USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 748 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 11 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.25) USER MOD Set 1.2: A 93 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 63 TYR OH : rot -114:sc= 0.915 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0.388 USER MOD Set 3.1: A 52 SER OG : rot -160:sc= 0 USER MOD Set 3.2: A 58 THR OG1 : rot 140:sc=-0.00961 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0353 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 9:sc= 0.47 USER MOD Single : A 5 SER OG : rot -151:sc= 0.579 USER MOD Single : A 6 SER OG : rot 180:sc= 0.025 USER MOD Single : A 9 MET CE :methyl 174:sc= -0.56 (180deg=-0.585) USER MOD Single : A 10 LYS NZ :NH3+ -165:sc=-0.00501 (180deg=-0.101) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.2) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.774 K(o=-0.77,f=-3.3!) USER MOD Single : A 35 THR OG1 : rot -146:sc= 0.0847 USER MOD Single : A 38 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -1.95 (180deg=-2.32) USER MOD Single : A 46 ASN : amide:sc= -1.29 K(o=-1.3,f=-9.6!) USER MOD Single : A 47 ASN : amide:sc= -0.285 K(o=-0.28,f=-2.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 157:sc= -0.0408 (180deg=-0.43) USER MOD Single : A 62 ASN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 80 MET CE :methyl -176:sc= -2.58! (180deg=-2.62!) USER MOD Single : A 82 TYR OH : rot 15:sc= -0.219 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0785 X(o=-0.079,f=-0.28) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0365 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.474 4.101 5.770 1.00 0.00 N ATOM 2 CA GLY A 1 21.099 4.113 5.199 1.00 0.00 C ATOM 3 C GLY A 1 20.901 5.222 4.185 1.00 0.00 C ATOM 4 O GLY A 1 21.863 5.708 3.590 1.00 0.00 O ATOM 0 H1 GLY A 1 22.885 3.152 5.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.065 4.792 5.266 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.433 4.351 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.897 3.152 4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.375 4.229 6.006 1.00 0.00 H new ATOM 10 N SER A 2 19.650 5.624 3.986 1.00 0.00 N ATOM 11 CA SER A 2 19.328 6.683 3.038 1.00 0.00 C ATOM 12 C SER A 2 18.417 7.727 3.674 1.00 0.00 C ATOM 13 O SER A 2 18.195 7.715 4.885 1.00 0.00 O ATOM 14 CB SER A 2 18.659 6.096 1.794 1.00 0.00 C ATOM 15 OG SER A 2 17.283 5.846 2.024 1.00 0.00 O ATOM 0 H SER A 2 18.842 5.232 4.469 1.00 0.00 H new ATOM 0 HA SER A 2 20.259 7.170 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.772 6.786 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.158 5.169 1.512 1.00 0.00 H new ATOM 0 HG SER A 2 16.878 5.473 1.213 1.00 0.00 H new ATOM 21 N SER A 3 17.892 8.628 2.852 1.00 0.00 N ATOM 22 CA SER A 3 17.005 9.679 3.334 1.00 0.00 C ATOM 23 C SER A 3 16.052 10.136 2.235 1.00 0.00 C ATOM 24 O SER A 3 16.419 10.181 1.061 1.00 0.00 O ATOM 25 CB SER A 3 17.820 10.869 3.846 1.00 0.00 C ATOM 26 OG SER A 3 18.445 10.566 5.080 1.00 0.00 O ATOM 0 H SER A 3 18.066 8.651 1.847 1.00 0.00 H new ATOM 0 HA SER A 3 16.414 9.272 4.155 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.576 11.140 3.109 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.169 11.734 3.968 1.00 0.00 H new ATOM 0 HG SER A 3 18.333 9.613 5.278 1.00 0.00 H new ATOM 32 N GLY A 4 14.826 10.473 2.623 1.00 0.00 N ATOM 33 CA GLY A 4 13.840 10.922 1.658 1.00 0.00 C ATOM 34 C GLY A 4 12.927 9.803 1.199 1.00 0.00 C ATOM 35 O GLY A 4 13.386 8.805 0.643 1.00 0.00 O ATOM 0 H GLY A 4 14.498 10.443 3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.240 11.718 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.350 11.348 0.794 1.00 0.00 H new ATOM 39 N SER A 5 11.628 9.968 1.431 1.00 0.00 N ATOM 40 CA SER A 5 10.647 8.964 1.037 1.00 0.00 C ATOM 41 C SER A 5 9.228 9.468 1.271 1.00 0.00 C ATOM 42 O SER A 5 8.724 9.436 2.393 1.00 0.00 O ATOM 43 CB SER A 5 10.875 7.666 1.816 1.00 0.00 C ATOM 44 OG SER A 5 10.529 6.536 1.035 1.00 0.00 O ATOM 0 H SER A 5 11.231 10.788 1.890 1.00 0.00 H new ATOM 0 HA SER A 5 10.772 8.768 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.920 7.598 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.280 7.677 2.729 1.00 0.00 H new ATOM 0 HG SER A 5 10.244 5.806 1.624 1.00 0.00 H new ATOM 50 N SER A 6 8.586 9.932 0.203 1.00 0.00 N ATOM 51 CA SER A 6 7.224 10.444 0.292 1.00 0.00 C ATOM 52 C SER A 6 6.239 9.318 0.591 1.00 0.00 C ATOM 53 O SER A 6 6.533 8.145 0.361 1.00 0.00 O ATOM 54 CB SER A 6 6.834 11.145 -1.010 1.00 0.00 C ATOM 55 OG SER A 6 7.300 10.424 -2.138 1.00 0.00 O ATOM 0 H SER A 6 8.988 9.964 -0.734 1.00 0.00 H new ATOM 0 HA SER A 6 7.186 11.164 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.750 11.246 -1.062 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.249 12.153 -1.022 1.00 0.00 H new ATOM 0 HG SER A 6 7.036 10.892 -2.957 1.00 0.00 H new ATOM 61 N GLY A 7 5.069 9.682 1.105 1.00 0.00 N ATOM 62 CA GLY A 7 4.059 8.691 1.426 1.00 0.00 C ATOM 63 C GLY A 7 2.712 9.314 1.737 1.00 0.00 C ATOM 64 O GLY A 7 2.612 10.207 2.579 1.00 0.00 O ATOM 0 H GLY A 7 4.802 10.646 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.952 8.002 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.390 8.104 2.282 1.00 0.00 H new ATOM 68 N ASP A 8 1.673 8.841 1.055 1.00 0.00 N ATOM 69 CA ASP A 8 0.324 9.356 1.261 1.00 0.00 C ATOM 70 C ASP A 8 -0.563 8.302 1.918 1.00 0.00 C ATOM 71 O ASP A 8 -1.731 8.147 1.562 1.00 0.00 O ATOM 72 CB ASP A 8 -0.282 9.800 -0.072 1.00 0.00 C ATOM 73 CG ASP A 8 -0.143 11.292 -0.301 1.00 0.00 C ATOM 74 OD1 ASP A 8 -1.028 12.048 0.153 1.00 0.00 O ATOM 75 OD2 ASP A 8 0.850 11.706 -0.935 1.00 0.00 O ATOM 0 H ASP A 8 1.740 8.102 0.355 1.00 0.00 H new ATOM 0 HA ASP A 8 0.384 10.217 1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.205 9.263 -0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.337 9.528 -0.097 1.00 0.00 H new ATOM 80 N MET A 9 0.001 7.580 2.881 1.00 0.00 N ATOM 81 CA MET A 9 -0.738 6.541 3.589 1.00 0.00 C ATOM 82 C MET A 9 -1.504 7.124 4.773 1.00 0.00 C ATOM 83 O MET A 9 -2.524 6.577 5.195 1.00 0.00 O ATOM 84 CB MET A 9 0.218 5.448 4.072 1.00 0.00 C ATOM 85 CG MET A 9 0.398 4.314 3.076 1.00 0.00 C ATOM 86 SD MET A 9 -0.631 2.883 3.458 1.00 0.00 S ATOM 87 CE MET A 9 -0.366 1.877 2.000 1.00 0.00 C ATOM 0 H MET A 9 0.967 7.695 3.189 1.00 0.00 H new ATOM 0 HA MET A 9 -1.458 6.106 2.896 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.190 5.894 4.282 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.155 5.040 5.011 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.157 4.673 2.075 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.445 4.011 3.062 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.851 0.910 2.132 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.788 2.379 1.130 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.703 1.729 1.850 1.00 0.00 H new ATOM 97 N LYS A 10 -1.007 8.236 5.308 1.00 0.00 N ATOM 98 CA LYS A 10 -1.646 8.890 6.445 1.00 0.00 C ATOM 99 C LYS A 10 -3.098 9.240 6.129 1.00 0.00 C ATOM 100 O LYS A 10 -3.952 9.249 7.016 1.00 0.00 O ATOM 101 CB LYS A 10 -0.875 10.155 6.832 1.00 0.00 C ATOM 102 CG LYS A 10 -0.105 10.023 8.135 1.00 0.00 C ATOM 103 CD LYS A 10 -0.914 10.539 9.314 1.00 0.00 C ATOM 104 CE LYS A 10 -0.762 12.043 9.478 1.00 0.00 C ATOM 105 NZ LYS A 10 0.570 12.410 10.030 1.00 0.00 N ATOM 0 H LYS A 10 -0.164 8.702 4.972 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.635 8.195 7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.178 10.405 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.575 10.986 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.156 8.978 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.831 10.577 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.966 10.292 9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.590 10.038 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.901 12.529 8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.544 12.417 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.548 13.395 10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.802 11.781 10.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.292 12.311 9.288 1.00 0.00 H new ATOM 119 N GLN A 11 -3.371 9.526 4.861 1.00 0.00 N ATOM 120 CA GLN A 11 -4.719 9.875 4.429 1.00 0.00 C ATOM 121 C GLN A 11 -5.618 8.642 4.401 1.00 0.00 C ATOM 122 O GLN A 11 -6.824 8.736 4.631 1.00 0.00 O ATOM 123 CB GLN A 11 -4.683 10.525 3.046 1.00 0.00 C ATOM 124 CG GLN A 11 -3.952 9.697 2.002 1.00 0.00 C ATOM 125 CD GLN A 11 -4.540 9.857 0.614 1.00 0.00 C ATOM 126 OE1 GLN A 11 -5.082 10.909 0.274 1.00 0.00 O ATOM 127 NE2 GLN A 11 -4.438 8.810 -0.197 1.00 0.00 N ATOM 0 H GLN A 11 -2.676 9.523 4.114 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.130 10.586 5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.705 10.699 2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.203 11.500 3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.902 9.988 1.983 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.987 8.646 2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.981 7.957 0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.817 8.859 -1.143 1.00 0.00 H new ATOM 136 N LEU A 12 -5.023 7.488 4.119 1.00 0.00 N ATOM 137 CA LEU A 12 -5.770 6.237 4.061 1.00 0.00 C ATOM 138 C LEU A 12 -6.285 5.846 5.443 1.00 0.00 C ATOM 139 O LEU A 12 -5.551 5.905 6.429 1.00 0.00 O ATOM 140 CB LEU A 12 -4.892 5.119 3.497 1.00 0.00 C ATOM 141 CG LEU A 12 -4.867 5.022 1.971 1.00 0.00 C ATOM 142 CD1 LEU A 12 -4.010 3.848 1.524 1.00 0.00 C ATOM 143 CD2 LEU A 12 -6.280 4.894 1.422 1.00 0.00 C ATOM 0 H LEU A 12 -4.026 7.393 3.927 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.626 6.385 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.872 5.264 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.238 4.167 3.901 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.427 5.937 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.004 3.795 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.991 3.983 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.420 2.923 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.243 4.826 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.747 3.996 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.863 5.768 1.711 1.00 0.00 H new ATOM 155 N ALA A 13 -7.552 5.448 5.507 1.00 0.00 N ATOM 156 CA ALA A 13 -8.165 5.049 6.767 1.00 0.00 C ATOM 157 C ALA A 13 -7.773 3.624 7.141 1.00 0.00 C ATOM 158 O ALA A 13 -7.480 2.802 6.272 1.00 0.00 O ATOM 159 CB ALA A 13 -9.678 5.177 6.682 1.00 0.00 C ATOM 0 H ALA A 13 -8.173 5.394 4.700 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.799 5.716 7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.123 4.876 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.944 6.212 6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.053 4.535 5.885 1.00 0.00 H new ATOM 165 N GLU A 14 -7.771 3.336 8.438 1.00 0.00 N ATOM 166 CA GLU A 14 -7.416 2.010 8.927 1.00 0.00 C ATOM 167 C GLU A 14 -8.352 0.950 8.354 1.00 0.00 C ATOM 168 O GLU A 14 -7.953 -0.194 8.136 1.00 0.00 O ATOM 169 CB GLU A 14 -7.465 1.976 10.456 1.00 0.00 C ATOM 170 CG GLU A 14 -6.548 0.931 11.071 1.00 0.00 C ATOM 171 CD GLU A 14 -7.195 0.198 12.229 1.00 0.00 C ATOM 172 OE1 GLU A 14 -8.436 0.054 12.223 1.00 0.00 O ATOM 173 OE2 GLU A 14 -6.461 -0.233 13.144 1.00 0.00 O ATOM 0 H GLU A 14 -8.012 4.004 9.170 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.401 1.790 8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.193 2.958 10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.489 1.781 10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.259 0.211 10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.634 1.413 11.416 1.00 0.00 H new ATOM 180 N ASP A 15 -9.600 1.339 8.113 1.00 0.00 N ATOM 181 CA ASP A 15 -10.593 0.424 7.564 1.00 0.00 C ATOM 182 C ASP A 15 -10.195 -0.034 6.164 1.00 0.00 C ATOM 183 O ASP A 15 -10.513 -1.151 5.752 1.00 0.00 O ATOM 184 CB ASP A 15 -11.967 1.095 7.522 1.00 0.00 C ATOM 185 CG ASP A 15 -12.770 0.848 8.784 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.647 1.651 9.732 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.521 -0.149 8.824 1.00 0.00 O ATOM 0 H ASP A 15 -9.947 2.282 8.289 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.643 -0.451 8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.840 2.168 7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.524 0.723 6.662 1.00 0.00 H new ATOM 192 N VAL A 16 -9.498 0.833 5.438 1.00 0.00 N ATOM 193 CA VAL A 16 -9.056 0.517 4.085 1.00 0.00 C ATOM 194 C VAL A 16 -8.013 -0.595 4.094 1.00 0.00 C ATOM 195 O VAL A 16 -8.136 -1.581 3.367 1.00 0.00 O ATOM 196 CB VAL A 16 -8.466 1.754 3.383 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.197 1.457 1.916 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.396 2.947 3.532 1.00 0.00 C ATOM 0 H VAL A 16 -9.227 1.761 5.764 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.935 0.182 3.535 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.517 2.002 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.780 2.342 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.488 0.633 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.130 1.182 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.962 3.812 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.362 2.714 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.532 3.173 4.590 1.00 0.00 H new ATOM 208 N LYS A 17 -6.987 -0.430 4.921 1.00 0.00 N ATOM 209 CA LYS A 17 -5.921 -1.420 5.026 1.00 0.00 C ATOM 210 C LYS A 17 -6.426 -2.698 5.688 1.00 0.00 C ATOM 211 O LYS A 17 -5.924 -3.790 5.418 1.00 0.00 O ATOM 212 CB LYS A 17 -4.744 -0.852 5.820 1.00 0.00 C ATOM 213 CG LYS A 17 -4.117 0.378 5.183 1.00 0.00 C ATOM 214 CD LYS A 17 -4.536 1.655 5.897 1.00 0.00 C ATOM 215 CE LYS A 17 -3.337 2.532 6.224 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.736 2.183 7.541 1.00 0.00 N ATOM 0 H LYS A 17 -6.871 0.381 5.529 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.587 -1.663 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.083 -0.598 6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.982 -1.624 5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.031 0.287 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.409 0.434 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.234 2.211 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.064 1.402 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.585 2.425 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.643 3.578 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.922 2.803 7.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.446 2.309 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.420 1.192 7.527 1.00 0.00 H new ATOM 230 N LEU A 18 -7.422 -2.557 6.558 1.00 0.00 N ATOM 231 CA LEU A 18 -7.994 -3.700 7.261 1.00 0.00 C ATOM 232 C LEU A 18 -8.523 -4.738 6.277 1.00 0.00 C ATOM 233 O LEU A 18 -8.400 -5.942 6.503 1.00 0.00 O ATOM 234 CB LEU A 18 -9.119 -3.242 8.192 1.00 0.00 C ATOM 235 CG LEU A 18 -8.668 -2.810 9.587 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.851 -2.295 10.394 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.992 -3.965 10.310 1.00 0.00 C ATOM 0 H LEU A 18 -7.850 -1.661 6.793 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.204 -4.160 7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.643 -2.410 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.839 -4.054 8.295 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.946 -2.001 9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.511 -1.992 11.384 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.294 -1.439 9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.596 -3.085 10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.677 -3.639 11.302 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.693 -4.794 10.406 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.121 -4.290 9.741 1.00 0.00 H new ATOM 249 N GLN A 19 -9.113 -4.265 5.184 1.00 0.00 N ATOM 250 CA GLN A 19 -9.661 -5.153 4.166 1.00 0.00 C ATOM 251 C GLN A 19 -8.546 -5.793 3.346 1.00 0.00 C ATOM 252 O GLN A 19 -8.656 -6.946 2.925 1.00 0.00 O ATOM 253 CB GLN A 19 -10.610 -4.384 3.245 1.00 0.00 C ATOM 254 CG GLN A 19 -11.681 -3.604 3.989 1.00 0.00 C ATOM 255 CD GLN A 19 -12.408 -2.617 3.097 1.00 0.00 C ATOM 256 OE1 GLN A 19 -12.914 -2.978 2.034 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.465 -1.362 3.526 1.00 0.00 N ATOM 0 H GLN A 19 -9.224 -3.272 4.981 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.217 -5.943 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.029 -3.694 2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.091 -5.087 2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.402 -4.301 4.417 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.223 -3.068 4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.032 -1.106 4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.942 -0.654 2.968 1.00 0.00 H new ATOM 266 N LEU A 20 -7.476 -5.040 3.121 1.00 0.00 N ATOM 267 CA LEU A 20 -6.340 -5.534 2.351 1.00 0.00 C ATOM 268 C LEU A 20 -5.728 -6.766 3.012 1.00 0.00 C ATOM 269 O LEU A 20 -5.190 -7.642 2.337 1.00 0.00 O ATOM 270 CB LEU A 20 -5.282 -4.441 2.204 1.00 0.00 C ATOM 271 CG LEU A 20 -5.486 -3.498 1.016 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.773 -2.177 1.254 1.00 0.00 C ATOM 273 CD2 LEU A 20 -4.992 -4.148 -0.268 1.00 0.00 C ATOM 0 H LEU A 20 -7.371 -4.084 3.461 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.700 -5.816 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.263 -3.849 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.304 -4.913 2.110 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.553 -3.298 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.930 -1.520 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.172 -1.705 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.706 -2.358 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.144 -3.465 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.930 -4.377 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.547 -5.069 -0.447 1.00 0.00 H new ATOM 285 N TYR A 21 -5.814 -6.824 4.337 1.00 0.00 N ATOM 286 CA TYR A 21 -5.268 -7.947 5.090 1.00 0.00 C ATOM 287 C TYR A 21 -6.027 -9.233 4.778 1.00 0.00 C ATOM 288 O TYR A 21 -5.425 -10.280 4.542 1.00 0.00 O ATOM 289 CB TYR A 21 -5.327 -7.658 6.591 1.00 0.00 C ATOM 290 CG TYR A 21 -4.565 -6.418 7.000 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.311 -6.143 6.469 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.100 -5.522 7.917 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.612 -5.010 6.840 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.406 -4.387 8.293 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.163 -4.136 7.752 1.00 0.00 C ATOM 296 OH TYR A 21 -2.470 -3.007 8.124 1.00 0.00 O ATOM 0 H TYR A 21 -6.257 -6.107 4.911 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.228 -8.080 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.369 -7.549 6.891 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.928 -8.515 7.133 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.875 -6.826 5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.073 -5.715 8.343 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.638 -4.810 6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.836 -3.700 9.007 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.999 -2.498 8.773 1.00 0.00 H new ATOM 306 N LYS A 22 -7.354 -9.146 4.779 1.00 0.00 N ATOM 307 CA LYS A 22 -8.197 -10.302 4.497 1.00 0.00 C ATOM 308 C LYS A 22 -8.000 -10.783 3.062 1.00 0.00 C ATOM 309 O LYS A 22 -8.013 -11.984 2.792 1.00 0.00 O ATOM 310 CB LYS A 22 -9.668 -9.957 4.734 1.00 0.00 C ATOM 311 CG LYS A 22 -10.133 -10.222 6.157 1.00 0.00 C ATOM 312 CD LYS A 22 -11.533 -9.680 6.394 1.00 0.00 C ATOM 313 CE LYS A 22 -12.597 -10.690 5.996 1.00 0.00 C ATOM 314 NZ LYS A 22 -12.967 -11.582 7.130 1.00 0.00 N ATOM 0 H LYS A 22 -7.868 -8.287 4.972 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.906 -11.106 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.829 -8.905 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.284 -10.536 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.119 -11.294 6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.439 -9.761 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.651 -9.422 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.670 -8.762 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.484 -10.163 5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.233 -11.293 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.695 -12.256 6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.126 -12.104 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.339 -11.010 7.915 1.00 0.00 H new ATOM 328 N LEU A 23 -7.820 -9.837 2.147 1.00 0.00 N ATOM 329 CA LEU A 23 -7.623 -10.165 0.739 1.00 0.00 C ATOM 330 C LEU A 23 -6.323 -10.937 0.535 1.00 0.00 C ATOM 331 O LEU A 23 -6.328 -12.056 0.023 1.00 0.00 O ATOM 332 CB LEU A 23 -7.610 -8.889 -0.105 1.00 0.00 C ATOM 333 CG LEU A 23 -8.941 -8.136 -0.159 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.747 -6.752 -0.758 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.967 -8.926 -0.958 1.00 0.00 C ATOM 0 H LEU A 23 -7.806 -8.838 2.354 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.452 -10.797 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.846 -8.219 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.314 -9.147 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.313 -8.020 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.704 -6.231 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.045 -6.186 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.353 -6.845 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.908 -8.376 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.602 -9.073 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.127 -9.895 -0.486 1.00 0.00 H new ATOM 347 N LEU A 24 -5.211 -10.331 0.939 1.00 0.00 N ATOM 348 CA LEU A 24 -3.903 -10.961 0.800 1.00 0.00 C ATOM 349 C LEU A 24 -3.853 -12.290 1.549 1.00 0.00 C ATOM 350 O LEU A 24 -3.096 -13.190 1.186 1.00 0.00 O ATOM 351 CB LEU A 24 -2.807 -10.028 1.320 1.00 0.00 C ATOM 352 CG LEU A 24 -2.805 -8.627 0.705 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.137 -7.634 1.644 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.104 -8.641 -0.645 1.00 0.00 C ATOM 0 H LEU A 24 -5.190 -9.405 1.365 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.734 -11.156 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.913 -9.934 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.838 -10.491 1.134 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.838 -8.314 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.144 -6.643 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.680 -7.605 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.107 -7.942 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.111 -7.637 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.074 -8.973 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.624 -9.323 -1.318 1.00 0.00 H new ATOM 366 N GLU A 25 -4.664 -12.406 2.597 1.00 0.00 N ATOM 367 CA GLU A 25 -4.712 -13.625 3.397 1.00 0.00 C ATOM 368 C GLU A 25 -5.061 -14.837 2.537 1.00 0.00 C ATOM 369 O GLU A 25 -4.712 -15.969 2.871 1.00 0.00 O ATOM 370 CB GLU A 25 -5.731 -13.475 4.528 1.00 0.00 C ATOM 371 CG GLU A 25 -5.203 -13.915 5.884 1.00 0.00 C ATOM 372 CD GLU A 25 -6.025 -15.033 6.497 1.00 0.00 C ATOM 373 OE1 GLU A 25 -7.224 -14.808 6.769 1.00 0.00 O ATOM 374 OE2 GLU A 25 -5.471 -16.133 6.704 1.00 0.00 O ATOM 0 H GLU A 25 -5.297 -11.670 2.912 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.722 -13.785 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.042 -12.432 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.619 -14.059 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.170 -14.246 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.196 -13.061 6.561 1.00 0.00 H new ATOM 381 N ILE A 26 -5.755 -14.594 1.429 1.00 0.00 N ATOM 382 CA ILE A 26 -6.150 -15.669 0.524 1.00 0.00 C ATOM 383 C ILE A 26 -4.924 -16.399 -0.026 1.00 0.00 C ATOM 384 O ILE A 26 -4.057 -15.788 -0.649 1.00 0.00 O ATOM 385 CB ILE A 26 -6.989 -15.132 -0.654 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.191 -14.341 -0.134 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.451 -16.276 -1.545 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.716 -13.322 -1.122 1.00 0.00 C ATOM 0 H ILE A 26 -6.055 -13.664 1.136 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.757 -16.366 1.102 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.364 -14.464 -1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.992 -15.036 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.909 -13.831 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.041 -15.879 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.583 -16.803 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.060 -16.967 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.567 -12.799 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.930 -12.604 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.029 -13.828 -2.035 1.00 0.00 H new ATOM 400 N PRO A 27 -4.833 -17.725 0.197 1.00 0.00 N ATOM 401 CA PRO A 27 -3.704 -18.528 -0.282 1.00 0.00 C ATOM 402 C PRO A 27 -3.776 -18.792 -1.784 1.00 0.00 C ATOM 403 O PRO A 27 -3.840 -19.941 -2.221 1.00 0.00 O ATOM 404 CB PRO A 27 -3.850 -19.833 0.499 1.00 0.00 C ATOM 405 CG PRO A 27 -5.311 -19.951 0.760 1.00 0.00 C ATOM 406 CD PRO A 27 -5.819 -18.544 0.932 1.00 0.00 C ATOM 0 HA PRO A 27 -2.748 -18.026 -0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.480 -20.682 -0.075 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.282 -19.805 1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.816 -20.449 -0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.501 -20.546 1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.822 -18.427 0.522 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.870 -18.262 1.984 1.00 0.00 H new ATOM 414 N ASP A 28 -3.764 -17.720 -2.570 1.00 0.00 N ATOM 415 CA ASP A 28 -3.827 -17.836 -4.021 1.00 0.00 C ATOM 416 C ASP A 28 -2.486 -17.473 -4.655 1.00 0.00 C ATOM 417 O ASP A 28 -1.632 -16.863 -4.011 1.00 0.00 O ATOM 418 CB ASP A 28 -4.931 -16.935 -4.579 1.00 0.00 C ATOM 419 CG ASP A 28 -6.244 -17.673 -4.759 1.00 0.00 C ATOM 420 OD1 ASP A 28 -6.495 -18.630 -3.998 1.00 0.00 O ATOM 421 OD2 ASP A 28 -7.019 -17.293 -5.660 1.00 0.00 O ATOM 0 H ASP A 28 -3.711 -16.761 -2.225 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.056 -18.873 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.081 -16.090 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.613 -16.526 -5.538 1.00 0.00 H new ATOM 426 N PRO A 29 -2.284 -17.841 -5.931 1.00 0.00 N ATOM 427 CA PRO A 29 -1.039 -17.550 -6.649 1.00 0.00 C ATOM 428 C PRO A 29 -0.873 -16.062 -6.939 1.00 0.00 C ATOM 429 O PRO A 29 0.203 -15.497 -6.742 1.00 0.00 O ATOM 430 CB PRO A 29 -1.187 -18.336 -7.954 1.00 0.00 C ATOM 431 CG PRO A 29 -2.657 -18.471 -8.150 1.00 0.00 C ATOM 432 CD PRO A 29 -3.251 -18.570 -6.774 1.00 0.00 C ATOM 0 HA PRO A 29 -0.160 -17.827 -6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.723 -17.809 -8.788 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.705 -19.311 -7.885 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.059 -17.612 -8.688 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.892 -19.356 -8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.242 -18.119 -6.731 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.359 -19.607 -6.457 1.00 0.00 H new ATOM 440 N ASP A 30 -1.945 -15.432 -7.407 1.00 0.00 N ATOM 441 CA ASP A 30 -1.919 -14.008 -7.724 1.00 0.00 C ATOM 442 C ASP A 30 -2.828 -13.226 -6.783 1.00 0.00 C ATOM 443 O ASP A 30 -3.444 -12.237 -7.179 1.00 0.00 O ATOM 444 CB ASP A 30 -2.348 -13.779 -9.174 1.00 0.00 C ATOM 445 CG ASP A 30 -1.191 -13.904 -10.145 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.751 -15.045 -10.401 1.00 0.00 O ATOM 447 OD2 ASP A 30 -0.724 -12.862 -10.650 1.00 0.00 O ATOM 0 H ASP A 30 -2.843 -15.885 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.897 -13.650 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.121 -14.500 -9.440 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.791 -12.788 -9.267 1.00 0.00 H new ATOM 452 N LYS A 31 -2.906 -13.674 -5.533 1.00 0.00 N ATOM 453 CA LYS A 31 -3.739 -13.015 -4.536 1.00 0.00 C ATOM 454 C LYS A 31 -3.215 -13.279 -3.127 1.00 0.00 C ATOM 455 O LYS A 31 -3.983 -13.329 -2.167 1.00 0.00 O ATOM 456 CB LYS A 31 -5.187 -13.496 -4.652 1.00 0.00 C ATOM 457 CG LYS A 31 -6.051 -12.615 -5.541 1.00 0.00 C ATOM 458 CD LYS A 31 -7.505 -13.058 -5.519 1.00 0.00 C ATOM 459 CE LYS A 31 -8.348 -12.249 -6.492 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.740 -12.771 -6.588 1.00 0.00 N ATOM 0 H LYS A 31 -2.402 -14.491 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.703 -11.942 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.193 -14.512 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.628 -13.537 -3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.980 -11.579 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.675 -12.648 -6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.568 -14.116 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.905 -12.948 -4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.372 -11.207 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.884 -12.269 -7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.282 -12.192 -7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.719 -13.757 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.192 -12.728 -5.652 1.00 0.00 H new ATOM 474 N ASN A 32 -1.900 -13.446 -3.013 1.00 0.00 N ATOM 475 CA ASN A 32 -1.273 -13.704 -1.721 1.00 0.00 C ATOM 476 C ASN A 32 -0.403 -12.526 -1.294 1.00 0.00 C ATOM 477 O ASN A 32 0.081 -11.763 -2.129 1.00 0.00 O ATOM 478 CB ASN A 32 -0.429 -14.978 -1.787 1.00 0.00 C ATOM 479 CG ASN A 32 0.156 -15.354 -0.440 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.362 -15.565 -0.311 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.698 -15.439 0.573 1.00 0.00 N ATOM 0 H ASN A 32 -1.250 -13.407 -3.798 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.063 -13.836 -0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.044 -15.799 -2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.379 -14.838 -2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.362 -15.688 1.504 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.690 -15.256 0.421 1.00 0.00 H new ATOM 488 N TRP A 33 -0.211 -12.384 0.013 1.00 0.00 N ATOM 489 CA TRP A 33 0.600 -11.298 0.552 1.00 0.00 C ATOM 490 C TRP A 33 2.037 -11.391 0.049 1.00 0.00 C ATOM 491 O TRP A 33 2.691 -10.376 -0.184 1.00 0.00 O ATOM 492 CB TRP A 33 0.580 -11.328 2.082 1.00 0.00 C ATOM 493 CG TRP A 33 0.981 -12.654 2.654 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.153 -13.686 2.991 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.311 -13.090 2.959 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.886 -14.736 3.487 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.213 -14.395 3.477 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.575 -12.504 2.844 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.331 -15.123 3.879 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.684 -13.227 3.243 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.556 -14.525 3.754 1.00 0.00 C ATOM 0 H TRP A 33 -0.605 -13.007 0.718 1.00 0.00 H new ATOM 0 HA TRP A 33 0.174 -10.355 0.209 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.251 -10.558 2.462 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.422 -11.078 2.430 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -0.922 -13.678 2.883 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.505 -15.625 3.810 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.683 -11.504 2.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.235 -16.123 4.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.665 -12.784 3.159 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.442 -15.065 4.055 1.00 0.00 H new ATOM 512 N ALA A 34 2.522 -12.618 -0.116 1.00 0.00 N ATOM 513 CA ALA A 34 3.881 -12.844 -0.592 1.00 0.00 C ATOM 514 C ALA A 34 4.093 -12.223 -1.968 1.00 0.00 C ATOM 515 O ALA A 34 5.159 -11.682 -2.257 1.00 0.00 O ATOM 516 CB ALA A 34 4.184 -14.335 -0.630 1.00 0.00 C ATOM 0 H ALA A 34 1.994 -13.470 0.073 1.00 0.00 H new ATOM 0 HA ALA A 34 4.568 -12.361 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.202 -14.490 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.083 -14.752 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.484 -14.832 -1.302 1.00 0.00 H new ATOM 522 N THR A 35 3.069 -12.304 -2.812 1.00 0.00 N ATOM 523 CA THR A 35 3.143 -11.749 -4.158 1.00 0.00 C ATOM 524 C THR A 35 3.202 -10.225 -4.115 1.00 0.00 C ATOM 525 O THR A 35 3.884 -9.598 -4.924 1.00 0.00 O ATOM 526 CB THR A 35 1.940 -12.201 -4.986 1.00 0.00 C ATOM 527 OG1 THR A 35 1.430 -13.429 -4.500 1.00 0.00 O ATOM 528 CG2 THR A 35 2.257 -12.384 -6.454 1.00 0.00 C ATOM 0 H THR A 35 2.179 -12.748 -2.587 1.00 0.00 H new ATOM 0 HA THR A 35 4.056 -12.117 -4.626 1.00 0.00 H new ATOM 0 HB THR A 35 1.206 -11.402 -4.887 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.091 -13.962 -5.249 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.360 -12.705 -6.983 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.606 -11.439 -6.871 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.035 -13.139 -6.567 1.00 0.00 H new ATOM 536 N LEU A 36 2.481 -9.637 -3.166 1.00 0.00 N ATOM 537 CA LEU A 36 2.452 -8.187 -3.017 1.00 0.00 C ATOM 538 C LEU A 36 3.794 -7.662 -2.520 1.00 0.00 C ATOM 539 O LEU A 36 4.231 -6.578 -2.906 1.00 0.00 O ATOM 540 CB LEU A 36 1.341 -7.773 -2.050 1.00 0.00 C ATOM 541 CG LEU A 36 1.226 -6.269 -1.801 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.757 -5.554 -3.059 1.00 0.00 C ATOM 543 CD2 LEU A 36 0.279 -5.992 -0.643 1.00 0.00 C ATOM 0 H LEU A 36 1.909 -10.142 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 36 2.253 -7.753 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.389 -8.135 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.507 -8.272 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 36 2.212 -5.887 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.681 -4.485 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.473 -5.725 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.219 -5.939 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.209 -4.917 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.709 -6.388 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.657 -6.472 0.259 1.00 0.00 H new ATOM 555 N ALA A 37 4.446 -8.439 -1.660 1.00 0.00 N ATOM 556 CA ALA A 37 5.740 -8.052 -1.110 1.00 0.00 C ATOM 557 C ALA A 37 6.774 -7.872 -2.216 1.00 0.00 C ATOM 558 O ALA A 37 7.662 -7.024 -2.117 1.00 0.00 O ATOM 559 CB ALA A 37 6.216 -9.087 -0.104 1.00 0.00 C ATOM 0 H ALA A 37 4.099 -9.340 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 37 5.620 -7.096 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.183 -8.785 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.493 -9.164 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.314 -10.055 -0.596 1.00 0.00 H new ATOM 565 N GLN A 38 6.654 -8.674 -3.269 1.00 0.00 N ATOM 566 CA GLN A 38 7.579 -8.602 -4.394 1.00 0.00 C ATOM 567 C GLN A 38 7.244 -7.422 -5.300 1.00 0.00 C ATOM 568 O GLN A 38 8.137 -6.744 -5.808 1.00 0.00 O ATOM 569 CB GLN A 38 7.538 -9.904 -5.196 1.00 0.00 C ATOM 570 CG GLN A 38 8.370 -11.020 -4.586 1.00 0.00 C ATOM 571 CD GLN A 38 9.714 -11.186 -5.266 1.00 0.00 C ATOM 572 OE1 GLN A 38 10.066 -12.276 -5.716 1.00 0.00 O ATOM 573 NE2 GLN A 38 10.475 -10.099 -5.346 1.00 0.00 N ATOM 0 H GLN A 38 5.925 -9.381 -3.367 1.00 0.00 H new ATOM 0 HA GLN A 38 8.584 -8.457 -3.998 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.504 -10.237 -5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.893 -9.709 -6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.526 -10.814 -3.527 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.817 -11.957 -4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.144 -9.215 -4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.390 -10.149 -5.794 1.00 0.00 H new ATOM 582 N LYS A 39 5.951 -7.182 -5.497 1.00 0.00 N ATOM 583 CA LYS A 39 5.498 -6.083 -6.342 1.00 0.00 C ATOM 584 C LYS A 39 5.823 -4.736 -5.703 1.00 0.00 C ATOM 585 O LYS A 39 6.338 -3.834 -6.362 1.00 0.00 O ATOM 586 CB LYS A 39 3.993 -6.193 -6.596 1.00 0.00 C ATOM 587 CG LYS A 39 3.646 -6.887 -7.901 1.00 0.00 C ATOM 588 CD LYS A 39 3.743 -8.399 -7.772 1.00 0.00 C ATOM 589 CE LYS A 39 3.694 -9.079 -9.131 1.00 0.00 C ATOM 590 NZ LYS A 39 2.999 -10.394 -9.070 1.00 0.00 N ATOM 0 H LYS A 39 5.199 -7.734 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 39 6.024 -6.149 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.533 -6.737 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.560 -5.193 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.636 -6.611 -8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.319 -6.544 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.671 -8.663 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.925 -8.765 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.183 -8.431 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.709 -9.222 -9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.526 -10.579 -9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.693 -11.145 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.292 -10.378 -8.308 1.00 0.00 H new ATOM 604 N LEU A 40 5.516 -4.609 -4.416 1.00 0.00 N ATOM 605 CA LEU A 40 5.776 -3.372 -3.687 1.00 0.00 C ATOM 606 C LEU A 40 7.273 -3.095 -3.603 1.00 0.00 C ATOM 607 O LEU A 40 7.773 -2.143 -4.203 1.00 0.00 O ATOM 608 CB LEU A 40 5.179 -3.450 -2.281 1.00 0.00 C ATOM 609 CG LEU A 40 3.651 -3.432 -2.225 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.167 -3.619 -0.794 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.112 -2.134 -2.806 1.00 0.00 C ATOM 0 H LEU A 40 5.087 -5.346 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 40 5.304 -2.553 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.534 -4.362 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.559 -2.613 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 40 3.274 -4.260 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.077 -3.603 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.524 -4.575 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.553 -2.812 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.023 -2.138 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.497 -1.291 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.429 -2.041 -3.845 1.00 0.00 H new ATOM 623 N GLY A 41 7.983 -3.931 -2.852 1.00 0.00 N ATOM 624 CA GLY A 41 9.417 -3.758 -2.703 1.00 0.00 C ATOM 625 C GLY A 41 9.929 -4.282 -1.377 1.00 0.00 C ATOM 626 O GLY A 41 10.728 -3.625 -0.709 1.00 0.00 O ATOM 0 H GLY A 41 7.592 -4.724 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.928 -4.274 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.663 -2.700 -2.792 1.00 0.00 H new ATOM 630 N LEU A 42 9.468 -5.467 -0.993 1.00 0.00 N ATOM 631 CA LEU A 42 9.884 -6.080 0.263 1.00 0.00 C ATOM 632 C LEU A 42 9.888 -7.601 0.152 1.00 0.00 C ATOM 633 O LEU A 42 9.631 -8.306 1.129 1.00 0.00 O ATOM 634 CB LEU A 42 8.958 -5.642 1.399 1.00 0.00 C ATOM 635 CG LEU A 42 9.005 -4.149 1.733 1.00 0.00 C ATOM 636 CD1 LEU A 42 7.892 -3.785 2.705 1.00 0.00 C ATOM 637 CD2 LEU A 42 10.362 -3.775 2.308 1.00 0.00 C ATOM 0 H LEU A 42 8.805 -6.023 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 42 10.899 -5.748 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.934 -5.908 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.214 -6.208 2.295 1.00 0.00 H new ATOM 0 HG LEU A 42 8.855 -3.584 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.941 -2.720 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.926 -4.017 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.011 -4.357 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.378 -2.710 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.542 -4.347 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.140 -3.999 1.579 1.00 0.00 H new ATOM 649 N GLY A 43 10.180 -8.101 -1.044 1.00 0.00 N ATOM 650 CA GLY A 43 10.211 -9.535 -1.262 1.00 0.00 C ATOM 651 C GLY A 43 11.376 -10.208 -0.558 1.00 0.00 C ATOM 652 O GLY A 43 11.349 -11.415 -0.318 1.00 0.00 O ATOM 0 H GLY A 43 10.396 -7.538 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.277 -9.972 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.273 -9.735 -2.332 1.00 0.00 H new ATOM 656 N ILE A 44 12.401 -9.428 -0.230 1.00 0.00 N ATOM 657 CA ILE A 44 13.578 -9.960 0.446 1.00 0.00 C ATOM 658 C ILE A 44 13.229 -10.475 1.841 1.00 0.00 C ATOM 659 O ILE A 44 13.871 -11.393 2.352 1.00 0.00 O ATOM 660 CB ILE A 44 14.690 -8.896 0.559 1.00 0.00 C ATOM 661 CG1 ILE A 44 15.960 -9.508 1.158 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.215 -7.713 1.394 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.106 -9.602 0.175 1.00 0.00 C ATOM 0 H ILE A 44 12.440 -8.427 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 44 13.943 -10.790 -0.159 1.00 0.00 H new ATOM 0 HB ILE A 44 14.925 -8.534 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.274 -8.910 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.731 -10.505 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.012 -6.973 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.341 -7.263 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.951 -8.056 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.972 -10.044 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.811 -10.225 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.362 -8.604 -0.182 1.00 0.00 H new ATOM 675 N LEU A 45 12.211 -9.878 2.451 1.00 0.00 N ATOM 676 CA LEU A 45 11.779 -10.279 3.787 1.00 0.00 C ATOM 677 C LEU A 45 10.442 -11.011 3.734 1.00 0.00 C ATOM 678 O LEU A 45 9.619 -10.884 4.639 1.00 0.00 O ATOM 679 CB LEU A 45 11.667 -9.056 4.699 1.00 0.00 C ATOM 680 CG LEU A 45 12.864 -8.103 4.654 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.408 -6.659 4.816 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.876 -8.471 5.730 1.00 0.00 C ATOM 0 H LEU A 45 11.670 -9.116 2.043 1.00 0.00 H new ATOM 0 HA LEU A 45 12.528 -10.960 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.769 -8.500 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.533 -9.398 5.725 1.00 0.00 H new ATOM 0 HG LEU A 45 13.345 -8.200 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.274 -5.998 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.722 -6.401 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.901 -6.543 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.721 -7.784 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.405 -8.403 6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.227 -9.490 5.566 1.00 0.00 H new ATOM 694 N ASN A 46 10.233 -11.778 2.669 1.00 0.00 N ATOM 695 CA ASN A 46 8.995 -12.531 2.500 1.00 0.00 C ATOM 696 C ASN A 46 8.894 -13.648 3.535 1.00 0.00 C ATOM 697 O ASN A 46 7.800 -14.010 3.968 1.00 0.00 O ATOM 698 CB ASN A 46 8.917 -13.115 1.087 1.00 0.00 C ATOM 699 CG ASN A 46 7.575 -12.858 0.431 1.00 0.00 C ATOM 700 OD1 ASN A 46 6.564 -12.670 1.107 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.558 -12.849 -0.898 1.00 0.00 N ATOM 0 H ASN A 46 10.905 -11.895 1.910 1.00 0.00 H new ATOM 0 HA ASN A 46 8.158 -11.848 2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.707 -12.683 0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.098 -14.189 1.130 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.684 -12.682 -1.396 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.419 -13.009 -1.420 1.00 0.00 H new ATOM 708 N ASN A 47 10.042 -14.190 3.926 1.00 0.00 N ATOM 709 CA ASN A 47 10.084 -15.267 4.909 1.00 0.00 C ATOM 710 C ASN A 47 9.857 -14.727 6.317 1.00 0.00 C ATOM 711 O ASN A 47 9.303 -15.414 7.175 1.00 0.00 O ATOM 712 CB ASN A 47 11.426 -15.998 4.839 1.00 0.00 C ATOM 713 CG ASN A 47 11.266 -17.505 4.850 1.00 0.00 C ATOM 714 OD1 ASN A 47 10.193 -18.029 4.546 1.00 0.00 O ATOM 715 ND2 ASN A 47 12.333 -18.212 5.204 1.00 0.00 N ATOM 0 H ASN A 47 10.956 -13.901 3.577 1.00 0.00 H new ATOM 0 HA ASN A 47 9.284 -15.970 4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.953 -15.698 3.933 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.046 -15.695 5.683 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.284 -19.230 5.232 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.202 -17.737 5.448 1.00 0.00 H new ATOM 722 N ALA A 48 10.289 -13.491 6.548 1.00 0.00 N ATOM 723 CA ALA A 48 10.133 -12.859 7.852 1.00 0.00 C ATOM 724 C ALA A 48 8.661 -12.643 8.187 1.00 0.00 C ATOM 725 O ALA A 48 8.267 -12.679 9.352 1.00 0.00 O ATOM 726 CB ALA A 48 10.883 -11.535 7.888 1.00 0.00 C ATOM 0 H ALA A 48 10.749 -12.908 5.849 1.00 0.00 H new ATOM 0 HA ALA A 48 10.555 -13.526 8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.759 -11.073 8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.942 -11.712 7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.486 -10.871 7.120 1.00 0.00 H new ATOM 732 N PHE A 49 7.852 -12.419 7.157 1.00 0.00 N ATOM 733 CA PHE A 49 6.422 -12.196 7.342 1.00 0.00 C ATOM 734 C PHE A 49 5.683 -13.520 7.509 1.00 0.00 C ATOM 735 O PHE A 49 4.712 -13.610 8.259 1.00 0.00 O ATOM 736 CB PHE A 49 5.847 -11.423 6.156 1.00 0.00 C ATOM 737 CG PHE A 49 6.590 -10.154 5.848 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.819 -9.213 6.838 1.00 0.00 C ATOM 739 CD2 PHE A 49 7.060 -9.904 4.569 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.503 -8.044 6.558 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.744 -8.739 4.282 1.00 0.00 C ATOM 742 CZ PHE A 49 7.967 -7.808 5.278 1.00 0.00 C ATOM 0 H PHE A 49 8.162 -12.387 6.186 1.00 0.00 H new ATOM 0 HA PHE A 49 6.286 -11.607 8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.859 -12.064 5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.804 -11.183 6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.459 -9.394 7.840 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.889 -10.629 3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.674 -7.317 7.338 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.104 -8.556 3.280 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.503 -6.897 5.057 1.00 0.00 H new ATOM 752 N ARG A 50 6.150 -14.546 6.803 1.00 0.00 N ATOM 753 CA ARG A 50 5.532 -15.866 6.874 1.00 0.00 C ATOM 754 C ARG A 50 5.567 -16.407 8.299 1.00 0.00 C ATOM 755 O ARG A 50 4.668 -17.137 8.719 1.00 0.00 O ATOM 756 CB ARG A 50 6.244 -16.836 5.930 1.00 0.00 C ATOM 757 CG ARG A 50 5.315 -17.856 5.291 1.00 0.00 C ATOM 758 CD ARG A 50 6.058 -19.125 4.904 1.00 0.00 C ATOM 759 NE ARG A 50 5.341 -20.328 5.319 1.00 0.00 N ATOM 760 CZ ARG A 50 5.223 -20.721 6.585 1.00 0.00 C ATOM 761 NH1 ARG A 50 5.773 -20.010 7.562 1.00 0.00 N ATOM 762 NH2 ARG A 50 4.553 -21.827 6.876 1.00 0.00 N ATOM 0 H ARG A 50 6.953 -14.489 6.176 1.00 0.00 H new ATOM 0 HA ARG A 50 4.491 -15.770 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.740 -16.267 5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.022 -17.362 6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.511 -18.102 5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.850 -17.421 4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.204 -19.144 3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.048 -19.118 5.359 1.00 0.00 H new ATOM 0 HE ARG A 50 4.905 -20.900 4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.289 -19.158 7.344 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.679 -20.316 8.530 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.128 -22.377 6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.463 -22.128 7.846 1.00 0.00 H new ATOM 776 N LEU A 51 6.610 -16.046 9.038 1.00 0.00 N ATOM 777 CA LEU A 51 6.761 -16.495 10.418 1.00 0.00 C ATOM 778 C LEU A 51 5.804 -15.749 11.341 1.00 0.00 C ATOM 779 O LEU A 51 5.330 -16.298 12.335 1.00 0.00 O ATOM 780 CB LEU A 51 8.203 -16.292 10.887 1.00 0.00 C ATOM 781 CG LEU A 51 9.193 -17.356 10.410 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.619 -16.834 10.497 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.039 -18.631 11.226 1.00 0.00 C ATOM 0 H LEU A 51 7.363 -15.444 8.705 1.00 0.00 H new ATOM 0 HA LEU A 51 6.520 -17.557 10.457 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.547 -15.317 10.543 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.215 -16.268 11.977 1.00 0.00 H new ATOM 0 HG LEU A 51 8.975 -17.587 9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.310 -17.604 10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.721 -15.949 9.869 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.849 -16.575 11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.751 -19.377 10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.230 -18.416 12.277 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.025 -19.015 11.113 1.00 0.00 H new ATOM 795 N SER A 52 5.525 -14.493 11.006 1.00 0.00 N ATOM 796 CA SER A 52 4.625 -13.671 11.806 1.00 0.00 C ATOM 797 C SER A 52 3.203 -14.227 11.769 1.00 0.00 C ATOM 798 O SER A 52 2.845 -14.979 10.863 1.00 0.00 O ATOM 799 CB SER A 52 4.633 -12.227 11.299 1.00 0.00 C ATOM 800 OG SER A 52 5.743 -11.512 11.812 1.00 0.00 O ATOM 0 H SER A 52 5.909 -14.023 10.186 1.00 0.00 H new ATOM 0 HA SER A 52 4.977 -13.689 12.837 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.665 -12.221 10.209 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.709 -11.730 11.594 1.00 0.00 H new ATOM 0 HG SER A 52 5.570 -10.550 11.749 1.00 0.00 H new ATOM 806 N PRO A 53 2.370 -13.860 12.759 1.00 0.00 N ATOM 807 CA PRO A 53 0.982 -14.325 12.835 1.00 0.00 C ATOM 808 C PRO A 53 0.127 -13.782 11.694 1.00 0.00 C ATOM 809 O PRO A 53 -0.855 -14.405 11.290 1.00 0.00 O ATOM 810 CB PRO A 53 0.490 -13.776 14.178 1.00 0.00 C ATOM 811 CG PRO A 53 1.378 -12.615 14.465 1.00 0.00 C ATOM 812 CD PRO A 53 2.716 -12.963 13.877 1.00 0.00 C ATOM 0 HA PRO A 53 0.913 -15.410 12.754 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.555 -13.470 14.121 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.559 -14.530 14.962 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.982 -11.702 14.021 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.457 -12.440 15.538 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.247 -12.076 13.532 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.360 -13.457 14.605 1.00 0.00 H new ATOM 820 N ALA A 54 0.509 -12.618 11.177 1.00 0.00 N ATOM 821 CA ALA A 54 -0.221 -11.994 10.080 1.00 0.00 C ATOM 822 C ALA A 54 0.735 -11.346 9.082 1.00 0.00 C ATOM 823 O ALA A 54 1.038 -10.158 9.181 1.00 0.00 O ATOM 824 CB ALA A 54 -1.200 -10.961 10.621 1.00 0.00 C ATOM 0 H ALA A 54 1.319 -12.089 11.500 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.778 -12.771 9.557 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.739 -10.502 9.792 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.909 -11.448 11.290 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.653 -10.193 11.168 1.00 0.00 H new ATOM 830 N PRO A 55 1.226 -12.126 8.102 1.00 0.00 N ATOM 831 CA PRO A 55 2.153 -11.623 7.083 1.00 0.00 C ATOM 832 C PRO A 55 1.634 -10.362 6.399 1.00 0.00 C ATOM 833 O PRO A 55 2.386 -9.414 6.170 1.00 0.00 O ATOM 834 CB PRO A 55 2.241 -12.776 6.081 1.00 0.00 C ATOM 835 CG PRO A 55 1.914 -13.993 6.874 1.00 0.00 C ATOM 836 CD PRO A 55 0.915 -13.555 7.911 1.00 0.00 C ATOM 0 HA PRO A 55 3.114 -11.339 7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.539 -12.640 5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.237 -12.845 5.643 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.499 -14.774 6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.808 -14.405 7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.110 -13.701 7.569 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.025 -14.118 8.838 1.00 0.00 H new ATOM 844 N SER A 56 0.345 -10.357 6.076 1.00 0.00 N ATOM 845 CA SER A 56 -0.274 -9.212 5.419 1.00 0.00 C ATOM 846 C SER A 56 -0.212 -7.976 6.309 1.00 0.00 C ATOM 847 O SER A 56 -0.042 -6.856 5.824 1.00 0.00 O ATOM 848 CB SER A 56 -1.728 -9.525 5.064 1.00 0.00 C ATOM 849 OG SER A 56 -2.319 -10.374 6.032 1.00 0.00 O ATOM 0 H SER A 56 -0.291 -11.133 6.259 1.00 0.00 H new ATOM 0 HA SER A 56 0.280 -9.007 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.296 -8.597 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.772 -10.000 4.084 1.00 0.00 H new ATOM 0 HG SER A 56 -3.249 -10.557 5.782 1.00 0.00 H new ATOM 855 N LYS A 57 -0.348 -8.185 7.615 1.00 0.00 N ATOM 856 CA LYS A 57 -0.307 -7.087 8.573 1.00 0.00 C ATOM 857 C LYS A 57 1.124 -6.605 8.786 1.00 0.00 C ATOM 858 O LYS A 57 1.373 -5.406 8.916 1.00 0.00 O ATOM 859 CB LYS A 57 -0.914 -7.523 9.908 1.00 0.00 C ATOM 860 CG LYS A 57 -1.683 -6.420 10.616 1.00 0.00 C ATOM 861 CD LYS A 57 -1.932 -6.762 12.076 1.00 0.00 C ATOM 862 CE LYS A 57 -0.934 -6.069 12.989 1.00 0.00 C ATOM 863 NZ LYS A 57 0.218 -6.952 13.324 1.00 0.00 N ATOM 0 H LYS A 57 -0.487 -9.105 8.033 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.893 -6.262 8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.582 -8.367 9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.117 -7.876 10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.125 -5.486 10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.636 -6.258 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.945 -6.468 12.352 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.865 -7.841 12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.568 -5.163 12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.435 -5.761 13.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.876 -6.443 13.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.128 -7.805 13.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.711 -7.225 12.450 1.00 0.00 H new ATOM 877 N THR A 58 2.061 -7.546 8.822 1.00 0.00 N ATOM 878 CA THR A 58 3.469 -7.218 9.020 1.00 0.00 C ATOM 879 C THR A 58 4.014 -6.426 7.836 1.00 0.00 C ATOM 880 O THR A 58 4.839 -5.528 8.004 1.00 0.00 O ATOM 881 CB THR A 58 4.289 -8.493 9.216 1.00 0.00 C ATOM 882 OG1 THR A 58 3.565 -9.442 9.981 1.00 0.00 O ATOM 883 CG2 THR A 58 5.610 -8.253 9.914 1.00 0.00 C ATOM 0 H THR A 58 1.871 -8.543 8.717 1.00 0.00 H new ATOM 0 HA THR A 58 3.550 -6.602 9.915 1.00 0.00 H new ATOM 0 HB THR A 58 4.490 -8.865 8.211 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.708 -10.338 9.611 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.142 -9.198 10.021 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.213 -7.562 9.324 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.428 -7.825 10.900 1.00 0.00 H new ATOM 891 N LEU A 59 3.548 -6.766 6.638 1.00 0.00 N ATOM 892 CA LEU A 59 3.989 -6.086 5.426 1.00 0.00 C ATOM 893 C LEU A 59 3.659 -4.599 5.484 1.00 0.00 C ATOM 894 O LEU A 59 4.507 -3.753 5.195 1.00 0.00 O ATOM 895 CB LEU A 59 3.335 -6.717 4.196 1.00 0.00 C ATOM 896 CG LEU A 59 4.016 -6.399 2.864 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.384 -7.060 2.793 1.00 0.00 C ATOM 898 CD2 LEU A 59 3.145 -6.845 1.700 1.00 0.00 C ATOM 0 H LEU A 59 2.866 -7.508 6.481 1.00 0.00 H new ATOM 0 HA LEU A 59 5.071 -6.196 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.317 -7.799 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.298 -6.385 4.145 1.00 0.00 H new ATOM 0 HG LEU A 59 4.153 -5.320 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.854 -6.823 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.009 -6.691 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.271 -8.140 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.645 -6.611 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.976 -7.920 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.188 -6.324 1.741 1.00 0.00 H new ATOM 910 N MET A 60 2.424 -4.286 5.860 1.00 0.00 N ATOM 911 CA MET A 60 1.982 -2.900 5.957 1.00 0.00 C ATOM 912 C MET A 60 2.817 -2.132 6.976 1.00 0.00 C ATOM 913 O MET A 60 3.028 -0.926 6.839 1.00 0.00 O ATOM 914 CB MET A 60 0.504 -2.840 6.343 1.00 0.00 C ATOM 915 CG MET A 60 -0.441 -2.971 5.159 1.00 0.00 C ATOM 916 SD MET A 60 -0.325 -1.576 4.021 1.00 0.00 S ATOM 917 CE MET A 60 -1.172 -2.236 2.588 1.00 0.00 C ATOM 0 H MET A 60 1.711 -4.974 6.103 1.00 0.00 H new ATOM 0 HA MET A 60 2.115 -2.434 4.981 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.291 -3.636 7.057 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.308 -1.896 6.851 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.219 -3.893 4.622 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.465 -3.054 5.524 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.544 -1.415 1.975 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.480 -2.841 2.003 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.009 -2.854 2.913 1.00 0.00 H new ATOM 927 N ASP A 61 3.292 -2.837 7.998 1.00 0.00 N ATOM 928 CA ASP A 61 4.105 -2.222 9.040 1.00 0.00 C ATOM 929 C ASP A 61 5.469 -1.811 8.493 1.00 0.00 C ATOM 930 O ASP A 61 6.036 -0.801 8.909 1.00 0.00 O ATOM 931 CB ASP A 61 4.282 -3.186 10.214 1.00 0.00 C ATOM 932 CG ASP A 61 4.196 -2.484 11.556 1.00 0.00 C ATOM 933 OD1 ASP A 61 4.507 -1.276 11.615 1.00 0.00 O ATOM 934 OD2 ASP A 61 3.820 -3.144 12.547 1.00 0.00 O ATOM 0 H ASP A 61 3.127 -3.835 8.126 1.00 0.00 H new ATOM 0 HA ASP A 61 3.589 -1.328 9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.517 -3.961 10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.248 -3.685 10.129 1.00 0.00 H new ATOM 939 N ASN A 62 5.988 -2.601 7.559 1.00 0.00 N ATOM 940 CA ASN A 62 7.284 -2.319 6.955 1.00 0.00 C ATOM 941 C ASN A 62 7.161 -1.253 5.873 1.00 0.00 C ATOM 942 O ASN A 62 8.046 -0.413 5.710 1.00 0.00 O ATOM 943 CB ASN A 62 7.881 -3.598 6.362 1.00 0.00 C ATOM 944 CG ASN A 62 8.709 -4.370 7.369 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.822 -4.806 7.073 1.00 0.00 O ATOM 946 ND2 ASN A 62 8.168 -4.545 8.570 1.00 0.00 N ATOM 0 H ASN A 62 5.531 -3.441 7.204 1.00 0.00 H new ATOM 0 HA ASN A 62 7.946 -1.943 7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.076 -4.234 5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.503 -3.342 5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.678 -5.058 9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.243 -4.167 8.773 1.00 0.00 H new ATOM 953 N TYR A 63 6.055 -1.291 5.136 1.00 0.00 N ATOM 954 CA TYR A 63 5.816 -0.326 4.069 1.00 0.00 C ATOM 955 C TYR A 63 5.529 1.059 4.640 1.00 0.00 C ATOM 956 O TYR A 63 5.953 2.072 4.083 1.00 0.00 O ATOM 957 CB TYR A 63 4.645 -0.782 3.195 1.00 0.00 C ATOM 958 CG TYR A 63 4.723 -0.283 1.769 1.00 0.00 C ATOM 959 CD1 TYR A 63 5.855 -0.507 0.997 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.664 0.410 1.196 1.00 0.00 C ATOM 961 CE1 TYR A 63 5.930 -0.054 -0.307 1.00 0.00 C ATOM 962 CE2 TYR A 63 3.731 0.867 -0.106 1.00 0.00 C ATOM 963 CZ TYR A 63 4.866 0.633 -0.853 1.00 0.00 C ATOM 964 OH TYR A 63 4.937 1.086 -2.150 1.00 0.00 O ATOM 0 H TYR A 63 5.312 -1.979 5.258 1.00 0.00 H new ATOM 0 HA TYR A 63 6.717 -0.267 3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.610 -1.871 3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.713 -0.436 3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.690 -1.044 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.773 0.595 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.817 -0.237 -0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.899 1.405 -0.536 1.00 0.00 H new ATOM 0 HH TYR A 63 4.932 2.066 -2.155 1.00 0.00 H new ATOM 974 N GLU A 64 4.809 1.095 5.756 1.00 0.00 N ATOM 975 CA GLU A 64 4.466 2.356 6.404 1.00 0.00 C ATOM 976 C GLU A 64 5.721 3.082 6.877 1.00 0.00 C ATOM 977 O GLU A 64 5.860 4.290 6.686 1.00 0.00 O ATOM 978 CB GLU A 64 3.530 2.107 7.588 1.00 0.00 C ATOM 979 CG GLU A 64 3.079 3.380 8.284 1.00 0.00 C ATOM 980 CD GLU A 64 2.346 3.105 9.584 1.00 0.00 C ATOM 981 OE1 GLU A 64 1.721 2.030 9.696 1.00 0.00 O ATOM 982 OE2 GLU A 64 2.400 3.964 10.488 1.00 0.00 O ATOM 0 H GLU A 64 4.452 0.266 6.231 1.00 0.00 H new ATOM 0 HA GLU A 64 3.957 2.985 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.652 1.563 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.035 1.467 8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.948 4.007 8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.428 3.944 7.616 1.00 0.00 H new ATOM 989 N VAL A 65 6.632 2.338 7.495 1.00 0.00 N ATOM 990 CA VAL A 65 7.875 2.911 7.996 1.00 0.00 C ATOM 991 C VAL A 65 8.744 3.421 6.852 1.00 0.00 C ATOM 992 O VAL A 65 9.299 4.518 6.922 1.00 0.00 O ATOM 993 CB VAL A 65 8.679 1.882 8.817 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.890 2.539 9.460 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.795 1.231 9.871 1.00 0.00 C ATOM 0 H VAL A 65 6.532 1.336 7.661 1.00 0.00 H new ATOM 0 HA VAL A 65 7.601 3.745 8.642 1.00 0.00 H new ATOM 0 HB VAL A 65 9.033 1.104 8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.444 1.797 10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.534 2.952 8.684 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.561 3.339 10.123 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.380 0.508 10.440 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.408 1.996 10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.963 0.722 9.384 1.00 0.00 H new ATOM 1005 N SER A 66 8.858 2.619 5.799 1.00 0.00 N ATOM 1006 CA SER A 66 9.659 2.989 4.638 1.00 0.00 C ATOM 1007 C SER A 66 9.119 4.258 3.986 1.00 0.00 C ATOM 1008 O SER A 66 9.875 5.045 3.416 1.00 0.00 O ATOM 1009 CB SER A 66 9.680 1.847 3.620 1.00 0.00 C ATOM 1010 OG SER A 66 10.798 1.002 3.825 1.00 0.00 O ATOM 0 H SER A 66 8.405 1.708 5.726 1.00 0.00 H new ATOM 0 HA SER A 66 10.677 3.182 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.761 1.266 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.710 2.256 2.610 1.00 0.00 H new ATOM 0 HG SER A 66 10.788 0.279 3.163 1.00 0.00 H new ATOM 1016 N GLY A 67 7.807 4.451 4.075 1.00 0.00 N ATOM 1017 CA GLY A 67 7.189 5.625 3.490 1.00 0.00 C ATOM 1018 C GLY A 67 5.727 5.407 3.155 1.00 0.00 C ATOM 1019 O GLY A 67 4.882 6.251 3.454 1.00 0.00 O ATOM 0 H GLY A 67 7.161 3.815 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.279 6.462 4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.728 5.902 2.584 1.00 0.00 H new ATOM 1023 N GLY A 68 5.427 4.271 2.534 1.00 0.00 N ATOM 1024 CA GLY A 68 4.056 3.964 2.170 1.00 0.00 C ATOM 1025 C GLY A 68 3.542 4.850 1.052 1.00 0.00 C ATOM 1026 O GLY A 68 3.213 6.015 1.275 1.00 0.00 O ATOM 0 H GLY A 68 6.109 3.557 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.990 2.920 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.416 4.080 3.045 1.00 0.00 H new ATOM 1030 N THR A 69 3.470 4.296 -0.154 1.00 0.00 N ATOM 1031 CA THR A 69 2.992 5.042 -1.313 1.00 0.00 C ATOM 1032 C THR A 69 1.678 4.462 -1.828 1.00 0.00 C ATOM 1033 O THR A 69 1.555 3.253 -2.019 1.00 0.00 O ATOM 1034 CB THR A 69 4.043 5.028 -2.424 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.931 3.937 -2.262 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.874 6.293 -2.477 1.00 0.00 C ATOM 0 H THR A 69 3.737 3.332 -0.354 1.00 0.00 H new ATOM 0 HA THR A 69 2.816 6.073 -1.005 1.00 0.00 H new ATOM 0 HB THR A 69 3.480 4.943 -3.353 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.594 3.945 -2.983 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.600 6.218 -3.287 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.223 7.149 -2.652 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.399 6.424 -1.530 1.00 0.00 H new ATOM 1044 N VAL A 70 0.700 5.333 -2.051 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.605 4.908 -2.544 1.00 0.00 C ATOM 1046 C VAL A 70 -0.535 4.520 -4.017 1.00 0.00 C ATOM 1047 O VAL A 70 -1.048 3.477 -4.419 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.662 6.016 -2.366 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.045 5.501 -2.737 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.649 6.545 -0.939 1.00 0.00 C ATOM 0 H VAL A 70 0.786 6.338 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.898 4.039 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.413 6.839 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.777 6.297 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.045 5.177 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.304 4.659 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.402 7.326 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.870 5.732 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.665 6.956 -0.712 1.00 0.00 H new ATOM 1060 N ARG A 71 0.103 5.368 -4.817 1.00 0.00 N ATOM 1061 CA ARG A 71 0.240 5.115 -6.247 1.00 0.00 C ATOM 1062 C ARG A 71 0.979 3.805 -6.500 1.00 0.00 C ATOM 1063 O ARG A 71 0.710 3.106 -7.477 1.00 0.00 O ATOM 1064 CB ARG A 71 0.980 6.270 -6.922 1.00 0.00 C ATOM 1065 CG ARG A 71 0.335 7.626 -6.686 1.00 0.00 C ATOM 1066 CD ARG A 71 0.999 8.713 -7.517 1.00 0.00 C ATOM 1067 NE ARG A 71 0.072 9.792 -7.849 1.00 0.00 N ATOM 1068 CZ ARG A 71 0.279 10.674 -8.823 1.00 0.00 C ATOM 1069 NH1 ARG A 71 1.380 10.611 -9.563 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -0.616 11.623 -9.058 1.00 0.00 N ATOM 0 H ARG A 71 0.533 6.237 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.760 5.035 -6.673 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.006 6.296 -6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.029 6.082 -7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.725 7.574 -6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.402 7.883 -5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.848 9.121 -6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.392 8.278 -8.436 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.785 9.874 -7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.073 9.883 -9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.533 11.290 -10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.463 11.677 -8.492 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.458 12.300 -9.805 1.00 0.00 H new ATOM 1084 N GLU A 72 1.914 3.478 -5.613 1.00 0.00 N ATOM 1085 CA GLU A 72 2.693 2.252 -5.740 1.00 0.00 C ATOM 1086 C GLU A 72 1.876 1.040 -5.302 1.00 0.00 C ATOM 1087 O GLU A 72 2.043 -0.058 -5.832 1.00 0.00 O ATOM 1088 CB GLU A 72 3.972 2.348 -4.906 1.00 0.00 C ATOM 1089 CG GLU A 72 5.104 3.078 -5.610 1.00 0.00 C ATOM 1090 CD GLU A 72 6.469 2.532 -5.241 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.689 1.316 -5.416 1.00 0.00 O ATOM 1092 OE2 GLU A 72 7.319 3.322 -4.778 1.00 0.00 O ATOM 0 H GLU A 72 2.150 4.045 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 72 2.960 2.127 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.748 2.859 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.304 1.342 -4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.966 3.001 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.060 4.138 -5.358 1.00 0.00 H new ATOM 1099 N LEU A 73 0.991 1.249 -4.333 1.00 0.00 N ATOM 1100 CA LEU A 73 0.147 0.173 -3.824 1.00 0.00 C ATOM 1101 C LEU A 73 -0.945 -0.183 -4.828 1.00 0.00 C ATOM 1102 O LEU A 73 -1.260 -1.356 -5.028 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.482 0.579 -2.490 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.258 -0.530 -1.777 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.302 -1.545 -1.170 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.165 0.059 -0.706 1.00 0.00 C ATOM 0 H LEU A 73 0.839 2.152 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 73 0.773 -0.706 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.307 0.934 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.155 1.419 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.880 -1.042 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.872 -2.326 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.305 -1.989 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.347 -1.048 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.710 -0.744 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.562 0.596 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.874 0.747 -1.167 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.519 0.838 -5.456 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.576 0.634 -6.440 1.00 0.00 C ATOM 1120 C VAL A 74 -2.038 -0.067 -7.682 1.00 0.00 C ATOM 1121 O VAL A 74 -2.739 -0.858 -8.314 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.224 1.969 -6.855 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.419 1.725 -7.765 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.636 2.768 -5.627 1.00 0.00 C ATOM 0 H VAL A 74 -1.270 1.815 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.332 0.006 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.487 2.551 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.863 2.680 -8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.092 1.198 -8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.159 1.122 -7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.092 3.707 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.355 2.193 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.757 2.977 -5.017 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.790 0.228 -8.029 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.158 -0.374 -9.196 1.00 0.00 C ATOM 1136 C GLU A 75 0.210 -1.830 -8.926 1.00 0.00 C ATOM 1137 O GLU A 75 -0.027 -2.706 -9.758 1.00 0.00 O ATOM 1138 CB GLU A 75 1.092 0.415 -9.590 1.00 0.00 C ATOM 1139 CG GLU A 75 0.830 1.487 -10.636 1.00 0.00 C ATOM 1140 CD GLU A 75 2.031 2.382 -10.867 1.00 0.00 C ATOM 1141 OE1 GLU A 75 3.158 1.852 -10.959 1.00 0.00 O ATOM 1142 OE2 GLU A 75 1.845 3.614 -10.956 1.00 0.00 O ATOM 0 H GLU A 75 -0.196 0.881 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.872 -0.345 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.512 0.883 -8.700 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.843 -0.277 -9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.550 1.011 -11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.017 2.096 -10.322 1.00 0.00 H new ATOM 1149 N ALA A 76 0.790 -2.081 -7.756 1.00 0.00 N ATOM 1150 CA ALA A 76 1.190 -3.430 -7.376 1.00 0.00 C ATOM 1151 C ALA A 76 -0.010 -4.372 -7.349 1.00 0.00 C ATOM 1152 O ALA A 76 0.118 -5.564 -7.625 1.00 0.00 O ATOM 1153 CB ALA A 76 1.880 -3.414 -6.020 1.00 0.00 C ATOM 0 H ALA A 76 0.993 -1.368 -7.056 1.00 0.00 H new ATOM 0 HA ALA A 76 1.892 -3.798 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.173 -4.428 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.766 -2.781 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.196 -3.021 -5.268 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.176 -3.825 -7.017 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.399 -4.616 -6.956 1.00 0.00 C ATOM 1161 C LEU A 77 -2.868 -5.004 -8.354 1.00 0.00 C ATOM 1162 O LEU A 77 -3.465 -6.062 -8.549 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.500 -3.835 -6.235 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.251 -3.589 -4.746 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.077 -2.410 -4.255 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.568 -4.839 -3.940 1.00 0.00 C ATOM 0 H LEU A 77 -1.299 -2.839 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.184 -5.528 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.625 -2.872 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.440 -4.376 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.197 -3.350 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.887 -2.250 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.801 -1.515 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.136 -2.619 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.385 -4.646 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.614 -5.109 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.932 -5.659 -4.275 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.593 -4.138 -9.325 1.00 0.00 N ATOM 1179 CA ARG A 78 -2.987 -4.388 -10.706 1.00 0.00 C ATOM 1180 C ARG A 78 -2.059 -5.406 -11.361 1.00 0.00 C ATOM 1181 O ARG A 78 -2.491 -6.225 -12.172 1.00 0.00 O ATOM 1182 CB ARG A 78 -2.979 -3.083 -11.505 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.131 -2.967 -12.491 1.00 0.00 C ATOM 1184 CD ARG A 78 -3.951 -1.774 -13.418 1.00 0.00 C ATOM 1185 NE ARG A 78 -4.209 -0.508 -12.736 1.00 0.00 N ATOM 1186 CZ ARG A 78 -5.429 -0.039 -12.479 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -6.503 -0.728 -12.843 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -5.574 1.123 -11.855 1.00 0.00 N ATOM 0 H ARG A 78 -2.099 -3.257 -9.180 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.998 -4.796 -10.701 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.018 -2.242 -10.812 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.037 -3.005 -12.048 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.200 -3.881 -13.081 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.070 -2.868 -11.946 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.935 -1.772 -13.814 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.625 -1.871 -14.269 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.408 0.049 -12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.397 -1.622 -13.322 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.435 -0.364 -12.643 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.752 1.656 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.508 1.483 -11.658 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.780 -5.348 -11.002 1.00 0.00 N ATOM 1203 CA GLN A 79 0.210 -6.265 -11.555 1.00 0.00 C ATOM 1204 C GLN A 79 -0.107 -7.706 -11.170 1.00 0.00 C ATOM 1205 O GLN A 79 0.179 -8.637 -11.923 1.00 0.00 O ATOM 1206 CB GLN A 79 1.611 -5.889 -11.066 1.00 0.00 C ATOM 1207 CG GLN A 79 2.063 -4.510 -11.517 1.00 0.00 C ATOM 1208 CD GLN A 79 3.567 -4.337 -11.440 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.320 -5.040 -12.113 1.00 0.00 O ATOM 1210 NE2 GLN A 79 4.013 -3.396 -10.615 1.00 0.00 N ATOM 0 H GLN A 79 -0.406 -4.677 -10.332 1.00 0.00 H new ATOM 0 HA GLN A 79 0.177 -6.184 -12.642 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.630 -5.930 -9.977 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.324 -6.631 -11.425 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.733 -4.341 -12.542 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.581 -3.753 -10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.353 -2.836 -10.076 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.016 -3.234 -10.521 1.00 0.00 H new ATOM 1219 N MET A 80 -0.698 -7.882 -9.993 1.00 0.00 N ATOM 1220 CA MET A 80 -1.055 -9.210 -9.507 1.00 0.00 C ATOM 1221 C MET A 80 -2.414 -9.640 -10.049 1.00 0.00 C ATOM 1222 O MET A 80 -2.638 -10.817 -10.330 1.00 0.00 O ATOM 1223 CB MET A 80 -1.072 -9.229 -7.978 1.00 0.00 C ATOM 1224 CG MET A 80 0.310 -9.318 -7.354 1.00 0.00 C ATOM 1225 SD MET A 80 0.368 -8.626 -5.690 1.00 0.00 S ATOM 1226 CE MET A 80 -0.854 -9.637 -4.859 1.00 0.00 C ATOM 0 H MET A 80 -0.940 -7.122 -9.358 1.00 0.00 H new ATOM 0 HA MET A 80 -0.303 -9.914 -9.863 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.566 -8.327 -7.618 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.669 -10.076 -7.640 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.622 -10.362 -7.320 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.025 -8.792 -7.987 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.985 -9.283 -3.836 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.803 -9.570 -5.390 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.519 -10.674 -4.844 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.319 -8.677 -10.195 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.645 -8.976 -10.703 1.00 0.00 C ATOM 1238 C GLY A 81 -5.728 -8.758 -9.664 1.00 0.00 C ATOM 1239 O GLY A 81 -6.776 -9.404 -9.706 1.00 0.00 O ATOM 0 H GLY A 81 -3.157 -7.695 -9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.848 -8.349 -11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.675 -10.011 -11.043 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.475 -7.848 -8.729 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.437 -7.548 -7.675 1.00 0.00 C ATOM 1245 C TYR A 82 -7.496 -6.567 -8.169 1.00 0.00 C ATOM 1246 O TYR A 82 -7.188 -5.614 -8.884 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.721 -6.974 -6.450 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.529 -7.976 -5.335 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.621 -8.555 -4.700 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.257 -8.344 -4.917 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.450 -9.471 -3.679 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.077 -9.259 -3.896 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.177 -9.820 -3.282 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.003 -10.732 -2.266 1.00 0.00 O ATOM 0 H TYR A 82 -4.612 -7.306 -8.680 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.933 -8.477 -7.393 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.747 -6.592 -6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.291 -6.126 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.620 -8.285 -5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.394 -7.908 -5.398 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.309 -9.911 -3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.081 -9.533 -3.581 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.846 -11.204 -2.102 1.00 0.00 H new ATOM 1264 N THR A 83 -8.745 -6.807 -7.782 1.00 0.00 N ATOM 1265 CA THR A 83 -9.850 -5.946 -8.184 1.00 0.00 C ATOM 1266 C THR A 83 -10.527 -5.325 -6.967 1.00 0.00 C ATOM 1267 O THR A 83 -10.715 -4.110 -6.899 1.00 0.00 O ATOM 1268 CB THR A 83 -10.870 -6.739 -9.002 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.222 -7.705 -9.810 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.715 -5.873 -9.910 1.00 0.00 C ATOM 0 H THR A 83 -9.017 -7.592 -7.190 1.00 0.00 H new ATOM 0 HA THR A 83 -9.446 -5.143 -8.801 1.00 0.00 H new ATOM 0 HB THR A 83 -11.523 -7.211 -8.268 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.891 -8.203 -10.324 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.417 -6.499 -10.461 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.268 -5.149 -9.311 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.070 -5.346 -10.613 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.893 -6.169 -6.007 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.550 -5.705 -4.791 1.00 0.00 C ATOM 1280 C GLU A 84 -10.604 -4.851 -3.952 1.00 0.00 C ATOM 1281 O GLU A 84 -11.018 -3.868 -3.338 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.048 -6.897 -3.970 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.425 -6.686 -3.362 1.00 0.00 C ATOM 1284 CD GLU A 84 -13.589 -7.394 -2.032 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -12.679 -7.284 -1.184 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.628 -8.060 -1.839 1.00 0.00 O ATOM 0 H GLU A 84 -10.746 -7.177 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.403 -5.090 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.073 -7.781 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.335 -7.100 -3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.598 -5.619 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.184 -7.045 -4.057 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.332 -5.237 -3.929 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.327 -4.508 -3.164 1.00 0.00 C ATOM 1295 C ALA A 85 -8.182 -3.076 -3.668 1.00 0.00 C ATOM 1296 O ALA A 85 -8.130 -2.133 -2.880 1.00 0.00 O ATOM 1297 CB ALA A 85 -6.990 -5.230 -3.231 1.00 0.00 C ATOM 0 H ALA A 85 -8.973 -6.049 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.656 -4.467 -2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.248 -4.676 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.096 -6.232 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.666 -5.300 -4.269 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.117 -2.921 -4.987 1.00 0.00 N ATOM 1304 CA ILE A 86 -7.978 -1.604 -5.595 1.00 0.00 C ATOM 1305 C ILE A 86 -9.232 -0.764 -5.380 1.00 0.00 C ATOM 1306 O ILE A 86 -9.164 0.462 -5.295 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.693 -1.708 -7.106 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.525 -2.662 -7.363 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.397 -0.332 -7.687 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.184 -2.820 -8.829 1.00 0.00 C ATOM 0 H ILE A 86 -8.158 -3.691 -5.654 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.132 -1.119 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.579 -2.106 -7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.646 -2.298 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.767 -3.640 -6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.198 -0.423 -8.755 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.256 0.321 -7.532 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.525 0.093 -7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.347 -3.510 -8.936 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.049 -3.213 -9.363 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.910 -1.851 -9.245 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.379 -1.432 -5.292 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.649 -0.746 -5.086 1.00 0.00 C ATOM 1324 C GLU A 87 -11.717 -0.138 -3.689 1.00 0.00 C ATOM 1325 O GLU A 87 -12.354 0.895 -3.480 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.815 -1.714 -5.289 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.143 -1.973 -6.751 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.601 -2.332 -6.966 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -14.959 -3.510 -6.759 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.383 -1.434 -7.341 1.00 0.00 O ATOM 0 H GLU A 87 -10.454 -2.447 -5.360 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.722 0.058 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.578 -2.661 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.699 -1.314 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.901 -1.086 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.515 -2.782 -7.123 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.058 -0.787 -2.734 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.043 -0.312 -1.356 1.00 0.00 C ATOM 1339 C VAL A 88 -10.240 0.978 -1.226 1.00 0.00 C ATOM 1340 O VAL A 88 -10.615 1.881 -0.478 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.451 -1.368 -0.404 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.635 -0.943 1.045 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.086 -2.729 -0.654 1.00 0.00 C ATOM 0 H VAL A 88 -10.527 -1.644 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.079 -0.121 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.382 -1.450 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.211 -1.701 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.129 0.008 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.698 -0.830 1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.655 -3.462 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.161 -2.665 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.897 -3.035 -1.683 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.134 1.058 -1.958 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.278 2.237 -1.924 1.00 0.00 C ATOM 1355 C ILE A 89 -8.856 3.360 -2.778 1.00 0.00 C ATOM 1356 O ILE A 89 -8.679 4.539 -2.474 1.00 0.00 O ATOM 1357 CB ILE A 89 -6.855 1.914 -2.415 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.322 0.663 -1.716 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -5.930 3.097 -2.172 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.081 0.089 -2.365 1.00 0.00 C ATOM 0 H ILE A 89 -8.810 0.320 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.229 2.562 -0.885 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.892 1.720 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.100 0.905 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.102 -0.098 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.928 2.853 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.303 3.967 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.896 3.319 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.760 -0.796 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.303 -0.184 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.285 0.834 -2.350 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.548 2.986 -3.849 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.154 3.962 -4.748 1.00 0.00 C ATOM 1374 C GLN A 90 -11.459 4.498 -4.169 1.00 0.00 C ATOM 1375 O GLN A 90 -11.773 5.679 -4.310 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.411 3.333 -6.120 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.144 3.077 -6.919 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.261 3.534 -8.360 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -9.715 4.645 -8.635 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -8.851 2.678 -9.288 1.00 0.00 N ATOM 0 H GLN A 90 -9.703 2.014 -4.116 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.459 4.794 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.942 2.391 -5.985 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.066 3.988 -6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.309 3.593 -6.445 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.914 2.012 -6.897 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.481 1.768 -9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.905 2.931 -10.275 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.214 3.621 -3.517 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.486 4.005 -2.915 1.00 0.00 C ATOM 1391 C ALA A 91 -13.292 5.099 -1.871 1.00 0.00 C ATOM 1392 O ALA A 91 -14.169 5.938 -1.667 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.162 2.792 -2.293 1.00 0.00 C ATOM 0 H ALA A 91 -11.968 2.639 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.128 4.401 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.110 3.093 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.344 2.042 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.516 2.371 -1.522 1.00 0.00 H new ATOM 1399 N ALA A 92 -12.138 5.083 -1.212 1.00 0.00 N ATOM 1400 CA ALA A 92 -11.830 6.074 -0.188 1.00 0.00 C ATOM 1401 C ALA A 92 -11.156 7.300 -0.796 1.00 0.00 C ATOM 1402 O ALA A 92 -11.625 8.426 -0.625 1.00 0.00 O ATOM 1403 CB ALA A 92 -10.944 5.464 0.887 1.00 0.00 C ATOM 0 H ALA A 92 -11.401 4.395 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.768 6.394 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.722 6.215 1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.460 4.623 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.014 5.116 0.438 1.00 0.00 H new ATOM 1409 N SER A 93 -10.056 7.075 -1.506 1.00 0.00 N ATOM 1410 CA SER A 93 -9.319 8.162 -2.139 1.00 0.00 C ATOM 1411 C SER A 93 -9.985 8.585 -3.444 1.00 0.00 C ATOM 1412 O SER A 93 -10.267 7.752 -4.307 1.00 0.00 O ATOM 1413 CB SER A 93 -7.873 7.739 -2.405 1.00 0.00 C ATOM 1414 OG SER A 93 -6.982 8.827 -2.231 1.00 0.00 O ATOM 0 H SER A 93 -9.655 6.149 -1.658 1.00 0.00 H new ATOM 0 HA SER A 93 -9.322 9.013 -1.458 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.598 6.929 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.785 7.352 -3.420 1.00 0.00 H new ATOM 0 HG SER A 93 -6.141 8.639 -2.697 1.00 0.00 H new ATOM 1420 N SER A 94 -10.236 9.882 -3.582 1.00 0.00 N ATOM 1421 CA SER A 94 -10.870 10.415 -4.782 1.00 0.00 C ATOM 1422 C SER A 94 -10.247 11.749 -5.180 1.00 0.00 C ATOM 1423 O SER A 94 -9.399 12.287 -4.468 1.00 0.00 O ATOM 1424 CB SER A 94 -12.373 10.587 -4.556 1.00 0.00 C ATOM 1425 OG SER A 94 -12.644 11.033 -3.239 1.00 0.00 O ATOM 0 H SER A 94 -10.010 10.584 -2.877 1.00 0.00 H new ATOM 0 HA SER A 94 -10.711 9.705 -5.593 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.772 11.303 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.881 9.639 -4.734 1.00 0.00 H new ATOM 0 HG SER A 94 -13.611 11.137 -3.121 1.00 0.00 H new ATOM 1431 N SER A 95 -10.674 12.278 -6.323 1.00 0.00 N ATOM 1432 CA SER A 95 -10.160 13.550 -6.816 1.00 0.00 C ATOM 1433 C SER A 95 -11.184 14.240 -7.712 1.00 0.00 C ATOM 1434 O SER A 95 -11.457 13.787 -8.822 1.00 0.00 O ATOM 1435 CB SER A 95 -8.856 13.331 -7.587 1.00 0.00 C ATOM 1436 OG SER A 95 -7.934 14.378 -7.338 1.00 0.00 O ATOM 0 H SER A 95 -11.375 11.845 -6.925 1.00 0.00 H new ATOM 0 HA SER A 95 -9.964 14.192 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.415 12.377 -7.298 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.067 13.274 -8.655 1.00 0.00 H new ATOM 0 HG SER A 95 -7.109 14.214 -7.841 1.00 0.00 H new ATOM 1442 N GLY A 96 -11.747 15.339 -7.219 1.00 0.00 N ATOM 1443 CA GLY A 96 -12.734 16.073 -7.988 1.00 0.00 C ATOM 1444 C GLY A 96 -13.570 17.001 -7.125 1.00 0.00 C ATOM 1445 O GLY A 96 -14.743 16.725 -6.871 1.00 0.00 O ATOM 0 H GLY A 96 -11.537 15.733 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -12.230 16.655 -8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -13.390 15.368 -8.499 1.00 0.00 H new ATOM 1449 N PRO A 97 -12.990 18.119 -6.656 1.00 0.00 N ATOM 1450 CA PRO A 97 -13.702 19.085 -5.814 1.00 0.00 C ATOM 1451 C PRO A 97 -15.023 19.529 -6.433 1.00 0.00 C ATOM 1452 O PRO A 97 -15.058 20.015 -7.564 1.00 0.00 O ATOM 1453 CB PRO A 97 -12.730 20.263 -5.723 1.00 0.00 C ATOM 1454 CG PRO A 97 -11.385 19.664 -5.949 1.00 0.00 C ATOM 1455 CD PRO A 97 -11.595 18.526 -6.910 1.00 0.00 C ATOM 0 HA PRO A 97 -13.970 18.662 -4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.956 21.022 -6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -12.788 20.750 -4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -10.694 20.400 -6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -10.953 19.310 -5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.450 18.840 -7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.898 17.709 -6.724 1.00 0.00 H new ATOM 1463 N SER A 98 -16.108 19.361 -5.684 1.00 0.00 N ATOM 1464 CA SER A 98 -17.432 19.745 -6.159 1.00 0.00 C ATOM 1465 C SER A 98 -17.863 21.075 -5.552 1.00 0.00 C ATOM 1466 O SER A 98 -18.022 22.070 -6.259 1.00 0.00 O ATOM 1467 CB SER A 98 -18.453 18.660 -5.817 1.00 0.00 C ATOM 1468 OG SER A 98 -18.114 17.428 -6.428 1.00 0.00 O ATOM 0 H SER A 98 -16.096 18.961 -4.746 1.00 0.00 H new ATOM 0 HA SER A 98 -17.383 19.860 -7.242 1.00 0.00 H new ATOM 0 HB2 SER A 98 -18.503 18.531 -4.736 1.00 0.00 H new ATOM 0 HB3 SER A 98 -19.444 18.972 -6.147 1.00 0.00 H new ATOM 0 HG SER A 98 -18.782 16.751 -6.192 1.00 0.00 H new ATOM 1474 N SER A 99 -18.051 21.087 -4.236 1.00 0.00 N ATOM 1475 CA SER A 99 -18.464 22.295 -3.533 1.00 0.00 C ATOM 1476 C SER A 99 -17.291 23.256 -3.367 1.00 0.00 C ATOM 1477 O SER A 99 -16.133 22.839 -3.337 1.00 0.00 O ATOM 1478 CB SER A 99 -19.045 21.941 -2.163 1.00 0.00 C ATOM 1479 OG SER A 99 -18.301 20.906 -1.544 1.00 0.00 O ATOM 0 H SER A 99 -17.924 20.273 -3.635 1.00 0.00 H new ATOM 0 HA SER A 99 -19.232 22.787 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 99 -19.044 22.825 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 99 -20.084 21.629 -2.275 1.00 0.00 H new ATOM 0 HG SER A 99 -18.692 20.700 -0.669 1.00 0.00 H new ATOM 1485 N GLY A 100 -17.599 24.545 -3.261 1.00 0.00 N ATOM 1486 CA GLY A 100 -16.560 25.544 -3.099 1.00 0.00 C ATOM 1487 C GLY A 100 -16.859 26.820 -3.861 1.00 0.00 C ATOM 1488 O GLY A 100 -17.841 27.506 -3.507 1.00 0.00 O ATOM 1489 OXT GLY A 100 -16.111 27.134 -4.811 1.00 0.00 O ATOM 0 H GLY A 100 -18.549 24.915 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -16.445 25.775 -2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -15.610 25.134 -3.441 1.00 0.00 H new TER 1493 GLY A 100