USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 968 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 LYS NZ :NH3+ -112:sc= -0.32 (180deg=-0.143) USER MOD Set 1.2: A 114 LYS NZ :NH3+ -105:sc= -0.163 (180deg=-0.0215) USER MOD Set 2.1: A 68 LYS NZ :NH3+ -111:sc= 1.15 (180deg=0.308) USER MOD Set 2.2: A 120 TYR OH : rot -32:sc= 1.28 USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 16 SER OG : rot 93:sc= -0.236 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0169 (180deg=-0.265) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.301 (180deg=0.0848) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0169 USER MOD Single : A 14 THR OG1 : rot -90:sc= -1.43 USER MOD Single : A 18 SER OG : rot -65:sc= 0.753 USER MOD Single : A 26 TYR OH : rot 180:sc=-0.00172 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 30 THR OG1 : rot 90:sc= -4.2! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -157:sc= 0.194 (180deg=0.0717) USER MOD Single : A 40 LYS NZ :NH3+ -128:sc= 1.24 (180deg=-1.08) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.14 X(o=-1.1,f=-0.96) USER MOD Single : A 71 SER OG : rot 49:sc= 0.0702 USER MOD Single : A 74 SER OG : rot 141:sc= -1.64 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 82 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.0098) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= -0.0988 (180deg=-0.505) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= -0.0474 (180deg=-0.149) USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00815) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -21:sc= 0.554 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.2!) USER MOD Single : A 121 SER OG : rot 180:sc= 0.00191 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.522 1.598 18.420 1.00 0.00 N ATOM 2 CA MET A 1 -1.389 1.718 17.218 1.00 0.00 C ATOM 3 C MET A 1 -0.605 1.429 15.942 1.00 0.00 C ATOM 4 O MET A 1 0.489 1.956 15.742 1.00 0.00 O ATOM 5 CB MET A 1 -1.970 3.133 17.173 1.00 0.00 C ATOM 6 CG MET A 1 -3.210 3.310 18.034 1.00 0.00 C ATOM 7 SD MET A 1 -2.816 3.728 19.743 1.00 0.00 S ATOM 8 CE MET A 1 -3.347 2.241 20.588 1.00 0.00 C ATOM 0 H1 MET A 1 -0.912 2.180 19.189 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.484 0.604 18.723 1.00 0.00 H new ATOM 0 H3 MET A 1 0.438 1.926 18.190 1.00 0.00 H new ATOM 0 HA MET A 1 -2.193 0.985 17.283 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.207 3.840 17.499 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.216 3.383 16.141 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.835 4.094 17.607 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.795 2.391 18.015 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.864 2.184 21.563 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.429 2.264 20.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.072 1.368 19.996 1.00 0.00 H new ATOM 20 N LYS A 2 -1.171 0.591 15.081 1.00 0.00 N ATOM 21 CA LYS A 2 -0.524 0.235 13.823 1.00 0.00 C ATOM 22 C LYS A 2 -1.547 -0.251 12.803 1.00 0.00 C ATOM 23 O LYS A 2 -2.270 -1.218 13.043 1.00 0.00 O ATOM 24 CB LYS A 2 0.537 -0.837 14.059 1.00 0.00 C ATOM 25 CG LYS A 2 1.959 -0.343 13.853 1.00 0.00 C ATOM 26 CD LYS A 2 2.566 0.172 15.150 1.00 0.00 C ATOM 27 CE LYS A 2 4.010 -0.279 15.311 1.00 0.00 C ATOM 28 NZ LYS A 2 4.967 0.850 15.151 1.00 0.00 N ATOM 0 H LYS A 2 -2.076 0.145 15.231 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.042 1.127 13.424 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.437 -1.217 15.076 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.351 -1.674 13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.573 -1.153 13.460 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.964 0.452 13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.520 1.261 15.166 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.977 -0.184 15.995 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.142 -0.730 16.295 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.233 -1.051 14.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.518 0.717 14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.441 1.746 15.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.611 0.877 15.967 1.00 0.00 H new ATOM 42 N ARG A 3 -1.603 0.428 11.663 1.00 0.00 N ATOM 43 CA ARG A 3 -2.539 0.068 10.604 1.00 0.00 C ATOM 44 C ARG A 3 -1.918 0.288 9.229 1.00 0.00 C ATOM 45 O ARG A 3 -1.215 1.271 9.007 1.00 0.00 O ATOM 46 CB ARG A 3 -3.826 0.889 10.728 1.00 0.00 C ATOM 47 CG ARG A 3 -4.261 1.138 12.165 1.00 0.00 C ATOM 48 CD ARG A 3 -3.500 2.299 12.788 1.00 0.00 C ATOM 49 NE ARG A 3 -4.395 3.362 13.238 1.00 0.00 N ATOM 50 CZ ARG A 3 -3.989 4.593 13.545 1.00 0.00 C ATOM 51 NH1 ARG A 3 -2.706 4.919 13.452 1.00 0.00 N ATOM 52 NH2 ARG A 3 -4.870 5.500 13.948 1.00 0.00 N ATOM 0 H ARG A 3 -1.011 1.231 11.448 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.777 -0.990 10.712 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.683 1.848 10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.628 0.372 10.200 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.330 1.348 12.191 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.099 0.237 12.756 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.914 1.937 13.633 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.795 2.702 12.061 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.389 3.149 13.322 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.025 4.225 13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.401 5.863 13.688 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.857 5.254 14.022 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.560 6.443 14.183 1.00 0.00 H new ATOM 66 N VAL A 4 -2.178 -0.634 8.311 1.00 0.00 N ATOM 67 CA VAL A 4 -1.645 -0.538 6.957 1.00 0.00 C ATOM 68 C VAL A 4 -2.754 -0.694 5.918 1.00 0.00 C ATOM 69 O VAL A 4 -3.791 -1.301 6.185 1.00 0.00 O ATOM 70 CB VAL A 4 -0.557 -1.605 6.707 1.00 0.00 C ATOM 71 CG1 VAL A 4 -0.020 -1.512 5.287 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.570 -1.462 7.720 1.00 0.00 C ATOM 0 H VAL A 4 -2.755 -1.458 8.479 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.199 0.452 6.857 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.009 -2.589 6.830 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.745 -2.274 5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.834 -1.670 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.414 -0.525 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.329 -2.221 7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.017 -0.472 7.630 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.173 -1.590 8.727 1.00 0.00 H new ATOM 82 N LEU A 5 -2.529 -0.140 4.730 1.00 0.00 N ATOM 83 CA LEU A 5 -3.507 -0.218 3.651 1.00 0.00 C ATOM 84 C LEU A 5 -2.959 -1.028 2.480 1.00 0.00 C ATOM 85 O LEU A 5 -1.814 -0.844 2.070 1.00 0.00 O ATOM 86 CB LEU A 5 -3.890 1.187 3.181 1.00 0.00 C ATOM 87 CG LEU A 5 -5.021 1.243 2.153 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.315 0.727 2.758 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.201 2.663 1.634 1.00 0.00 C ATOM 0 H LEU A 5 -1.677 0.368 4.491 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.396 -0.720 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.181 1.777 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.008 1.663 2.753 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.755 0.602 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.109 0.774 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.180 -0.306 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.586 1.342 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.010 2.684 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.445 3.326 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.277 2.998 1.162 1.00 0.00 H new ATOM 101 N VAL A 6 -3.781 -1.929 1.951 1.00 0.00 N ATOM 102 CA VAL A 6 -3.366 -2.771 0.832 1.00 0.00 C ATOM 103 C VAL A 6 -4.259 -2.578 -0.390 1.00 0.00 C ATOM 104 O VAL A 6 -5.367 -3.108 -0.452 1.00 0.00 O ATOM 105 CB VAL A 6 -3.378 -4.261 1.220 1.00 0.00 C ATOM 106 CG1 VAL A 6 -2.699 -5.099 0.148 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.714 -4.468 2.573 1.00 0.00 C ATOM 0 H VAL A 6 -4.733 -2.095 2.276 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.351 -2.465 0.581 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.415 -4.588 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.718 -6.149 0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.227 -4.977 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.665 -4.773 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.733 -5.527 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.681 -4.124 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.252 -3.901 3.333 1.00 0.00 H new ATOM 117 N VAL A 7 -3.763 -1.831 -1.371 1.00 0.00 N ATOM 118 CA VAL A 7 -4.516 -1.589 -2.596 1.00 0.00 C ATOM 119 C VAL A 7 -4.149 -2.615 -3.662 1.00 0.00 C ATOM 120 O VAL A 7 -2.998 -2.689 -4.092 1.00 0.00 O ATOM 121 CB VAL A 7 -4.261 -0.173 -3.149 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.166 0.108 -4.338 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.459 0.869 -2.061 1.00 0.00 C ATOM 0 H VAL A 7 -2.846 -1.384 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.573 -1.680 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.227 -0.117 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.971 1.112 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.968 -0.619 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.208 0.033 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.275 1.862 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.481 0.815 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.763 0.679 -1.244 1.00 0.00 H new ATOM 133 N ASP A 8 -5.129 -3.410 -4.082 1.00 0.00 N ATOM 134 CA ASP A 8 -4.892 -4.432 -5.092 1.00 0.00 C ATOM 135 C ASP A 8 -6.199 -4.848 -5.757 1.00 0.00 C ATOM 136 O ASP A 8 -7.274 -4.679 -5.190 1.00 0.00 O ATOM 137 CB ASP A 8 -4.212 -5.651 -4.461 1.00 0.00 C ATOM 138 CG ASP A 8 -3.957 -6.762 -5.463 1.00 0.00 C ATOM 139 OD1 ASP A 8 -3.726 -6.448 -6.649 1.00 0.00 O ATOM 140 OD2 ASP A 8 -3.986 -7.943 -5.060 1.00 0.00 O ATOM 0 H ASP A 8 -6.089 -3.366 -3.740 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.235 -4.014 -5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.266 -5.344 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.836 -6.032 -3.653 1.00 0.00 H new ATOM 145 N ASP A 9 -6.097 -5.395 -6.962 1.00 0.00 N ATOM 146 CA ASP A 9 -7.270 -5.838 -7.705 1.00 0.00 C ATOM 147 C ASP A 9 -7.597 -7.293 -7.374 1.00 0.00 C ATOM 148 O ASP A 9 -7.769 -8.126 -8.264 1.00 0.00 O ATOM 149 CB ASP A 9 -7.041 -5.661 -9.210 1.00 0.00 C ATOM 150 CG ASP A 9 -8.205 -6.162 -10.043 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.214 -5.434 -10.152 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.108 -7.284 -10.584 1.00 0.00 O ATOM 0 H ASP A 9 -5.212 -5.543 -7.446 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.122 -5.225 -7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.873 -4.606 -9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.136 -6.194 -9.501 1.00 0.00 H new ATOM 157 N GLU A 10 -7.684 -7.586 -6.080 1.00 0.00 N ATOM 158 CA GLU A 10 -7.994 -8.933 -5.615 1.00 0.00 C ATOM 159 C GLU A 10 -9.131 -8.899 -4.596 1.00 0.00 C ATOM 160 O GLU A 10 -9.167 -8.034 -3.723 1.00 0.00 O ATOM 161 CB GLU A 10 -6.753 -9.584 -4.999 1.00 0.00 C ATOM 162 CG GLU A 10 -6.094 -10.613 -5.902 1.00 0.00 C ATOM 163 CD GLU A 10 -5.028 -11.418 -5.186 1.00 0.00 C ATOM 164 OE1 GLU A 10 -4.255 -10.819 -4.408 1.00 0.00 O ATOM 165 OE2 GLU A 10 -4.966 -12.646 -5.402 1.00 0.00 O ATOM 0 H GLU A 10 -7.544 -6.906 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.312 -9.527 -6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.028 -8.807 -4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.032 -10.062 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.855 -11.289 -6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.648 -10.107 -6.759 1.00 0.00 H new ATOM 172 N GLU A 11 -10.059 -9.843 -4.719 1.00 0.00 N ATOM 173 CA GLU A 11 -11.198 -9.915 -3.812 1.00 0.00 C ATOM 174 C GLU A 11 -10.875 -10.767 -2.587 1.00 0.00 C ATOM 175 O GLU A 11 -10.020 -11.651 -2.642 1.00 0.00 O ATOM 176 CB GLU A 11 -12.418 -10.488 -4.536 1.00 0.00 C ATOM 177 CG GLU A 11 -13.276 -9.430 -5.211 1.00 0.00 C ATOM 178 CD GLU A 11 -12.718 -8.994 -6.551 1.00 0.00 C ATOM 179 OE1 GLU A 11 -11.644 -8.356 -6.568 1.00 0.00 O ATOM 180 OE2 GLU A 11 -13.354 -9.291 -7.585 1.00 0.00 O ATOM 0 H GLU A 11 -10.044 -10.567 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.422 -8.903 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.082 -11.204 -5.286 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.030 -11.038 -3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.284 -9.820 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.358 -8.562 -4.556 1.00 0.00 H new ATOM 187 N SER A 12 -11.569 -10.494 -1.487 1.00 0.00 N ATOM 188 CA SER A 12 -11.363 -11.234 -0.247 1.00 0.00 C ATOM 189 C SER A 12 -9.945 -11.038 0.284 1.00 0.00 C ATOM 190 O SER A 12 -9.234 -12.007 0.554 1.00 0.00 O ATOM 191 CB SER A 12 -11.642 -12.723 -0.464 1.00 0.00 C ATOM 192 OG SER A 12 -12.679 -12.915 -1.410 1.00 0.00 O ATOM 0 H SER A 12 -12.280 -9.765 -1.429 1.00 0.00 H new ATOM 0 HA SER A 12 -12.060 -10.845 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.735 -13.220 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.919 -13.186 0.483 1.00 0.00 H new ATOM 0 HG SER A 12 -12.837 -13.874 -1.532 1.00 0.00 H new ATOM 198 N ILE A 13 -9.542 -9.780 0.434 1.00 0.00 N ATOM 199 CA ILE A 13 -8.220 -9.455 0.935 1.00 0.00 C ATOM 200 C ILE A 13 -7.137 -10.089 0.069 1.00 0.00 C ATOM 201 O ILE A 13 -7.416 -10.951 -0.765 1.00 0.00 O ATOM 202 CB ILE A 13 -8.073 -9.948 2.377 1.00 0.00 C ATOM 203 CG1 ILE A 13 -9.213 -9.412 3.247 1.00 0.00 C ATOM 204 CG2 ILE A 13 -6.717 -9.574 2.965 1.00 0.00 C ATOM 205 CD1 ILE A 13 -9.134 -7.923 3.506 1.00 0.00 C ATOM 0 H ILE A 13 -10.119 -8.968 0.213 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.102 -8.372 0.903 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.131 -11.036 2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.164 -9.638 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.208 -9.938 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.651 -9.941 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.924 -10.023 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.605 -8.490 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.975 -7.617 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.200 -7.692 4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.171 -7.386 2.558 1.00 0.00 H new ATOM 217 N THR A 14 -5.902 -9.664 0.281 1.00 0.00 N ATOM 218 CA THR A 14 -4.769 -10.192 -0.466 1.00 0.00 C ATOM 219 C THR A 14 -4.175 -11.396 0.258 1.00 0.00 C ATOM 220 O THR A 14 -3.718 -11.285 1.394 1.00 0.00 O ATOM 221 CB THR A 14 -3.707 -9.108 -0.661 1.00 0.00 C ATOM 222 OG1 THR A 14 -3.024 -8.849 0.552 1.00 0.00 O ATOM 223 CG2 THR A 14 -4.275 -7.794 -1.155 1.00 0.00 C ATOM 0 H THR A 14 -5.657 -8.951 0.968 1.00 0.00 H new ATOM 0 HA THR A 14 -5.118 -10.513 -1.447 1.00 0.00 H new ATOM 0 HB THR A 14 -3.031 -9.502 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.488 -8.140 1.044 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.469 -7.070 -1.272 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.766 -7.948 -2.116 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.000 -7.417 -0.434 1.00 0.00 H new ATOM 231 N SER A 15 -4.198 -12.550 -0.402 1.00 0.00 N ATOM 232 CA SER A 15 -3.673 -13.782 0.184 1.00 0.00 C ATOM 233 C SER A 15 -2.269 -13.582 0.750 1.00 0.00 C ATOM 234 O SER A 15 -1.448 -12.876 0.165 1.00 0.00 O ATOM 235 CB SER A 15 -3.658 -14.899 -0.862 1.00 0.00 C ATOM 236 OG SER A 15 -2.605 -14.713 -1.791 1.00 0.00 O ATOM 0 H SER A 15 -4.575 -12.659 -1.344 1.00 0.00 H new ATOM 0 HA SER A 15 -4.330 -14.063 1.007 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.544 -15.863 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.612 -14.921 -1.389 1.00 0.00 H new ATOM 0 HG SER A 15 -2.616 -15.440 -2.448 1.00 0.00 H new ATOM 242 N SER A 16 -2.006 -14.222 1.892 1.00 0.00 N ATOM 243 CA SER A 16 -0.702 -14.145 2.561 1.00 0.00 C ATOM 244 C SER A 16 -0.597 -12.930 3.484 1.00 0.00 C ATOM 245 O SER A 16 0.238 -12.907 4.387 1.00 0.00 O ATOM 246 CB SER A 16 0.441 -14.118 1.541 1.00 0.00 C ATOM 247 OG SER A 16 0.149 -14.938 0.423 1.00 0.00 O ATOM 0 H SER A 16 -2.686 -14.806 2.378 1.00 0.00 H new ATOM 0 HA SER A 16 -0.615 -15.043 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.612 -13.094 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.362 -14.458 2.014 1.00 0.00 H new ATOM 0 HG SER A 16 -0.277 -14.399 -0.276 1.00 0.00 H new ATOM 253 N LEU A 17 -1.433 -11.920 3.260 1.00 0.00 N ATOM 254 CA LEU A 17 -1.406 -10.716 4.083 1.00 0.00 C ATOM 255 C LEU A 17 -2.285 -10.881 5.318 1.00 0.00 C ATOM 256 O LEU A 17 -1.871 -10.563 6.432 1.00 0.00 O ATOM 257 CB LEU A 17 -1.874 -9.508 3.259 1.00 0.00 C ATOM 258 CG LEU A 17 -0.788 -8.503 2.828 1.00 0.00 C ATOM 259 CD1 LEU A 17 -0.936 -7.195 3.589 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.615 -9.067 3.016 1.00 0.00 C ATOM 0 H LEU A 17 -2.134 -11.911 2.519 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.381 -10.549 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.370 -9.879 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.624 -8.971 3.839 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.928 -8.312 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.160 -6.499 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.916 -6.764 3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.838 -7.383 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.350 -8.327 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.772 -9.309 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.728 -9.969 2.415 1.00 0.00 H new ATOM 272 N SER A 18 -3.502 -11.377 5.114 1.00 0.00 N ATOM 273 CA SER A 18 -4.442 -11.581 6.213 1.00 0.00 C ATOM 274 C SER A 18 -3.791 -12.352 7.358 1.00 0.00 C ATOM 275 O SER A 18 -3.902 -11.966 8.521 1.00 0.00 O ATOM 276 CB SER A 18 -5.682 -12.328 5.719 1.00 0.00 C ATOM 277 OG SER A 18 -6.560 -12.624 6.790 1.00 0.00 O ATOM 0 H SER A 18 -3.861 -11.645 4.198 1.00 0.00 H new ATOM 0 HA SER A 18 -4.740 -10.601 6.586 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.202 -11.724 4.975 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.381 -13.252 5.226 1.00 0.00 H new ATOM 0 HG SER A 18 -6.126 -13.252 7.404 1.00 0.00 H new ATOM 283 N ALA A 19 -3.110 -13.442 7.020 1.00 0.00 N ATOM 284 CA ALA A 19 -2.440 -14.265 8.020 1.00 0.00 C ATOM 285 C ALA A 19 -1.312 -13.493 8.697 1.00 0.00 C ATOM 286 O ALA A 19 -1.204 -13.477 9.924 1.00 0.00 O ATOM 287 CB ALA A 19 -1.902 -15.535 7.380 1.00 0.00 C ATOM 0 H ALA A 19 -3.008 -13.776 6.062 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.170 -14.536 8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.404 -16.141 8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.726 -16.101 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.190 -15.274 6.597 1.00 0.00 H new ATOM 293 N ILE A 20 -0.475 -12.853 7.888 1.00 0.00 N ATOM 294 CA ILE A 20 0.647 -12.075 8.401 1.00 0.00 C ATOM 295 C ILE A 20 0.169 -10.978 9.346 1.00 0.00 C ATOM 296 O ILE A 20 0.381 -11.052 10.555 1.00 0.00 O ATOM 297 CB ILE A 20 1.452 -11.442 7.244 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.144 -12.529 6.426 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.473 -10.444 7.770 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.702 -12.029 5.113 1.00 0.00 C ATOM 0 H ILE A 20 -0.553 -12.858 6.871 1.00 0.00 H new ATOM 0 HA ILE A 20 1.292 -12.759 8.953 1.00 0.00 H new ATOM 0 HB ILE A 20 0.756 -10.905 6.600 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.954 -12.958 7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.434 -13.332 6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.025 -10.014 6.934 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.960 -9.650 8.313 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.167 -10.952 8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.180 -12.853 4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.893 -11.626 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.436 -11.246 5.304 1.00 0.00 H new ATOM 312 N LEU A 21 -0.476 -9.962 8.784 1.00 0.00 N ATOM 313 CA LEU A 21 -0.989 -8.844 9.570 1.00 0.00 C ATOM 314 C LEU A 21 -1.704 -9.330 10.829 1.00 0.00 C ATOM 315 O LEU A 21 -1.676 -8.668 11.867 1.00 0.00 O ATOM 316 CB LEU A 21 -1.942 -8.017 8.716 1.00 0.00 C ATOM 317 CG LEU A 21 -1.317 -7.467 7.436 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.191 -7.778 6.232 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.079 -5.971 7.568 1.00 0.00 C ATOM 0 H LEU A 21 -0.657 -9.889 7.783 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.145 -8.229 9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.802 -8.632 8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.316 -7.184 9.311 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.354 -7.954 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.726 -7.377 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.303 -8.858 6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.172 -7.323 6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.633 -5.591 6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.028 -5.466 7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.405 -5.782 8.403 1.00 0.00 H new ATOM 331 N GLU A 22 -2.341 -10.492 10.728 1.00 0.00 N ATOM 332 CA GLU A 22 -3.063 -11.069 11.855 1.00 0.00 C ATOM 333 C GLU A 22 -2.097 -11.615 12.904 1.00 0.00 C ATOM 334 O GLU A 22 -2.408 -11.631 14.095 1.00 0.00 O ATOM 335 CB GLU A 22 -3.992 -12.182 11.379 1.00 0.00 C ATOM 336 CG GLU A 22 -5.329 -11.679 10.863 1.00 0.00 C ATOM 337 CD GLU A 22 -6.200 -12.796 10.320 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.001 -13.190 9.152 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.082 -13.276 11.064 1.00 0.00 O ATOM 0 H GLU A 22 -2.372 -11.053 9.876 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.658 -10.277 12.311 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.496 -12.745 10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.167 -12.875 12.202 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.857 -11.170 11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.158 -10.942 10.078 1.00 0.00 H new ATOM 346 N GLU A 23 -0.926 -12.056 12.457 1.00 0.00 N ATOM 347 CA GLU A 23 0.080 -12.596 13.359 1.00 0.00 C ATOM 348 C GLU A 23 0.903 -11.471 13.979 1.00 0.00 C ATOM 349 O GLU A 23 1.301 -11.545 15.142 1.00 0.00 O ATOM 350 CB GLU A 23 0.987 -13.572 12.602 1.00 0.00 C ATOM 351 CG GLU A 23 2.270 -13.918 13.338 1.00 0.00 C ATOM 352 CD GLU A 23 2.549 -15.408 13.361 1.00 0.00 C ATOM 353 OE1 GLU A 23 1.745 -16.154 13.960 1.00 0.00 O ATOM 354 OE2 GLU A 23 3.571 -15.830 12.781 1.00 0.00 O ATOM 0 H GLU A 23 -0.652 -12.049 11.475 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.421 -13.133 14.164 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.433 -14.490 12.407 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.240 -13.140 11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.106 -13.404 12.864 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.208 -13.549 14.362 1.00 0.00 H new ATOM 361 N GLU A 24 1.152 -10.428 13.194 1.00 0.00 N ATOM 362 CA GLU A 24 1.925 -9.285 13.664 1.00 0.00 C ATOM 363 C GLU A 24 1.091 -8.413 14.597 1.00 0.00 C ATOM 364 O GLU A 24 1.608 -7.847 15.561 1.00 0.00 O ATOM 365 CB GLU A 24 2.423 -8.455 12.481 1.00 0.00 C ATOM 366 CG GLU A 24 3.576 -9.097 11.729 1.00 0.00 C ATOM 367 CD GLU A 24 4.758 -9.409 12.627 1.00 0.00 C ATOM 368 OE1 GLU A 24 4.950 -8.689 13.628 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.492 -10.375 12.328 1.00 0.00 O ATOM 0 H GLU A 24 0.829 -10.351 12.229 1.00 0.00 H new ATOM 0 HA GLU A 24 2.784 -9.663 14.218 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.596 -8.291 11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.736 -7.475 12.842 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.230 -10.017 11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.899 -8.431 10.929 1.00 0.00 H new ATOM 376 N GLY A 25 -0.201 -8.310 14.305 1.00 0.00 N ATOM 377 CA GLY A 25 -1.086 -7.508 15.125 1.00 0.00 C ATOM 378 C GLY A 25 -1.308 -6.121 14.555 1.00 0.00 C ATOM 379 O GLY A 25 -1.270 -5.129 15.284 1.00 0.00 O ATOM 0 H GLY A 25 -0.651 -8.769 13.513 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.046 -8.015 15.222 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.668 -7.422 16.128 1.00 0.00 H new ATOM 383 N TYR A 26 -1.538 -6.052 13.249 1.00 0.00 N ATOM 384 CA TYR A 26 -1.765 -4.776 12.578 1.00 0.00 C ATOM 385 C TYR A 26 -3.244 -4.568 12.281 1.00 0.00 C ATOM 386 O TYR A 26 -4.089 -5.385 12.649 1.00 0.00 O ATOM 387 CB TYR A 26 -0.980 -4.716 11.266 1.00 0.00 C ATOM 388 CG TYR A 26 0.492 -4.425 11.436 1.00 0.00 C ATOM 389 CD1 TYR A 26 0.962 -3.118 11.460 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.414 -5.456 11.562 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.308 -2.846 11.607 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.763 -5.193 11.708 1.00 0.00 C ATOM 393 CZ TYR A 26 3.204 -3.886 11.730 1.00 0.00 C ATOM 394 OH TYR A 26 4.546 -3.620 11.875 1.00 0.00 O ATOM 0 H TYR A 26 -1.572 -6.864 12.633 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.423 -3.987 13.248 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.093 -5.667 10.745 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.419 -3.949 10.628 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.263 -2.301 11.362 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.071 -6.480 11.546 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.657 -1.824 11.625 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.468 -6.006 11.804 1.00 0.00 H new ATOM 0 HH TYR A 26 5.040 -4.463 11.950 1.00 0.00 H new ATOM 404 N HIS A 27 -3.541 -3.475 11.591 1.00 0.00 N ATOM 405 CA HIS A 27 -4.906 -3.147 11.206 1.00 0.00 C ATOM 406 C HIS A 27 -4.966 -2.913 9.701 1.00 0.00 C ATOM 407 O HIS A 27 -4.917 -1.774 9.234 1.00 0.00 O ATOM 408 CB HIS A 27 -5.396 -1.909 11.963 1.00 0.00 C ATOM 409 CG HIS A 27 -6.718 -2.104 12.637 1.00 0.00 C ATOM 410 ND1 HIS A 27 -6.916 -3.006 13.662 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.916 -1.505 12.431 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.176 -2.954 14.055 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.804 -2.051 13.324 1.00 0.00 N ATOM 0 H HIS A 27 -2.846 -2.794 11.284 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.560 -3.980 11.465 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.653 -1.633 12.711 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.472 -1.074 11.267 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.132 -0.740 11.700 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.618 -3.549 14.841 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.789 -1.800 13.409 1.00 0.00 H new ATOM 422 N PRO A 28 -5.044 -4.001 8.919 1.00 0.00 N ATOM 423 CA PRO A 28 -5.077 -3.926 7.461 1.00 0.00 C ATOM 424 C PRO A 28 -6.466 -3.654 6.899 1.00 0.00 C ATOM 425 O PRO A 28 -7.466 -4.172 7.395 1.00 0.00 O ATOM 426 CB PRO A 28 -4.590 -5.311 7.042 1.00 0.00 C ATOM 427 CG PRO A 28 -5.034 -6.221 8.138 1.00 0.00 C ATOM 428 CD PRO A 28 -5.079 -5.394 9.401 1.00 0.00 C ATOM 0 HA PRO A 28 -4.473 -3.100 7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.018 -5.607 6.084 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.506 -5.331 6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.015 -6.643 7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.345 -7.058 8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.983 -5.594 9.977 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.232 -5.612 10.051 1.00 0.00 H new ATOM 436 N ASP A 29 -6.508 -2.848 5.844 1.00 0.00 N ATOM 437 CA ASP A 29 -7.759 -2.506 5.179 1.00 0.00 C ATOM 438 C ASP A 29 -7.566 -2.580 3.672 1.00 0.00 C ATOM 439 O ASP A 29 -7.630 -1.572 2.971 1.00 0.00 O ATOM 440 CB ASP A 29 -8.219 -1.109 5.588 1.00 0.00 C ATOM 441 CG ASP A 29 -9.694 -0.882 5.316 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.265 -1.620 4.484 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.278 0.031 5.935 1.00 0.00 O ATOM 0 H ASP A 29 -5.683 -2.416 5.428 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.529 -3.217 5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.021 -0.961 6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.634 -0.364 5.048 1.00 0.00 H new ATOM 448 N THR A 30 -7.309 -3.786 3.183 1.00 0.00 N ATOM 449 CA THR A 30 -7.080 -4.007 1.762 1.00 0.00 C ATOM 450 C THR A 30 -8.243 -3.505 0.916 1.00 0.00 C ATOM 451 O THR A 30 -9.407 -3.779 1.210 1.00 0.00 O ATOM 452 CB THR A 30 -6.838 -5.493 1.488 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.059 -6.211 1.502 1.00 0.00 O ATOM 454 CG2 THR A 30 -5.908 -6.145 2.489 1.00 0.00 C ATOM 0 H THR A 30 -7.254 -4.630 3.753 1.00 0.00 H new ATOM 0 HA THR A 30 -6.194 -3.438 1.481 1.00 0.00 H new ATOM 0 HB THR A 30 -6.369 -5.532 0.505 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.441 -6.224 0.600 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.780 -7.197 2.235 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.939 -5.646 2.464 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.334 -6.062 3.489 1.00 0.00 H new ATOM 462 N ALA A 31 -7.912 -2.776 -0.145 1.00 0.00 N ATOM 463 CA ALA A 31 -8.915 -2.237 -1.053 1.00 0.00 C ATOM 464 C ALA A 31 -8.970 -3.065 -2.335 1.00 0.00 C ATOM 465 O ALA A 31 -8.525 -4.212 -2.359 1.00 0.00 O ATOM 466 CB ALA A 31 -8.613 -0.778 -1.365 1.00 0.00 C ATOM 0 H ALA A 31 -6.951 -2.545 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.891 -2.290 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.370 -0.387 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.621 -0.199 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.631 -0.702 -1.833 1.00 0.00 H new ATOM 472 N LYS A 32 -9.517 -2.486 -3.400 1.00 0.00 N ATOM 473 CA LYS A 32 -9.621 -3.190 -4.674 1.00 0.00 C ATOM 474 C LYS A 32 -8.882 -2.445 -5.782 1.00 0.00 C ATOM 475 O LYS A 32 -8.379 -3.059 -6.723 1.00 0.00 O ATOM 476 CB LYS A 32 -11.090 -3.379 -5.065 1.00 0.00 C ATOM 477 CG LYS A 32 -12.028 -3.534 -3.878 1.00 0.00 C ATOM 478 CD LYS A 32 -13.485 -3.445 -4.303 1.00 0.00 C ATOM 479 CE LYS A 32 -14.367 -4.355 -3.464 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.436 -4.996 -4.278 1.00 0.00 N ATOM 0 H LYS A 32 -9.893 -1.538 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.155 -4.168 -4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.411 -2.524 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.176 -4.260 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.847 -4.493 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.815 -2.760 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.830 -2.415 -4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.576 -3.717 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.754 -5.126 -2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.821 -3.778 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.016 -5.608 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.037 -4.261 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.003 -5.567 -5.032 1.00 0.00 H new ATOM 494 N THR A 33 -8.820 -1.124 -5.668 1.00 0.00 N ATOM 495 CA THR A 33 -8.142 -0.303 -6.662 1.00 0.00 C ATOM 496 C THR A 33 -7.855 1.086 -6.108 1.00 0.00 C ATOM 497 O THR A 33 -8.201 1.392 -4.967 1.00 0.00 O ATOM 498 CB THR A 33 -8.990 -0.195 -7.931 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.361 -0.049 -7.607 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.858 -1.395 -8.844 1.00 0.00 C ATOM 0 H THR A 33 -9.231 -0.599 -4.897 1.00 0.00 H new ATOM 0 HA THR A 33 -7.194 -0.781 -6.909 1.00 0.00 H new ATOM 0 HB THR A 33 -8.613 0.683 -8.456 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.886 0.020 -8.431 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.485 -1.253 -9.724 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.818 -1.505 -9.153 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.175 -2.293 -8.313 1.00 0.00 H new ATOM 508 N LEU A 34 -7.222 1.924 -6.920 1.00 0.00 N ATOM 509 CA LEU A 34 -6.892 3.281 -6.503 1.00 0.00 C ATOM 510 C LEU A 34 -8.157 4.070 -6.183 1.00 0.00 C ATOM 511 O LEU A 34 -8.199 4.824 -5.212 1.00 0.00 O ATOM 512 CB LEU A 34 -6.084 3.990 -7.590 1.00 0.00 C ATOM 513 CG LEU A 34 -4.833 3.241 -8.053 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.469 3.634 -9.476 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.671 3.512 -7.107 1.00 0.00 C ATOM 0 H LEU A 34 -6.928 1.689 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.286 3.223 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.730 4.157 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.786 4.971 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.046 2.172 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.577 3.090 -9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.295 3.388 -10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.274 4.706 -9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.789 2.972 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.458 4.581 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.933 3.178 -6.103 1.00 0.00 H new ATOM 527 N ARG A 35 -9.192 3.881 -6.998 1.00 0.00 N ATOM 528 CA ARG A 35 -10.459 4.568 -6.785 1.00 0.00 C ATOM 529 C ARG A 35 -11.028 4.206 -5.416 1.00 0.00 C ATOM 530 O ARG A 35 -11.368 5.081 -4.619 1.00 0.00 O ATOM 531 CB ARG A 35 -11.457 4.200 -7.886 1.00 0.00 C ATOM 532 CG ARG A 35 -11.967 5.401 -8.669 1.00 0.00 C ATOM 533 CD ARG A 35 -13.325 5.861 -8.161 1.00 0.00 C ATOM 534 NE ARG A 35 -13.209 6.962 -7.208 1.00 0.00 N ATOM 535 CZ ARG A 35 -14.181 7.327 -6.374 1.00 0.00 C ATOM 536 NH1 ARG A 35 -15.341 6.681 -6.373 1.00 0.00 N ATOM 537 NH2 ARG A 35 -13.992 8.337 -5.538 1.00 0.00 N ATOM 0 H ARG A 35 -9.177 3.261 -7.808 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.283 5.643 -6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.984 3.501 -8.576 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.305 3.681 -7.438 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.251 6.219 -8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.041 5.143 -9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.940 6.175 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.837 5.024 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.332 7.482 -7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.491 5.901 -7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.082 6.965 -5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.102 8.835 -5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.737 8.617 -4.899 1.00 0.00 H new ATOM 551 N GLU A 36 -11.113 2.906 -5.148 1.00 0.00 N ATOM 552 CA GLU A 36 -11.624 2.423 -3.873 1.00 0.00 C ATOM 553 C GLU A 36 -10.739 2.912 -2.732 1.00 0.00 C ATOM 554 O GLU A 36 -11.219 3.186 -1.631 1.00 0.00 O ATOM 555 CB GLU A 36 -11.693 0.894 -3.867 1.00 0.00 C ATOM 556 CG GLU A 36 -13.033 0.345 -4.331 1.00 0.00 C ATOM 557 CD GLU A 36 -14.049 0.263 -3.209 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.045 1.158 -2.337 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.850 -0.695 -3.202 1.00 0.00 O ATOM 0 H GLU A 36 -10.834 2.170 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.631 2.817 -3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.906 0.500 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.491 0.533 -2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.426 0.979 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.887 -0.647 -4.757 1.00 0.00 H new ATOM 566 N ALA A 37 -9.442 3.027 -3.006 1.00 0.00 N ATOM 567 CA ALA A 37 -8.492 3.493 -2.007 1.00 0.00 C ATOM 568 C ALA A 37 -8.783 4.936 -1.621 1.00 0.00 C ATOM 569 O ALA A 37 -9.012 5.238 -0.451 1.00 0.00 O ATOM 570 CB ALA A 37 -7.067 3.356 -2.523 1.00 0.00 C ATOM 0 H ALA A 37 -9.028 2.804 -3.911 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.599 2.873 -1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.369 3.709 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.860 2.310 -2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.949 3.951 -3.428 1.00 0.00 H new ATOM 576 N GLU A 38 -8.779 5.827 -2.612 1.00 0.00 N ATOM 577 CA GLU A 38 -9.050 7.241 -2.370 1.00 0.00 C ATOM 578 C GLU A 38 -10.279 7.412 -1.483 1.00 0.00 C ATOM 579 O GLU A 38 -10.290 8.243 -0.576 1.00 0.00 O ATOM 580 CB GLU A 38 -9.252 7.981 -3.692 1.00 0.00 C ATOM 581 CG GLU A 38 -8.039 7.940 -4.605 1.00 0.00 C ATOM 582 CD GLU A 38 -8.352 8.407 -6.012 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.115 7.712 -6.713 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.831 9.470 -6.413 1.00 0.00 O ATOM 0 H GLU A 38 -8.591 5.594 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.189 7.667 -1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.104 7.547 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.503 9.021 -3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.252 8.566 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.651 6.922 -4.642 1.00 0.00 H new ATOM 591 N LYS A 39 -11.305 6.607 -1.740 1.00 0.00 N ATOM 592 CA LYS A 39 -12.526 6.662 -0.947 1.00 0.00 C ATOM 593 C LYS A 39 -12.206 6.358 0.512 1.00 0.00 C ATOM 594 O LYS A 39 -12.694 7.027 1.421 1.00 0.00 O ATOM 595 CB LYS A 39 -13.555 5.663 -1.484 1.00 0.00 C ATOM 596 CG LYS A 39 -14.824 5.585 -0.650 1.00 0.00 C ATOM 597 CD LYS A 39 -14.781 4.418 0.325 1.00 0.00 C ATOM 598 CE LYS A 39 -16.098 3.658 0.350 1.00 0.00 C ATOM 599 NZ LYS A 39 -15.936 2.254 -0.118 1.00 0.00 N ATOM 0 H LYS A 39 -11.315 5.913 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.950 7.664 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.818 5.939 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.099 4.674 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.956 6.516 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.687 5.479 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.975 3.740 0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.555 4.787 1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.499 3.659 1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.825 4.170 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.851 1.893 -0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.243 2.224 -0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.601 1.662 0.669 1.00 0.00 H new ATOM 613 N LYS A 40 -11.371 5.344 0.720 1.00 0.00 N ATOM 614 CA LYS A 40 -10.966 4.943 2.060 1.00 0.00 C ATOM 615 C LYS A 40 -10.000 5.960 2.663 1.00 0.00 C ATOM 616 O LYS A 40 -10.128 6.338 3.828 1.00 0.00 O ATOM 617 CB LYS A 40 -10.310 3.564 2.016 1.00 0.00 C ATOM 618 CG LYS A 40 -11.302 2.423 1.863 1.00 0.00 C ATOM 619 CD LYS A 40 -10.782 1.354 0.914 1.00 0.00 C ATOM 620 CE LYS A 40 -11.280 -0.028 1.301 1.00 0.00 C ATOM 621 NZ LYS A 40 -10.236 -0.818 2.011 1.00 0.00 N ATOM 0 H LYS A 40 -10.961 4.784 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.855 4.899 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.603 3.533 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.736 3.415 2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.501 1.979 2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.250 2.811 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.099 1.584 -0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.692 1.363 0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.158 0.069 1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.594 -0.564 0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.128 -1.744 1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.331 -0.307 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.519 -0.956 3.002 1.00 0.00 H new ATOM 635 N ILE A 41 -9.033 6.394 1.861 1.00 0.00 N ATOM 636 CA ILE A 41 -8.040 7.364 2.310 1.00 0.00 C ATOM 637 C ILE A 41 -8.654 8.752 2.481 1.00 0.00 C ATOM 638 O ILE A 41 -8.099 9.603 3.178 1.00 0.00 O ATOM 639 CB ILE A 41 -6.860 7.455 1.326 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.311 6.059 1.022 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.765 8.349 1.890 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.303 6.038 -0.106 1.00 0.00 C ATOM 0 H ILE A 41 -8.916 6.089 0.895 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.675 7.014 3.275 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.217 7.895 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.846 5.657 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.140 5.398 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.938 8.402 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.163 9.349 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.408 7.936 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.957 5.017 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.770 6.410 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.455 6.672 0.152 1.00 0.00 H new ATOM 654 N LYS A 42 -9.798 8.978 1.843 1.00 0.00 N ATOM 655 CA LYS A 42 -10.482 10.264 1.927 1.00 0.00 C ATOM 656 C LYS A 42 -10.771 10.644 3.378 1.00 0.00 C ATOM 657 O LYS A 42 -10.945 11.820 3.697 1.00 0.00 O ATOM 658 CB LYS A 42 -11.779 10.228 1.126 1.00 0.00 C ATOM 659 CG LYS A 42 -11.795 11.192 -0.049 1.00 0.00 C ATOM 660 CD LYS A 42 -11.841 12.639 0.417 1.00 0.00 C ATOM 661 CE LYS A 42 -10.446 13.229 0.537 1.00 0.00 C ATOM 662 NZ LYS A 42 -10.452 14.709 0.362 1.00 0.00 N ATOM 0 H LYS A 42 -10.271 8.287 1.261 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.823 11.022 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.940 9.215 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.612 10.462 1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.908 11.034 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.659 10.984 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.428 13.230 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.346 12.696 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.029 12.980 1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.795 12.777 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.482 15.073 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.826 14.946 -0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.053 15.142 1.092 1.00 0.00 H new ATOM 676 N GLU A 43 -10.822 9.643 4.251 1.00 0.00 N ATOM 677 CA GLU A 43 -11.090 9.877 5.664 1.00 0.00 C ATOM 678 C GLU A 43 -10.057 9.174 6.538 1.00 0.00 C ATOM 679 O GLU A 43 -9.349 9.814 7.315 1.00 0.00 O ATOM 680 CB GLU A 43 -12.496 9.393 6.025 1.00 0.00 C ATOM 681 CG GLU A 43 -13.572 9.889 5.073 1.00 0.00 C ATOM 682 CD GLU A 43 -14.747 8.936 4.973 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.694 8.015 4.132 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.719 9.111 5.738 1.00 0.00 O ATOM 0 H GLU A 43 -10.681 8.663 4.004 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.024 10.949 5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.505 8.303 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.737 9.723 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.927 10.864 5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.139 10.031 4.083 1.00 0.00 H new ATOM 691 N LEU A 44 -9.975 7.854 6.403 1.00 0.00 N ATOM 692 CA LEU A 44 -9.028 7.064 7.179 1.00 0.00 C ATOM 693 C LEU A 44 -7.596 7.508 6.902 1.00 0.00 C ATOM 694 O LEU A 44 -7.092 7.355 5.790 1.00 0.00 O ATOM 695 CB LEU A 44 -9.187 5.576 6.853 1.00 0.00 C ATOM 696 CG LEU A 44 -9.702 4.709 8.004 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.651 4.592 9.096 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.996 5.281 8.563 1.00 0.00 C ATOM 0 H LEU A 44 -10.553 7.310 5.763 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.240 7.222 8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.871 5.476 6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.222 5.186 6.529 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.907 3.710 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.035 3.972 9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.750 4.136 8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.413 5.584 9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.348 4.652 9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.818 6.291 8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.750 5.310 7.777 1.00 0.00 H new ATOM 710 N PHE A 45 -6.943 8.056 7.921 1.00 0.00 N ATOM 711 CA PHE A 45 -5.568 8.520 7.785 1.00 0.00 C ATOM 712 C PHE A 45 -4.594 7.350 7.877 1.00 0.00 C ATOM 713 O PHE A 45 -3.819 7.245 8.828 1.00 0.00 O ATOM 714 CB PHE A 45 -5.241 9.556 8.863 1.00 0.00 C ATOM 715 CG PHE A 45 -3.923 10.244 8.650 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.828 11.346 7.815 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.777 9.787 9.283 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.617 11.980 7.616 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.563 10.417 9.088 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.482 11.515 8.253 1.00 0.00 C ATOM 0 H PHE A 45 -7.344 8.190 8.849 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.464 8.986 6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.033 10.304 8.889 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.233 9.066 9.837 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.711 11.713 7.314 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.834 8.929 9.936 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.557 12.838 6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.678 10.052 9.588 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.534 12.009 8.098 1.00 0.00 H new ATOM 730 N PHE A 46 -4.639 6.472 6.881 1.00 0.00 N ATOM 731 CA PHE A 46 -3.761 5.308 6.849 1.00 0.00 C ATOM 732 C PHE A 46 -2.291 5.733 6.898 1.00 0.00 C ATOM 733 O PHE A 46 -1.872 6.619 6.153 1.00 0.00 O ATOM 734 CB PHE A 46 -4.016 4.485 5.585 1.00 0.00 C ATOM 735 CG PHE A 46 -5.246 3.624 5.652 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.237 2.434 6.362 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.407 4.002 4.999 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.365 1.636 6.419 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.538 3.208 5.052 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.516 2.024 5.763 1.00 0.00 C ATOM 0 H PHE A 46 -5.274 6.544 6.086 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.978 4.698 7.726 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.105 5.162 4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.150 3.850 5.397 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.339 2.126 6.877 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.430 4.927 4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.345 0.711 6.976 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.437 3.513 4.538 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.398 1.403 5.806 1.00 0.00 H new ATOM 750 N PRO A 47 -1.481 5.097 7.766 1.00 0.00 N ATOM 751 CA PRO A 47 -0.059 5.410 7.888 1.00 0.00 C ATOM 752 C PRO A 47 0.754 4.793 6.755 1.00 0.00 C ATOM 753 O PRO A 47 1.723 5.382 6.277 1.00 0.00 O ATOM 754 CB PRO A 47 0.353 4.794 9.233 1.00 0.00 C ATOM 755 CG PRO A 47 -0.852 4.086 9.774 1.00 0.00 C ATOM 756 CD PRO A 47 -1.879 4.021 8.677 1.00 0.00 C ATOM 0 HA PRO A 47 0.122 6.484 7.836 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.183 4.099 9.102 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.690 5.566 9.924 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.587 3.083 10.109 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.250 4.616 10.639 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.872 3.051 8.179 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.887 4.175 9.062 1.00 0.00 H new ATOM 764 N VAL A 48 0.350 3.600 6.336 1.00 0.00 N ATOM 765 CA VAL A 48 1.029 2.891 5.263 1.00 0.00 C ATOM 766 C VAL A 48 0.051 2.501 4.160 1.00 0.00 C ATOM 767 O VAL A 48 -1.037 1.994 4.432 1.00 0.00 O ATOM 768 CB VAL A 48 1.723 1.629 5.796 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.609 1.006 4.729 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.523 1.967 7.040 1.00 0.00 C ATOM 0 H VAL A 48 -0.450 3.102 6.727 1.00 0.00 H new ATOM 0 HA VAL A 48 1.779 3.565 4.850 1.00 0.00 H new ATOM 0 HB VAL A 48 0.962 0.895 6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.090 0.114 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.002 0.734 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.371 1.723 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.013 1.068 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.277 2.716 6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.855 2.361 7.806 1.00 0.00 H new ATOM 780 N ILE A 49 0.445 2.747 2.917 1.00 0.00 N ATOM 781 CA ILE A 49 -0.395 2.427 1.768 1.00 0.00 C ATOM 782 C ILE A 49 0.410 1.698 0.700 1.00 0.00 C ATOM 783 O ILE A 49 1.172 2.322 -0.039 1.00 0.00 O ATOM 784 CB ILE A 49 -1.000 3.697 1.126 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.196 4.804 2.167 1.00 0.00 C ATOM 786 CG2 ILE A 49 -2.319 3.367 0.445 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.267 4.500 3.189 1.00 0.00 C ATOM 0 H ILE A 49 1.343 3.168 2.678 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.200 1.793 2.139 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.299 4.063 0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.252 4.974 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.450 5.731 1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.733 4.270 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.151 2.621 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.020 2.972 1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.346 5.330 3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.223 4.359 2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.006 3.591 3.730 1.00 0.00 H new ATOM 799 N VAL A 50 0.254 0.380 0.613 1.00 0.00 N ATOM 800 CA VAL A 50 0.981 -0.405 -0.374 1.00 0.00 C ATOM 801 C VAL A 50 0.095 -0.731 -1.573 1.00 0.00 C ATOM 802 O VAL A 50 -0.992 -1.286 -1.418 1.00 0.00 O ATOM 803 CB VAL A 50 1.491 -1.722 0.243 1.00 0.00 C ATOM 804 CG1 VAL A 50 2.376 -2.473 -0.739 1.00 0.00 C ATOM 805 CG2 VAL A 50 2.226 -1.450 1.548 1.00 0.00 C ATOM 0 H VAL A 50 -0.367 -0.163 1.212 1.00 0.00 H new ATOM 0 HA VAL A 50 1.829 0.194 -0.705 1.00 0.00 H new ATOM 0 HB VAL A 50 0.631 -2.354 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.724 -3.399 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.806 -2.705 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.234 -1.854 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.579 -2.391 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.077 -0.796 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.549 -0.968 2.253 1.00 0.00 H new ATOM 815 N LEU A 51 0.564 -0.387 -2.767 1.00 0.00 N ATOM 816 CA LEU A 51 -0.194 -0.651 -3.985 1.00 0.00 C ATOM 817 C LEU A 51 0.166 -2.015 -4.563 1.00 0.00 C ATOM 818 O LEU A 51 1.206 -2.587 -4.239 1.00 0.00 O ATOM 819 CB LEU A 51 0.063 0.440 -5.028 1.00 0.00 C ATOM 820 CG LEU A 51 -0.815 0.356 -6.280 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.282 0.511 -5.915 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.402 1.412 -7.294 1.00 0.00 C ATOM 0 H LEU A 51 1.462 0.073 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.253 -0.650 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.089 1.413 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.109 0.393 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.676 -0.626 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.890 0.449 -6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.572 -0.283 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.438 1.479 -5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.037 1.337 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.510 2.403 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.638 1.254 -7.581 1.00 0.00 H new ATOM 834 N ASP A 52 -0.704 -2.525 -5.424 1.00 0.00 N ATOM 835 CA ASP A 52 -0.491 -3.820 -6.060 1.00 0.00 C ATOM 836 C ASP A 52 -1.195 -3.877 -7.411 1.00 0.00 C ATOM 837 O ASP A 52 -2.376 -4.212 -7.498 1.00 0.00 O ATOM 838 CB ASP A 52 -0.994 -4.949 -5.159 1.00 0.00 C ATOM 839 CG ASP A 52 -0.051 -6.137 -5.141 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.956 -6.085 -4.403 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.321 -7.119 -5.864 1.00 0.00 O ATOM 0 H ASP A 52 -1.569 -2.060 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 52 0.580 -3.949 -6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.119 -4.572 -4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.977 -5.273 -5.502 1.00 0.00 H new ATOM 846 N VAL A 53 -0.457 -3.538 -8.459 1.00 0.00 N ATOM 847 CA VAL A 53 -0.993 -3.538 -9.812 1.00 0.00 C ATOM 848 C VAL A 53 -1.165 -4.961 -10.344 1.00 0.00 C ATOM 849 O VAL A 53 -0.523 -5.352 -11.319 1.00 0.00 O ATOM 850 CB VAL A 53 -0.078 -2.743 -10.767 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.660 -2.703 -12.171 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.147 -1.335 -10.237 1.00 0.00 C ATOM 0 H VAL A 53 0.522 -3.258 -8.396 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.971 -3.059 -9.769 1.00 0.00 H new ATOM 0 HB VAL A 53 0.885 -3.251 -10.818 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.004 -2.137 -12.824 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.763 -3.719 -12.551 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.639 -2.224 -12.146 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.794 -0.787 -10.922 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.810 -0.821 -10.153 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.618 -1.387 -9.256 1.00 0.00 H new ATOM 862 N TRP A 54 -2.039 -5.730 -9.702 1.00 0.00 N ATOM 863 CA TRP A 54 -2.295 -7.103 -10.123 1.00 0.00 C ATOM 864 C TRP A 54 -2.895 -7.124 -11.528 1.00 0.00 C ATOM 865 O TRP A 54 -2.178 -7.296 -12.513 1.00 0.00 O ATOM 866 CB TRP A 54 -3.226 -7.804 -9.128 1.00 0.00 C ATOM 867 CG TRP A 54 -3.575 -9.207 -9.523 1.00 0.00 C ATOM 868 CD1 TRP A 54 -4.827 -9.747 -9.609 1.00 0.00 C ATOM 869 CD2 TRP A 54 -2.663 -10.249 -9.883 1.00 0.00 C ATOM 870 NE1 TRP A 54 -4.747 -11.061 -10.002 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.429 -11.393 -10.177 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.271 -10.326 -9.989 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -2.849 -12.598 -10.567 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -0.697 -11.523 -10.376 1.00 0.00 C ATOM 875 CH2 TRP A 54 -1.486 -12.644 -10.662 1.00 0.00 C ATOM 0 H TRP A 54 -2.580 -5.427 -8.892 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.348 -7.643 -10.144 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.752 -7.819 -8.147 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.143 -7.224 -9.030 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.745 -9.218 -9.399 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.540 -11.688 -10.141 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.655 -9.466 -9.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.455 -13.465 -10.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.377 -11.595 -10.459 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.008 -13.564 -10.964 1.00 0.00 H new ATOM 886 N MET A 55 -4.209 -6.934 -11.619 1.00 0.00 N ATOM 887 CA MET A 55 -4.886 -6.919 -12.908 1.00 0.00 C ATOM 888 C MET A 55 -5.963 -5.828 -12.969 1.00 0.00 C ATOM 889 O MET A 55 -7.019 -6.031 -13.568 1.00 0.00 O ATOM 890 CB MET A 55 -5.515 -8.285 -13.192 1.00 0.00 C ATOM 891 CG MET A 55 -4.509 -9.424 -13.216 1.00 0.00 C ATOM 892 SD MET A 55 -3.466 -9.399 -14.688 1.00 0.00 S ATOM 893 CE MET A 55 -4.275 -10.638 -15.698 1.00 0.00 C ATOM 0 H MET A 55 -4.822 -6.789 -10.817 1.00 0.00 H new ATOM 0 HA MET A 55 -4.138 -6.698 -13.670 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.269 -8.493 -12.433 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.030 -8.246 -14.152 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.879 -9.366 -12.328 1.00 0.00 H new ATOM 0 HG3 MET A 55 -5.041 -10.374 -13.168 1.00 0.00 H new ATOM 0 HE1 MET A 55 -3.745 -10.738 -16.645 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.268 -11.595 -15.175 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.305 -10.336 -15.889 1.00 0.00 H new ATOM 903 N PRO A 56 -5.716 -4.649 -12.357 1.00 0.00 N ATOM 904 CA PRO A 56 -6.680 -3.544 -12.367 1.00 0.00 C ATOM 905 C PRO A 56 -6.657 -2.768 -13.681 1.00 0.00 C ATOM 906 O PRO A 56 -6.095 -3.228 -14.676 1.00 0.00 O ATOM 907 CB PRO A 56 -6.196 -2.659 -11.223 1.00 0.00 C ATOM 908 CG PRO A 56 -4.723 -2.864 -11.196 1.00 0.00 C ATOM 909 CD PRO A 56 -4.487 -4.291 -11.617 1.00 0.00 C ATOM 0 HA PRO A 56 -7.707 -3.892 -12.259 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.449 -1.613 -11.395 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.655 -2.946 -10.277 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.222 -2.171 -11.872 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.323 -2.682 -10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.601 -4.381 -12.246 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.335 -4.942 -10.756 1.00 0.00 H new ATOM 917 N ASP A 57 -7.266 -1.586 -13.676 1.00 0.00 N ATOM 918 CA ASP A 57 -7.311 -0.743 -14.864 1.00 0.00 C ATOM 919 C ASP A 57 -6.975 0.705 -14.518 1.00 0.00 C ATOM 920 O ASP A 57 -7.419 1.632 -15.195 1.00 0.00 O ATOM 921 CB ASP A 57 -8.692 -0.815 -15.516 1.00 0.00 C ATOM 922 CG ASP A 57 -9.075 -2.231 -15.902 1.00 0.00 C ATOM 923 OD1 ASP A 57 -8.594 -2.713 -16.948 1.00 0.00 O ATOM 924 OD2 ASP A 57 -9.858 -2.857 -15.157 1.00 0.00 O ATOM 0 H ASP A 57 -7.735 -1.191 -12.861 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.565 -1.113 -15.568 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.437 -0.414 -14.828 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.705 -0.183 -16.404 1.00 0.00 H new ATOM 929 N GLY A 58 -6.190 0.893 -13.460 1.00 0.00 N ATOM 930 CA GLY A 58 -5.811 2.232 -13.046 1.00 0.00 C ATOM 931 C GLY A 58 -4.366 2.554 -13.371 1.00 0.00 C ATOM 932 O GLY A 58 -4.071 3.120 -14.424 1.00 0.00 O ATOM 0 H GLY A 58 -5.810 0.142 -12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.460 2.958 -13.536 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.970 2.335 -11.973 1.00 0.00 H new ATOM 936 N ASP A 59 -3.462 2.194 -12.465 1.00 0.00 N ATOM 937 CA ASP A 59 -2.040 2.451 -12.661 1.00 0.00 C ATOM 938 C ASP A 59 -1.780 3.946 -12.827 1.00 0.00 C ATOM 939 O ASP A 59 -1.177 4.378 -13.811 1.00 0.00 O ATOM 940 CB ASP A 59 -1.528 1.690 -13.886 1.00 0.00 C ATOM 941 CG ASP A 59 -0.030 1.455 -13.837 1.00 0.00 C ATOM 942 OD1 ASP A 59 0.399 0.499 -13.158 1.00 0.00 O ATOM 943 OD2 ASP A 59 0.712 2.228 -14.478 1.00 0.00 O ATOM 0 H ASP A 59 -3.689 1.724 -11.589 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.504 2.102 -11.778 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.041 0.731 -13.955 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.776 2.250 -14.788 1.00 0.00 H new ATOM 948 N GLY A 60 -2.244 4.730 -11.860 1.00 0.00 N ATOM 949 CA GLY A 60 -2.057 6.168 -11.917 1.00 0.00 C ATOM 950 C GLY A 60 -0.764 6.619 -11.268 1.00 0.00 C ATOM 951 O GLY A 60 -0.617 6.553 -10.048 1.00 0.00 O ATOM 0 H GLY A 60 -2.746 4.395 -11.038 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.067 6.490 -12.958 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.896 6.659 -11.424 1.00 0.00 H new ATOM 955 N VAL A 61 0.175 7.083 -12.086 1.00 0.00 N ATOM 956 CA VAL A 61 1.457 7.553 -11.592 1.00 0.00 C ATOM 957 C VAL A 61 1.280 8.768 -10.687 1.00 0.00 C ATOM 958 O VAL A 61 1.999 8.933 -9.703 1.00 0.00 O ATOM 959 CB VAL A 61 2.390 7.917 -12.762 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.698 8.491 -12.250 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.642 6.702 -13.642 1.00 0.00 C ATOM 0 H VAL A 61 0.068 7.142 -13.099 1.00 0.00 H new ATOM 0 HA VAL A 61 1.905 6.744 -11.014 1.00 0.00 H new ATOM 0 HB VAL A 61 1.899 8.681 -13.365 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.341 8.741 -13.094 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.498 9.391 -11.668 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.196 7.755 -11.620 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.303 6.978 -14.463 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.108 5.914 -13.050 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.695 6.341 -14.044 1.00 0.00 H new ATOM 971 N ASN A 62 0.319 9.618 -11.029 1.00 0.00 N ATOM 972 CA ASN A 62 0.049 10.821 -10.250 1.00 0.00 C ATOM 973 C ASN A 62 -0.659 10.493 -8.934 1.00 0.00 C ATOM 974 O ASN A 62 -0.859 11.372 -8.096 1.00 0.00 O ATOM 975 CB ASN A 62 -0.798 11.801 -11.068 1.00 0.00 C ATOM 976 CG ASN A 62 -0.125 13.149 -11.234 1.00 0.00 C ATOM 977 OD1 ASN A 62 -0.210 14.010 -10.358 1.00 0.00 O ATOM 978 ND2 ASN A 62 0.550 13.339 -12.362 1.00 0.00 N ATOM 0 H ASN A 62 -0.287 9.497 -11.841 1.00 0.00 H new ATOM 0 HA ASN A 62 1.007 11.282 -10.010 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.995 11.373 -12.051 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.763 11.938 -10.580 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.024 14.226 -12.529 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.594 12.597 -13.061 1.00 0.00 H new ATOM 985 N PHE A 63 -1.039 9.229 -8.753 1.00 0.00 N ATOM 986 CA PHE A 63 -1.724 8.810 -7.535 1.00 0.00 C ATOM 987 C PHE A 63 -0.842 9.019 -6.307 1.00 0.00 C ATOM 988 O PHE A 63 -1.327 9.405 -5.243 1.00 0.00 O ATOM 989 CB PHE A 63 -2.143 7.341 -7.629 1.00 0.00 C ATOM 990 CG PHE A 63 -2.852 6.851 -6.398 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.031 7.449 -5.984 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.337 5.804 -5.651 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.684 7.011 -4.849 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.985 5.364 -4.513 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.161 5.968 -4.111 1.00 0.00 C ATOM 0 H PHE A 63 -0.885 8.483 -9.431 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.616 9.428 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.795 7.210 -8.493 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.259 6.727 -7.800 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.444 8.267 -6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.419 5.327 -5.962 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.604 7.484 -4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.573 4.548 -3.938 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.670 5.625 -3.222 1.00 0.00 H new ATOM 1005 N ILE A 64 0.455 8.761 -6.458 1.00 0.00 N ATOM 1006 CA ILE A 64 1.399 8.921 -5.356 1.00 0.00 C ATOM 1007 C ILE A 64 1.220 10.270 -4.670 1.00 0.00 C ATOM 1008 O ILE A 64 1.464 10.405 -3.470 1.00 0.00 O ATOM 1009 CB ILE A 64 2.857 8.789 -5.837 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.042 7.493 -6.631 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.814 8.836 -4.656 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.713 7.699 -7.970 1.00 0.00 C ATOM 0 H ILE A 64 0.875 8.441 -7.331 1.00 0.00 H new ATOM 0 HA ILE A 64 1.189 8.124 -4.643 1.00 0.00 H new ATOM 0 HB ILE A 64 3.083 9.629 -6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.635 6.795 -6.040 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.068 7.030 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.839 8.741 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.699 9.785 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.591 8.016 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.812 6.740 -8.479 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.110 8.372 -8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.701 8.133 -7.819 1.00 0.00 H new ATOM 1024 N ASP A 65 0.788 11.265 -5.436 1.00 0.00 N ATOM 1025 CA ASP A 65 0.571 12.601 -4.897 1.00 0.00 C ATOM 1026 C ASP A 65 -0.696 12.640 -4.051 1.00 0.00 C ATOM 1027 O ASP A 65 -0.765 13.356 -3.052 1.00 0.00 O ATOM 1028 CB ASP A 65 0.480 13.626 -6.030 1.00 0.00 C ATOM 1029 CG ASP A 65 1.284 14.878 -5.741 1.00 0.00 C ATOM 1030 OD1 ASP A 65 0.925 15.609 -4.795 1.00 0.00 O ATOM 1031 OD2 ASP A 65 2.274 15.127 -6.461 1.00 0.00 O ATOM 0 H ASP A 65 0.582 11.172 -6.431 1.00 0.00 H new ATOM 0 HA ASP A 65 1.420 12.855 -4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.837 13.174 -6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.564 13.896 -6.189 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.694 11.856 -4.449 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.953 11.795 -3.718 1.00 0.00 C ATOM 1038 C PHE A 66 -2.713 11.298 -2.297 1.00 0.00 C ATOM 1039 O PHE A 66 -3.248 11.850 -1.335 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.941 10.875 -4.442 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.207 10.615 -3.673 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.248 9.637 -2.692 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.353 11.349 -3.931 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.410 9.395 -1.985 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.519 11.111 -3.227 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.546 10.134 -2.252 1.00 0.00 C ATOM 0 H PHE A 66 -1.654 11.256 -5.273 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.379 12.797 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.197 11.318 -5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.451 9.923 -4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.362 9.058 -2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.336 12.116 -4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.430 8.629 -1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.407 11.688 -3.439 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.454 9.948 -1.699 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.895 10.258 -2.173 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.574 9.693 -0.871 1.00 0.00 C ATOM 1058 C ILE A 67 -0.892 10.738 0.009 1.00 0.00 C ATOM 1059 O ILE A 67 -1.183 10.848 1.200 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.665 8.451 -1.001 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.389 7.346 -1.775 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.243 7.945 0.373 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.212 7.437 -3.275 1.00 0.00 C ATOM 0 H ILE A 67 -1.443 9.791 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.511 9.384 -0.408 1.00 0.00 H new ATOM 0 HB ILE A 67 0.232 8.737 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.025 6.377 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.453 7.388 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.397 7.070 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.305 8.728 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.128 7.674 0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.753 6.622 -3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.603 8.391 -3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.153 7.364 -3.521 1.00 0.00 H new ATOM 1075 N LYS A 68 0.009 11.511 -0.591 1.00 0.00 N ATOM 1076 CA LYS A 68 0.719 12.557 0.136 1.00 0.00 C ATOM 1077 C LYS A 68 -0.161 13.795 0.293 1.00 0.00 C ATOM 1078 O LYS A 68 0.067 14.624 1.175 1.00 0.00 O ATOM 1079 CB LYS A 68 2.014 12.925 -0.592 1.00 0.00 C ATOM 1080 CG LYS A 68 2.895 11.726 -0.909 1.00 0.00 C ATOM 1081 CD LYS A 68 4.298 11.895 -0.347 1.00 0.00 C ATOM 1082 CE LYS A 68 4.473 11.135 0.957 1.00 0.00 C ATOM 1083 NZ LYS A 68 5.822 10.514 1.062 1.00 0.00 N ATOM 0 H LYS A 68 0.264 11.433 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 68 0.966 12.177 1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.766 13.439 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.578 13.628 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.444 10.824 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.950 11.590 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.028 11.541 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.499 12.953 -0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.320 11.814 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.710 10.360 1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.734 9.480 1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.423 10.856 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.253 10.772 1.973 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.170 13.911 -0.567 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.088 15.042 -0.525 1.00 0.00 C ATOM 1099 C GLU A 69 -2.947 14.999 0.735 1.00 0.00 C ATOM 1100 O GLU A 69 -3.251 16.034 1.327 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.983 15.044 -1.764 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.725 16.353 -1.976 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.975 16.184 -2.817 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.646 15.138 -2.682 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.285 17.098 -3.611 1.00 0.00 O ATOM 0 H GLU A 69 -1.371 13.233 -1.302 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.497 15.958 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.373 14.835 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.708 14.235 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.997 16.773 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.060 17.069 -2.459 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.336 13.794 1.135 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.165 13.612 2.324 1.00 0.00 C ATOM 1114 C ASN A 70 -3.464 12.734 3.361 1.00 0.00 C ATOM 1115 O ASN A 70 -4.070 12.335 4.356 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.512 12.990 1.944 1.00 0.00 C ATOM 1117 CG ASN A 70 -6.028 13.493 0.610 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -6.979 14.272 0.552 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.401 13.046 -0.472 1.00 0.00 N ATOM 0 H ASN A 70 -3.092 12.928 0.655 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.333 14.595 2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.410 11.906 1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.244 13.213 2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.704 13.348 -1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.617 12.401 -0.377 1.00 0.00 H new ATOM 1126 N SER A 71 -2.187 12.437 3.127 1.00 0.00 N ATOM 1127 CA SER A 71 -1.416 11.610 4.047 1.00 0.00 C ATOM 1128 C SER A 71 0.083 11.806 3.827 1.00 0.00 C ATOM 1129 O SER A 71 0.780 10.895 3.380 1.00 0.00 O ATOM 1130 CB SER A 71 -1.789 10.135 3.874 1.00 0.00 C ATOM 1131 OG SER A 71 -2.613 9.690 4.938 1.00 0.00 O ATOM 0 H SER A 71 -1.667 12.757 2.310 1.00 0.00 H new ATOM 0 HA SER A 71 -1.655 11.917 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.308 9.997 2.925 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.883 9.530 3.833 1.00 0.00 H new ATOM 0 HG SER A 71 -3.346 10.326 5.072 1.00 0.00 H new ATOM 1137 N PRO A 72 0.600 13.007 4.137 1.00 0.00 N ATOM 1138 CA PRO A 72 2.022 13.323 3.974 1.00 0.00 C ATOM 1139 C PRO A 72 2.893 12.593 4.984 1.00 0.00 C ATOM 1140 O PRO A 72 4.101 12.451 4.798 1.00 0.00 O ATOM 1141 CB PRO A 72 2.094 14.842 4.199 1.00 0.00 C ATOM 1142 CG PRO A 72 0.677 15.317 4.229 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.149 14.148 4.673 1.00 0.00 C ATOM 0 HA PRO A 72 2.393 13.013 2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.604 15.075 5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.653 15.330 3.400 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.563 16.157 4.915 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.362 15.664 3.245 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.236 14.102 5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.162 14.192 4.273 1.00 0.00 H new ATOM 1151 N ASP A 73 2.264 12.131 6.051 1.00 0.00 N ATOM 1152 CA ASP A 73 2.963 11.406 7.104 1.00 0.00 C ATOM 1153 C ASP A 73 2.718 9.905 6.980 1.00 0.00 C ATOM 1154 O ASP A 73 2.705 9.181 7.976 1.00 0.00 O ATOM 1155 CB ASP A 73 2.509 11.896 8.479 1.00 0.00 C ATOM 1156 CG ASP A 73 3.333 11.306 9.605 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.568 11.495 9.600 1.00 0.00 O ATOM 1158 OD2 ASP A 73 2.744 10.656 10.495 1.00 0.00 O ATOM 0 H ASP A 73 1.264 12.245 6.214 1.00 0.00 H new ATOM 0 HA ASP A 73 4.031 11.595 6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.577 12.983 8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.460 11.637 8.626 1.00 0.00 H new ATOM 1163 N SER A 74 2.518 9.447 5.748 1.00 0.00 N ATOM 1164 CA SER A 74 2.268 8.035 5.486 1.00 0.00 C ATOM 1165 C SER A 74 3.367 7.444 4.606 1.00 0.00 C ATOM 1166 O SER A 74 4.301 8.142 4.213 1.00 0.00 O ATOM 1167 CB SER A 74 0.904 7.860 4.812 1.00 0.00 C ATOM 1168 OG SER A 74 0.725 6.534 4.349 1.00 0.00 O ATOM 0 H SER A 74 2.524 10.035 4.915 1.00 0.00 H new ATOM 0 HA SER A 74 2.267 7.503 6.438 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.112 8.111 5.518 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.817 8.554 3.976 1.00 0.00 H new ATOM 0 HG SER A 74 -0.201 6.254 4.508 1.00 0.00 H new ATOM 1174 N VAL A 75 3.244 6.158 4.295 1.00 0.00 N ATOM 1175 CA VAL A 75 4.223 5.480 3.457 1.00 0.00 C ATOM 1176 C VAL A 75 3.555 4.896 2.219 1.00 0.00 C ATOM 1177 O VAL A 75 2.424 4.422 2.282 1.00 0.00 O ATOM 1178 CB VAL A 75 4.941 4.349 4.222 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.988 3.687 3.333 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.576 4.888 5.494 1.00 0.00 C ATOM 0 H VAL A 75 2.476 5.566 4.611 1.00 0.00 H new ATOM 0 HA VAL A 75 4.962 6.225 3.161 1.00 0.00 H new ATOM 0 HB VAL A 75 4.204 3.596 4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.486 2.891 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.504 3.267 2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.724 4.429 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.078 4.077 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.302 5.660 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.803 5.314 6.134 1.00 0.00 H new ATOM 1190 N VAL A 76 4.252 4.940 1.090 1.00 0.00 N ATOM 1191 CA VAL A 76 3.708 4.415 -0.156 1.00 0.00 C ATOM 1192 C VAL A 76 4.623 3.349 -0.744 1.00 0.00 C ATOM 1193 O VAL A 76 5.632 3.661 -1.376 1.00 0.00 O ATOM 1194 CB VAL A 76 3.500 5.527 -1.205 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.509 5.078 -2.268 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.032 6.816 -0.543 1.00 0.00 C ATOM 0 H VAL A 76 5.190 5.332 1.012 1.00 0.00 H new ATOM 0 HA VAL A 76 2.741 3.976 0.087 1.00 0.00 H new ATOM 0 HB VAL A 76 4.457 5.724 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.374 5.875 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.890 4.187 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.552 4.850 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.892 7.585 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.088 6.639 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.781 7.148 0.176 1.00 0.00 H new ATOM 1206 N ILE A 77 4.262 2.089 -0.533 1.00 0.00 N ATOM 1207 CA ILE A 77 5.049 0.975 -1.046 1.00 0.00 C ATOM 1208 C ILE A 77 4.376 0.352 -2.264 1.00 0.00 C ATOM 1209 O ILE A 77 3.802 -0.731 -2.182 1.00 0.00 O ATOM 1210 CB ILE A 77 5.254 -0.114 0.026 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.683 0.516 1.355 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.279 -1.135 -0.443 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.090 1.076 1.339 1.00 0.00 C ATOM 0 H ILE A 77 3.430 1.814 -0.011 1.00 0.00 H new ATOM 0 HA ILE A 77 6.021 1.377 -1.331 1.00 0.00 H new ATOM 0 HB ILE A 77 4.306 -0.629 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.987 1.315 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.609 -0.234 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.412 -1.897 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.930 -1.605 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.231 -0.637 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.322 1.505 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.797 0.277 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.165 1.850 0.575 1.00 0.00 H new ATOM 1225 N VAL A 78 4.447 1.046 -3.392 1.00 0.00 N ATOM 1226 CA VAL A 78 3.841 0.563 -4.626 1.00 0.00 C ATOM 1227 C VAL A 78 4.560 -0.677 -5.147 1.00 0.00 C ATOM 1228 O VAL A 78 5.748 -0.631 -5.463 1.00 0.00 O ATOM 1229 CB VAL A 78 3.857 1.650 -5.717 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.033 1.217 -6.919 1.00 0.00 C ATOM 1231 CG2 VAL A 78 3.347 2.971 -5.161 1.00 0.00 C ATOM 0 H VAL A 78 4.919 1.946 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 78 2.808 0.305 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 78 4.887 1.792 -6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.058 1.999 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.448 0.297 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.002 1.044 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.365 3.727 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.325 2.845 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.984 3.289 -4.336 1.00 0.00 H new ATOM 1241 N ILE A 79 3.829 -1.782 -5.237 1.00 0.00 N ATOM 1242 CA ILE A 79 4.390 -3.037 -5.724 1.00 0.00 C ATOM 1243 C ILE A 79 3.556 -3.582 -6.876 1.00 0.00 C ATOM 1244 O ILE A 79 2.386 -3.232 -7.021 1.00 0.00 O ATOM 1245 CB ILE A 79 4.462 -4.100 -4.611 1.00 0.00 C ATOM 1246 CG1 ILE A 79 5.007 -3.488 -3.321 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.326 -5.273 -5.049 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.952 -4.425 -2.135 1.00 0.00 C ATOM 0 H ILE A 79 2.844 -1.834 -4.978 1.00 0.00 H new ATOM 0 HA ILE A 79 5.402 -2.823 -6.067 1.00 0.00 H new ATOM 0 HB ILE A 79 3.454 -4.467 -4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.040 -3.181 -3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.439 -2.587 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.366 -6.014 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.898 -5.726 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.334 -4.921 -5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.355 -3.923 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.918 -4.713 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.544 -5.316 -2.347 1.00 0.00 H new ATOM 1260 N THR A 80 4.157 -4.434 -7.699 1.00 0.00 N ATOM 1261 CA THR A 80 3.455 -5.017 -8.836 1.00 0.00 C ATOM 1262 C THR A 80 4.100 -6.332 -9.265 1.00 0.00 C ATOM 1263 O THR A 80 4.032 -6.717 -10.432 1.00 0.00 O ATOM 1264 CB THR A 80 3.437 -4.035 -10.011 1.00 0.00 C ATOM 1265 OG1 THR A 80 4.725 -3.923 -10.590 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.985 -2.644 -9.623 1.00 0.00 C ATOM 0 H THR A 80 5.126 -4.736 -7.600 1.00 0.00 H new ATOM 0 HA THR A 80 2.430 -5.223 -8.528 1.00 0.00 H new ATOM 0 HB THR A 80 2.719 -4.447 -10.720 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.693 -3.293 -11.340 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.996 -2.000 -10.502 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.974 -2.690 -9.219 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.660 -2.239 -8.868 1.00 0.00 H new ATOM 1274 N GLY A 81 4.724 -7.018 -8.311 1.00 0.00 N ATOM 1275 CA GLY A 81 5.370 -8.284 -8.609 1.00 0.00 C ATOM 1276 C GLY A 81 6.372 -8.176 -9.743 1.00 0.00 C ATOM 1277 O GLY A 81 7.288 -7.355 -9.696 1.00 0.00 O ATOM 0 H GLY A 81 4.794 -6.720 -7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.877 -8.648 -7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.611 -9.022 -8.869 1.00 0.00 H new ATOM 1281 N HIS A 82 6.197 -9.009 -10.764 1.00 0.00 N ATOM 1282 CA HIS A 82 7.092 -9.005 -11.915 1.00 0.00 C ATOM 1283 C HIS A 82 6.441 -8.308 -13.106 1.00 0.00 C ATOM 1284 O HIS A 82 5.266 -8.523 -13.397 1.00 0.00 O ATOM 1285 CB HIS A 82 7.478 -10.439 -12.291 1.00 0.00 C ATOM 1286 CG HIS A 82 8.938 -10.729 -12.125 1.00 0.00 C ATOM 1287 ND1 HIS A 82 9.726 -11.230 -13.139 1.00 0.00 N ATOM 1288 CD2 HIS A 82 9.753 -10.584 -11.054 1.00 0.00 C ATOM 1289 CE1 HIS A 82 10.962 -11.382 -12.699 1.00 0.00 C ATOM 1290 NE2 HIS A 82 11.006 -10.996 -11.438 1.00 0.00 N ATOM 0 H HIS A 82 5.444 -9.695 -10.817 1.00 0.00 H new ATOM 0 HA HIS A 82 7.993 -8.454 -11.645 1.00 0.00 H new ATOM 0 HB2 HIS A 82 6.906 -11.134 -11.676 1.00 0.00 H new ATOM 0 HB3 HIS A 82 7.195 -10.623 -13.327 1.00 0.00 H new ATOM 0 HD2 HIS A 82 9.471 -10.214 -10.080 1.00 0.00 H new ATOM 0 HE1 HIS A 82 11.795 -11.758 -13.274 1.00 0.00 H new ATOM 0 HE2 HIS A 82 11.836 -11.002 -10.845 1.00 0.00 H new ATOM 1299 N GLY A 83 7.215 -7.471 -13.790 1.00 0.00 N ATOM 1300 CA GLY A 83 6.697 -6.753 -14.940 1.00 0.00 C ATOM 1301 C GLY A 83 6.695 -5.252 -14.734 1.00 0.00 C ATOM 1302 O GLY A 83 6.521 -4.773 -13.613 1.00 0.00 O ATOM 0 H GLY A 83 8.192 -7.277 -13.568 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.298 -6.995 -15.817 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.681 -7.089 -15.147 1.00 0.00 H new ATOM 1306 N SER A 84 6.890 -4.507 -15.818 1.00 0.00 N ATOM 1307 CA SER A 84 6.912 -3.050 -15.749 1.00 0.00 C ATOM 1308 C SER A 84 8.020 -2.566 -14.819 1.00 0.00 C ATOM 1309 O SER A 84 7.788 -2.321 -13.635 1.00 0.00 O ATOM 1310 CB SER A 84 5.559 -2.521 -15.270 1.00 0.00 C ATOM 1311 OG SER A 84 4.643 -2.413 -16.346 1.00 0.00 O ATOM 0 H SER A 84 7.035 -4.888 -16.753 1.00 0.00 H new ATOM 0 HA SER A 84 7.110 -2.666 -16.750 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.153 -3.187 -14.509 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.692 -1.546 -14.802 1.00 0.00 H new ATOM 0 HG SER A 84 3.786 -2.074 -16.013 1.00 0.00 H new ATOM 1317 N VAL A 85 9.226 -2.432 -15.363 1.00 0.00 N ATOM 1318 CA VAL A 85 10.370 -1.980 -14.582 1.00 0.00 C ATOM 1319 C VAL A 85 10.418 -0.457 -14.505 1.00 0.00 C ATOM 1320 O VAL A 85 10.883 0.110 -13.515 1.00 0.00 O ATOM 1321 CB VAL A 85 11.695 -2.494 -15.175 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.855 -2.180 -14.244 1.00 0.00 C ATOM 1323 CG2 VAL A 85 11.611 -3.987 -15.452 1.00 0.00 C ATOM 0 H VAL A 85 9.435 -2.630 -16.341 1.00 0.00 H new ATOM 0 HA VAL A 85 10.247 -2.388 -13.579 1.00 0.00 H new ATOM 0 HB VAL A 85 11.872 -1.982 -16.121 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.782 -2.551 -14.680 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.926 -1.102 -14.103 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.689 -2.662 -13.281 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.556 -4.333 -15.871 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.410 -4.519 -14.522 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.807 -4.181 -16.162 1.00 0.00 H new ATOM 1333 N ASP A 86 9.936 0.200 -15.555 1.00 0.00 N ATOM 1334 CA ASP A 86 9.925 1.658 -15.606 1.00 0.00 C ATOM 1335 C ASP A 86 8.809 2.229 -14.738 1.00 0.00 C ATOM 1336 O ASP A 86 8.891 3.371 -14.287 1.00 0.00 O ATOM 1337 CB ASP A 86 9.763 2.141 -17.047 1.00 0.00 C ATOM 1338 CG ASP A 86 10.801 1.546 -17.978 1.00 0.00 C ATOM 1339 OD1 ASP A 86 11.924 2.089 -18.039 1.00 0.00 O ATOM 1340 OD2 ASP A 86 10.492 0.536 -18.645 1.00 0.00 O ATOM 0 H ASP A 86 9.548 -0.254 -16.382 1.00 0.00 H new ATOM 0 HA ASP A 86 10.879 2.013 -15.217 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.767 1.880 -17.404 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.837 3.228 -17.073 1.00 0.00 H new ATOM 1345 N THR A 87 7.773 1.430 -14.488 1.00 0.00 N ATOM 1346 CA THR A 87 6.668 1.877 -13.651 1.00 0.00 C ATOM 1347 C THR A 87 7.146 2.005 -12.214 1.00 0.00 C ATOM 1348 O THR A 87 6.730 2.901 -11.479 1.00 0.00 O ATOM 1349 CB THR A 87 5.483 0.902 -13.740 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.259 1.589 -13.554 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.532 -0.222 -12.719 1.00 0.00 C ATOM 0 H THR A 87 7.678 0.481 -14.850 1.00 0.00 H new ATOM 0 HA THR A 87 6.325 2.849 -14.006 1.00 0.00 H new ATOM 0 HB THR A 87 5.554 0.463 -14.735 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.515 0.954 -13.615 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.662 -0.867 -12.846 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.441 -0.806 -12.864 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.528 0.199 -11.714 1.00 0.00 H new ATOM 1359 N ALA A 88 8.042 1.101 -11.831 1.00 0.00 N ATOM 1360 CA ALA A 88 8.609 1.101 -10.494 1.00 0.00 C ATOM 1361 C ALA A 88 9.232 2.451 -10.186 1.00 0.00 C ATOM 1362 O ALA A 88 8.843 3.132 -9.240 1.00 0.00 O ATOM 1363 CB ALA A 88 9.651 0.001 -10.371 1.00 0.00 C ATOM 0 H ALA A 88 8.390 0.356 -12.434 1.00 0.00 H new ATOM 0 HA ALA A 88 7.812 0.914 -9.774 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.071 0.008 -9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.184 -0.965 -10.562 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.446 0.170 -11.097 1.00 0.00 H new ATOM 1369 N VAL A 89 10.199 2.829 -11.008 1.00 0.00 N ATOM 1370 CA VAL A 89 10.888 4.097 -10.849 1.00 0.00 C ATOM 1371 C VAL A 89 9.922 5.268 -11.008 1.00 0.00 C ATOM 1372 O VAL A 89 10.063 6.295 -10.347 1.00 0.00 O ATOM 1373 CB VAL A 89 12.029 4.236 -11.876 1.00 0.00 C ATOM 1374 CG1 VAL A 89 13.018 3.092 -11.726 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.478 4.285 -13.295 1.00 0.00 C ATOM 0 H VAL A 89 10.525 2.270 -11.797 1.00 0.00 H new ATOM 0 HA VAL A 89 11.308 4.115 -9.843 1.00 0.00 H new ATOM 0 HB VAL A 89 12.551 5.173 -11.683 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.818 3.204 -12.458 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.441 3.106 -10.721 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.506 2.144 -11.891 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.302 4.383 -14.002 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.928 3.367 -13.504 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.809 5.140 -13.396 1.00 0.00 H new ATOM 1385 N LYS A 90 8.943 5.102 -11.891 1.00 0.00 N ATOM 1386 CA LYS A 90 7.952 6.144 -12.142 1.00 0.00 C ATOM 1387 C LYS A 90 6.970 6.277 -10.981 1.00 0.00 C ATOM 1388 O LYS A 90 6.184 7.222 -10.932 1.00 0.00 O ATOM 1389 CB LYS A 90 7.187 5.842 -13.431 1.00 0.00 C ATOM 1390 CG LYS A 90 6.153 6.898 -13.786 1.00 0.00 C ATOM 1391 CD LYS A 90 5.680 6.754 -15.225 1.00 0.00 C ATOM 1392 CE LYS A 90 5.644 8.095 -15.942 1.00 0.00 C ATOM 1393 NZ LYS A 90 4.273 8.435 -16.414 1.00 0.00 N ATOM 0 H LYS A 90 8.814 4.256 -12.445 1.00 0.00 H new ATOM 0 HA LYS A 90 8.485 7.089 -12.245 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.898 5.751 -14.252 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.689 4.877 -13.331 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.301 6.815 -13.112 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.580 7.890 -13.640 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.343 6.073 -15.759 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.686 6.307 -15.238 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.001 8.876 -15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.325 8.070 -16.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.330 9.175 -17.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.824 7.587 -16.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.706 8.780 -15.613 1.00 0.00 H new ATOM 1407 N ALA A 91 7.008 5.325 -10.053 1.00 0.00 N ATOM 1408 CA ALA A 91 6.107 5.349 -8.908 1.00 0.00 C ATOM 1409 C ALA A 91 6.837 5.729 -7.624 1.00 0.00 C ATOM 1410 O ALA A 91 6.237 6.281 -6.703 1.00 0.00 O ATOM 1411 CB ALA A 91 5.427 3.999 -8.749 1.00 0.00 C ATOM 0 H ALA A 91 7.650 4.532 -10.072 1.00 0.00 H new ATOM 0 HA ALA A 91 5.351 6.112 -9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.756 4.028 -7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.855 3.771 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.181 3.228 -8.594 1.00 0.00 H new ATOM 1417 N ILE A 92 8.130 5.425 -7.561 1.00 0.00 N ATOM 1418 CA ILE A 92 8.925 5.732 -6.376 1.00 0.00 C ATOM 1419 C ILE A 92 9.521 7.136 -6.443 1.00 0.00 C ATOM 1420 O ILE A 92 9.629 7.820 -5.426 1.00 0.00 O ATOM 1421 CB ILE A 92 10.053 4.700 -6.170 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.124 4.837 -7.256 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.476 3.293 -6.167 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.180 3.752 -7.202 1.00 0.00 C ATOM 0 H ILE A 92 8.648 4.969 -8.312 1.00 0.00 H new ATOM 0 HA ILE A 92 8.245 5.685 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 92 10.525 4.891 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.643 4.817 -8.234 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.607 5.809 -7.158 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.279 2.571 -6.021 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.752 3.199 -5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.983 3.100 -7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.906 3.911 -7.999 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.687 3.785 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.708 2.778 -7.330 1.00 0.00 H new ATOM 1436 N LYS A 93 9.903 7.564 -7.642 1.00 0.00 N ATOM 1437 CA LYS A 93 10.483 8.891 -7.822 1.00 0.00 C ATOM 1438 C LYS A 93 9.490 9.973 -7.411 1.00 0.00 C ATOM 1439 O LYS A 93 9.879 11.040 -6.936 1.00 0.00 O ATOM 1440 CB LYS A 93 10.913 9.097 -9.276 1.00 0.00 C ATOM 1441 CG LYS A 93 12.410 8.937 -9.496 1.00 0.00 C ATOM 1442 CD LYS A 93 12.720 7.779 -10.432 1.00 0.00 C ATOM 1443 CE LYS A 93 13.202 6.555 -9.669 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.514 6.065 -10.175 1.00 0.00 N ATOM 0 H LYS A 93 9.822 7.016 -8.498 1.00 0.00 H new ATOM 0 HA LYS A 93 11.363 8.966 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.383 8.384 -9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.611 10.094 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.818 9.859 -9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.903 8.773 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.828 7.524 -11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.482 8.084 -11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.290 6.799 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.461 5.760 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.703 5.118 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.490 6.018 -11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.267 6.717 -9.876 1.00 0.00 H new ATOM 1458 N LYS A 94 8.204 9.688 -7.595 1.00 0.00 N ATOM 1459 CA LYS A 94 7.154 10.635 -7.240 1.00 0.00 C ATOM 1460 C LYS A 94 7.199 10.958 -5.750 1.00 0.00 C ATOM 1461 O LYS A 94 7.473 12.093 -5.360 1.00 0.00 O ATOM 1462 CB LYS A 94 5.784 10.075 -7.613 1.00 0.00 C ATOM 1463 CG LYS A 94 5.487 10.138 -9.104 1.00 0.00 C ATOM 1464 CD LYS A 94 4.281 11.015 -9.398 1.00 0.00 C ATOM 1465 CE LYS A 94 4.561 12.475 -9.076 1.00 0.00 C ATOM 1466 NZ LYS A 94 5.435 13.112 -10.100 1.00 0.00 N ATOM 0 H LYS A 94 7.865 8.810 -7.988 1.00 0.00 H new ATOM 0 HA LYS A 94 7.323 11.555 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.722 9.038 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.015 10.629 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.357 10.526 -9.633 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.307 9.132 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.008 10.919 -10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.428 10.670 -8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.619 13.020 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.037 12.546 -8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.547 14.123 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.368 12.652 -10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.002 13.007 -11.040 1.00 0.00 H new ATOM 1480 N GLY A 95 6.932 9.952 -4.922 1.00 0.00 N ATOM 1481 CA GLY A 95 6.951 10.156 -3.484 1.00 0.00 C ATOM 1482 C GLY A 95 6.770 8.868 -2.698 1.00 0.00 C ATOM 1483 O GLY A 95 6.306 8.895 -1.558 1.00 0.00 O ATOM 0 H GLY A 95 6.704 9.003 -5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.897 10.618 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.161 10.855 -3.212 1.00 0.00 H new ATOM 1487 N ALA A 96 7.139 7.740 -3.300 1.00 0.00 N ATOM 1488 CA ALA A 96 7.014 6.450 -2.634 1.00 0.00 C ATOM 1489 C ALA A 96 8.284 6.111 -1.863 1.00 0.00 C ATOM 1490 O ALA A 96 9.146 6.967 -1.662 1.00 0.00 O ATOM 1491 CB ALA A 96 6.694 5.359 -3.647 1.00 0.00 C ATOM 0 H ALA A 96 7.525 7.695 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 96 6.193 6.512 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.604 4.401 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.755 5.592 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.494 5.301 -4.385 1.00 0.00 H new ATOM 1497 N TYR A 97 8.396 4.858 -1.434 1.00 0.00 N ATOM 1498 CA TYR A 97 9.563 4.411 -0.687 1.00 0.00 C ATOM 1499 C TYR A 97 10.434 3.475 -1.525 1.00 0.00 C ATOM 1500 O TYR A 97 11.602 3.259 -1.208 1.00 0.00 O ATOM 1501 CB TYR A 97 9.127 3.721 0.613 1.00 0.00 C ATOM 1502 CG TYR A 97 10.254 3.046 1.363 1.00 0.00 C ATOM 1503 CD1 TYR A 97 11.246 3.792 1.985 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.323 1.661 1.449 1.00 0.00 C ATOM 1505 CE1 TYR A 97 12.275 3.177 2.672 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.349 1.039 2.135 1.00 0.00 C ATOM 1507 CZ TYR A 97 12.322 1.801 2.745 1.00 0.00 C ATOM 1508 OH TYR A 97 13.346 1.187 3.430 1.00 0.00 O ATOM 0 H TYR A 97 7.693 4.136 -1.591 1.00 0.00 H new ATOM 0 HA TYR A 97 10.162 5.287 -0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.662 4.460 1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.365 2.978 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 97 11.213 4.870 1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.562 1.061 0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.039 3.772 3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.388 -0.039 2.193 1.00 0.00 H new ATOM 0 HH TYR A 97 13.232 0.215 3.387 1.00 0.00 H new ATOM 1518 N GLU A 98 9.849 2.937 -2.597 1.00 0.00 N ATOM 1519 CA GLU A 98 10.539 2.019 -3.517 1.00 0.00 C ATOM 1520 C GLU A 98 9.537 1.072 -4.174 1.00 0.00 C ATOM 1521 O GLU A 98 8.327 1.211 -3.993 1.00 0.00 O ATOM 1522 CB GLU A 98 11.615 1.192 -2.798 1.00 0.00 C ATOM 1523 CG GLU A 98 11.089 0.413 -1.602 1.00 0.00 C ATOM 1524 CD GLU A 98 12.198 -0.231 -0.792 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.219 0.444 -0.543 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.044 -1.409 -0.407 1.00 0.00 O ATOM 0 H GLU A 98 8.880 3.124 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 98 11.025 2.631 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.059 0.494 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.411 1.858 -2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.517 1.083 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.402 -0.359 -1.949 1.00 0.00 H new ATOM 1533 N PHE A 99 10.049 0.105 -4.930 1.00 0.00 N ATOM 1534 CA PHE A 99 9.202 -0.871 -5.607 1.00 0.00 C ATOM 1535 C PHE A 99 9.578 -2.289 -5.188 1.00 0.00 C ATOM 1536 O PHE A 99 10.436 -2.921 -5.804 1.00 0.00 O ATOM 1537 CB PHE A 99 9.336 -0.725 -7.124 1.00 0.00 C ATOM 1538 CG PHE A 99 8.020 -0.666 -7.850 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.116 0.353 -7.596 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.695 -1.625 -8.797 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.911 0.413 -8.273 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.492 -1.571 -9.475 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.600 -0.550 -9.213 1.00 0.00 C ATOM 0 H PHE A 99 11.048 -0.023 -5.089 1.00 0.00 H new ATOM 0 HA PHE A 99 8.167 -0.684 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.901 0.181 -7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.915 -1.564 -7.510 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.355 1.108 -6.862 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.390 -2.424 -9.007 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.214 1.212 -8.067 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.250 -2.326 -10.208 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.660 -0.504 -9.743 1.00 0.00 H new ATOM 1553 N LEU A 100 8.934 -2.782 -4.136 1.00 0.00 N ATOM 1554 CA LEU A 100 9.202 -4.123 -3.628 1.00 0.00 C ATOM 1555 C LEU A 100 9.151 -5.161 -4.746 1.00 0.00 C ATOM 1556 O LEU A 100 8.079 -5.491 -5.255 1.00 0.00 O ATOM 1557 CB LEU A 100 8.189 -4.476 -2.539 1.00 0.00 C ATOM 1558 CG LEU A 100 8.577 -5.645 -1.630 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.031 -5.536 -1.192 1.00 0.00 C ATOM 1560 CD2 LEU A 100 7.659 -5.690 -0.422 1.00 0.00 C ATOM 0 H LEU A 100 8.220 -2.271 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 100 10.207 -4.132 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.027 -3.595 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.237 -4.710 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 100 8.466 -6.572 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.281 -6.379 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.677 -5.547 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.177 -4.605 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.942 -6.525 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.746 -4.758 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.629 -5.820 -0.753 1.00 0.00 H new ATOM 1572 N GLU A 101 10.319 -5.672 -5.123 1.00 0.00 N ATOM 1573 CA GLU A 101 10.413 -6.673 -6.179 1.00 0.00 C ATOM 1574 C GLU A 101 10.434 -8.082 -5.592 1.00 0.00 C ATOM 1575 O GLU A 101 10.201 -8.270 -4.398 1.00 0.00 O ATOM 1576 CB GLU A 101 11.670 -6.438 -7.019 1.00 0.00 C ATOM 1577 CG GLU A 101 12.963 -6.622 -6.241 1.00 0.00 C ATOM 1578 CD GLU A 101 14.164 -6.826 -7.145 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.979 -7.327 -8.274 1.00 0.00 O ATOM 1580 OE2 GLU A 101 15.289 -6.485 -6.723 1.00 0.00 O ATOM 0 H GLU A 101 11.215 -5.409 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 101 9.534 -6.579 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.664 -7.124 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.641 -5.427 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.131 -5.748 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.864 -7.480 -5.576 1.00 0.00 H new ATOM 1587 N LYS A 102 10.716 -9.068 -6.438 1.00 0.00 N ATOM 1588 CA LYS A 102 10.768 -10.459 -6.001 1.00 0.00 C ATOM 1589 C LYS A 102 9.418 -10.905 -5.445 1.00 0.00 C ATOM 1590 O LYS A 102 9.219 -10.943 -4.231 1.00 0.00 O ATOM 1591 CB LYS A 102 11.855 -10.643 -4.941 1.00 0.00 C ATOM 1592 CG LYS A 102 13.254 -10.325 -5.443 1.00 0.00 C ATOM 1593 CD LYS A 102 14.223 -10.110 -4.293 1.00 0.00 C ATOM 1594 CE LYS A 102 15.572 -9.613 -4.786 1.00 0.00 C ATOM 1595 NZ LYS A 102 16.622 -9.720 -3.736 1.00 0.00 N ATOM 0 H LYS A 102 10.912 -8.930 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 102 11.007 -11.077 -6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.630 -10.004 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.832 -11.672 -4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.610 -11.141 -6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 102 13.224 -9.431 -6.066 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.803 -9.389 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.356 -11.045 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.873 -10.189 -5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.482 -8.574 -5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.526 -9.371 -4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.347 -9.150 -2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.727 -10.714 -3.450 1.00 0.00 H new ATOM 1609 N PRO A 103 8.469 -11.249 -6.333 1.00 0.00 N ATOM 1610 CA PRO A 103 7.131 -11.694 -5.925 1.00 0.00 C ATOM 1611 C PRO A 103 7.155 -13.073 -5.277 1.00 0.00 C ATOM 1612 O PRO A 103 8.218 -13.667 -5.095 1.00 0.00 O ATOM 1613 CB PRO A 103 6.356 -11.734 -7.243 1.00 0.00 C ATOM 1614 CG PRO A 103 7.394 -11.947 -8.287 1.00 0.00 C ATOM 1615 CD PRO A 103 8.623 -11.233 -7.800 1.00 0.00 C ATOM 0 HA PRO A 103 6.690 -11.036 -5.176 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.621 -12.539 -7.246 1.00 0.00 H new ATOM 0 HB3 PRO A 103 5.811 -10.805 -7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.591 -13.009 -8.430 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.068 -11.551 -9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.534 -11.742 -8.114 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.677 -10.216 -8.187 1.00 0.00 H new ATOM 1623 N PHE A 104 5.975 -13.579 -4.931 1.00 0.00 N ATOM 1624 CA PHE A 104 5.861 -14.890 -4.301 1.00 0.00 C ATOM 1625 C PHE A 104 6.627 -14.929 -2.983 1.00 0.00 C ATOM 1626 O PHE A 104 7.148 -15.971 -2.587 1.00 0.00 O ATOM 1627 CB PHE A 104 6.384 -15.977 -5.242 1.00 0.00 C ATOM 1628 CG PHE A 104 5.313 -16.606 -6.085 1.00 0.00 C ATOM 1629 CD1 PHE A 104 4.547 -17.650 -5.590 1.00 0.00 C ATOM 1630 CD2 PHE A 104 5.070 -16.155 -7.373 1.00 0.00 C ATOM 1631 CE1 PHE A 104 3.560 -18.231 -6.363 1.00 0.00 C ATOM 1632 CE2 PHE A 104 4.085 -16.733 -8.150 1.00 0.00 C ATOM 1633 CZ PHE A 104 3.328 -17.773 -7.645 1.00 0.00 C ATOM 0 H PHE A 104 5.085 -13.102 -5.076 1.00 0.00 H new ATOM 0 HA PHE A 104 4.807 -15.076 -4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.143 -15.547 -5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.873 -16.752 -4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.724 -18.013 -4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.658 -15.342 -7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.970 -19.043 -5.965 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.906 -16.372 -9.152 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.557 -18.226 -8.251 1.00 0.00 H new ATOM 1643 N SER A 105 6.693 -13.785 -2.308 1.00 0.00 N ATOM 1644 CA SER A 105 7.395 -13.690 -1.035 1.00 0.00 C ATOM 1645 C SER A 105 6.940 -12.461 -0.252 1.00 0.00 C ATOM 1646 O SER A 105 7.644 -11.454 -0.192 1.00 0.00 O ATOM 1647 CB SER A 105 8.907 -13.631 -1.264 1.00 0.00 C ATOM 1648 OG SER A 105 9.343 -14.717 -2.064 1.00 0.00 O ATOM 0 H SER A 105 6.269 -12.912 -2.622 1.00 0.00 H new ATOM 0 HA SER A 105 7.157 -14.579 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.168 -12.690 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.425 -13.651 -0.305 1.00 0.00 H new ATOM 0 HG SER A 105 8.678 -15.436 -2.030 1.00 0.00 H new ATOM 1654 N VAL A 106 5.757 -12.553 0.346 1.00 0.00 N ATOM 1655 CA VAL A 106 5.208 -11.450 1.125 1.00 0.00 C ATOM 1656 C VAL A 106 5.884 -11.353 2.491 1.00 0.00 C ATOM 1657 O VAL A 106 5.984 -10.272 3.070 1.00 0.00 O ATOM 1658 CB VAL A 106 3.686 -11.598 1.315 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.359 -12.879 2.069 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.110 -10.382 2.029 1.00 0.00 C ATOM 0 H VAL A 106 5.161 -13.379 0.306 1.00 0.00 H new ATOM 0 HA VAL A 106 5.403 -10.535 0.565 1.00 0.00 H new ATOM 0 HB VAL A 106 3.224 -11.660 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.279 -12.963 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.728 -13.737 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.835 -12.856 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.034 -10.508 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.578 -10.279 3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.305 -9.487 1.438 1.00 0.00 H new ATOM 1670 N GLU A 107 6.354 -12.489 3.002 1.00 0.00 N ATOM 1671 CA GLU A 107 7.025 -12.519 4.297 1.00 0.00 C ATOM 1672 C GLU A 107 8.095 -11.434 4.374 1.00 0.00 C ATOM 1673 O GLU A 107 8.289 -10.810 5.418 1.00 0.00 O ATOM 1674 CB GLU A 107 7.651 -13.889 4.537 1.00 0.00 C ATOM 1675 CG GLU A 107 7.894 -14.196 6.005 1.00 0.00 C ATOM 1676 CD GLU A 107 9.230 -14.873 6.246 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.254 -14.358 5.750 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.251 -15.917 6.931 1.00 0.00 O ATOM 0 H GLU A 107 6.283 -13.396 2.541 1.00 0.00 H new ATOM 0 HA GLU A 107 6.282 -12.329 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.000 -14.656 4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.598 -13.946 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.852 -13.270 6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.094 -14.837 6.376 1.00 0.00 H new ATOM 1685 N ARG A 108 8.775 -11.202 3.254 1.00 0.00 N ATOM 1686 CA ARG A 108 9.812 -10.180 3.189 1.00 0.00 C ATOM 1687 C ARG A 108 9.182 -8.798 3.312 1.00 0.00 C ATOM 1688 O ARG A 108 9.712 -7.918 3.989 1.00 0.00 O ATOM 1689 CB ARG A 108 10.590 -10.287 1.876 1.00 0.00 C ATOM 1690 CG ARG A 108 11.909 -9.531 1.888 1.00 0.00 C ATOM 1691 CD ARG A 108 13.003 -10.331 2.577 1.00 0.00 C ATOM 1692 NE ARG A 108 14.337 -9.924 2.140 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.904 -8.764 2.469 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.257 -7.896 3.237 1.00 0.00 N ATOM 1695 NH2 ARG A 108 16.119 -8.473 2.027 1.00 0.00 N ATOM 0 H ARG A 108 8.626 -11.708 2.381 1.00 0.00 H new ATOM 0 HA ARG A 108 10.507 -10.333 4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.785 -11.338 1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.970 -9.907 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.210 -9.307 0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.778 -8.577 2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.920 -10.203 3.656 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.862 -11.392 2.370 1.00 0.00 H new ATOM 0 HE ARG A 108 14.865 -10.566 1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.321 -8.116 3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.696 -7.009 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.619 -9.137 1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.554 -7.585 2.278 1.00 0.00 H new ATOM 1709 N PHE A 109 8.035 -8.626 2.663 1.00 0.00 N ATOM 1710 CA PHE A 109 7.306 -7.364 2.705 1.00 0.00 C ATOM 1711 C PHE A 109 6.981 -6.996 4.153 1.00 0.00 C ATOM 1712 O PHE A 109 6.842 -5.821 4.492 1.00 0.00 O ATOM 1713 CB PHE A 109 6.024 -7.477 1.866 1.00 0.00 C ATOM 1714 CG PHE A 109 4.967 -6.459 2.198 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.149 -6.626 3.304 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.789 -5.341 1.401 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.173 -5.697 3.609 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.814 -4.409 1.698 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.005 -4.586 2.803 1.00 0.00 C ATOM 0 H PHE A 109 7.589 -9.349 2.099 1.00 0.00 H new ATOM 0 HA PHE A 109 7.926 -6.573 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.285 -7.380 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.604 -8.474 2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.276 -7.493 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.420 -5.196 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.543 -5.838 4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.684 -3.542 1.067 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.242 -3.858 3.037 1.00 0.00 H new ATOM 1729 N LEU A 110 6.871 -8.016 4.999 1.00 0.00 N ATOM 1730 CA LEU A 110 6.574 -7.821 6.412 1.00 0.00 C ATOM 1731 C LEU A 110 7.615 -6.926 7.074 1.00 0.00 C ATOM 1732 O LEU A 110 7.279 -5.983 7.791 1.00 0.00 O ATOM 1733 CB LEU A 110 6.539 -9.165 7.123 1.00 0.00 C ATOM 1734 CG LEU A 110 5.487 -9.284 8.225 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.320 -10.735 8.637 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.869 -8.425 9.422 1.00 0.00 C ATOM 0 H LEU A 110 6.984 -8.992 4.726 1.00 0.00 H new ATOM 0 HA LEU A 110 5.601 -7.336 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.359 -9.946 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.521 -9.356 7.556 1.00 0.00 H new ATOM 0 HG LEU A 110 4.534 -8.923 7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.568 -10.806 9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.002 -11.323 7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.270 -11.119 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.109 -8.522 10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.831 -8.755 9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.941 -7.382 9.113 1.00 0.00 H new ATOM 1748 N LEU A 111 8.882 -7.242 6.834 1.00 0.00 N ATOM 1749 CA LEU A 111 9.989 -6.485 7.408 1.00 0.00 C ATOM 1750 C LEU A 111 9.848 -4.995 7.122 1.00 0.00 C ATOM 1751 O LEU A 111 9.897 -4.171 8.036 1.00 0.00 O ATOM 1752 CB LEU A 111 11.320 -6.993 6.857 1.00 0.00 C ATOM 1753 CG LEU A 111 11.818 -8.303 7.471 1.00 0.00 C ATOM 1754 CD1 LEU A 111 10.934 -9.464 7.042 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.265 -8.557 7.076 1.00 0.00 C ATOM 0 H LEU A 111 9.170 -8.022 6.243 1.00 0.00 H new ATOM 0 HA LEU A 111 9.966 -6.630 8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.222 -7.129 5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.077 -6.225 7.014 1.00 0.00 H new ATOM 0 HG LEU A 111 11.767 -8.218 8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.304 -10.387 7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.911 -9.285 7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 111 10.953 -9.553 5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.605 -9.492 7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.340 -8.623 5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.889 -7.738 7.434 1.00 0.00 H new ATOM 1767 N THR A 112 9.680 -4.653 5.850 1.00 0.00 N ATOM 1768 CA THR A 112 9.539 -3.258 5.442 1.00 0.00 C ATOM 1769 C THR A 112 8.455 -2.549 6.249 1.00 0.00 C ATOM 1770 O THR A 112 8.719 -1.540 6.901 1.00 0.00 O ATOM 1771 CB THR A 112 9.216 -3.175 3.950 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.212 -3.829 3.184 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.104 -1.754 3.438 1.00 0.00 C ATOM 0 H THR A 112 9.638 -5.323 5.082 1.00 0.00 H new ATOM 0 HA THR A 112 10.487 -2.756 5.635 1.00 0.00 H new ATOM 0 HB THR A 112 8.247 -3.662 3.838 1.00 0.00 H new ATOM 0 HG1 THR A 112 9.986 -3.766 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 112 8.873 -1.768 2.373 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.309 -1.236 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.049 -1.234 3.598 1.00 0.00 H new ATOM 1781 N ILE A 113 7.231 -3.077 6.180 1.00 0.00 N ATOM 1782 CA ILE A 113 6.085 -2.498 6.885 1.00 0.00 C ATOM 1783 C ILE A 113 6.493 -1.857 8.207 1.00 0.00 C ATOM 1784 O ILE A 113 6.363 -0.644 8.377 1.00 0.00 O ATOM 1785 CB ILE A 113 4.987 -3.560 7.131 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.170 -3.776 5.856 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.074 -3.154 8.283 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.374 -2.560 5.436 1.00 0.00 C ATOM 0 H ILE A 113 7.007 -3.912 5.638 1.00 0.00 H new ATOM 0 HA ILE A 113 5.683 -1.716 6.241 1.00 0.00 H new ATOM 0 HB ILE A 113 5.475 -4.496 7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.843 -4.057 5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.488 -4.612 6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.313 -3.920 8.431 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.663 -3.047 9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.592 -2.205 8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.819 -2.785 4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.676 -2.290 6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.052 -1.727 5.251 1.00 0.00 H new ATOM 1800 N LYS A 114 7.003 -2.661 9.134 1.00 0.00 N ATOM 1801 CA LYS A 114 7.441 -2.134 10.421 1.00 0.00 C ATOM 1802 C LYS A 114 8.344 -0.932 10.186 1.00 0.00 C ATOM 1803 O LYS A 114 8.052 0.183 10.619 1.00 0.00 O ATOM 1804 CB LYS A 114 8.179 -3.206 11.217 1.00 0.00 C ATOM 1805 CG LYS A 114 7.923 -3.140 12.714 1.00 0.00 C ATOM 1806 CD LYS A 114 8.484 -1.863 13.324 1.00 0.00 C ATOM 1807 CE LYS A 114 7.383 -0.990 13.907 1.00 0.00 C ATOM 1808 NZ LYS A 114 7.320 -1.091 15.392 1.00 0.00 N ATOM 0 H LYS A 114 7.122 -3.668 9.021 1.00 0.00 H new ATOM 0 HA LYS A 114 6.570 -1.826 10.999 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.882 -4.188 10.849 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.249 -3.108 11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.851 -3.193 12.903 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.375 -4.005 13.199 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.200 -2.117 14.106 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.028 -1.304 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.553 0.048 13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.423 -1.284 13.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.501 -1.671 15.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.192 -1.533 15.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.223 -0.140 15.801 1.00 0.00 H new ATOM 1822 N HIS A 115 9.436 -1.178 9.473 1.00 0.00 N ATOM 1823 CA HIS A 115 10.391 -0.130 9.144 1.00 0.00 C ATOM 1824 C HIS A 115 9.681 1.071 8.520 1.00 0.00 C ATOM 1825 O HIS A 115 10.151 2.204 8.629 1.00 0.00 O ATOM 1826 CB HIS A 115 11.457 -0.660 8.188 1.00 0.00 C ATOM 1827 CG HIS A 115 12.411 -1.621 8.828 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.083 -2.928 9.115 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.692 -1.457 9.236 1.00 0.00 C ATOM 1830 CE1 HIS A 115 13.120 -3.528 9.672 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.109 -2.657 9.756 1.00 0.00 N ATOM 0 H HIS A 115 9.682 -2.099 9.110 1.00 0.00 H new ATOM 0 HA HIS A 115 10.873 0.191 10.067 1.00 0.00 H new ATOM 0 HB2 HIS A 115 10.967 -1.152 7.348 1.00 0.00 H new ATOM 0 HB3 HIS A 115 12.019 0.181 7.781 1.00 0.00 H new ATOM 0 HD1 HIS A 115 11.180 -3.364 8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.276 -0.551 9.165 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.153 -4.556 10.002 1.00 0.00 H new ATOM 1840 N ALA A 116 8.544 0.820 7.867 1.00 0.00 N ATOM 1841 CA ALA A 116 7.778 1.888 7.235 1.00 0.00 C ATOM 1842 C ALA A 116 7.099 2.768 8.281 1.00 0.00 C ATOM 1843 O ALA A 116 6.974 3.979 8.101 1.00 0.00 O ATOM 1844 CB ALA A 116 6.745 1.304 6.284 1.00 0.00 C ATOM 0 H ALA A 116 8.138 -0.110 7.764 1.00 0.00 H new ATOM 0 HA ALA A 116 8.469 2.510 6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.180 2.112 5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.249 0.723 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.064 0.658 6.838 1.00 0.00 H new ATOM 1850 N PHE A 117 6.664 2.148 9.374 1.00 0.00 N ATOM 1851 CA PHE A 117 5.996 2.871 10.451 1.00 0.00 C ATOM 1852 C PHE A 117 6.986 3.738 11.223 1.00 0.00 C ATOM 1853 O PHE A 117 6.665 4.859 11.621 1.00 0.00 O ATOM 1854 CB PHE A 117 5.315 1.889 11.407 1.00 0.00 C ATOM 1855 CG PHE A 117 3.967 1.422 10.935 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.852 0.309 10.117 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.815 2.093 11.313 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.615 -0.125 9.687 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.574 1.662 10.883 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.475 0.552 10.069 1.00 0.00 C ATOM 0 H PHE A 117 6.762 1.146 9.537 1.00 0.00 H new ATOM 0 HA PHE A 117 5.242 3.519 10.004 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.962 1.023 11.545 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.204 2.363 12.382 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.740 -0.224 9.813 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.888 2.962 11.950 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.539 -0.995 9.051 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.683 2.193 11.184 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.507 0.214 9.731 1.00 0.00 H new ATOM 1870 N GLU A 118 8.187 3.211 11.439 1.00 0.00 N ATOM 1871 CA GLU A 118 9.220 3.935 12.172 1.00 0.00 C ATOM 1872 C GLU A 118 9.924 4.951 11.278 1.00 0.00 C ATOM 1873 O GLU A 118 10.285 6.040 11.726 1.00 0.00 O ATOM 1874 CB GLU A 118 10.243 2.954 12.750 1.00 0.00 C ATOM 1875 CG GLU A 118 9.617 1.843 13.578 1.00 0.00 C ATOM 1876 CD GLU A 118 9.600 2.161 15.061 1.00 0.00 C ATOM 1877 OE1 GLU A 118 9.023 3.203 15.438 1.00 0.00 O ATOM 1878 OE2 GLU A 118 10.163 1.368 15.845 1.00 0.00 O ATOM 0 H GLU A 118 8.469 2.285 11.117 1.00 0.00 H new ATOM 0 HA GLU A 118 8.737 4.475 12.986 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.812 2.511 11.933 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.951 3.503 13.370 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.597 1.670 13.235 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.169 0.918 13.415 1.00 0.00 H new ATOM 1885 N GLU A 119 10.119 4.590 10.014 1.00 0.00 N ATOM 1886 CA GLU A 119 10.784 5.474 9.062 1.00 0.00 C ATOM 1887 C GLU A 119 9.875 6.625 8.632 1.00 0.00 C ATOM 1888 O GLU A 119 10.308 7.534 7.924 1.00 0.00 O ATOM 1889 CB GLU A 119 11.243 4.688 7.836 1.00 0.00 C ATOM 1890 CG GLU A 119 12.412 3.757 8.113 1.00 0.00 C ATOM 1891 CD GLU A 119 12.754 2.882 6.924 1.00 0.00 C ATOM 1892 OE1 GLU A 119 12.387 3.252 5.789 1.00 0.00 O ATOM 1893 OE2 GLU A 119 13.391 1.825 7.127 1.00 0.00 O ATOM 0 H GLU A 119 9.827 3.693 9.625 1.00 0.00 H new ATOM 0 HA GLU A 119 11.653 5.900 9.563 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.406 4.103 7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.526 5.389 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.286 4.348 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.173 3.125 8.968 1.00 0.00 H new ATOM 1900 N TYR A 120 8.617 6.583 9.060 1.00 0.00 N ATOM 1901 CA TYR A 120 7.659 7.626 8.712 1.00 0.00 C ATOM 1902 C TYR A 120 6.684 7.873 9.859 1.00 0.00 C ATOM 1903 O TYR A 120 5.483 8.040 9.642 1.00 0.00 O ATOM 1904 CB TYR A 120 6.895 7.242 7.444 1.00 0.00 C ATOM 1905 CG TYR A 120 6.836 8.349 6.414 1.00 0.00 C ATOM 1906 CD1 TYR A 120 6.270 9.580 6.722 1.00 0.00 C ATOM 1907 CD2 TYR A 120 7.347 8.162 5.136 1.00 0.00 C ATOM 1908 CE1 TYR A 120 6.215 10.593 5.784 1.00 0.00 C ATOM 1909 CE2 TYR A 120 7.297 9.171 4.194 1.00 0.00 C ATOM 1910 CZ TYR A 120 6.729 10.384 4.522 1.00 0.00 C ATOM 1911 OH TYR A 120 6.677 11.391 3.586 1.00 0.00 O ATOM 0 H TYR A 120 8.238 5.840 9.647 1.00 0.00 H new ATOM 0 HA TYR A 120 8.211 8.548 8.527 1.00 0.00 H new ATOM 0 HB2 TYR A 120 7.366 6.366 6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.879 6.955 7.715 1.00 0.00 H new ATOM 0 HD1 TYR A 120 5.867 9.748 7.710 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.790 7.213 4.875 1.00 0.00 H new ATOM 0 HE1 TYR A 120 5.771 11.544 6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.701 9.011 3.205 1.00 0.00 H new ATOM 0 HH TYR A 120 5.874 11.933 3.733 1.00 0.00 H new ATOM 1921 N SER A 121 7.208 7.897 11.081 1.00 0.00 N ATOM 1922 CA SER A 121 6.384 8.124 12.263 1.00 0.00 C ATOM 1923 C SER A 121 6.093 9.610 12.445 1.00 0.00 C ATOM 1924 O SER A 121 5.978 10.355 11.471 1.00 0.00 O ATOM 1925 CB SER A 121 7.078 7.572 13.508 1.00 0.00 C ATOM 1926 OG SER A 121 8.393 8.088 13.632 1.00 0.00 O ATOM 0 H SER A 121 8.200 7.762 11.278 1.00 0.00 H new ATOM 0 HA SER A 121 5.438 7.601 12.122 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.498 7.829 14.395 1.00 0.00 H new ATOM 0 HB3 SER A 121 7.115 6.484 13.455 1.00 0.00 H new ATOM 0 HG SER A 121 8.814 7.720 14.437 1.00 0.00 H new TER 1932 SER A 121