.403 0.745 -11.477 1.00 2.07 O ATOM 0 H SER B 32 -3.309 0.333 -14.064 1.00 1.07 H new ATOM 0 HA SER B 32 -5.250 -1.114 -12.389 1.00 1.16 H new ATOM 0 HB2 SER B 32 -4.638 1.850 -12.701 1.00 1.17 H new ATOM 0 HB3 SER B 32 -5.435 1.061 -11.355 1.00 1.17 H new ATOM 0 HG SER B 32 -3.209 -0.214 -11.417 1.00 2.07 H new ATOM 2142 N LEU B 33 -7.352 0.403 -13.265 1.00 1.12 N ATOM 2143 CA LEU B 33 -8.652 0.577 -13.906 1.00 1.13 C ATOM 2144 C LEU B 33 -8.860 2.066 -14.232 1.00 1.09 C ATOM 2145 O LEU B 33 -7.894 2.824 -14.331 1.00 1.10 O ATOM 2146 CB LEU B 33 -9.747 0.040 -12.957 1.00 1.17 C ATOM 2147 CG LEU B 33 -9.673 -1.443 -12.562 1.00 1.34 C ATOM 2148 CD1 LEU B 33 -9.595 -2.372 -13.779 1.00 2.04 C ATOM 2149 CD2 LEU B 33 -8.541 -1.731 -11.578 1.00 1.19 C ATOM 0 H LEU B 33 -7.371 0.621 -12.269 1.00 1.12 H new ATOM 0 HA LEU B 33 -8.704 0.020 -14.841 1.00 1.13 H new ATOM 0 HB2 LEU B 33 -9.722 0.634 -12.043 1.00 1.17 H new ATOM 0 HB3 LEU B 33 -10.715 0.216 -13.426 1.00 1.17 H new ATOM 0 HG LEU B 33 -10.611 -1.658 -12.049 1.00 1.34 H new ATOM 0 HD11 LEU B 33 -9.545 -3.408 -13.443 1.00 2.04 H new ATOM 0 HD12 LEU B 33 -10.481 -2.234 -14.399 1.00 2.04 H new ATOM 0 HD13 LEU B 33 -8.704 -2.135 -14.361 1.00 2.04 H new ATOM 0 HD21 LEU B 33 -8.534 -2.793 -11.332 1.00 1.19 H new ATOM 0 HD22 LEU B 33 -7.588 -1.457 -12.030 1.00 1.19 H new ATOM 0 HD23 LEU B 33 -8.692 -1.149 -10.669 1.00 1.19 H new ATOM 2161 N SER B 34 -10.112 2.514 -14.355 1.00 1.11 N ATOM 2162 CA SER B 34 -10.413 3.940 -14.370 1.00 1.05 C ATOM 2163 C SER B 34 -10.408 4.441 -12.923 1.00 0.89 C ATOM 2164 O SER B 34 -10.648 3.669 -11.992 1.00 0.91 O ATOM 2165 CB SER B 34 -11.749 4.216 -15.072 1.00 1.28 C ATOM 2166 OG SER B 34 -11.969 3.297 -16.123 1.00 1.65 O ATOM 0 H SER B 34 -10.928 1.909 -14.445 1.00 1.11 H new ATOM 0 HA SER B 34 -9.656 4.480 -14.940 1.00 1.05 H new ATOM 0 HB2 SER B 34 -12.563 4.150 -14.350 1.00 1.28 H new ATOM 0 HB3 SER B 34 -11.754 5.232 -15.466 1.00 1.28 H new ATOM 0 HG SER B 34 -12.311 2.455 -15.755 1.00 1.65 H new ATOM 2172 N VAL B 35 -10.131 5.728 -12.704 1.00 0.84 N ATOM 2173 CA VAL B 35 -9.942 6.231 -11.350 1.00 0.80 C ATOM 2174 C VAL B 35 -11.254 6.134 -10.557 1.00 0.87 C ATOM 2175 O VAL B 35 -11.278 5.597 -9.451 1.00 0.84 O ATOM 2176 CB VAL B 35 -9.388 7.662 -11.388 1.00 0.92 C ATOM 2177 CG1 VAL B 35 -8.922 8.093 -9.998 1.00 1.03 C ATOM 2178 CG2 VAL B 35 -8.183 7.830 -12.321 1.00 0.89 C ATOM 0 H VAL B 35 -10.034 6.429 -13.438 1.00 0.84 H new ATOM 0 HA VAL B 35 -9.207 5.613 -10.833 1.00 0.80 H new ATOM 0 HB VAL B 35 -10.212 8.273 -11.756 1.00 0.92 H new ATOM 0 HG11 VAL B 35 -8.532 9.110 -10.044 1.00 1.03 H new ATOM 0 HG12 VAL B 35 -9.763 8.058 -9.305 1.00 1.03 H new ATOM 0 HG13 VAL B 35 -8.138 7.419 -9.652 1.00 1.03 H new ATOM 0 HG21 VAL B 35 -7.846 8.866 -12.297 1.00 0.89 H new ATOM 0 HG22 VAL B 35 -7.374 7.177 -11.992 1.00 0.89 H new ATOM 0 HG23 VAL B 35 -8.471 7.566 -13.339 1.00 0.89 H new ATOM 2188 N ASN B 36 -12.351 6.651 -11.123 1.00 1.00 N ATOM 2189 CA ASN B 36 -13.643 6.678 -10.435 1.00 1.22 C ATOM 2190 C ASN B 36 -14.106 5.251 -10.151 1.00 1.23 C ATOM 2191 O ASN B 36 -14.345 4.874 -9.007 1.00 1.25 O ATOM 2192 CB ASN B 36 -14.701 7.442 -11.255 1.00 1.48 C ATOM 2193 CG ASN B 36 -15.502 8.407 -10.382 1.00 2.70 C ATOM 2194 OD1 ASN B 36 -15.699 8.175 -9.193 1.00 3.77 O ATOM 2195 ND2 ASN B 36 -15.957 9.518 -10.955 1.00 2.95 N ATOM 0 H ASN B 36 -12.367 7.057 -12.059 1.00 1.00 H new ATOM 0 HA ASN B 36 -13.519 7.207 -9.490 1.00 1.22 H new ATOM 0 HB2 ASN B 36 -14.211 7.996 -12.055 1.00 1.48 H new ATOM 0 HB3 ASN B 36 -15.378 6.731 -11.728 1.00 1.48 H new ATOM 0 HD21 ASN B 36 -16.481 10.198 -10.404 1.00 2.95 H new ATOM 0 HD22 ASN B 36 -15.781 9.690 -11.945 1.00 2.95 H new ATOM 2202 N GLU B 37 -14.159 4.453 -11.222 1.00 1.29 N ATOM 2203 CA GLU B 37 -14.404 3.017 -11.202 1.00 1.34 C ATOM 2204 C GLU B 37 -13.670 2.390 -10.016 1.00 1.18 C ATOM 2205 O GLU B 37 -14.284 1.776 -9.145 1.00 1.23 O ATOM 2206 CB GLU B 37 -13.902 2.460 -12.541 1.00 1.44 C ATOM 2207 CG GLU B 37 -14.014 0.942 -12.717 1.00 1.39 C ATOM 2208 CD GLU B 37 -13.371 0.490 -14.026 1.00 1.94 C ATOM 2209 OE1 GLU B 37 -12.533 1.260 -14.554 1.00 2.69 O ATOM 2210 OE2 GLU B 37 -13.708 -0.629 -14.462 1.00 2.69 O ATOM 0 H GLU B 37 -14.025 4.812 -12.167 1.00 1.29 H new ATOM 0 HA GLU B 37 -15.462 2.786 -11.082 1.00 1.34 H new ATOM 0 HB2 GLU B 37 -14.459 2.942 -13.345 1.00 1.44 H new ATOM 0 HB3 GLU B 37 -12.857 2.744 -12.662 1.00 1.44 H new ATOM 0 HG2 GLU B 37 -13.531 0.439 -11.879 1.00 1.39 H new ATOM 0 HG3 GLU B 37 -15.063 0.648 -12.704 1.00 1.39 H new ATOM 2217 N PHE B 38 -12.351 2.584 -9.955 1.00 1.02 N ATOM 2218 CA PHE B 38 -11.547 2.029 -8.887 1.00 0.83 C ATOM 2219 C PHE B 38 -11.968 2.493 -7.488 1.00 0.79 C ATOM 2220 O PHE B 38 -11.923 1.677 -6.570 1.00 0.82 O ATOM 2221 CB PHE B 38 -10.070 2.309 -9.134 1.00 0.65 C ATOM 2222 CG PHE B 38 -9.164 1.607 -8.143 1.00 1.13 C ATOM 2223 CD1 PHE B 38 -9.061 0.204 -8.143 1.00 3.13 C ATOM 2224 CD2 PHE B 38 -8.458 2.353 -7.188 1.00 1.49 C ATOM 2225 CE1 PHE B 38 -8.242 -0.439 -7.199 1.00 3.90 C ATOM 2226 CE2 PHE B 38 -7.542 1.723 -6.333 1.00 1.83 C ATOM 2227 CZ PHE B 38 -7.461 0.324 -6.313 1.00 2.79 C ATOM 0 H PHE B 38 -11.824 3.125 -10.640 1.00 1.02 H new ATOM 0 HA PHE B 38 -11.719 0.953 -8.903 1.00 0.83 H new ATOM 0 HB2 PHE B 38 -9.809 1.993 -10.144 1.00 0.65 H new ATOM 0 HB3 PHE B 38 -9.895 3.384 -9.081 1.00 0.65 H new ATOM 0 HD1 PHE B 38 -9.611 -0.378 -8.868 1.00 3.13 H new ATOM 0 HD2 PHE B 38 -8.621 3.418 -7.111 1.00 1.49 H new ATOM 0 HE1 PHE B 38 -8.213 -1.518 -7.154 1.00 3.90 H new ATOM 0 HE2 PHE B 38 -6.902 2.313 -5.693 1.00 1.83 H new ATOM 0 HZ PHE B 38 -6.798 -0.168 -5.617 1.00 2.79 H new ATOM 2237 N LYS B 39 -12.390 3.756 -7.293 1.00 0.84 N ATOM 2238 CA LYS B 39 -12.820 4.228 -5.971 1.00 0.94 C ATOM 2239 C LYS B 39 -13.891 3.249 -5.476 1.00 1.05 C ATOM 2240 O LYS B 39 -13.908 2.809 -4.325 1.00 1.10 O ATOM 2241 CB LYS B 39 -13.365 5.672 -6.049 1.00 1.04 C ATOM 2242 CG LYS B 39 -13.787 6.202 -4.665 1.00 1.32 C ATOM 2243 CD LYS B 39 -15.271 5.916 -4.375 1.00 1.87 C ATOM 2244 CE LYS B 39 -15.641 6.027 -2.889 1.00 3.04 C ATOM 2245 NZ LYS B 39 -16.814 5.181 -2.584 1.00 4.09 N ATOM 0 H LYS B 39 -12.441 4.460 -8.029 1.00 0.84 H new ATOM 0 HA LYS B 39 -11.981 4.256 -5.276 1.00 0.94 H new ATOM 0 HB2 LYS B 39 -12.602 6.326 -6.471 1.00 1.04 H new ATOM 0 HB3 LYS B 39 -14.219 5.702 -6.725 1.00 1.04 H new ATOM 0 HG2 LYS B 39 -13.170 5.740 -3.895 1.00 1.32 H new ATOM 0 HG3 LYS B 39 -13.607 7.276 -4.616 1.00 1.32 H new ATOM 0 HD2 LYS B 39 -15.885 6.612 -4.946 1.00 1.87 H new ATOM 0 HD3 LYS B 39 -15.514 4.914 -4.727 1.00 1.87 H new ATOM 0 HE2 LYS B 39 -14.795 5.722 -2.274 1.00 3.04 H new ATOM 0 HE3 LYS B 39 -15.859 7.065 -2.639 1.00 3.04 H new ATOM 0 HZ1 LYS B 39 -17.257 5.507 -1.702 1.00 4.09 H new ATOM 0 HZ2 LYS B 39 -17.501 5.247 -3.362 1.00 4.09 H new ATOM 0 HZ3 LYS B 39 -16.510 4.193 -2.474 1.00 4.09 H new ATOM 2259 N GLU B 40 -14.814 2.923 -6.375 1.00 1.13 N ATOM 2260 CA GLU B 40 -15.961 2.092 -6.084 1.00 1.26 C ATOM 2261 C GLU B 40 -15.554 0.619 -6.021 1.00 1.08 C ATOM 2262 O GLU B 40 -16.027 -0.113 -5.157 1.00 1.09 O ATOM 2263 CB GLU B 40 -17.037 2.406 -7.121 1.00 1.55 C ATOM 2264 CG GLU B 40 -17.468 3.874 -6.947 1.00 1.79 C ATOM 2265 CD GLU B 40 -18.406 4.043 -5.755 1.00 3.60 C ATOM 2266 OE1 GLU B 40 -19.441 3.344 -5.736 1.00 4.16 O ATOM 2267 OE2 GLU B 40 -18.048 4.824 -4.842 1.00 5.03 O ATOM 0 H GLU B 40 -14.778 3.239 -7.344 1.00 1.13 H new ATOM 0 HA GLU B 40 -16.377 2.306 -5.100 1.00 1.26 H new ATOM 0 HB2 GLU B 40 -16.653 2.241 -8.128 1.00 1.55 H new ATOM 0 HB3 GLU B 40 -17.892 1.742 -6.993 1.00 1.55 H new ATOM 0 HG2 GLU B 40 -16.586 4.500 -6.809 1.00 1.79 H new ATOM 0 HG3 GLU B 40 -17.965 4.219 -7.854 1.00 1.79 H new ATOM 2274 N LEU B 41 -14.631 0.183 -6.880 1.00 1.01 N ATOM 2275 CA LEU B 41 -14.085 -1.165 -6.806 1.00 0.93 C ATOM 2276 C LEU B 41 -13.514 -1.428 -5.408 1.00 0.76 C ATOM 2277 O LEU B 41 -13.838 -2.438 -4.786 1.00 0.74 O ATOM 2278 CB LEU B 41 -13.026 -1.379 -7.896 1.00 1.02 C ATOM 2279 CG LEU B 41 -12.648 -2.860 -8.066 1.00 1.40 C ATOM 2280 CD1 LEU B 41 -13.755 -3.657 -8.769 1.00 1.69 C ATOM 2281 CD2 LEU B 41 -11.356 -2.975 -8.880 1.00 2.88 C ATOM 0 H LEU B 41 -14.247 0.750 -7.636 1.00 1.01 H new ATOM 0 HA LEU B 41 -14.887 -1.882 -6.982 1.00 0.93 H new ATOM 0 HB2 LEU B 41 -13.401 -0.992 -8.843 1.00 1.02 H new ATOM 0 HB3 LEU B 41 -12.133 -0.805 -7.648 1.00 1.02 H new ATOM 0 HG LEU B 41 -12.508 -3.278 -7.069 1.00 1.40 H new ATOM 0 HD11 LEU B 41 -13.447 -4.698 -8.869 1.00 1.69 H new ATOM 0 HD12 LEU B 41 -14.671 -3.605 -8.180 1.00 1.69 H new ATOM 0 HD13 LEU B 41 -13.935 -3.236 -9.758 1.00 1.69 H new ATOM 0 HD21 LEU B 41 -11.092 -4.026 -8.998 1.00 2.88 H new ATOM 0 HD22 LEU B 41 -11.504 -2.526 -9.862 1.00 2.88 H new ATOM 0 HD23 LEU B 41 -10.551 -2.455 -8.360 1.00 2.88 H new ATOM 2293 N VAL B 42 -12.688 -0.516 -4.882 1.00 0.72 N ATOM 2294 CA VAL B 42 -12.151 -0.698 -3.537 1.00 0.66 C ATOM 2295 C VAL B 42 -13.277 -0.654 -2.495 1.00 0.75 C ATOM 2296 O VAL B 42 -13.324 -1.511 -1.615 1.00 0.79 O ATOM 2297 CB VAL B 42 -10.975 0.246 -3.240 1.00 0.63 C ATOM 2298 CG1 VAL B 42 -9.899 0.075 -4.311 1.00 1.45 C ATOM 2299 CG2 VAL B 42 -11.314 1.736 -3.151 1.00 1.62 C ATOM 0 H VAL B 42 -12.385 0.334 -5.357 1.00 0.72 H new ATOM 0 HA VAL B 42 -11.714 -1.695 -3.473 1.00 0.66 H new ATOM 0 HB VAL B 42 -10.639 -0.048 -2.246 1.00 0.63 H new ATOM 0 HG11 VAL B 42 -9.065 0.745 -4.100 1.00 1.45 H new ATOM 0 HG12 VAL B 42 -9.545 -0.956 -4.310 1.00 1.45 H new ATOM 0 HG13 VAL B 42 -10.318 0.314 -5.289 1.00 1.45 H new ATOM 0 HG21 VAL B 42 -10.408 2.303 -2.938 1.00 1.62 H new ATOM 0 HG22 VAL B 42 -11.737 2.070 -4.098 1.00 1.62 H new ATOM 0 HG23 VAL B 42 -12.039 1.897 -2.353 1.00 1.62 H new ATOM 2309 N THR B 43 -14.221 0.292 -2.627 1.00 0.87 N ATOM 2310 CA THR B 43 -15.418 0.333 -1.780 1.00 1.01 C ATOM 2311 C THR B 43 -16.070 -1.060 -1.713 1.00 1.01 C ATOM 2312 O THR B 43 -16.426 -1.534 -0.636 1.00 1.13 O ATOM 2313 CB THR B 43 -16.416 1.399 -2.286 1.00 1.19 C ATOM 2314 OG1 THR B 43 -15.806 2.675 -2.379 1.00 2.41 O ATOM 2315 CG2 THR B 43 -17.648 1.552 -1.393 1.00 2.03 C ATOM 0 H THR B 43 -14.175 1.042 -3.317 1.00 0.87 H new ATOM 0 HA THR B 43 -15.121 0.618 -0.771 1.00 1.01 H new ATOM 0 HB THR B 43 -16.729 1.039 -3.266 1.00 1.19 H new ATOM 0 HG1 THR B 43 -15.203 2.694 -3.151 1.00 2.41 H new ATOM 0 HG21 THR B 43 -18.305 2.316 -1.808 1.00 2.03 H new ATOM 0 HG22 THR B 43 -18.182 0.603 -1.343 1.00 2.03 H new ATOM 0 HG23 THR B 43 -17.337 1.846 -0.391 1.00 2.03 H new ATOM 2323 N GLN B 44 -16.219 -1.719 -2.865 1.00 1.00 N ATOM 2324 CA GLN B 44 -16.819 -3.041 -2.966 1.00 1.08 C ATOM 2325 C GLN B 44 -15.928 -4.108 -2.320 1.00 1.02 C ATOM 2326 O GLN B 44 -16.410 -4.902 -1.516 1.00 1.07 O ATOM 2327 CB GLN B 44 -17.097 -3.362 -4.441 1.00 1.18 C ATOM 2328 CG GLN B 44 -18.173 -2.439 -5.035 1.00 1.89 C ATOM 2329 CD GLN B 44 -18.053 -2.323 -6.553 1.00 2.80 C ATOM 2330 OE1 GLN B 44 -17.571 -3.233 -7.218 1.00 3.35 O ATOM 2331 NE2 GLN B 44 -18.488 -1.201 -7.119 1.00 3.83 N ATOM 0 H GLN B 44 -15.920 -1.339 -3.763 1.00 1.00 H new ATOM 0 HA GLN B 44 -17.762 -3.045 -2.420 1.00 1.08 H new ATOM 0 HB2 GLN B 44 -16.175 -3.261 -5.014 1.00 1.18 H new ATOM 0 HB3 GLN B 44 -17.418 -4.400 -4.533 1.00 1.18 H new ATOM 0 HG2 GLN B 44 -19.161 -2.821 -4.778 1.00 1.89 H new ATOM 0 HG3 GLN B 44 -18.088 -1.449 -4.588 1.00 1.89 H new ATOM 0 HE21 GLN B 44 -18.885 -0.459 -6.542 1.00 3.83 H new ATOM 0 HE22 GLN B 44 -18.425 -1.082 -8.130 1.00 3.83 H new ATOM 2340 N GLN B 45 -14.640 -4.161 -2.682 1.00 0.94 N ATOM 2341 CA GLN B 45 -13.714 -5.168 -2.163 1.00 0.92 C ATOM 2342 C GLN B 45 -13.559 -5.098 -0.650 1.00 0.86 C ATOM 2343 O GLN B 45 -13.262 -6.122 -0.038 1.00 0.95 O ATOM 2344 CB GLN B 45 -12.316 -5.035 -2.776 1.00 0.90 C ATOM 2345 CG GLN B 45 -12.029 -6.061 -3.878 1.00 0.73 C ATOM 2346 CD GLN B 45 -12.678 -5.749 -5.226 1.00 1.02 C ATOM 2347 OE1 GLN B 45 -11.984 -5.642 -6.231 1.00 2.02 O ATOM 2348 NE2 GLN B 45 -13.999 -5.625 -5.278 1.00 1.50 N ATOM 0 H GLN B 45 -14.214 -3.508 -3.340 1.00 0.94 H new ATOM 0 HA GLN B 45 -14.158 -6.124 -2.441 1.00 0.92 H new ATOM 0 HB2 GLN B 45 -12.202 -4.032 -3.187 1.00 0.90 H new ATOM 0 HB3 GLN B 45 -11.571 -5.143 -1.988 1.00 0.90 H new ATOM 0 HG2 GLN B 45 -10.950 -6.132 -4.017 1.00 0.73 H new ATOM 0 HG3 GLN B 45 -12.372 -7.040 -3.543 1.00 0.73 H new ATOM 0 HE21 GLN B 45 -14.554 -5.718 -4.427 1.00 1.50 H new ATOM 0 HE22 GLN B 45 -14.459 -5.436 -6.169 1.00 1.50 H new ATOM 2357 N LEU B 46 -13.690 -3.905 -0.066 1.00 0.78 N ATOM 2358 CA LEU B 46 -13.599 -3.722 1.371 1.00 0.75 C ATOM 2359 C LEU B 46 -14.992 -3.511 1.968 1.00 0.77 C ATOM 2360 O LEU B 46 -15.315 -2.392 2.373 1.00 0.81 O ATOM 2361 CB LEU B 46 -12.660 -2.552 1.693 1.00 0.79 C ATOM 2362 CG LEU B 46 -11.189 -2.860 1.363 1.00 1.00 C ATOM 2363 CD1 LEU B 46 -10.787 -2.389 -0.039 1.00 1.14 C ATOM 2364 CD2 LEU B 46 -10.293 -2.201 2.418 1.00 1.53 C ATOM 0 H LEU B 46 -13.862 -3.043 -0.583 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.180 -4.621 1.824 1.00 0.75 H new ATOM 0 HB2 LEU B 46 -12.977 -1.673 1.132 1.00 0.79 H new ATOM 0 HB3 LEU B 46 -12.746 -2.304 2.751 1.00 0.79 H new ATOM 0 HG LEU B 46 -11.063 -3.943 1.377 1.00 1.00 H new ATOM 0 HD11 LEU B 46 -9.740 -2.632 -0.218 1.00 1.14 H new ATOM 0 HD12 LEU B 46 -11.408 -2.889 -0.783 1.00 1.14 H new ATOM 0 HD13 LEU B 46 -10.927 -1.311 -0.115 1.00 1.14 H new ATOM 0 HD21 LEU B 46 -9.248 -2.414 2.192 1.00 1.53 H new ATOM 0 HD22 LEU B 46 -10.454 -1.123 2.410 1.00 1.53 H new ATOM 0 HD23 LEU B 46 -10.539 -2.597 3.403 1.00 1.53 H new ATOM 2376 N PRO B 47 -15.814 -4.564 2.130 1.00 0.79 N ATOM 2377 CA PRO B 47 -17.121 -4.457 2.761 1.00 0.79 C ATOM 2378 C PRO B 47 -16.987 -4.355 4.287 1.00 0.81 C ATOM 2379 O PRO B 47 -17.756 -4.976 5.018 1.00 1.19 O ATOM 2380 CB PRO B 47 -17.851 -5.737 2.337 1.00 0.94 C ATOM 2381 CG PRO B 47 -16.711 -6.753 2.348 1.00 0.96 C ATOM 2382 CD PRO B 47 -15.568 -5.946 1.745 1.00 0.85 C ATOM 0 HA PRO B 47 -17.663 -3.561 2.459 1.00 0.79 H new ATOM 0 HB2 PRO B 47 -18.647 -6.005 3.032 1.00 0.94 H new ATOM 0 HB3 PRO B 47 -18.307 -5.642 1.352 1.00 0.94 H new ATOM 0 HG2 PRO B 47 -16.481 -7.098 3.356 1.00 0.96 H new ATOM 0 HG3 PRO B 47 -16.945 -7.637 1.754 1.00 0.96 H new ATOM 0 HD2 PRO B 47 -14.605 -6.291 2.120 1.00 0.85 H new ATOM 0 HD3 PRO B 47 -15.544 -6.052 0.660 1.00 0.85 H new ATOM 2390 N HIS B 48 -16.029 -3.564 4.779 1.00 0.99 N ATOM 2391 CA HIS B 48 -15.908 -3.202 6.180 1.00 1.10 C ATOM 2392 C HIS B 48 -16.878 -2.058 6.486 1.00 1.26 C ATOM 2393 O HIS B 48 -17.686 -1.697 5.628 1.00 2.69 O ATOM 2394 CB HIS B 48 -14.444 -2.857 6.493 1.00 1.32 C ATOM 2395 CG HIS B 48 -13.817 -1.768 5.652 1.00 2.86 C ATOM 2396 ND1 HIS B 48 -14.459 -0.789 4.917 1.00 4.52 N ATOM 2397 CD2 HIS B 48 -12.470 -1.570 5.513 1.00 3.85 C ATOM 2398 CE1 HIS B 48 -13.506 -0.017 4.362 1.00 5.98 C ATOM 2399 NE2 HIS B 48 -12.283 -0.456 4.693 1.00 5.61 N ATOM 0 H HIS B 48 -15.302 -3.152 4.194 1.00 0.99 H new ATOM 0 HA HIS B 48 -16.180 -4.036 6.827 1.00 1.10 H new ATOM 0 HB2 HIS B 48 -14.379 -2.561 7.540 1.00 1.32 H new ATOM 0 HB3 HIS B 48 -13.848 -3.762 6.380 1.00 1.32 H new ATOM 0 HD2 HIS B 48 -11.690 -2.169 5.959 1.00 3.85 H new ATOM 0 HE1 HIS B 48 -13.700 0.840 3.735 1.00 5.98 H new ATOM 0 HE2 HIS B 48 -11.391 -0.055 4.403 1.00 5.61 H new ATOM 2407 N LEU B 49 -16.800 -1.487 7.690 1.00 1.49 N ATOM 2408 CA LEU B 49 -17.651 -0.410 8.189 1.00 1.63 C ATOM 2409 C LEU B 49 -18.054 0.583 7.098 1.00 1.61 C ATOM 2410 O LEU B 49 -19.248 0.755 6.856 1.00 1.74 O ATOM 2411 CB LEU B 49 -16.978 0.259 9.394 1.00 1.65 C ATOM 2412 CG LEU B 49 -17.889 1.248 10.142 1.00 1.90 C ATOM 2413 CD1 LEU B 49 -19.149 0.579 10.710 1.00 2.17 C ATOM 2414 CD2 LEU B 49 -17.097 1.863 11.301 1.00 3.38 C ATOM 0 H LEU B 49 -16.105 -1.780 8.377 1.00 1.49 H new ATOM 0 HA LEU B 49 -18.594 -0.843 8.524 1.00 1.63 H new ATOM 0 HB2 LEU B 49 -16.647 -0.513 10.089 1.00 1.65 H new ATOM 0 HB3 LEU B 49 -16.086 0.786 9.055 1.00 1.65 H new ATOM 0 HG LEU B 49 -18.211 2.005 9.427 1.00 1.90 H new ATOM 0 HD11 LEU B 49 -19.754 1.323 11.227 1.00 2.17 H new ATOM 0 HD12 LEU B 49 -19.728 0.142 9.896 1.00 2.17 H new ATOM 0 HD13 LEU B 49 -18.861 -0.204 11.411 1.00 2.17 H new ATOM 0 HD21 LEU B 49 -17.730 2.567 11.841 1.00 3.38 H new ATOM 0 HD22 LEU B 49 -16.772 1.074 11.979 1.00 3.38 H new ATOM 0 HD23 LEU B 49 -16.225 2.386 10.909 1.00 3.38 H new ATOM 2426 N LEU B 50 -17.071 1.173 6.407 1.00 1.53 N ATOM 2427 CA LEU B 50 -17.287 2.117 5.324 1.00 1.56 C ATOM 2428 C LEU B 50 -17.737 3.448 5.936 1.00 1.58 C ATOM 2429 O LEU B 50 -18.773 4.005 5.579 1.00 1.83 O ATOM 2430 CB LEU B 50 -18.252 1.526 4.266 1.00 1.98 C ATOM 2431 CG LEU B 50 -17.836 1.790 2.814 1.00 2.12 C ATOM 2432 CD1 LEU B 50 -17.556 3.276 2.586 1.00 3.81 C ATOM 2433 CD2 LEU B 50 -16.618 0.938 2.436 1.00 2.25 C ATOM 0 H LEU B 50 -16.084 0.998 6.596 1.00 1.53 H new ATOM 0 HA LEU B 50 -16.368 2.312 4.771 1.00 1.56 H new ATOM 0 HB2 LEU B 50 -18.326 0.450 4.420 1.00 1.98 H new ATOM 0 HB3 LEU B 50 -19.247 1.940 4.427 1.00 1.98 H new ATOM 0 HG LEU B 50 -18.665 1.503 2.167 1.00 2.12 H new ATOM 0 HD11 LEU B 50 -17.263 3.436 1.548 1.00 3.81 H new ATOM 0 HD12 LEU B 50 -18.455 3.853 2.802 1.00 3.81 H new ATOM 0 HD13 LEU B 50 -16.750 3.600 3.245 1.00 3.81 H new ATOM 0 HD21 LEU B 50 -16.339 1.140 1.402 1.00 2.25 H new ATOM 0 HD22 LEU B 50 -15.783 1.185 3.092 1.00 2.25 H new ATOM 0 HD23 LEU B 50 -16.865 -0.118 2.545 1.00 2.25 H new ATOM 2445 N LYS B 51 -16.980 3.912 6.937 1.00 1.43 N ATOM 2446 CA LYS B 51 -17.278 5.154 7.645 1.00 1.49 C ATOM 2447 C LYS B 51 -16.721 6.346 6.875 1.00 1.46 C ATOM 2448 O LYS B 51 -17.379 7.370 6.732 1.00 1.43 O ATOM 2449 CB LYS B 51 -16.809 5.082 9.106 1.00 1.51 C ATOM 2450 CG LYS B 51 -15.292 4.954 9.329 1.00 1.57 C ATOM 2451 CD LYS B 51 -14.485 6.265 9.400 1.00 1.75 C ATOM 2452 CE LYS B 51 -14.647 7.152 10.631 1.00 1.89 C ATOM 2453 NZ LYS B 51 -15.888 7.957 10.615 1.00 2.82 N ATOM 0 H LYS B 51 -16.145 3.434 7.276 1.00 1.43 H new ATOM 0 HA LYS B 51 -18.358 5.296 7.693 1.00 1.49 H new ATOM 0 HB2 LYS B 51 -17.156 5.977 9.621 1.00 1.51 H new ATOM 0 HB3 LYS B 51 -17.298 4.231 9.581 1.00 1.51 H new ATOM 0 HG2 LYS B 51 -15.131 4.406 10.257 1.00 1.57 H new ATOM 0 HG3 LYS B 51 -14.881 4.346 8.523 1.00 1.57 H new ATOM 0 HD2 LYS B 51 -13.429 6.010 9.312 1.00 1.75 H new ATOM 0 HD3 LYS B 51 -14.743 6.861 8.525 1.00 1.75 H new ATOM 0 HE2 LYS B 51 -14.640 6.527 11.524 1.00 1.89 H new ATOM 0 HE3 LYS B 51 -13.789 7.821 10.703 1.00 1.89 H new ATOM 0 HZ1 LYS B 51 -15.722 8.861 11.102 1.00 2.82 H new ATOM 0 HZ2 LYS B 51 -16.170 8.141 9.631 1.00 2.82 H new ATOM 0 HZ3 LYS B 51 -16.646 7.436 11.100 1.00 2.82 H new ATOM 2467 N ASP B 52 -15.471 6.169 6.450 1.00 1.53 N ATOM 2468 CA ASP B 52 -14.732 6.787 5.386 1.00 1.47 C ATOM 2469 C ASP B 52 -15.089 8.256 5.172 1.00 1.14 C ATOM 2470 O ASP B 52 -16.009 8.585 4.430 1.00 1.29 O ATOM 2471 CB ASP B 52 -14.805 5.859 4.161 1.00 1.96 C ATOM 2472 CG ASP B 52 -14.405 4.397 4.456 1.00 2.73 C ATOM 2473 OD1 ASP B 52 -14.517 3.957 5.632 1.00 4.20 O ATOM 2474 OD2 ASP B 52 -14.041 3.704 3.486 1.00 2.62 O ATOM 0 H ASP B 52 -14.882 5.485 6.925 1.00 1.53 H new ATOM 0 HA ASP B 52 -13.677 6.882 5.644 1.00 1.47 H new ATOM 0 HB2 ASP B 52 -15.821 5.874 3.766 1.00 1.96 H new ATOM 0 HB3 ASP B 52 -14.154 6.253 3.380 1.00 1.96 H new ATOM 2479 N VAL B 53 -14.352 9.134 5.865 1.00 1.05 N ATOM 2480 CA VAL B 53 -14.578 10.574 5.897 1.00 1.05 C ATOM 2481 C VAL B 53 -13.325 11.336 5.464 1.00 1.17 C ATOM 2482 O VAL B 53 -12.234 10.766 5.418 1.00 1.70 O ATOM 2483 CB VAL B 53 -15.023 11.012 7.306 1.00 1.66 C ATOM 2484 CG1 VAL B 53 -16.366 10.379 7.685 1.00 2.40 C ATOM 2485 CG2 VAL B 53 -13.982 10.671 8.384 1.00 2.70 C ATOM 0 H VAL B 53 -13.557 8.846 6.436 1.00 1.05 H new ATOM 0 HA VAL B 53 -15.373 10.812 5.191 1.00 1.05 H new ATOM 0 HB VAL B 53 -15.129 12.096 7.265 1.00 1.66 H new ATOM 0 HG11 VAL B 53 -16.654 10.707 8.684 1.00 2.40 H new ATOM 0 HG12 VAL B 53 -17.128 10.686 6.969 1.00 2.40 H new ATOM 0 HG13 VAL B 53 -16.273 9.293 7.672 1.00 2.40 H new ATOM 0 HG21 VAL B 53 -14.345 11.001 9.357 1.00 2.70 H new ATOM 0 HG22 VAL B 53 -13.818 9.594 8.404 1.00 2.70 H new ATOM 0 HG23 VAL B 53 -13.044 11.177 8.156 1.00 2.70 H new ATOM 2495 N GLY B 54 -13.484 12.635 5.179 1.00 1.30 N ATOM 2496 CA GLY B 54 -12.409 13.612 5.016 1.00 1.64 C ATOM 2497 C GLY B 54 -11.489 13.301 3.839 1.00 1.38 C ATOM 2498 O GLY B 54 -11.575 13.913 2.777 1.00 1.69 O ATOM 0 H GLY B 54 -14.408 13.048 5.051 1.00 1.30 H new ATOM 0 HA2 GLY B 54 -12.844 14.602 4.877 1.00 1.64 H new ATOM 0 HA3 GLY B 54 -11.818 13.649 5.931 1.00 1.64 H new ATOM 2502 N SER B 55 -10.616 12.312 4.003 1.00 1.09 N ATOM 2503 CA SER B 55 -9.832 11.820 2.889 1.00 0.97 C ATOM 2504 C SER B 55 -10.741 11.114 1.872 1.00 0.91 C ATOM 2505 O SER B 55 -10.401 11.040 0.693 1.00 1.10 O ATOM 2506 CB SER B 55 -8.679 10.968 3.411 1.00 1.10 C ATOM 2507 OG SER B 55 -7.830 11.765 4.221 1.00 1.58 O ATOM 0 H SER B 55 -10.439 11.842 4.891 1.00 1.09 H new ATOM 0 HA SER B 55 -9.373 12.644 2.343 1.00 0.97 H new ATOM 0 HB2 SER B 55 -9.066 10.128 3.988 1.00 1.10 H new ATOM 0 HB3 SER B 55 -8.116 10.549 2.577 1.00 1.10 H new ATOM 0 HG SER B 55 -6.900 11.648 3.935 1.00 1.58 H new ATOM 2513 N LEU B 56 -11.936 10.687 2.302 1.00 0.82 N ATOM 2514 CA LEU B 56 -13.008 10.316 1.387 1.00 0.89 C ATOM 2515 C LEU B 56 -13.268 11.472 0.434 1.00 0.96 C ATOM 2516 O LEU B 56 -13.237 11.286 -0.778 1.00 1.01 O ATOM 2517 CB LEU B 56 -14.280 9.970 2.167 1.00 1.02 C ATOM 2518 CG LEU B 56 -15.523 9.627 1.318 1.00 1.62 C ATOM 2519 CD1 LEU B 56 -16.205 10.809 0.613 1.00 1.84 C ATOM 2520 CD2 LEU B 56 -15.254 8.484 0.333 1.00 2.54 C ATOM 0 H LEU B 56 -12.179 10.592 3.288 1.00 0.82 H new ATOM 0 HA LEU B 56 -12.711 9.435 0.817 1.00 0.89 H new ATOM 0 HB2 LEU B 56 -14.064 9.123 2.818 1.00 1.02 H new ATOM 0 HB3 LEU B 56 -14.527 10.813 2.813 1.00 1.02 H new ATOM 0 HG LEU B 56 -16.247 9.295 2.062 1.00 1.62 H new ATOM 0 HD11 LEU B 56 -17.064 10.449 0.048 1.00 1.84 H new ATOM 0 HD12 LEU B 56 -16.538 11.533 1.356 1.00 1.84 H new ATOM 0 HD13 LEU B 56 -15.498 11.285 -0.066 1.00 1.84 H new ATOM 0 HD21 LEU B 56 -16.157 8.279 -0.242 1.00 2.54 H new ATOM 0 HD22 LEU B 56 -14.450 8.770 -0.345 1.00 2.54 H new ATOM 0 HD23 LEU B 56 -14.964 7.590 0.884 1.00 2.54 H new ATOM 2532 N ASP B 57 -13.513 12.669 0.978 1.00 1.07 N ATOM 2533 CA ASP B 57 -13.735 13.844 0.154 1.00 1.23 C ATOM 2534 C ASP B 57 -12.513 14.058 -0.742 1.00 1.13 C ATOM 2535 O ASP B 57 -12.664 14.218 -1.946 1.00 1.17 O ATOM 2536 CB ASP B 57 -14.083 15.077 1.003 1.00 1.53 C ATOM 2537 CG ASP B 57 -13.909 16.370 0.220 1.00 2.19 C ATOM 2538 OD1 ASP B 57 -14.375 16.462 -0.936 1.00 3.29 O ATOM 2539 OD2 ASP B 57 -13.245 17.293 0.740 1.00 2.99 O ATOM 0 H ASP B 57 -13.561 12.841 1.982 1.00 1.07 H new ATOM 0 HA ASP B 57 -14.603 13.685 -0.486 1.00 1.23 H new ATOM 0 HB2 ASP B 57 -15.113 14.999 1.352 1.00 1.53 H new ATOM 0 HB3 ASP B 57 -13.447 15.100 1.888 1.00 1.53 H new ATOM 2544 N GLU B 58 -11.297 13.984 -0.189 1.00 1.12 N ATOM 2545 CA GLU B 58 -10.077 13.950 -1.001 1.00 1.15 C ATOM 2546 C GLU B 58 -10.183 12.950 -2.168 1.00 1.06 C ATOM 2547 O GLU B 58 -9.850 13.288 -3.304 1.00 1.11 O ATOM 2548 CB GLU B 58 -8.827 13.726 -0.134 1.00 1.17 C ATOM 2549 CG GLU B 58 -7.531 14.118 -0.857 1.00 2.12 C ATOM 2550 CD GLU B 58 -7.441 15.622 -1.082 1.00 3.15 C ATOM 2551 OE1 GLU B 58 -7.094 16.315 -0.104 1.00 3.33 O ATOM 2552 OE2 GLU B 58 -7.754 16.049 -2.215 1.00 4.66 O ATOM 0 H GLU B 58 -11.132 13.947 0.817 1.00 1.12 H new ATOM 0 HA GLU B 58 -9.965 14.932 -1.460 1.00 1.15 H new ATOM 0 HB2 GLU B 58 -8.917 14.307 0.784 1.00 1.17 H new ATOM 0 HB3 GLU B 58 -8.774 12.677 0.157 1.00 1.17 H new ATOM 0 HG2 GLU B 58 -6.674 13.786 -0.271 1.00 2.12 H new ATOM 0 HG3 GLU B 58 -7.480 13.603 -1.816 1.00 2.12 H new ATOM 2559 N LYS B 59 -10.681 11.730 -1.921 1.00 1.01 N ATOM 2560 CA LYS B 59 -10.925 10.755 -2.979 1.00 1.07 C ATOM 2561 C LYS B 59 -11.891 11.379 -3.990 1.00 0.95 C ATOM 2562 O LYS B 59 -11.524 11.589 -5.142 1.00 0.96 O ATOM 2563 CB LYS B 59 -11.478 9.417 -2.414 1.00 1.34 C ATOM 2564 CG LYS B 59 -10.802 8.150 -2.982 1.00 1.65 C ATOM 2565 CD LYS B 59 -9.859 7.501 -1.962 1.00 0.97 C ATOM 2566 CE LYS B 59 -8.581 8.310 -1.933 1.00 2.49 C ATOM 2567 NZ LYS B 59 -8.625 9.409 -0.949 1.00 3.46 N ATOM 0 H LYS B 59 -10.923 11.399 -0.987 1.00 1.01 H new ATOM 0 HA LYS B 59 -9.984 10.508 -3.471 1.00 1.07 H new ATOM 0 HB2 LYS B 59 -11.362 9.420 -1.330 1.00 1.34 H new ATOM 0 HB3 LYS B 59 -12.547 9.365 -2.620 1.00 1.34 H new ATOM 0 HG2 LYS B 59 -11.567 7.432 -3.278 1.00 1.65 H new ATOM 0 HG3 LYS B 59 -10.242 8.409 -3.881 1.00 1.65 H new ATOM 0 HD2 LYS B 59 -10.320 7.480 -0.975 1.00 0.97 H new ATOM 0 HD3 LYS B 59 -9.651 6.467 -2.238 1.00 0.97 H new ATOM 0 HE2 LYS B 59 -7.744 7.652 -1.699 1.00 2.49 H new ATOM 0 HE3 LYS B 59 -8.394 8.723 -2.924 1.00 2.49 H new ATOM 0 HZ1 LYS B 59 -7.667 9.789 -0.810 1.00 3.46 H new ATOM 0 HZ2 LYS B 59 -9.249 10.164 -1.299 1.00 3.46 H new ATOM 0 HZ3 LYS B 59 -8.990 9.050 -0.044 1.00 3.46 H new ATOM 2581 N MET B 60 -13.107 11.715 -3.550 1.00 0.98 N ATOM 2582 CA MET B 60 -14.162 12.219 -4.417 1.00 0.99 C ATOM 2583 C MET B 60 -13.639 13.355 -5.291 1.00 0.95 C ATOM 2584 O MET B 60 -13.720 13.276 -6.512 1.00 0.97 O ATOM 2585 CB MET B 60 -15.384 12.629 -3.578 1.00 1.08 C ATOM 2586 CG MET B 60 -16.545 13.122 -4.456 1.00 1.26 C ATOM 2587 SD MET B 60 -16.446 14.851 -5.000 1.00 2.43 S ATOM 2588 CE MET B 60 -17.753 14.879 -6.245 1.00 2.73 C ATOM 0 H MET B 60 -13.384 11.642 -2.571 1.00 0.98 H new ATOM 0 HA MET B 60 -14.487 11.428 -5.093 1.00 0.99 H new ATOM 0 HB2 MET B 60 -15.716 11.779 -2.981 1.00 1.08 H new ATOM 0 HB3 MET B 60 -15.097 13.416 -2.880 1.00 1.08 H new ATOM 0 HG2 MET B 60 -16.603 12.486 -5.339 1.00 1.26 H new ATOM 0 HG3 MET B 60 -17.475 12.987 -3.904 1.00 1.26 H new ATOM 0 HE1 MET B 60 -17.822 15.877 -6.678 1.00 2.73 H new ATOM 0 HE2 MET B 60 -17.524 14.158 -7.030 1.00 2.73 H new ATOM 0 HE3 MET B 60 -18.704 14.619 -5.780 1.00 2.73 H new ATOM 2598 N LYS B 61 -13.085 14.394 -4.670 1.00 1.01 N ATOM 2599 CA LYS B 61 -12.651 15.592 -5.363 1.00 1.19 C ATOM 2600 C LYS B 61 -11.488 15.270 -6.308 1.00 1.23 C ATOM 2601 O LYS B 61 -11.491 15.702 -7.457 1.00 1.40 O ATOM 2602 CB LYS B 61 -12.383 16.721 -4.352 1.00 1.50 C ATOM 2603 CG LYS B 61 -11.046 16.589 -3.615 1.00 1.52 C ATOM 2604 CD LYS B 61 -11.013 17.209 -2.213 1.00 1.65 C ATOM 2605 CE LYS B 61 -11.636 18.602 -2.097 1.00 1.95 C ATOM 2606 NZ LYS B 61 -12.992 18.553 -1.511 1.00 2.75 N ATOM 0 H LYS B 61 -12.926 14.422 -3.663 1.00 1.01 H new ATOM 0 HA LYS B 61 -13.443 15.970 -6.010 1.00 1.19 H new ATOM 0 HB2 LYS B 61 -12.406 17.677 -4.875 1.00 1.50 H new ATOM 0 HB3 LYS B 61 -13.190 16.739 -3.620 1.00 1.50 H new ATOM 0 HG2 LYS B 61 -10.796 15.531 -3.534 1.00 1.52 H new ATOM 0 HG3 LYS B 61 -10.268 17.054 -4.220 1.00 1.52 H new ATOM 0 HD2 LYS B 61 -11.531 16.540 -1.526 1.00 1.65 H new ATOM 0 HD3 LYS B 61 -9.976 17.265 -1.883 1.00 1.65 H new ATOM 0 HE2 LYS B 61 -10.997 19.235 -1.481 1.00 1.95 H new ATOM 0 HE3 LYS B 61 -11.684 19.062 -3.084 1.00 1.95 H new ATOM 0 HZ1 LYS B 61 -13.512 19.417 -1.766 1.00 2.75 H new ATOM 0 HZ2 LYS B 61 -13.499 17.723 -1.878 1.00 2.75 H new ATOM 0 HZ3 LYS B 61 -12.921 18.485 -0.476 1.00 2.75 H new ATOM 2620 N SER B 62 -10.511 14.472 -5.861 1.00 1.15 N ATOM 2621 CA SER B 62 -9.433 14.015 -6.733 1.00 1.22 C ATOM 2622 C SER B 62 -10.006 13.331 -7.983 1.00 1.25 C ATOM 2623 O SER B 62 -9.576 13.612 -9.100 1.00 1.50 O ATOM 2624 CB SER B 62 -8.478 13.105 -5.948 1.00 1.17 C ATOM 2625 OG SER B 62 -7.397 12.677 -6.754 1.00 1.38 O ATOM 0 H SER B 62 -10.449 14.132 -4.901 1.00 1.15 H new ATOM 0 HA SER B 62 -8.855 14.871 -7.081 1.00 1.22 H new ATOM 0 HB2 SER B 62 -8.096 13.639 -5.078 1.00 1.17 H new ATOM 0 HB3 SER B 62 -9.023 12.237 -5.576 1.00 1.17 H new ATOM 0 HG SER B 62 -6.805 12.100 -6.228 1.00 1.38 H new ATOM 2631 N LEU B 63 -10.998 12.453 -7.807 1.00 1.10 N ATOM 2632 CA LEU B 63 -11.649 11.779 -8.925 1.00 1.17 C ATOM 2633 C LEU B 63 -12.439 12.803 -9.759 1.00 1.27 C ATOM 2634 O LEU B 63 -12.448 12.729 -10.986 1.00 1.33 O ATOM 2635 CB LEU B 63 -12.492 10.587 -8.425 1.00 1.11 C ATOM 2636 CG LEU B 63 -11.689 9.411 -7.835 1.00 1.16 C ATOM 2637 CD1 LEU B 63 -10.232 9.676 -7.416 1.00 1.26 C ATOM 2638 CD2 LEU B 63 -12.447 8.858 -6.626 1.00 1.32 C ATOM 0 H LEU B 63 -11.367 12.194 -6.892 1.00 1.10 H new ATOM 0 HA LEU B 63 -10.903 11.347 -9.592 1.00 1.17 H new ATOM 0 HB2 LEU B 63 -13.186 10.948 -7.666 1.00 1.11 H new ATOM 0 HB3 LEU B 63 -13.092 10.215 -9.255 1.00 1.11 H new ATOM 0 HG LEU B 63 -11.604 8.710 -8.665 1.00 1.16 H new ATOM 0 HD11 LEU B 63 -9.795 8.759 -7.020 1.00 1.26 H new ATOM 0 HD12 LEU B 63 -9.659 10.006 -8.282 1.00 1.26 H new ATOM 0 HD13 LEU B 63 -10.209 10.450 -6.649 1.00 1.26 H new ATOM 0 HD21 LEU B 63 -11.890 8.024 -6.198 1.00 1.32 H new ATOM 0 HD22 LEU B 63 -12.560 9.642 -5.877 1.00 1.32 H new ATOM 0 HD23 LEU B 63 -13.432 8.513 -6.941 1.00 1.32 H new ATOM 2650 N ASP B 64 -13.070 13.788 -9.119 1.00 1.36 N ATOM 2651 CA ASP B 64 -13.809 14.847 -9.796 1.00 1.54 C ATOM 2652 C ASP B 64 -12.920 15.603 -10.792 1.00 1.62 C ATOM 2653 O ASP B 64 -13.334 15.801 -11.931 1.00 1.80 O ATOM 2654 CB ASP B 64 -14.448 15.786 -8.766 1.00 1.54 C ATOM 2655 CG ASP B 64 -15.426 16.746 -9.422 1.00 1.67 C ATOM 2656 OD1 ASP B 64 -16.602 16.345 -9.560 1.00 2.00 O ATOM 2657 OD2 ASP B 64 -14.985 17.869 -9.744 1.00 2.12 O ATOM 0 H ASP B 64 -13.081 13.871 -8.102 1.00 1.36 H new ATOM 0 HA ASP B 64 -14.611 14.393 -10.379 1.00 1.54 H new ATOM 0 HB2 ASP B 64 -14.966 15.198 -8.008 1.00 1.54 H new ATOM 0 HB3 ASP B 64 -13.669 16.351 -8.254 1.00 1.54 H new ATOM 2662 N VAL B 65 -11.693 15.975 -10.385 1.00 1.53 N ATOM 2663 CA VAL B 65 -10.736 16.689 -11.245 1.00 1.58 C ATOM 2664 C VAL B 65 -10.672 16.066 -12.640 1.00 1.58 C ATOM 2665 O VAL B 65 -11.037 16.703 -13.628 1.00 1.70 O ATOM 2666 CB VAL B 65 -9.320 16.733 -10.630 1.00 1.52 C ATOM 2667 CG1 VAL B 65 -8.301 17.378 -11.582 1.00 1.89 C ATOM 2668 CG2 VAL B 65 -9.299 17.535 -9.333 1.00 2.01 C ATOM 0 H VAL B 65 -11.338 15.788 -9.447 1.00 1.53 H new ATOM 0 HA VAL B 65 -11.101 17.713 -11.328 1.00 1.58 H new ATOM 0 HB VAL B 65 -9.048 15.695 -10.440 1.00 1.52 H new ATOM 0 HG11 VAL B 65 -7.318 17.389 -11.110 1.00 1.89 H new ATOM 0 HG12 VAL B 65 -8.253 16.804 -12.507 1.00 1.89 H new ATOM 0 HG13 VAL B 65 -8.608 18.400 -11.805 1.00 1.89 H new ATOM 0 HG21 VAL B 65 -8.287 17.545 -8.928 1.00 2.01 H new ATOM 0 HG22 VAL B 65 -9.620 18.557 -9.532 1.00 2.01 H new ATOM 0 HG23 VAL B 65 -9.974 17.077 -8.611 1.00 2.01 H new ATOM 2678 N ASN B 66 -10.150 14.841 -12.730 1.00 1.48 N ATOM 2679 CA ASN B 66 -10.109 14.106 -13.978 1.00 1.45 C ATOM 2680 C ASN B 66 -10.009 12.605 -13.731 1.00 1.46 C ATOM 2681 O ASN B 66 -9.010 11.967 -14.068 1.00 1.55 O ATOM 2682 CB ASN B 66 -8.943 14.584 -14.842 1.00 1.44 C ATOM 2683 CG ASN B 66 -8.985 13.909 -16.202 1.00 1.52 C ATOM 2684 OD1 ASN B 66 -9.973 13.285 -16.579 1.00 2.72 O ATOM 2685 ND2 ASN B 66 -7.891 13.990 -16.939 1.00 2.56 N ATOM 0 H ASN B 66 -9.747 14.340 -11.938 1.00 1.48 H new ATOM 0 HA ASN B 66 -11.040 14.297 -14.511 1.00 1.45 H new ATOM 0 HB2 ASN B 66 -8.991 15.666 -14.964 1.00 1.44 H new ATOM 0 HB3 ASN B 66 -7.998 14.361 -14.346 1.00 1.44 H new ATOM 0 HD21 ASN B 66 -7.852 13.527 -17.847 1.00 2.56 H new ATOM 0 HD22 ASN B 66 -7.085 14.516 -16.600 1.00 2.56 H new ATOM 2692 N GLN B 67 -11.076 12.014 -13.198 1.00 1.40 N ATOM 2693 CA GLN B 67 -11.193 10.573 -13.085 1.00 1.29 C ATOM 2694 C GLN B 67 -10.871 9.833 -14.383 1.00 1.47 C ATOM 2695 O GLN B 67 -10.452 8.676 -14.356 1.00 1.48 O ATOM 2696 CB GLN B 67 -12.611 10.180 -12.674 1.00 1.22 C ATOM 2697 CG GLN B 67 -13.714 10.857 -13.512 1.00 1.42 C ATOM 2698 CD GLN B 67 -14.584 9.843 -14.247 1.00 1.81 C ATOM 2699 OE1 GLN B 67 -15.639 9.464 -13.748 1.00 2.63 O ATOM 2700 NE2 GLN B 67 -14.156 9.378 -15.416 1.00 2.84 N ATOM 0 H GLN B 67 -11.880 12.525 -12.834 1.00 1.40 H new ATOM 0 HA GLN B 67 -10.462 10.283 -12.330 1.00 1.29 H new ATOM 0 HB2 GLN B 67 -12.717 9.098 -12.758 1.00 1.22 H new ATOM 0 HB3 GLN B 67 -12.758 10.434 -11.624 1.00 1.22 H new ATOM 0 HG2 GLN B 67 -14.341 11.466 -12.860 1.00 1.42 H new ATOM 0 HG3 GLN B 67 -13.256 11.532 -14.235 1.00 1.42 H new ATOM 0 HE21 GLN B 67 -13.275 9.712 -15.806 1.00 2.84 H new ATOM 0 HE22 GLN B 67 -14.709 8.687 -15.923 1.00 2.84 H new ATOM 2709 N ASP B 68 -11.139 10.479 -15.520 1.00 1.65 N ATOM 2710 CA ASP B 68 -11.017 9.858 -16.821 1.00 1.75 C ATOM 2711 C ASP B 68 -9.543 9.712 -17.233 1.00 2.00 C ATOM 2712 O ASP B 68 -9.236 9.052 -18.218 1.00 2.37 O ATOM 2713 CB ASP B 68 -11.818 10.690 -17.831 1.00 1.61 C ATOM 2714 CG ASP B 68 -12.151 9.884 -19.076 1.00 1.81 C ATOM 2715 OD1 ASP B 68 -12.851 8.863 -18.897 1.00 2.67 O ATOM 2716 OD2 ASP B 68 -11.747 10.326 -20.171 1.00 2.84 O ATOM 0 H ASP B 68 -11.447 11.451 -15.554 1.00 1.65 H new ATOM 0 HA ASP B 68 -11.423 8.847 -16.790 1.00 1.75 H new ATOM 0 HB2 ASP B 68 -12.739 11.041 -17.366 1.00 1.61 H new ATOM 0 HB3 ASP B 68 -11.246 11.574 -18.111 1.00 1.61 H new ATOM 2721 N SER B 69 -8.604 10.263 -16.446 1.00 1.88 N ATOM 2722 CA SER B 69 -7.166 10.214 -16.718 1.00 2.13 C ATOM 2723 C SER B 69 -6.554 8.800 -16.694 1.00 2.18 C ATOM 2724 O SER B 69 -5.332 8.693 -16.829 1.00 3.68 O ATOM 2725 CB SER B 69 -6.435 11.072 -15.674 1.00 2.05 C ATOM 2726 OG SER B 69 -5.092 11.289 -16.062 1.00 2.58 O ATOM 0 H SER B 69 -8.832 10.764 -15.587 1.00 1.88 H new ATOM 0 HA SER B 69 -7.040 10.589 -17.734 1.00 2.13 H new ATOM 0 HB2 SER B 69 -6.945 12.028 -15.559 1.00 2.05 H new ATOM 0 HB3 SER B 69 -6.464 10.577 -14.703 1.00 2.05 H new ATOM 0 HG SER B 69 -4.733 10.473 -16.468 1.00 2.58 H new ATOM 2732 N GLU B 70 -7.365 7.764 -16.452 1.00 1.44 N ATOM 2733 CA GLU B 70 -6.975 6.409 -16.066 1.00 1.32 C ATOM 2734 C GLU B 70 -6.333 6.412 -14.689 1.00 1.19 C ATOM 2735 O GLU B 70 -5.754 7.400 -14.242 1.00 1.34 O ATOM 2736 CB GLU B 70 -6.015 5.725 -17.051 1.00 1.41 C ATOM 2737 CG GLU B 70 -6.693 5.287 -18.345 1.00 1.96 C ATOM 2738 CD GLU B 70 -5.681 4.879 -19.417 1.00 2.38 C ATOM 2739 OE1 GLU B 70 -4.468 5.102 -19.181 1.00 2.84 O ATOM 2740 OE2 GLU B 70 -6.125 4.336 -20.447 1.00 3.22 O ATOM 0 H GLU B 70 -8.378 7.859 -16.526 1.00 1.44 H new ATOM 0 HA GLU B 70 -7.902 5.835 -16.067 1.00 1.32 H new ATOM 0 HB2 GLU B 70 -5.201 6.409 -17.289 1.00 1.41 H new ATOM 0 HB3 GLU B 70 -5.570 4.855 -16.569 1.00 1.41 H new ATOM 0 HG2 GLU B 70 -7.359 4.449 -18.139 1.00 1.96 H new ATOM 0 HG3 GLU B 70 -7.312 6.101 -18.723 1.00 1.96 H new ATOM 2747 N LEU B 71 -6.408 5.258 -14.036 1.00 1.16 N ATOM 2748 CA LEU B 71 -5.623 4.997 -12.843 1.00 1.11 C ATOM 2749 C LEU B 71 -4.313 4.352 -13.280 1.00 1.11 C ATOM 2750 O LEU B 71 -4.271 3.697 -14.321 1.00 1.29 O ATOM 2751 CB LEU B 71 -6.432 4.087 -11.920 1.00 1.28 C ATOM 2752 CG LEU B 71 -5.836 3.908 -10.523 1.00 1.15 C ATOM 2753 CD1 LEU B 71 -5.697 5.247 -9.791 1.00 1.79 C ATOM 2754 CD2 LEU B 71 -6.811 3.029 -9.747 1.00 2.23 C ATOM 0 H LEU B 71 -7.010 4.485 -14.318 1.00 1.16 H new ATOM 0 HA LEU B 71 -5.394 5.910 -12.294 1.00 1.11 H new ATOM 0 HB2 LEU B 71 -7.439 4.493 -11.822 1.00 1.28 H new ATOM 0 HB3 LEU B 71 -6.527 3.108 -12.389 1.00 1.28 H new ATOM 0 HG LEU B 71 -4.841 3.469 -10.600 1.00 1.15 H new ATOM 0 HD11 LEU B 71 -5.270 5.079 -8.802 1.00 1.79 H new ATOM 0 HD12 LEU B 71 -5.043 5.907 -10.361 1.00 1.79 H new ATOM 0 HD13 LEU B 71 -6.679 5.709 -9.688 1.00 1.79 H new ATOM 0 HD21 LEU B 71 -6.432 2.869 -8.738 1.00 2.23 H new ATOM 0 HD22 LEU B 71 -7.783 3.520 -9.696 1.00 2.23 H new ATOM 0 HD23 LEU B 71 -6.916 2.069 -10.252 1.00 2.23 H new ATOM 2766 N LYS B 72 -3.242 4.524 -12.501 1.00 1.04 N ATOM 2767 CA LYS B 72 -1.981 3.821 -12.681 1.00 1.11 C ATOM 2768 C LYS B 72 -1.423 3.520 -11.290 1.00 1.02 C ATOM 2769 O LYS B 72 -1.908 4.070 -10.299 1.00 0.89 O ATOM 2770 CB LYS B 72 -1.020 4.631 -13.573 1.00 1.38 C ATOM 2771 CG LYS B 72 -1.633 4.805 -14.971 1.00 1.68 C ATOM 2772 CD LYS B 72 -0.697 5.443 -16.004 1.00 1.87 C ATOM 2773 CE LYS B 72 -1.291 5.318 -17.421 1.00 2.83 C ATOM 2774 NZ LYS B 72 -2.679 5.819 -17.513 1.00 3.64 N ATOM 0 H LYS B 72 -3.233 5.171 -11.712 1.00 1.04 H new ATOM 0 HA LYS B 72 -2.122 2.878 -13.209 1.00 1.11 H new ATOM 0 HB2 LYS B 72 -0.828 5.606 -13.126 1.00 1.38 H new ATOM 0 HB3 LYS B 72 -0.060 4.120 -13.647 1.00 1.38 H new ATOM 0 HG2 LYS B 72 -1.947 3.829 -15.339 1.00 1.68 H new ATOM 0 HG3 LYS B 72 -2.530 5.418 -14.886 1.00 1.68 H new ATOM 0 HD2 LYS B 72 -0.540 6.494 -15.761 1.00 1.87 H new ATOM 0 HD3 LYS B 72 0.278 4.958 -15.968 1.00 1.87 H new ATOM 0 HE2 LYS B 72 -0.664 5.870 -18.121 1.00 2.83 H new ATOM 0 HE3 LYS B 72 -1.267 4.272 -17.728 1.00 2.83 H new ATOM 0 HZ1 LYS B 72 -3.071 5.587 -18.448 1.00 3.64 H new ATOM 0 HZ2 LYS B 72 -3.259 5.373 -16.774 1.00 3.64 H new ATOM 0 HZ3 LYS B 72 -2.685 6.851 -17.382 1.00 3.64 H new ATOM 2788 N PHE B 73 -0.447 2.612 -11.219 1.00 1.15 N ATOM 2789 CA PHE B 73 0.001 1.960 -9.991 1.00 1.12 C ATOM 2790 C PHE B 73 0.247 2.935 -8.842 1.00 0.96 C ATOM 2791 O PHE B 73 -0.203 2.698 -7.723 1.00 0.79 O ATOM 2792 CB PHE B 73 1.235 1.072 -10.246 1.00 1.43 C ATOM 2793 CG PHE B 73 2.112 1.504 -11.406 1.00 1.86 C ATOM 2794 CD1 PHE B 73 3.101 2.486 -11.216 1.00 2.91 C ATOM 2795 CD2 PHE B 73 1.860 1.004 -12.700 1.00 2.72 C ATOM 2796 CE1 PHE B 73 3.802 2.997 -12.322 1.00 3.73 C ATOM 2797 CE2 PHE B 73 2.551 1.527 -13.806 1.00 3.42 C ATOM 2798 CZ PHE B 73 3.520 2.527 -13.617 1.00 3.63 C ATOM 0 H PHE B 73 0.069 2.302 -12.043 1.00 1.15 H new ATOM 0 HA PHE B 73 -0.822 1.320 -9.672 1.00 1.12 H new ATOM 0 HB2 PHE B 73 1.842 1.052 -9.341 1.00 1.43 H new ATOM 0 HB3 PHE B 73 0.897 0.051 -10.427 1.00 1.43 H new ATOM 0 HD1 PHE B 73 3.321 2.847 -10.222 1.00 2.91 H new ATOM 0 HD2 PHE B 73 1.134 0.217 -12.841 1.00 2.72 H new ATOM 0 HE1 PHE B 73 4.560 3.753 -12.177 1.00 3.73 H new ATOM 0 HE2 PHE B 73 2.338 1.161 -14.800 1.00 3.42 H new ATOM 0 HZ PHE B 73 4.048 2.935 -14.466 1.00 3.63 H new ATOM 2808 N ASN B 74 0.961 4.023 -9.122 1.00 1.09 N ATOM 2809 CA ASN B 74 1.230 5.089 -8.164 1.00 1.12 C ATOM 2810 C ASN B 74 -0.058 5.532 -7.455 1.00 0.79 C ATOM 2811 O ASN B 74 -0.121 5.576 -6.226 1.00 0.73 O ATOM 2812 CB ASN B 74 1.916 6.270 -8.879 1.00 1.57 C ATOM 2813 CG ASN B 74 1.011 6.921 -9.929 1.00 2.82 C ATOM 2814 OD1 ASN B 74 0.379 6.217 -10.714 1.00 4.30 O ATOM 2815 ND2 ASN B 74 0.888 8.242 -9.914 1.00 3.24 N ATOM 0 H ASN B 74 1.376 4.190 -10.039 1.00 1.09 H new ATOM 0 HA ASN B 74 1.904 4.712 -7.395 1.00 1.12 H new ATOM 0 HB2 ASN B 74 2.209 7.017 -8.142 1.00 1.57 H new ATOM 0 HB3 ASN B 74 2.830 5.920 -9.358 1.00 1.57 H new ATOM 0 HD21 ASN B 74 0.254 8.703 -10.567 1.00 3.24 H new ATOM 0 HD22 ASN B 74 1.427 8.797 -9.249 1.00 3.24 H new ATOM 2822 N GLU B 75 -1.078 5.888 -8.237 1.00 0.80 N ATOM 2823 CA GLU B 75 -2.325 6.454 -7.753 1.00 0.77 C ATOM 2824 C GLU B 75 -3.311 5.398 -7.272 1.00 0.84 C ATOM 2825 O GLU B 75 -4.059 5.668 -6.333 1.00 1.16 O ATOM 2826 CB GLU B 75 -2.851 7.470 -8.772 1.00 0.97 C ATOM 2827 CG GLU B 75 -2.126 8.781 -8.436 1.00 1.91 C ATOM 2828 CD GLU B 75 -1.970 9.750 -9.589 1.00 2.58 C ATOM 2829 OE1 GLU B 75 -1.455 9.321 -10.644 1.00 2.72 O ATOM 2830 OE2 GLU B 75 -2.236 10.939 -9.313 1.00 4.07 O ATOM 0 H GLU B 75 -1.053 5.785 -9.251 1.00 0.80 H new ATOM 0 HA GLU B 75 -2.147 7.018 -6.837 1.00 0.77 H new ATOM 0 HB2 GLU B 75 -2.638 7.152 -9.793 1.00 0.97 H new ATOM 0 HB3 GLU B 75 -3.932 7.585 -8.693 1.00 0.97 H new ATOM 0 HG2 GLU B 75 -2.669 9.281 -7.634 1.00 1.91 H new ATOM 0 HG3 GLU B 75 -1.136 8.540 -8.049 1.00 1.91 H new ATOM 2837 N TYR B 76 -3.264 4.185 -7.836 1.00 0.70 N ATOM 2838 CA TYR B 76 -3.870 3.022 -7.197 1.00 0.85 C ATOM 2839 C TYR B 76 -3.401 3.010 -5.746 1.00 0.82 C ATOM 2840 O TYR B 76 -4.217 2.979 -4.824 1.00 0.92 O ATOM 2841 CB TYR B 76 -3.480 1.735 -7.947 1.00 0.95 C ATOM 2842 CG TYR B 76 -4.155 0.446 -7.497 1.00 1.44 C ATOM 2843 CD1 TYR B 76 -3.846 -0.131 -6.249 1.00 1.73 C ATOM 2844 CD2 TYR B 76 -4.953 -0.275 -8.406 1.00 2.63 C ATOM 2845 CE1 TYR B 76 -4.377 -1.385 -5.896 1.00 2.11 C ATOM 2846 CE2 TYR B 76 -5.415 -1.563 -8.085 1.00 3.12 C ATOM 2847 CZ TYR B 76 -5.145 -2.111 -6.822 1.00 2.50 C ATOM 2848 OH TYR B 76 -5.616 -3.351 -6.508 1.00 3.02 O ATOM 0 H TYR B 76 -2.813 3.989 -8.730 1.00 0.70 H new ATOM 0 HA TYR B 76 -4.958 3.074 -7.226 1.00 0.85 H new ATOM 0 HB2 TYR B 76 -3.696 1.880 -9.005 1.00 0.95 H new ATOM 0 HB3 TYR B 76 -2.402 1.603 -7.857 1.00 0.95 H new ATOM 0 HD1 TYR B 76 -3.199 0.392 -5.561 1.00 1.73 H new ATOM 0 HD2 TYR B 76 -5.212 0.165 -9.358 1.00 2.63 H new ATOM 0 HE1 TYR B 76 -4.194 -1.790 -4.912 1.00 2.11 H new ATOM 0 HE2 TYR B 76 -5.978 -2.131 -8.811 1.00 3.12 H new ATOM 0 HH TYR B 76 -6.128 -3.708 -7.264 1.00 3.02 H new ATOM 2858 N TRP B 77 -2.078 3.100 -5.568 1.00 0.70 N ATOM 2859 CA TRP B 77 -1.470 3.203 -4.262 1.00 0.66 C ATOM 2860 C TRP B 77 -2.081 4.329 -3.435 1.00 0.80 C ATOM 2861 O TRP B 77 -2.845 4.036 -2.520 1.00 0.84 O ATOM 2862 CB TRP B 77 0.055 3.306 -4.365 1.00 0.65 C ATOM 2863 CG TRP B 77 0.706 2.277 -3.544 1.00 0.62 C ATOM 2864 CD1 TRP B 77 1.027 2.448 -2.257 1.00 0.62 C ATOM 2865 CD2 TRP B 77 1.136 0.939 -3.903 1.00 0.60 C ATOM 2866 NE1 TRP B 77 1.518 1.279 -1.753 1.00 0.61 N ATOM 2867 CE2 TRP B 77 1.679 0.333 -2.737 1.00 0.59 C ATOM 2868 CE3 TRP B 77 1.191 0.204 -5.103 1.00 0.62 C ATOM 2869 CZ2 TRP B 77 2.256 -0.936 -2.751 1.00 0.61 C ATOM 2870 CZ3 TRP B 77 1.796 -1.062 -5.121 1.00 0.63 C ATOM 2871 CH2 TRP B 77 2.293 -1.642 -3.957 1.00 0.64 C ATOM 0 H TRP B 77 -1.408 3.102 -6.337 1.00 0.70 H new ATOM 0 HA TRP B 77 -1.688 2.281 -3.723 1.00 0.66 H new ATOM 0 HB2 TRP B 77 0.362 3.195 -5.405 1.00 0.65 H new ATOM 0 HB3 TRP B 77 0.380 4.295 -4.041 1.00 0.65 H new ATOM 0 HD1 TRP B 77 0.915 3.368 -1.703 1.00 0.62 H new ATOM 0 HE1 TRP B 77 1.738 1.126 -0.769 1.00 0.61 H new ATOM 0 HE3 TRP B 77 0.768 0.614 -6.008 1.00 0.62 H new ATOM 0 HZ2 TRP B 77 2.666 -1.365 -1.849 1.00 0.61 H new ATOM 0 HZ3 TRP B 77 1.878 -1.597 -6.056 1.00 0.63 H new ATOM 0 HH2 TRP B 77 2.708 -2.639 -3.986 1.00 0.64 H new ATOM 2882 N ARG B 78 -1.740 5.593 -3.725 1.00 0.87 N ATOM 2883 CA ARG B 78 -2.242 6.743 -2.970 1.00 0.95 C ATOM 2884 C ARG B 78 -3.729 6.572 -2.600 1.00 0.91 C ATOM 2885 O ARG B 78 -4.098 6.713 -1.435 1.00 0.92 O ATOM 2886 CB ARG B 78 -2.040 8.059 -3.756 1.00 1.16 C ATOM 2887 CG ARG B 78 -0.643 8.220 -4.387 1.00 1.17 C ATOM 2888 CD ARG B 78 -0.200 9.681 -4.556 1.00 1.22 C ATOM 2889 NE ARG B 78 -0.844 10.341 -5.710 1.00 2.14 N ATOM 2890 CZ ARG B 78 -0.574 11.594 -6.118 1.00 3.06 C ATOM 2891 NH1 ARG B 78 0.267 12.348 -5.400 1.00 3.54 N ATOM 2892 NH2 ARG B 78 -1.122 12.100 -7.228 1.00 4.22 N ATOM 0 H ARG B 78 -1.110 5.843 -4.488 1.00 0.87 H new ATOM 0 HA ARG B 78 -1.664 6.796 -2.047 1.00 0.95 H new ATOM 0 HB2 ARG B 78 -2.790 8.114 -4.545 1.00 1.16 H new ATOM 0 HB3 ARG B 78 -2.221 8.899 -3.085 1.00 1.16 H new ATOM 0 HG2 ARG B 78 0.087 7.699 -3.767 1.00 1.17 H new ATOM 0 HG3 ARG B 78 -0.638 7.734 -5.363 1.00 1.17 H new ATOM 0 HD2 ARG B 78 -0.435 10.235 -3.647 1.00 1.22 H new ATOM 0 HD3 ARG B 78 0.882 9.716 -4.680 1.00 1.22 H new ATOM 0 HE ARG B 78 -1.541 9.811 -6.233 1.00 2.14 H new ATOM 0 HH11 ARG B 78 0.695 11.971 -4.554 1.00 3.54 H new ATOM 0 HH12 ARG B 78 0.480 13.300 -5.699 1.00 3.54 H new ATOM 0 HH21 ARG B 78 -1.760 11.533 -7.786 1.00 4.22 H new ATOM 0 HH22 ARG B 78 -0.902 13.053 -7.517 1.00 4.22 H new ATOM 2906 N LEU B 79 -4.573 6.210 -3.575 1.00 0.89 N ATOM 2907 CA LEU B 79 -6.008 6.075 -3.362 1.00 0.93 C ATOM 2908 C LEU B 79 -6.326 5.043 -2.270 1.00 0.80 C ATOM 2909 O LEU B 79 -6.921 5.408 -1.252 1.00 0.66 O ATOM 2910 CB LEU B 79 -6.719 5.838 -4.704 1.00 0.98 C ATOM 2911 CG LEU B 79 -8.263 5.902 -4.724 1.00 2.38 C ATOM 2912 CD1 LEU B 79 -8.688 6.172 -6.171 1.00 4.18 C ATOM 2913 CD2 LEU B 79 -8.916 4.617 -4.200 1.00 3.86 C ATOM 0 H LEU B 79 -4.275 6.004 -4.529 1.00 0.89 H new ATOM 0 HA LEU B 79 -6.410 7.009 -2.969 1.00 0.93 H new ATOM 0 HB2 LEU B 79 -6.344 6.574 -5.416 1.00 0.98 H new ATOM 0 HB3 LEU B 79 -6.420 4.857 -5.073 1.00 0.98 H new ATOM 0 HG LEU B 79 -8.597 6.697 -4.057 1.00 2.38 H new ATOM 0 HD11 LEU B 79 -9.775 6.224 -6.227 1.00 4.18 H new ATOM 0 HD12 LEU B 79 -8.261 7.118 -6.505 1.00 4.18 H new ATOM 0 HD13 LEU B 79 -8.330 5.366 -6.812 1.00 4.18 H new ATOM 0 HD21 LEU B 79 -10.001 4.719 -4.237 1.00 3.86 H new ATOM 0 HD22 LEU B 79 -8.609 3.774 -4.819 1.00 3.86 H new ATOM 0 HD23 LEU B 79 -8.603 4.443 -3.170 1.00 3.86 H new ATOM 2925 N ILE B 80 -5.943 3.764 -2.426 1.00 0.90 N ATOM 2926 CA ILE B 80 -6.232 2.808 -1.348 1.00 0.82 C ATOM 2927 C ILE B 80 -5.533 3.240 -0.052 1.00 0.80 C ATOM 2928 O ILE B 80 -6.014 2.992 1.052 1.00 0.73 O ATOM 2929 CB ILE B 80 -5.942 1.337 -1.712 1.00 0.78 C ATOM 2930 CG1 ILE B 80 -4.475 0.947 -1.518 1.00 0.80 C ATOM 2931 CG2 ILE B 80 -6.386 1.022 -3.134 1.00 0.86 C ATOM 2932 CD1 ILE B 80 -4.172 -0.532 -1.763 1.00 0.88 C ATOM 0 H ILE B 80 -5.460 3.385 -3.240 1.00 0.90 H new ATOM 0 HA ILE B 80 -7.310 2.835 -1.188 1.00 0.82 H new ATOM 0 HB ILE B 80 -6.527 0.737 -1.015 1.00 0.78 H new ATOM 0 HG12 ILE B 80 -3.861 1.546 -2.190 1.00 0.80 H new ATOM 0 HG13 ILE B 80 -4.176 1.202 -0.501 1.00 0.80 H new ATOM 0 HG21 ILE B 80 -6.168 -0.022 -3.360 1.00 0.86 H new ATOM 0 HG22 ILE B 80 -7.458 1.198 -3.228 1.00 0.86 H new ATOM 0 HG23 ILE B 80 -5.850 1.664 -3.833 1.00 0.86 H new ATOM 0 HD11 ILE B 80 -3.110 -0.717 -1.603 1.00 0.88 H new ATOM 0 HD12 ILE B 80 -4.755 -1.142 -1.073 1.00 0.88 H new ATOM 0 HD13 ILE B 80 -4.435 -0.792 -2.788 1.00 0.88 H new ATOM 2944 N GLY B 81 -4.388 3.903 -0.200 1.00 0.90 N ATOM 2945 CA GLY B 81 -3.669 4.534 0.880 1.00 0.95 C ATOM 2946 C GLY B 81 -4.540 5.445 1.718 1.00 0.81 C ATOM 2947 O GLY B 81 -4.533 5.319 2.944 1.00 0.84 O ATOM 0 H GLY B 81 -3.930 4.013 -1.105 1.00 0.90 H new ATOM 0 HA2 GLY B 81 -3.237 3.765 1.520 1.00 0.95 H new ATOM 0 HA3 GLY B 81 -2.840 5.110 0.469 1.00 0.95 H new ATOM 2951 N GLU B 82 -5.291 6.363 1.103 1.00 0.70 N ATOM 2952 CA GLU B 82 -6.174 7.146 1.933 1.00 0.53 C ATOM 2953 C GLU B 82 -7.284 6.235 2.444 1.00 0.53 C ATOM 2954 O GLU B 82 -7.652 6.390 3.595 1.00 0.59 O ATOM 2955 CB GLU B 82 -6.770 8.333 1.209 1.00 0.63 C ATOM 2956 CG GLU B 82 -5.880 9.565 1.007 1.00 0.83 C ATOM 2957 CD GLU B 82 -5.194 9.593 -0.343 1.00 1.64 C ATOM 2958 OE1 GLU B 82 -5.991 9.624 -1.309 1.00 2.80 O ATOM 2959 OE2 GLU B 82 -3.940 9.653 -0.368 1.00 2.87 O ATOM 0 H GLU B 82 -5.302 6.566 0.103 1.00 0.70 H new ATOM 0 HA GLU B 82 -5.589 7.554 2.757 1.00 0.53 H new ATOM 0 HB2 GLU B 82 -7.102 7.995 0.228 1.00 0.63 H new ATOM 0 HB3 GLU B 82 -7.659 8.647 1.756 1.00 0.63 H new ATOM 0 HG2 GLU B 82 -6.486 10.464 1.118 1.00 0.83 H new ATOM 0 HG3 GLU B 82 -5.124 9.591 1.792 1.00 0.83 H new ATOM 2966 N LEU B 83 -7.800 5.281 1.659 1.00 0.51 N ATOM 2967 CA LEU B 83 -8.829 4.362 2.137 1.00 0.54 C ATOM 2968 C LEU B 83 -8.444 3.776 3.508 1.00 0.56 C ATOM 2969 O LEU B 83 -9.198 3.902 4.476 1.00 0.57 O ATOM 2970 CB LEU B 83 -9.094 3.275 1.089 1.00 0.59 C ATOM 2971 CG LEU B 83 -10.533 2.746 1.080 1.00 1.12 C ATOM 2972 CD1 LEU B 83 -10.553 1.471 0.236 1.00 2.01 C ATOM 2973 CD2 LEU B 83 -11.068 2.430 2.475 1.00 2.42 C ATOM 0 H LEU B 83 -7.519 5.129 0.690 1.00 0.51 H new ATOM 0 HA LEU B 83 -9.760 4.910 2.281 1.00 0.54 H new ATOM 0 HB2 LEU B 83 -8.859 3.673 0.102 1.00 0.59 H new ATOM 0 HB3 LEU B 83 -8.414 2.442 1.266 1.00 0.59 H new ATOM 0 HG LEU B 83 -11.176 3.524 0.669 1.00 1.12 H new ATOM 0 HD11 LEU B 83 -11.565 1.068 0.209 1.00 2.01 H new ATOM 0 HD12 LEU B 83 -10.227 1.701 -0.778 1.00 2.01 H new ATOM 0 HD13 LEU B 83 -9.881 0.734 0.675 1.00 2.01 H new ATOM 0 HD21 LEU B 83 -12.090 2.060 2.397 1.00 2.42 H new ATOM 0 HD22 LEU B 83 -10.442 1.670 2.941 1.00 2.42 H new ATOM 0 HD23 LEU B 83 -11.054 3.334 3.083 1.00 2.42 H new ATOM 2985 N ALA B 84 -7.234 3.205 3.627 1.00 0.65 N ATOM 2986 CA ALA B 84 -6.705 2.749 4.912 1.00 0.72 C ATOM 2987 C ALA B 84 -6.811 3.794 6.042 1.00 0.76 C ATOM 2988 O ALA B 84 -6.908 3.423 7.211 1.00 0.87 O ATOM 2989 CB ALA B 84 -5.254 2.296 4.726 1.00 0.83 C ATOM 0 H ALA B 84 -6.604 3.050 2.840 1.00 0.65 H new ATOM 0 HA ALA B 84 -7.328 1.914 5.234 1.00 0.72 H new ATOM 0 HB1 ALA B 84 -4.854 1.955 5.681 1.00 0.83 H new ATOM 0 HB2 ALA B 84 -5.217 1.480 4.005 1.00 0.83 H new ATOM 0 HB3 ALA B 84 -4.656 3.131 4.360 1.00 0.83 H new ATOM 2995 N LYS B 85 -6.731 5.089 5.731 1.00 0.78 N ATOM 2996 CA LYS B 85 -6.891 6.207 6.658 1.00 0.93 C ATOM 2997 C LYS B 85 -8.372 6.549 6.923 1.00 0.88 C ATOM 2998 O LYS B 85 -8.749 6.817 8.063 1.00 1.06 O ATOM 2999 CB LYS B 85 -6.132 7.409 6.070 1.00 1.23 C ATOM 3000 CG LYS B 85 -5.806 8.500 7.091 1.00 1.31 C ATOM 3001 CD LYS B 85 -5.235 9.744 6.385 1.00 1.53 C ATOM 3002 CE LYS B 85 -5.689 11.062 7.026 1.00 2.08 C ATOM 3003 NZ LYS B 85 -7.115 11.345 6.760 1.00 2.90 N ATOM 0 H LYS B 85 -6.543 5.400 4.778 1.00 0.78 H new ATOM 0 HA LYS B 85 -6.480 5.933 7.630 1.00 0.93 H new ATOM 0 HB2 LYS B 85 -5.203 7.055 5.623 1.00 1.23 H new ATOM 0 HB3 LYS B 85 -6.727 7.844 5.267 1.00 1.23 H new ATOM 0 HG2 LYS B 85 -6.706 8.769 7.645 1.00 1.31 H new ATOM 0 HG3 LYS B 85 -5.086 8.124 7.817 1.00 1.31 H new ATOM 0 HD2 LYS B 85 -4.146 9.695 6.401 1.00 1.53 H new ATOM 0 HD3 LYS B 85 -5.539 9.732 5.338 1.00 1.53 H new ATOM 0 HE2 LYS B 85 -5.523 11.018 8.102 1.00 2.08 H new ATOM 0 HE3 LYS B 85 -5.079 11.880 6.643 1.00 2.08 H new ATOM 0 HZ1 LYS B 85 -7.461 12.054 7.438 1.00 2.90 H new ATOM 0 HZ2 LYS B 85 -7.222 11.710 5.792 1.00 2.90 H new ATOM 0 HZ3 LYS B 85 -7.668 10.470 6.863 1.00 2.90 H new ATOM 3017 N GLU B 86 -9.180 6.610 5.858 1.00 0.76 N ATOM 3018 CA GLU B 86 -10.600 6.949 5.814 1.00 0.85 C ATOM 3019 C GLU B 86 -11.367 6.113 6.841 1.00 0.95 C ATOM 3020 O GLU B 86 -12.066 6.678 7.682 1.00 1.23 O ATOM 3021 CB GLU B 86 -11.077 6.800 4.356 1.00 0.84 C ATOM 3022 CG GLU B 86 -10.458 7.911 3.486 1.00 1.35 C ATOM 3023 CD GLU B 86 -10.619 7.724 1.977 1.00 1.60 C ATOM 3024 OE1 GLU B 86 -11.562 7.018 1.574 1.00 2.17 O ATOM 3025 OE2 GLU B 86 -9.799 8.321 1.237 1.00 2.67 O ATOM 0 H GLU B 86 -8.822 6.405 4.925 1.00 0.76 H new ATOM 0 HA GLU B 86 -10.791 7.983 6.103 1.00 0.85 H new ATOM 0 HB2 GLU B 86 -10.792 5.822 3.969 1.00 0.84 H new ATOM 0 HB3 GLU B 86 -12.165 6.855 4.312 1.00 0.84 H new ATOM 0 HG2 GLU B 86 -10.907 8.863 3.768 1.00 1.35 H new ATOM 0 HG3 GLU B 86 -9.395 7.980 3.716 1.00 1.35 H new ATOM 3032 N ILE B 87 -11.183 4.794 6.824 1.00 0.93 N ATOM 3033 CA ILE B 87 -11.748 3.857 7.775 1.00 1.13 C ATOM 3034 C ILE B 87 -10.879 3.866 9.046 1.00 1.47 C ATOM 3035 O ILE B 87 -9.694 3.524 9.044 1.00 1.75 O ATOM 3036 CB ILE B 87 -11.901 2.477 7.099 1.00 1.24 C ATOM 3037 CG1 ILE B 87 -13.003 1.602 7.728 1.00 1.48 C ATOM 3038 CG2 ILE B 87 -10.578 1.714 6.952 1.00 1.76 C ATOM 3039 CD1 ILE B 87 -12.894 1.378 9.239 1.00 2.25 C ATOM 0 H ILE B 87 -10.611 4.336 6.114 1.00 0.93 H new ATOM 0 HA ILE B 87 -12.752 4.141 8.090 1.00 1.13 H new ATOM 0 HB ILE B 87 -12.233 2.708 6.087 1.00 1.24 H new ATOM 0 HG12 ILE B 87 -13.969 2.060 7.516 1.00 1.48 H new ATOM 0 HG13 ILE B 87 -12.995 0.630 7.234 1.00 1.48 H new ATOM 0 HG21 ILE B 87 -10.763 0.754 6.469 1.00 1.76 H new ATOM 0 HG22 ILE B 87 -9.887 2.298 6.345 1.00 1.76 H new ATOM 0 HG23 ILE B 87 -10.143 1.547 7.937 1.00 1.76 H new ATOM 0 HD11 ILE B 87 -13.719 0.750 9.574 1.00 2.25 H new ATOM 0 HD12 ILE B 87 -11.948 0.887 9.467 1.00 2.25 H new ATOM 0 HD13 ILE B 87 -12.937 2.338 9.753 1.00 2.25 H new ATOM 3051 N ARG B 88 -11.476 4.285 10.165 1.00 1.62 N ATOM 3052 CA ARG B 88 -10.796 4.543 11.426 1.00 2.09 C ATOM 3053 C ARG B 88 -10.613 3.206 12.151 1.00 2.24 C ATOM 3054 O ARG B 88 -11.224 2.957 13.188 1.00 2.50 O ATOM 3055 CB ARG B 88 -11.649 5.545 12.227 1.00 2.31 C ATOM 3056 CG ARG B 88 -10.943 6.167 13.440 1.00 2.83 C ATOM 3057 CD ARG B 88 -10.068 7.366 13.046 1.00 3.15 C ATOM 3058 NE ARG B 88 -9.562 8.066 14.242 1.00 4.20 N ATOM 3059 CZ ARG B 88 -9.069 9.317 14.263 1.00 5.10 C ATOM 3060 NH1 ARG B 88 -8.924 9.997 13.120 1.00 5.42 N ATOM 3061 NH2 ARG B 88 -8.727 9.884 15.426 1.00 6.21 N ATOM 0 H ARG B 88 -12.480 4.458 10.214 1.00 1.62 H new ATOM 0 HA ARG B 88 -9.808 4.981 11.287 1.00 2.09 H new ATOM 0 HB2 ARG B 88 -11.966 6.346 11.559 1.00 2.31 H new ATOM 0 HB3 ARG B 88 -12.552 5.039 12.570 1.00 2.31 H new ATOM 0 HG2 ARG B 88 -11.688 6.486 14.168 1.00 2.83 H new ATOM 0 HG3 ARG B 88 -10.325 5.412 13.926 1.00 2.83 H new ATOM 0 HD2 ARG B 88 -9.230 7.025 12.438 1.00 3.15 H new ATOM 0 HD3 ARG B 88 -10.646 8.057 12.433 1.00 3.15 H new ATOM 0 HE ARG B 88 -9.588 7.559 15.127 1.00 4.20 H new ATOM 0 HH11 ARG B 88 -9.187 9.567 12.234 1.00 5.42 H new ATOM 0 HH12 ARG B 88 -8.550 10.946 13.135 1.00 5.42 H new ATOM 0 HH21 ARG B 88 -8.840 9.367 16.298 1.00 6.21 H new ATOM 0 HH22 ARG B 88 -8.353 10.833 15.440 1.00 6.21 H new ATOM 3075 N LYS B 89 -9.799 2.323 11.574 1.00 2.19 N ATOM 3076 CA LYS B 89 -9.799 0.905 11.923 1.00 2.24 C ATOM 3077 C LYS B 89 -9.188 0.594 13.300 1.00 2.48 C ATOM 3078 O LYS B 89 -9.406 -0.491 13.837 1.00 2.51 O ATOM 3079 CB LYS B 89 -9.202 0.087 10.764 1.00 2.19 C ATOM 3080 CG LYS B 89 -7.711 -0.283 10.878 1.00 2.83 C ATOM 3081 CD LYS B 89 -7.006 -0.500 9.529 1.00 2.44 C ATOM 3082 CE LYS B 89 -6.907 0.726 8.606 1.00 3.56 C ATOM 3083 NZ LYS B 89 -6.184 1.867 9.205 1.00 5.63 N ATOM 0 H LYS B 89 -9.122 2.571 10.852 1.00 2.19 H new ATOM 0 HA LYS B 89 -10.835 0.592 12.051 1.00 2.24 H new ATOM 0 HB2 LYS B 89 -9.775 -0.835 10.667 1.00 2.19 H new ATOM 0 HB3 LYS B 89 -9.344 0.650 9.841 1.00 2.19 H new ATOM 0 HG2 LYS B 89 -7.193 0.507 11.422 1.00 2.83 H new ATOM 0 HG3 LYS B 89 -7.619 -1.192 11.473 1.00 2.83 H new ATOM 0 HD2 LYS B 89 -5.997 -0.863 9.725 1.00 2.44 H new ATOM 0 HD3 LYS B 89 -7.530 -1.291 8.992 1.00 2.44 H new ATOM 0 HE2 LYS B 89 -6.406 0.435 7.683 1.00 3.56 H new ATOM 0 HE3 LYS B 89 -7.913 1.047 8.335 1.00 3.56 H new ATOM 0 HZ1 LYS B 89 -6.068 2.617 8.493 1.00 5.63 H new ATOM 0 HZ2 LYS B 89 -6.726 2.236 10.012 1.00 5.63 H new ATOM 0 HZ3 LYS B 89 -5.248 1.552 9.532 1.00 5.63 H new ATOM 3097 N LYS B 90 -8.396 1.521 13.856 1.00 2.76 N ATOM 3098 CA LYS B 90 -7.558 1.337 15.043 1.00 3.15 C ATOM 3099 C LYS B 90 -6.497 0.264 14.769 1.00 2.62 C ATOM 3100 O LYS B 90 -5.326 0.581 14.538 1.00 3.20 O ATOM 3101 CB LYS B 90 -8.367 1.016 16.323 1.00 4.04 C ATOM 3102 CG LYS B 90 -9.088 2.205 16.979 1.00 5.24 C ATOM 3103 CD LYS B 90 -10.317 2.743 16.228 1.00 6.33 C ATOM 3104 CE LYS B 90 -11.431 1.718 15.947 1.00 6.94 C ATOM 3105 NZ LYS B 90 -11.958 1.075 17.168 1.00 8.16 N ATOM 0 H LYS B 90 -8.321 2.462 13.471 1.00 2.76 H new ATOM 0 HA LYS B 90 -7.067 2.290 15.241 1.00 3.15 H new ATOM 0 HB2 LYS B 90 -9.109 0.256 16.079 1.00 4.04 H new ATOM 0 HB3 LYS B 90 -7.690 0.577 17.056 1.00 4.04 H new ATOM 0 HG2 LYS B 90 -9.400 1.908 17.980 1.00 5.24 H new ATOM 0 HG3 LYS B 90 -8.373 3.019 17.096 1.00 5.24 H new ATOM 0 HD2 LYS B 90 -10.742 3.564 16.806 1.00 6.33 H new ATOM 0 HD3 LYS B 90 -9.985 3.160 15.277 1.00 6.33 H new ATOM 0 HE2 LYS B 90 -12.249 2.215 15.425 1.00 6.94 H new ATOM 0 HE3 LYS B 90 -11.046 0.949 15.277 1.00 6.94 H new ATOM 0 HZ1 LYS B 90 -12.703 0.397 16.909 1.00 8.16 H new ATOM 0 HZ2 LYS B 90 -11.189 0.574 17.656 1.00 8.16 H new ATOM 0 HZ3 LYS B 90 -12.354 1.801 17.799 1.00 8.16 H new ATOM 3119 N LYS B 91 -6.935 -0.998 14.789 1.00 2.57 N ATOM 3120 CA LYS B 91 -6.141 -2.187 14.516 1.00 3.54 C ATOM 3121 C LYS B 91 -7.018 -3.363 14.065 1.00 3.39 C ATOM 3122 O LYS B 91 -6.599 -4.144 13.217 1.00 4.09 O ATOM 3123 CB LYS B 91 -5.245 -2.558 15.717 1.00 4.95 C ATOM 3124 CG LYS B 91 -5.881 -3.392 16.849 1.00 5.10 C ATOM 3125 CD LYS B 91 -6.951 -2.642 17.658 1.00 5.06 C ATOM 3126 CE LYS B 91 -7.450 -3.452 18.869 1.00 5.62 C ATOM 3127 NZ LYS B 91 -8.167 -4.692 18.492 1.00 6.30 N ATOM 0 H LYS B 91 -7.905 -1.224 15.008 1.00 2.57 H new ATOM 0 HA LYS B 91 -5.477 -1.952 13.684 1.00 3.54 H new ATOM 0 HB2 LYS B 91 -4.384 -3.108 15.337 1.00 4.95 H new ATOM 0 HB3 LYS B 91 -4.866 -1.633 16.152 1.00 4.95 H new ATOM 0 HG2 LYS B 91 -6.329 -4.288 16.418 1.00 5.10 H new ATOM 0 HG3 LYS B 91 -5.095 -3.723 17.527 1.00 5.10 H new ATOM 0 HD2 LYS B 91 -6.542 -1.693 18.004 1.00 5.06 H new ATOM 0 HD3 LYS B 91 -7.795 -2.408 17.009 1.00 5.06 H new ATOM 0 HE2 LYS B 91 -6.599 -3.710 19.499 1.00 5.62 H new ATOM 0 HE3 LYS B 91 -8.112 -2.826 19.468 1.00 5.62 H new ATOM 0 HZ1 LYS B 91 -8.327 -5.272 19.340 1.00 6.30 H new ATOM 0 HZ2 LYS B 91 -9.082 -4.447 18.063 1.00 6.30 H new ATOM 0 HZ3 LYS B 91 -7.596 -5.229 17.808 1.00 6.30 H new ATOM 3141 N ASP B 92 -8.220 -3.510 14.639 1.00 2.93 N ATOM 3142 CA ASP B 92 -9.106 -4.625 14.373 1.00 3.00 C ATOM 3143 C ASP B 92 -10.134 -4.120 13.384 1.00 2.52 C ATOM 3144 O ASP B 92 -11.169 -3.562 13.748 1.00 3.14 O ATOM 3145 CB ASP B 92 -9.744 -5.144 15.659 1.00 3.73 C ATOM 3146 CG ASP B 92 -10.841 -6.173 15.394 1.00 4.23 C ATOM 3147 OD1 ASP B 92 -11.048 -6.547 14.215 1.00 5.10 O ATOM 3148 OD2 ASP B 92 -11.437 -6.572 16.414 1.00 4.93 O ATOM 0 H ASP B 92 -8.599 -2.841 15.310 1.00 2.93 H new ATOM 0 HA ASP B 92 -8.565 -5.475 13.958 1.00 3.00 H new ATOM 0 HB2 ASP B 92 -8.974 -5.592 16.287 1.00 3.73 H new ATOM 0 HB3 ASP B 92 -10.163 -4.306 16.217 1.00 3.73 H new ATOM 3153 N LEU B 93 -9.772 -4.281 12.121 1.00 2.08 N ATOM 3154 CA LEU B 93 -10.668 -4.136 10.999 1.00 1.89 C ATOM 3155 C LEU B 93 -11.517 -5.399 10.777 1.00 1.77 C ATOM 3156 O LEU B 93 -12.573 -5.322 10.151 1.00 1.83 O ATOM 3157 CB LEU B 93 -9.879 -3.650 9.772 1.00 2.54 C ATOM 3158 CG LEU B 93 -8.870 -4.588 9.085 1.00 1.90 C ATOM 3159 CD1 LEU B 93 -8.012 -5.440 10.032 1.00 1.96 C ATOM 3160 CD2 LEU B 93 -9.573 -5.441 8.020 1.00 2.85 C ATOM 0 H LEU B 93 -8.820 -4.523 11.847 1.00 2.08 H new ATOM 0 HA LEU B 93 -11.409 -3.365 11.209 1.00 1.89 H new ATOM 0 HB2 LEU B 93 -10.606 -3.348 9.018 1.00 2.54 H new ATOM 0 HB3 LEU B 93 -9.337 -2.753 10.070 1.00 2.54 H new ATOM 0 HG LEU B 93 -8.145 -3.933 8.603 1.00 1.90 H new ATOM 0 HD11 LEU B 93 -7.336 -6.064 9.448 1.00 1.96 H new ATOM 0 HD12 LEU B 93 -7.431 -4.787 10.683 1.00 1.96 H new ATOM 0 HD13 LEU B 93 -8.659 -6.074 10.638 1.00 1.96 H new ATOM 0 HD21 LEU B 93 -8.847 -6.099 7.543 1.00 2.85 H new ATOM 0 HD22 LEU B 93 -10.352 -6.041 8.490 1.00 2.85 H new ATOM 0 HD23 LEU B 93 -10.020 -4.790 7.269 1.00 2.85 H new ATOM 3172 N LYS B 94 -11.082 -6.559 11.296 1.00 1.78 N ATOM 3173 CA LYS B 94 -11.771 -7.836 11.111 1.00 1.78 C ATOM 3174 C LYS B 94 -13.142 -7.800 11.769 1.00 1.90 C ATOM 3175 O LYS B 94 -14.054 -8.468 11.309 1.00 2.11 O ATOM 3176 CB LYS B 94 -10.917 -9.025 11.608 1.00 1.92 C ATOM 3177 CG LYS B 94 -10.269 -9.901 10.521 1.00 2.56 C ATOM 3178 CD LYS B 94 -9.704 -9.160 9.300 1.00 4.28 C ATOM 3179 CE LYS B 94 -8.175 -9.121 9.250 1.00 5.41 C ATOM 3180 NZ LYS B 94 -7.584 -10.403 8.820 1.00 6.07 N ATOM 0 H LYS B 94 -10.235 -6.632 11.859 1.00 1.78 H new ATOM 0 HA LYS B 94 -11.919 -7.991 10.042 1.00 1.78 H new ATOM 0 HB2 LYS B 94 -10.126 -8.634 12.249 1.00 1.92 H new ATOM 0 HB3 LYS B 94 -11.546 -9.661 12.230 1.00 1.92 H new ATOM 0 HG2 LYS B 94 -9.462 -10.473 10.978 1.00 2.56 H new ATOM 0 HG3 LYS B 94 -11.011 -10.619 10.173 1.00 2.56 H new ATOM 0 HD2 LYS B 94 -10.075 -9.638 8.394 1.00 4.28 H new ATOM 0 HD3 LYS B 94 -10.084 -8.138 9.300 1.00 4.28 H new ATOM 0 HE2 LYS B 94 -7.858 -8.333 8.567 1.00 5.41 H new ATOM 0 HE3 LYS B 94 -7.790 -8.861 10.236 1.00 5.41 H new ATOM 0 HZ1 LYS B 94 -6.547 -10.319 8.804 1.00 6.07 H new ATOM 0 HZ2 LYS B 94 -7.861 -11.153 9.485 1.00 6.07 H new ATOM 0 HZ3 LYS B 94 -7.927 -10.641 7.867 1.00 6.07 H new ATOM 3194 N ILE B 95 -13.354 -6.970 12.784 1.00 1.95 N ATOM 3195 CA ILE B 95 -14.704 -6.731 13.271 1.00 2.18 C ATOM 3196 C ILE B 95 -15.711 -6.317 12.187 1.00 2.27 C ATOM 3197 O ILE B 95 -16.919 -6.421 12.406 1.00 2.60 O ATOM 3198 CB ILE B 95 -14.645 -5.787 14.481 1.00 2.27 C ATOM 3199 CG1 ILE B 95 -15.885 -5.943 15.371 1.00 2.77 C ATOM 3200 CG2 ILE B 95 -14.440 -4.334 14.029 1.00 3.67 C ATOM 3201 CD1 ILE B 95 -15.630 -5.338 16.750 1.00 3.42 C ATOM 0 H ILE B 95 -12.621 -6.460 13.277 1.00 1.95 H new ATOM 0 HA ILE B 95 -15.115 -7.684 13.605 1.00 2.18 H new ATOM 0 HB ILE B 95 -13.783 -6.065 15.088 1.00 2.27 H new ATOM 0 HG12 ILE B 95 -16.739 -5.453 14.904 1.00 2.77 H new ATOM 0 HG13 ILE B 95 -16.138 -6.998 15.471 1.00 2.77 H new ATOM 0 HG21 ILE B 95 -14.401 -3.683 14.903 1.00 3.67 H new ATOM 0 HG22 ILE B 95 -13.505 -4.254 13.475 1.00 3.67 H new ATOM 0 HG23 ILE B 95 -15.268 -4.032 13.388 1.00 3.67 H new ATOM 0 HD11 ILE B 95 -16.519 -5.457 17.369 1.00 3.42 H new ATOM 0 HD12 ILE B 95 -14.789 -5.847 17.221 1.00 3.42 H new ATOM 0 HD13 ILE B 95 -15.400 -4.278 16.645 1.00 3.42 H new ATOM 3213 N ARG B 96 -15.246 -5.856 11.017 1.00 2.07 N ATOM 3214 CA ARG B 96 -16.038 -5.913 9.794 1.00 1.94 C ATOM 3215 C ARG B 96 -17.038 -4.755 9.786 1.00 2.37 C ATOM 3216 O ARG B 96 -16.723 -3.690 9.258 1.00 3.44 O ATOM 3217 CB ARG B 96 -16.681 -7.302 9.647 1.00 1.90 C ATOM 3218 CG ARG B 96 -17.117 -7.632 8.220 1.00 2.23 C ATOM 3219 CD ARG B 96 -18.269 -8.635 8.333 1.00 2.36 C ATOM 3220 NE ARG B 96 -17.932 -9.784 9.207 1.00 2.89 N ATOM 3221 CZ ARG B 96 -18.795 -10.448 9.990 1.00 3.50 C ATOM 3222 NH1 ARG B 96 -20.103 -10.193 9.934 1.00 3.31 N ATOM 3223 NH2 ARG B 96 -18.318 -11.352 10.845 1.00 5.13 N ATOM 0 H ARG B 96 -14.322 -5.440 10.899 1.00 2.07 H new ATOM 0 HA ARG B 96 -15.408 -5.785 8.914 1.00 1.94 H new ATOM 0 HB2 ARG B 96 -15.972 -8.058 9.984 1.00 1.90 H new ATOM 0 HB3 ARG B 96 -17.548 -7.362 10.305 1.00 1.90 H new ATOM 0 HG2 ARG B 96 -17.437 -6.732 7.695 1.00 2.23 H new ATOM 0 HG3 ARG B 96 -16.290 -8.055 7.651 1.00 2.23 H new ATOM 0 HD2 ARG B 96 -19.151 -8.129 8.726 1.00 2.36 H new ATOM 0 HD3 ARG B 96 -18.528 -9.001 7.339 1.00 2.36 H new ATOM 0 HE ARG B 96 -16.961 -10.096 9.213 1.00 2.89 H new ATOM 0 HH11 ARG B 96 -20.458 -9.486 9.290 1.00 3.31 H new ATOM 0 HH12 ARG B 96 -20.749 -10.705 10.535 1.00 3.31 H new ATOM 0 HH21 ARG B 96 -17.314 -11.527 10.895 1.00 5.13 H new ATOM 0 HH22 ARG B 96 -18.956 -11.869 11.450 1.00 5.13 H new