USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 966 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 77 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Set 1.2: A 79 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 CYS SG : rot 30:sc= -0.145 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0591 USER MOD Single : A 15 SER OG : rot 87:sc= 0.302 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 127:sc= 0.537 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.026 (180deg=-0.167) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 26:sc= 0.103 USER MOD Single : A 43 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.588 X(o=-0.59,f=-0.09) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.882 K(o=-0.88,f=-4!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.203 X(o=0.2,f=-0.0014) USER MOD Single : A 71 TYR OH : rot 120:sc= -0.0634 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.311 X(o=-0.31,f=-0.028) USER MOD Single : A 93 THR OG1 : rot 74:sc= 0.401 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 100 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-3!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -123:sc= -1.29 (180deg=-2.71!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 39:sc= 0.799 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.329 22.401 -6.891 1.00 0.00 N ATOM 2 CA GLY A 1 -15.646 21.983 -7.336 1.00 0.00 C ATOM 3 C GLY A 1 -16.499 23.148 -7.796 1.00 0.00 C ATOM 4 O GLY A 1 -16.294 23.685 -8.885 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.785 21.568 -6.587 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.832 22.873 -7.673 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.425 23.062 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.540 21.269 -8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.153 21.464 -6.523 1.00 0.00 H new ATOM 8 N SER A 2 -17.460 23.540 -6.966 1.00 0.00 N ATOM 9 CA SER A 2 -18.352 24.646 -7.296 1.00 0.00 C ATOM 10 C SER A 2 -17.575 25.954 -7.411 1.00 0.00 C ATOM 11 O SER A 2 -17.727 26.695 -8.382 1.00 0.00 O ATOM 12 CB SER A 2 -19.446 24.781 -6.235 1.00 0.00 C ATOM 13 OG SER A 2 -20.552 23.947 -6.535 1.00 0.00 O ATOM 0 H SER A 2 -17.641 23.108 -6.060 1.00 0.00 H new ATOM 0 HA SER A 2 -18.815 24.432 -8.259 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.043 24.518 -5.257 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.774 25.819 -6.176 1.00 0.00 H new ATOM 0 HG SER A 2 -21.237 24.050 -5.842 1.00 0.00 H new ATOM 19 N SER A 3 -16.743 26.230 -6.412 1.00 0.00 N ATOM 20 CA SER A 3 -15.944 27.451 -6.398 1.00 0.00 C ATOM 21 C SER A 3 -14.570 27.208 -7.015 1.00 0.00 C ATOM 22 O SER A 3 -14.135 27.945 -7.898 1.00 0.00 O ATOM 23 CB SER A 3 -15.790 27.967 -4.967 1.00 0.00 C ATOM 24 OG SER A 3 -15.149 29.231 -4.947 1.00 0.00 O ATOM 0 H SER A 3 -16.604 25.626 -5.602 1.00 0.00 H new ATOM 0 HA SER A 3 -16.462 28.203 -6.994 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.771 28.046 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.212 27.253 -4.380 1.00 0.00 H new ATOM 0 HG SER A 3 -15.064 29.540 -4.021 1.00 0.00 H new ATOM 30 N GLY A 4 -13.891 26.167 -6.541 1.00 0.00 N ATOM 31 CA GLY A 4 -12.573 25.845 -7.057 1.00 0.00 C ATOM 32 C GLY A 4 -11.468 26.575 -6.319 1.00 0.00 C ATOM 33 O GLY A 4 -11.125 27.705 -6.663 1.00 0.00 O ATOM 0 H GLY A 4 -14.230 25.542 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.409 24.770 -6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.528 26.100 -8.116 1.00 0.00 H new ATOM 37 N SER A 5 -10.911 25.927 -5.301 1.00 0.00 N ATOM 38 CA SER A 5 -9.841 26.524 -4.509 1.00 0.00 C ATOM 39 C SER A 5 -8.536 25.757 -4.693 1.00 0.00 C ATOM 40 O SER A 5 -8.397 24.626 -4.226 1.00 0.00 O ATOM 41 CB SER A 5 -10.227 26.550 -3.029 1.00 0.00 C ATOM 42 OG SER A 5 -9.130 26.943 -2.223 1.00 0.00 O ATOM 0 H SER A 5 -11.182 24.989 -5.005 1.00 0.00 H new ATOM 0 HA SER A 5 -9.693 27.547 -4.856 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.058 27.239 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.572 25.563 -2.723 1.00 0.00 H new ATOM 0 HG SER A 5 -9.403 26.953 -1.282 1.00 0.00 H new ATOM 48 N SER A 6 -7.582 26.380 -5.377 1.00 0.00 N ATOM 49 CA SER A 6 -6.288 25.755 -5.627 1.00 0.00 C ATOM 50 C SER A 6 -5.598 25.391 -4.315 1.00 0.00 C ATOM 51 O SER A 6 -4.996 24.325 -4.193 1.00 0.00 O ATOM 52 CB SER A 6 -5.395 26.691 -6.443 1.00 0.00 C ATOM 53 OG SER A 6 -4.952 27.786 -5.660 1.00 0.00 O ATOM 0 H SER A 6 -7.680 27.317 -5.768 1.00 0.00 H new ATOM 0 HA SER A 6 -6.458 24.840 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.535 26.139 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.944 27.059 -7.310 1.00 0.00 H new ATOM 0 HG SER A 6 -4.382 28.368 -6.204 1.00 0.00 H new ATOM 59 N GLY A 7 -5.691 26.286 -3.337 1.00 0.00 N ATOM 60 CA GLY A 7 -5.072 26.042 -2.047 1.00 0.00 C ATOM 61 C GLY A 7 -4.010 27.070 -1.710 1.00 0.00 C ATOM 62 O GLY A 7 -3.856 28.066 -2.416 1.00 0.00 O ATOM 0 H GLY A 7 -6.184 27.176 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.839 26.049 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.625 25.048 -2.044 1.00 0.00 H new ATOM 66 N GLU A 8 -3.277 26.829 -0.627 1.00 0.00 N ATOM 67 CA GLU A 8 -2.226 27.744 -0.198 1.00 0.00 C ATOM 68 C GLU A 8 -0.894 27.014 -0.056 1.00 0.00 C ATOM 69 O GLU A 8 -0.829 25.791 -0.179 1.00 0.00 O ATOM 70 CB GLU A 8 -2.604 28.402 1.131 1.00 0.00 C ATOM 71 CG GLU A 8 -2.858 27.407 2.252 1.00 0.00 C ATOM 72 CD GLU A 8 -4.294 26.919 2.284 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.953 26.943 1.224 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.757 26.513 3.370 1.00 0.00 O ATOM 0 H GLU A 8 -3.392 26.009 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.118 28.516 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.805 29.079 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.498 29.009 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.191 26.553 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.615 27.872 3.207 1.00 0.00 H new ATOM 81 N GLU A 9 0.166 27.774 0.203 1.00 0.00 N ATOM 82 CA GLU A 9 1.497 27.199 0.361 1.00 0.00 C ATOM 83 C GLU A 9 1.518 26.177 1.493 1.00 0.00 C ATOM 84 O GLU A 9 2.371 25.290 1.527 1.00 0.00 O ATOM 85 CB GLU A 9 2.523 28.301 0.634 1.00 0.00 C ATOM 86 CG GLU A 9 2.219 29.120 1.877 1.00 0.00 C ATOM 87 CD GLU A 9 3.426 29.890 2.377 1.00 0.00 C ATOM 88 OE1 GLU A 9 3.765 30.926 1.767 1.00 0.00 O ATOM 89 OE2 GLU A 9 4.032 29.456 3.379 1.00 0.00 O ATOM 0 H GLU A 9 0.129 28.788 0.308 1.00 0.00 H new ATOM 0 HA GLU A 9 1.758 26.691 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.510 27.850 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.567 28.967 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.412 29.819 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.863 28.458 2.666 1.00 0.00 H new ATOM 96 N ASP A 10 0.573 26.308 2.418 1.00 0.00 N ATOM 97 CA ASP A 10 0.482 25.396 3.552 1.00 0.00 C ATOM 98 C ASP A 10 0.007 24.018 3.105 1.00 0.00 C ATOM 99 O ASP A 10 -0.930 23.900 2.315 1.00 0.00 O ATOM 100 CB ASP A 10 -0.468 25.958 4.611 1.00 0.00 C ATOM 101 CG ASP A 10 -0.541 25.083 5.847 1.00 0.00 C ATOM 102 OD1 ASP A 10 -1.217 24.035 5.792 1.00 0.00 O ATOM 103 OD2 ASP A 10 0.077 25.447 6.869 1.00 0.00 O ATOM 0 H ASP A 10 -0.140 27.037 2.405 1.00 0.00 H new ATOM 0 HA ASP A 10 1.477 25.294 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.139 26.957 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.465 26.060 4.183 1.00 0.00 H new ATOM 108 N TRP A 11 0.659 22.979 3.613 1.00 0.00 N ATOM 109 CA TRP A 11 0.303 21.608 3.264 1.00 0.00 C ATOM 110 C TRP A 11 1.062 20.611 4.133 1.00 0.00 C ATOM 111 O TRP A 11 2.288 20.519 4.063 1.00 0.00 O ATOM 112 CB TRP A 11 0.597 21.343 1.787 1.00 0.00 C ATOM 113 CG TRP A 11 -0.287 20.294 1.184 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.169 19.486 1.845 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.373 19.937 -0.200 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.798 18.649 0.955 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.328 18.907 -0.306 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.261 20.389 -1.360 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.660 18.323 -1.526 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.069 19.808 -2.570 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.023 18.785 -2.645 1.00 0.00 C ATOM 0 H TRP A 11 1.437 23.059 4.268 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.764 21.479 3.443 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.480 22.272 1.228 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.637 21.036 1.680 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.346 19.503 2.910 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.501 17.949 1.194 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.996 21.179 -1.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.394 17.533 -1.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.417 20.148 -3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.260 18.352 -3.606 1.00 0.00 H new ATOM 132 N VAL A 12 0.327 19.864 4.950 1.00 0.00 N ATOM 133 CA VAL A 12 0.931 18.872 5.831 1.00 0.00 C ATOM 134 C VAL A 12 1.395 17.650 5.046 1.00 0.00 C ATOM 135 O VAL A 12 2.254 16.895 5.503 1.00 0.00 O ATOM 136 CB VAL A 12 -0.053 18.421 6.927 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.327 17.867 6.307 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.599 17.390 7.836 1.00 0.00 C ATOM 0 H VAL A 12 -0.689 19.927 5.020 1.00 0.00 H new ATOM 0 HA VAL A 12 1.792 19.348 6.300 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.319 19.288 7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.010 17.554 7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.802 18.639 5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.083 17.011 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.110 17.082 8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.896 16.522 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.479 17.826 8.308 1.00 0.00 H new ATOM 148 N LEU A 13 0.822 17.461 3.863 1.00 0.00 N ATOM 149 CA LEU A 13 1.178 16.331 3.012 1.00 0.00 C ATOM 150 C LEU A 13 2.687 16.259 2.804 1.00 0.00 C ATOM 151 O LEU A 13 3.341 15.277 3.155 1.00 0.00 O ATOM 152 CB LEU A 13 0.469 16.441 1.661 1.00 0.00 C ATOM 153 CG LEU A 13 1.235 15.895 0.455 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.410 14.389 0.572 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.517 16.252 -0.838 1.00 0.00 C ATOM 0 H LEU A 13 0.109 18.076 3.471 1.00 0.00 H new ATOM 0 HA LEU A 13 0.856 15.417 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.484 15.916 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.242 17.491 1.477 1.00 0.00 H new ATOM 0 HG LEU A 13 2.223 16.354 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.957 14.018 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.967 14.157 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.431 13.911 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.076 15.856 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.484 15.820 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.444 17.336 -0.926 1.00 0.00 H new ATOM 167 N PRO A 14 3.255 17.325 2.221 1.00 0.00 N ATOM 168 CA PRO A 14 4.694 17.409 1.955 1.00 0.00 C ATOM 169 C PRO A 14 5.513 17.549 3.234 1.00 0.00 C ATOM 170 O PRO A 14 6.731 17.375 3.225 1.00 0.00 O ATOM 171 CB PRO A 14 4.824 18.669 1.097 1.00 0.00 C ATOM 172 CG PRO A 14 3.643 19.500 1.463 1.00 0.00 C ATOM 173 CD PRO A 14 2.536 18.531 1.777 1.00 0.00 C ATOM 0 HA PRO A 14 5.072 16.508 1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.757 19.194 1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.823 18.426 0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.863 20.133 2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.362 20.161 0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.875 18.914 2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.917 18.331 0.902 1.00 0.00 H new ATOM 181 N SER A 15 4.835 17.864 4.334 1.00 0.00 N ATOM 182 CA SER A 15 5.501 18.031 5.620 1.00 0.00 C ATOM 183 C SER A 15 5.772 16.678 6.271 1.00 0.00 C ATOM 184 O SER A 15 6.827 16.465 6.868 1.00 0.00 O ATOM 185 CB SER A 15 4.648 18.895 6.551 1.00 0.00 C ATOM 186 OG SER A 15 4.587 20.234 6.091 1.00 0.00 O ATOM 0 H SER A 15 3.826 18.008 4.360 1.00 0.00 H new ATOM 0 HA SER A 15 6.455 18.529 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.641 18.483 6.614 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.065 18.872 7.558 1.00 0.00 H new ATOM 0 HG SER A 15 3.856 20.325 5.444 1.00 0.00 H new ATOM 192 N GLU A 16 4.812 15.766 6.150 1.00 0.00 N ATOM 193 CA GLU A 16 4.947 14.434 6.727 1.00 0.00 C ATOM 194 C GLU A 16 5.933 13.591 5.924 1.00 0.00 C ATOM 195 O GLU A 16 6.810 12.935 6.487 1.00 0.00 O ATOM 196 CB GLU A 16 3.586 13.736 6.779 1.00 0.00 C ATOM 197 CG GLU A 16 3.617 12.394 7.490 1.00 0.00 C ATOM 198 CD GLU A 16 3.682 12.535 8.999 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.323 13.493 9.479 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.092 11.686 9.699 1.00 0.00 O ATOM 0 H GLU A 16 3.933 15.926 5.658 1.00 0.00 H new ATOM 0 HA GLU A 16 5.330 14.542 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.872 14.388 7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.223 13.590 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.728 11.823 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.479 11.824 7.145 1.00 0.00 H new ATOM 207 N VAL A 17 5.783 13.612 4.603 1.00 0.00 N ATOM 208 CA VAL A 17 6.659 12.851 3.721 1.00 0.00 C ATOM 209 C VAL A 17 8.120 13.007 4.129 1.00 0.00 C ATOM 210 O VAL A 17 8.905 12.065 4.034 1.00 0.00 O ATOM 211 CB VAL A 17 6.498 13.290 2.254 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.436 12.500 1.353 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.053 13.129 1.805 1.00 0.00 C ATOM 0 H VAL A 17 5.062 14.148 4.120 1.00 0.00 H new ATOM 0 HA VAL A 17 6.368 11.804 3.813 1.00 0.00 H new ATOM 0 HB VAL A 17 6.763 14.345 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.308 12.824 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.467 12.672 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.206 11.437 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.958 13.444 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.758 12.084 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.407 13.744 2.431 1.00 0.00 H new ATOM 223 N GLU A 18 8.476 14.204 4.585 1.00 0.00 N ATOM 224 CA GLU A 18 9.844 14.484 5.007 1.00 0.00 C ATOM 225 C GLU A 18 10.274 13.534 6.121 1.00 0.00 C ATOM 226 O GLU A 18 11.339 12.920 6.053 1.00 0.00 O ATOM 227 CB GLU A 18 9.969 15.933 5.481 1.00 0.00 C ATOM 228 CG GLU A 18 9.779 16.955 4.373 1.00 0.00 C ATOM 229 CD GLU A 18 10.744 16.752 3.221 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.969 16.784 3.462 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.275 16.561 2.080 1.00 0.00 O ATOM 0 H GLU A 18 7.837 14.994 4.672 1.00 0.00 H new ATOM 0 HA GLU A 18 10.500 14.332 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.231 16.116 6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.952 16.076 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.756 16.896 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.912 17.957 4.781 1.00 0.00 H new ATOM 238 N VAL A 19 9.437 13.418 7.148 1.00 0.00 N ATOM 239 CA VAL A 19 9.729 12.543 8.277 1.00 0.00 C ATOM 240 C VAL A 19 9.573 11.077 7.891 1.00 0.00 C ATOM 241 O VAL A 19 10.155 10.192 8.521 1.00 0.00 O ATOM 242 CB VAL A 19 8.811 12.848 9.476 1.00 0.00 C ATOM 243 CG1 VAL A 19 7.352 12.645 9.095 1.00 0.00 C ATOM 244 CG2 VAL A 19 9.185 11.980 10.667 1.00 0.00 C ATOM 0 H VAL A 19 8.552 13.919 7.221 1.00 0.00 H new ATOM 0 HA VAL A 19 10.763 12.732 8.564 1.00 0.00 H new ATOM 0 HB VAL A 19 8.946 13.892 9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.718 12.865 9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.094 13.313 8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.197 11.612 8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.526 12.209 11.505 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.079 10.929 10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.218 12.179 10.952 1.00 0.00 H new ATOM 254 N LEU A 20 8.785 10.825 6.852 1.00 0.00 N ATOM 255 CA LEU A 20 8.551 9.465 6.380 1.00 0.00 C ATOM 256 C LEU A 20 9.766 8.934 5.626 1.00 0.00 C ATOM 257 O LEU A 20 10.329 7.901 5.986 1.00 0.00 O ATOM 258 CB LEU A 20 7.318 9.422 5.477 1.00 0.00 C ATOM 259 CG LEU A 20 5.980 9.729 6.152 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.886 9.910 5.111 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.611 8.624 7.130 1.00 0.00 C ATOM 0 H LEU A 20 8.297 11.545 6.320 1.00 0.00 H new ATOM 0 HA LEU A 20 8.379 8.830 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.463 10.133 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.256 8.431 5.027 1.00 0.00 H new ATOM 0 HG LEU A 20 6.081 10.661 6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.942 10.128 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.146 10.737 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.785 8.996 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.656 8.859 7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.529 7.678 6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.383 8.543 7.895 1.00 0.00 H new ATOM 273 N GLU A 21 10.167 9.650 4.580 1.00 0.00 N ATOM 274 CA GLU A 21 11.316 9.251 3.777 1.00 0.00 C ATOM 275 C GLU A 21 12.454 8.755 4.664 1.00 0.00 C ATOM 276 O GLU A 21 13.053 7.713 4.398 1.00 0.00 O ATOM 277 CB GLU A 21 11.798 10.423 2.918 1.00 0.00 C ATOM 278 CG GLU A 21 10.965 10.644 1.667 1.00 0.00 C ATOM 279 CD GLU A 21 11.614 11.612 0.698 1.00 0.00 C ATOM 280 OE1 GLU A 21 12.762 11.351 0.280 1.00 0.00 O ATOM 281 OE2 GLU A 21 10.976 12.630 0.357 1.00 0.00 O ATOM 0 H GLU A 21 9.713 10.509 4.269 1.00 0.00 H new ATOM 0 HA GLU A 21 11.005 8.435 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.784 11.332 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.834 10.248 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.805 9.688 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.983 11.023 1.951 1.00 0.00 H new ATOM 288 N SER A 22 12.746 9.509 5.719 1.00 0.00 N ATOM 289 CA SER A 22 13.815 9.149 6.644 1.00 0.00 C ATOM 290 C SER A 22 13.680 7.696 7.090 1.00 0.00 C ATOM 291 O SER A 22 14.675 6.986 7.237 1.00 0.00 O ATOM 292 CB SER A 22 13.796 10.073 7.863 1.00 0.00 C ATOM 293 OG SER A 22 15.009 9.983 8.590 1.00 0.00 O ATOM 0 H SER A 22 12.258 10.373 5.955 1.00 0.00 H new ATOM 0 HA SER A 22 14.766 9.265 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.637 11.102 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.960 9.809 8.510 1.00 0.00 H new ATOM 0 HG SER A 22 14.972 10.584 9.363 1.00 0.00 H new ATOM 299 N ILE A 23 12.442 7.262 7.305 1.00 0.00 N ATOM 300 CA ILE A 23 12.177 5.895 7.734 1.00 0.00 C ATOM 301 C ILE A 23 12.060 4.956 6.537 1.00 0.00 C ATOM 302 O ILE A 23 12.751 3.939 6.463 1.00 0.00 O ATOM 303 CB ILE A 23 10.885 5.807 8.568 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.017 6.644 9.842 1.00 0.00 C ATOM 305 CG2 ILE A 23 10.573 4.358 8.910 1.00 0.00 C ATOM 306 CD1 ILE A 23 9.689 6.990 10.478 1.00 0.00 C ATOM 0 H ILE A 23 11.608 7.837 7.189 1.00 0.00 H new ATOM 0 HA ILE A 23 13.021 5.589 8.352 1.00 0.00 H new ATOM 0 HB ILE A 23 10.061 6.206 7.977 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.625 6.099 10.564 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.550 7.566 9.608 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.657 4.312 9.499 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.442 3.787 7.991 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.396 3.935 9.485 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.859 7.584 11.376 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.086 7.563 9.773 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.163 6.073 10.744 1.00 0.00 H new ATOM 318 N TYR A 24 11.184 5.305 5.602 1.00 0.00 N ATOM 319 CA TYR A 24 10.976 4.494 4.408 1.00 0.00 C ATOM 320 C TYR A 24 11.754 5.059 3.224 1.00 0.00 C ATOM 321 O TYR A 24 11.225 5.176 2.117 1.00 0.00 O ATOM 322 CB TYR A 24 9.487 4.423 4.067 1.00 0.00 C ATOM 323 CG TYR A 24 8.596 4.253 5.277 1.00 0.00 C ATOM 324 CD1 TYR A 24 8.786 3.199 6.162 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.564 5.147 5.536 1.00 0.00 C ATOM 326 CE1 TYR A 24 7.974 3.039 7.268 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.748 4.996 6.640 1.00 0.00 C ATOM 328 CZ TYR A 24 6.957 3.940 7.503 1.00 0.00 C ATOM 329 OH TYR A 24 6.147 3.786 8.605 1.00 0.00 O ATOM 0 H TYR A 24 10.606 6.144 5.648 1.00 0.00 H new ATOM 0 HA TYR A 24 11.343 3.488 4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.200 5.333 3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.319 3.591 3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.583 2.492 5.982 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.397 5.974 4.862 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.135 2.213 7.945 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.951 5.700 6.827 1.00 0.00 H new ATOM 0 HH TYR A 24 6.132 4.620 9.119 1.00 0.00 H new ATOM 339 N LEU A 25 13.014 5.406 3.463 1.00 0.00 N ATOM 340 CA LEU A 25 13.867 5.958 2.417 1.00 0.00 C ATOM 341 C LEU A 25 13.561 5.315 1.068 1.00 0.00 C ATOM 342 O LEU A 25 13.133 5.989 0.131 1.00 0.00 O ATOM 343 CB LEU A 25 15.341 5.750 2.771 1.00 0.00 C ATOM 344 CG LEU A 25 15.883 6.605 3.918 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.223 6.068 4.396 1.00 0.00 C ATOM 346 CD2 LEU A 25 16.011 8.058 3.485 1.00 0.00 C ATOM 0 H LEU A 25 13.467 5.315 4.372 1.00 0.00 H new ATOM 0 HA LEU A 25 13.664 7.026 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.488 4.700 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.939 5.949 1.882 1.00 0.00 H new ATOM 0 HG LEU A 25 15.178 6.555 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.593 6.688 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.100 5.043 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.937 6.087 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.398 8.652 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.695 8.127 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.032 8.438 3.192 1.00 0.00 H new ATOM 358 N ASP A 26 13.781 4.008 0.979 1.00 0.00 N ATOM 359 CA ASP A 26 13.525 3.272 -0.254 1.00 0.00 C ATOM 360 C ASP A 26 12.146 2.622 -0.223 1.00 0.00 C ATOM 361 O ASP A 26 11.361 2.765 -1.160 1.00 0.00 O ATOM 362 CB ASP A 26 14.601 2.206 -0.470 1.00 0.00 C ATOM 363 CG ASP A 26 14.609 1.162 0.629 1.00 0.00 C ATOM 364 OD1 ASP A 26 15.186 1.434 1.703 1.00 0.00 O ATOM 365 OD2 ASP A 26 14.036 0.073 0.416 1.00 0.00 O ATOM 0 H ASP A 26 14.136 3.436 1.746 1.00 0.00 H new ATOM 0 HA ASP A 26 13.554 3.979 -1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.437 1.717 -1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.579 2.685 -0.519 1.00 0.00 H new ATOM 370 N GLU A 27 11.859 1.907 0.860 1.00 0.00 N ATOM 371 CA GLU A 27 10.574 1.233 1.012 1.00 0.00 C ATOM 372 C GLU A 27 9.439 2.097 0.471 1.00 0.00 C ATOM 373 O GLU A 27 8.514 1.597 -0.171 1.00 0.00 O ATOM 374 CB GLU A 27 10.319 0.899 2.483 1.00 0.00 C ATOM 375 CG GLU A 27 11.380 0.001 3.096 1.00 0.00 C ATOM 376 CD GLU A 27 11.148 -1.467 2.794 1.00 0.00 C ATOM 377 OE1 GLU A 27 11.495 -1.904 1.677 1.00 0.00 O ATOM 378 OE2 GLU A 27 10.619 -2.178 3.674 1.00 0.00 O ATOM 0 H GLU A 27 12.498 1.779 1.645 1.00 0.00 H new ATOM 0 HA GLU A 27 10.608 0.307 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.266 1.826 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.347 0.413 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.360 0.295 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.395 0.148 4.176 1.00 0.00 H new ATOM 385 N LEU A 28 9.516 3.397 0.734 1.00 0.00 N ATOM 386 CA LEU A 28 8.496 4.332 0.275 1.00 0.00 C ATOM 387 C LEU A 28 9.015 5.180 -0.882 1.00 0.00 C ATOM 388 O LEU A 28 10.205 5.486 -0.954 1.00 0.00 O ATOM 389 CB LEU A 28 8.050 5.237 1.425 1.00 0.00 C ATOM 390 CG LEU A 28 6.808 6.091 1.165 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.548 5.333 1.553 1.00 0.00 C ATOM 392 CD2 LEU A 28 6.897 7.406 1.925 1.00 0.00 C ATOM 0 H LEU A 28 10.275 3.827 1.263 1.00 0.00 H new ATOM 0 HA LEU A 28 7.641 3.754 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.861 4.614 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.876 5.901 1.680 1.00 0.00 H new ATOM 0 HG LEU A 28 6.760 6.313 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.675 5.956 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.478 4.419 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.587 5.080 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.005 8.001 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.970 7.204 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.779 7.956 1.598 1.00 0.00 H new ATOM 404 N GLN A 29 8.114 5.557 -1.784 1.00 0.00 N ATOM 405 CA GLN A 29 8.482 6.371 -2.936 1.00 0.00 C ATOM 406 C GLN A 29 7.583 7.598 -3.046 1.00 0.00 C ATOM 407 O GLN A 29 6.393 7.539 -2.735 1.00 0.00 O ATOM 408 CB GLN A 29 8.395 5.544 -4.220 1.00 0.00 C ATOM 409 CG GLN A 29 8.635 6.355 -5.484 1.00 0.00 C ATOM 410 CD GLN A 29 10.107 6.604 -5.747 1.00 0.00 C ATOM 411 OE1 GLN A 29 10.772 7.316 -4.993 1.00 0.00 O ATOM 412 NE2 GLN A 29 10.624 6.018 -6.820 1.00 0.00 N ATOM 0 H GLN A 29 7.125 5.312 -1.739 1.00 0.00 H new ATOM 0 HA GLN A 29 9.509 6.708 -2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.126 4.736 -4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.410 5.080 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.201 5.830 -6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.118 7.311 -5.401 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.036 5.436 -7.417 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.610 6.149 -7.048 1.00 0.00 H new ATOM 421 N VAL A 30 8.160 8.711 -3.489 1.00 0.00 N ATOM 422 CA VAL A 30 7.410 9.952 -3.640 1.00 0.00 C ATOM 423 C VAL A 30 7.702 10.610 -4.984 1.00 0.00 C ATOM 424 O VAL A 30 8.831 10.569 -5.474 1.00 0.00 O ATOM 425 CB VAL A 30 7.739 10.948 -2.512 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.984 12.252 -2.713 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.417 10.339 -1.155 1.00 0.00 C ATOM 0 H VAL A 30 9.144 8.778 -3.749 1.00 0.00 H new ATOM 0 HA VAL A 30 6.353 9.691 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 30 8.806 11.167 -2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.229 12.943 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.269 12.694 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.912 12.056 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.655 11.056 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.357 10.090 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.008 9.434 -1.013 1.00 0.00 H new ATOM 437 N ILE A 31 6.678 11.217 -5.574 1.00 0.00 N ATOM 438 CA ILE A 31 6.826 11.886 -6.861 1.00 0.00 C ATOM 439 C ILE A 31 6.649 13.394 -6.721 1.00 0.00 C ATOM 440 O ILE A 31 5.529 13.905 -6.747 1.00 0.00 O ATOM 441 CB ILE A 31 5.810 11.355 -7.891 1.00 0.00 C ATOM 442 CG1 ILE A 31 5.953 9.840 -8.046 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.002 12.051 -9.230 1.00 0.00 C ATOM 444 CD1 ILE A 31 7.384 9.383 -8.224 1.00 0.00 C ATOM 0 H ILE A 31 5.737 11.259 -5.182 1.00 0.00 H new ATOM 0 HA ILE A 31 7.835 11.672 -7.213 1.00 0.00 H new ATOM 0 HB ILE A 31 4.804 11.571 -7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.531 9.352 -7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.366 9.514 -8.905 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.278 11.666 -9.948 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.855 13.124 -9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.011 11.863 -9.597 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.409 8.298 -8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.804 9.843 -9.118 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.971 9.678 -7.354 1.00 0.00 H new ATOM 456 N LYS A 32 7.763 14.103 -6.573 1.00 0.00 N ATOM 457 CA LYS A 32 7.734 15.554 -6.431 1.00 0.00 C ATOM 458 C LYS A 32 6.866 16.189 -7.513 1.00 0.00 C ATOM 459 O LYS A 32 7.213 16.168 -8.693 1.00 0.00 O ATOM 460 CB LYS A 32 9.153 16.123 -6.502 1.00 0.00 C ATOM 461 CG LYS A 32 10.029 15.718 -5.330 1.00 0.00 C ATOM 462 CD LYS A 32 9.509 16.290 -4.021 1.00 0.00 C ATOM 463 CE LYS A 32 10.367 15.856 -2.843 1.00 0.00 C ATOM 464 NZ LYS A 32 10.304 14.384 -2.624 1.00 0.00 N ATOM 0 H LYS A 32 8.698 13.696 -6.548 1.00 0.00 H new ATOM 0 HA LYS A 32 7.303 15.790 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.623 15.791 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.098 17.211 -6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.069 14.631 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.049 16.064 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.493 17.378 -4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.481 15.964 -3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.401 16.153 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.035 16.372 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.714 14.153 -1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.313 14.071 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.841 13.899 -3.371 1.00 0.00 H new ATOM 478 N GLY A 33 5.735 16.754 -7.102 1.00 0.00 N ATOM 479 CA GLY A 33 4.836 17.388 -8.049 1.00 0.00 C ATOM 480 C GLY A 33 5.305 18.771 -8.457 1.00 0.00 C ATOM 481 O GLY A 33 5.074 19.747 -7.745 1.00 0.00 O ATOM 0 H GLY A 33 5.425 16.784 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.747 16.761 -8.936 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.841 17.460 -7.609 1.00 0.00 H new ATOM 485 N ASN A 34 5.966 18.854 -9.607 1.00 0.00 N ATOM 486 CA ASN A 34 6.471 20.127 -10.108 1.00 0.00 C ATOM 487 C ASN A 34 5.377 21.190 -10.092 1.00 0.00 C ATOM 488 O ASN A 34 5.580 22.297 -9.596 1.00 0.00 O ATOM 489 CB ASN A 34 7.016 19.960 -11.528 1.00 0.00 C ATOM 490 CG ASN A 34 8.132 20.939 -11.838 1.00 0.00 C ATOM 491 OD1 ASN A 34 9.224 20.851 -11.276 1.00 0.00 O ATOM 492 ND2 ASN A 34 7.861 21.879 -12.736 1.00 0.00 N ATOM 0 H ASN A 34 6.164 18.055 -10.209 1.00 0.00 H new ATOM 0 HA ASN A 34 7.279 20.453 -9.453 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.384 18.942 -11.656 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.206 20.098 -12.244 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.572 22.566 -12.985 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.942 21.914 -13.177 1.00 0.00 H new ATOM 499 N GLY A 35 4.216 20.844 -10.639 1.00 0.00 N ATOM 500 CA GLY A 35 3.106 21.779 -10.678 1.00 0.00 C ATOM 501 C GLY A 35 2.452 21.959 -9.322 1.00 0.00 C ATOM 502 O GLY A 35 2.986 21.518 -8.305 1.00 0.00 O ATOM 0 H GLY A 35 4.024 19.933 -11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.461 22.745 -11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.362 21.426 -11.393 1.00 0.00 H new ATOM 506 N ARG A 36 1.293 22.610 -9.308 1.00 0.00 N ATOM 507 CA ARG A 36 0.567 22.849 -8.066 1.00 0.00 C ATOM 508 C ARG A 36 -0.808 22.189 -8.105 1.00 0.00 C ATOM 509 O ARG A 36 -1.314 21.723 -7.083 1.00 0.00 O ATOM 510 CB ARG A 36 0.417 24.352 -7.820 1.00 0.00 C ATOM 511 CG ARG A 36 1.675 25.009 -7.277 1.00 0.00 C ATOM 512 CD ARG A 36 2.720 25.198 -8.367 1.00 0.00 C ATOM 513 NE ARG A 36 3.570 26.358 -8.115 1.00 0.00 N ATOM 514 CZ ARG A 36 3.165 27.613 -8.272 1.00 0.00 C ATOM 515 NH1 ARG A 36 1.929 27.869 -8.677 1.00 0.00 N ATOM 516 NH2 ARG A 36 3.998 28.616 -8.022 1.00 0.00 N ATOM 0 H ARG A 36 0.837 22.981 -10.142 1.00 0.00 H new ATOM 0 HA ARG A 36 1.139 22.409 -7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.138 24.838 -8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.401 24.517 -7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.423 25.976 -6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.090 24.397 -6.476 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.339 24.303 -8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.222 25.315 -9.330 1.00 0.00 H new ATOM 0 HE ARG A 36 4.527 26.196 -7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.286 27.101 -8.869 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.621 28.834 -8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.949 28.423 -7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.687 29.580 -8.143 1.00 0.00 H new ATOM 530 N THR A 37 -1.408 22.153 -9.290 1.00 0.00 N ATOM 531 CA THR A 37 -2.725 21.552 -9.462 1.00 0.00 C ATOM 532 C THR A 37 -2.613 20.069 -9.799 1.00 0.00 C ATOM 533 O THR A 37 -3.459 19.518 -10.503 1.00 0.00 O ATOM 534 CB THR A 37 -3.525 22.260 -10.571 1.00 0.00 C ATOM 535 OG1 THR A 37 -2.980 21.934 -11.854 1.00 0.00 O ATOM 536 CG2 THR A 37 -3.504 23.768 -10.374 1.00 0.00 C ATOM 0 H THR A 37 -1.003 22.533 -10.146 1.00 0.00 H new ATOM 0 HA THR A 37 -3.251 21.668 -8.515 1.00 0.00 H new ATOM 0 HB THR A 37 -4.558 21.916 -10.518 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.496 22.387 -12.553 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.075 24.247 -11.169 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.947 24.015 -9.409 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.474 24.124 -10.402 1.00 0.00 H new ATOM 544 N SER A 38 -1.564 19.430 -9.293 1.00 0.00 N ATOM 545 CA SER A 38 -1.340 18.011 -9.544 1.00 0.00 C ATOM 546 C SER A 38 -1.192 17.244 -8.233 1.00 0.00 C ATOM 547 O SER A 38 -0.427 17.622 -7.346 1.00 0.00 O ATOM 548 CB SER A 38 -0.091 17.814 -10.406 1.00 0.00 C ATOM 549 OG SER A 38 1.038 18.436 -9.817 1.00 0.00 O ATOM 0 H SER A 38 -0.856 19.872 -8.707 1.00 0.00 H new ATOM 0 HA SER A 38 -2.207 17.621 -10.078 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.102 16.749 -10.534 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.262 18.229 -11.399 1.00 0.00 H new ATOM 0 HG SER A 38 0.911 18.494 -8.847 1.00 0.00 H new ATOM 555 N PRO A 39 -1.942 16.139 -8.107 1.00 0.00 N ATOM 556 CA PRO A 39 -1.913 15.295 -6.909 1.00 0.00 C ATOM 557 C PRO A 39 -0.598 14.537 -6.766 1.00 0.00 C ATOM 558 O PRO A 39 0.009 14.136 -7.759 1.00 0.00 O ATOM 559 CB PRO A 39 -3.071 14.320 -7.134 1.00 0.00 C ATOM 560 CG PRO A 39 -3.234 14.261 -8.614 1.00 0.00 C ATOM 561 CD PRO A 39 -2.876 15.629 -9.125 1.00 0.00 C ATOM 0 HA PRO A 39 -2.003 15.882 -5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.847 13.337 -6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.983 14.669 -6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.585 13.500 -9.048 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.257 13.999 -8.884 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.411 15.581 -10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.756 16.266 -9.219 1.00 0.00 H new ATOM 569 N TRP A 40 -0.164 14.343 -5.526 1.00 0.00 N ATOM 570 CA TRP A 40 1.080 13.632 -5.254 1.00 0.00 C ATOM 571 C TRP A 40 0.889 12.126 -5.399 1.00 0.00 C ATOM 572 O TRP A 40 -0.216 11.614 -5.230 1.00 0.00 O ATOM 573 CB TRP A 40 1.583 13.962 -3.848 1.00 0.00 C ATOM 574 CG TRP A 40 2.172 15.335 -3.734 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.700 16.480 -4.310 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.345 15.707 -3.002 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.508 17.541 -3.979 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.524 17.093 -3.177 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.260 15.004 -2.213 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.581 17.786 -2.593 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.309 15.693 -1.635 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.462 17.073 -1.826 1.00 0.00 C ATOM 0 H TRP A 40 -0.655 14.668 -4.693 1.00 0.00 H new ATOM 0 HA TRP A 40 1.822 13.957 -5.983 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.756 13.870 -3.143 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.334 13.227 -3.557 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.821 16.542 -4.934 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.373 18.506 -4.281 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.149 13.941 -2.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.701 18.849 -2.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.023 15.159 -1.026 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.291 17.584 -1.359 1.00 0.00 H new ATOM 593 N GLU A 41 1.973 11.424 -5.713 1.00 0.00 N ATOM 594 CA GLU A 41 1.923 9.977 -5.882 1.00 0.00 C ATOM 595 C GLU A 41 2.912 9.286 -4.948 1.00 0.00 C ATOM 596 O GLU A 41 4.042 9.744 -4.775 1.00 0.00 O ATOM 597 CB GLU A 41 2.225 9.599 -7.333 1.00 0.00 C ATOM 598 CG GLU A 41 1.533 8.324 -7.787 1.00 0.00 C ATOM 599 CD GLU A 41 0.034 8.497 -7.938 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.397 9.072 -8.959 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.707 8.055 -7.036 1.00 0.00 O ATOM 0 H GLU A 41 2.896 11.834 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 41 0.917 9.642 -5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.921 10.419 -7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.302 9.480 -7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.956 8.005 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.733 7.530 -7.067 1.00 0.00 H new ATOM 608 N ILE A 42 2.479 8.182 -4.348 1.00 0.00 N ATOM 609 CA ILE A 42 3.326 7.427 -3.433 1.00 0.00 C ATOM 610 C ILE A 42 3.176 5.926 -3.656 1.00 0.00 C ATOM 611 O ILE A 42 2.063 5.415 -3.781 1.00 0.00 O ATOM 612 CB ILE A 42 2.997 7.752 -1.964 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.262 9.231 -1.674 1.00 0.00 C ATOM 614 CG2 ILE A 42 3.812 6.870 -1.031 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.434 9.781 -0.534 1.00 0.00 C ATOM 0 H ILE A 42 1.546 7.791 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 42 4.355 7.721 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 42 1.940 7.551 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.319 9.364 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.058 9.812 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.568 7.112 0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.578 5.823 -1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.874 7.042 -1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.674 10.834 -0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.375 9.680 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.655 9.226 0.377 1.00 0.00 H new ATOM 627 N TYR A 43 4.304 5.226 -3.703 1.00 0.00 N ATOM 628 CA TYR A 43 4.298 3.782 -3.911 1.00 0.00 C ATOM 629 C TYR A 43 4.989 3.063 -2.757 1.00 0.00 C ATOM 630 O TYR A 43 5.769 3.662 -2.015 1.00 0.00 O ATOM 631 CB TYR A 43 4.989 3.434 -5.230 1.00 0.00 C ATOM 632 CG TYR A 43 4.692 4.411 -6.346 1.00 0.00 C ATOM 633 CD1 TYR A 43 5.413 5.592 -6.471 1.00 0.00 C ATOM 634 CD2 TYR A 43 3.692 4.152 -7.275 1.00 0.00 C ATOM 635 CE1 TYR A 43 5.145 6.487 -7.489 1.00 0.00 C ATOM 636 CE2 TYR A 43 3.418 5.041 -8.296 1.00 0.00 C ATOM 637 CZ TYR A 43 4.146 6.207 -8.398 1.00 0.00 C ATOM 638 OH TYR A 43 3.877 7.096 -9.413 1.00 0.00 O ATOM 0 H TYR A 43 5.233 5.634 -3.600 1.00 0.00 H new ATOM 0 HA TYR A 43 3.261 3.450 -3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.066 3.398 -5.068 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.680 2.436 -5.540 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.196 5.814 -5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.119 3.240 -7.198 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.715 7.401 -7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.638 4.824 -9.010 1.00 0.00 H new ATOM 0 HH TYR A 43 3.146 6.749 -9.966 1.00 0.00 H new ATOM 648 N ILE A 44 4.697 1.775 -2.612 1.00 0.00 N ATOM 649 CA ILE A 44 5.291 0.972 -1.550 1.00 0.00 C ATOM 650 C ILE A 44 5.027 -0.513 -1.770 1.00 0.00 C ATOM 651 O ILE A 44 4.031 -0.894 -2.386 1.00 0.00 O ATOM 652 CB ILE A 44 4.748 1.379 -0.167 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.598 0.755 0.942 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.293 0.959 -0.025 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.583 1.545 2.232 1.00 0.00 C ATOM 0 H ILE A 44 4.053 1.265 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 44 6.365 1.155 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 44 4.804 2.464 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.238 -0.255 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.627 0.664 0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.924 1.253 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.697 1.445 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.214 -0.123 -0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.206 1.044 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.971 2.547 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.561 1.614 2.605 1.00 0.00 H new ATOM 667 N THR A 45 5.926 -1.351 -1.261 1.00 0.00 N ATOM 668 CA THR A 45 5.791 -2.795 -1.402 1.00 0.00 C ATOM 669 C THR A 45 5.570 -3.461 -0.049 1.00 0.00 C ATOM 670 O THR A 45 6.394 -3.334 0.859 1.00 0.00 O ATOM 671 CB THR A 45 7.034 -3.413 -2.069 1.00 0.00 C ATOM 672 OG1 THR A 45 7.271 -2.790 -3.336 1.00 0.00 O ATOM 673 CG2 THR A 45 6.857 -4.912 -2.260 1.00 0.00 C ATOM 0 H THR A 45 6.755 -1.053 -0.747 1.00 0.00 H new ATOM 0 HA THR A 45 4.922 -2.971 -2.037 1.00 0.00 H new ATOM 0 HB THR A 45 7.891 -3.245 -1.416 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.064 -3.187 -3.753 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.748 -5.326 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.707 -5.387 -1.291 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.990 -5.098 -2.894 1.00 0.00 H new ATOM 681 N LEU A 46 4.455 -4.170 0.081 1.00 0.00 N ATOM 682 CA LEU A 46 4.126 -4.858 1.326 1.00 0.00 C ATOM 683 C LEU A 46 4.204 -6.371 1.148 1.00 0.00 C ATOM 684 O LEU A 46 4.239 -6.874 0.025 1.00 0.00 O ATOM 685 CB LEU A 46 2.727 -4.459 1.797 1.00 0.00 C ATOM 686 CG LEU A 46 2.652 -3.245 2.723 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.198 -2.008 2.028 1.00 0.00 C ATOM 688 CD2 LEU A 46 1.219 -3.012 3.182 1.00 0.00 C ATOM 0 H LEU A 46 3.763 -4.284 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 46 4.854 -4.562 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.113 -4.260 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.282 -5.311 2.311 1.00 0.00 H new ATOM 0 HG LEU A 46 3.267 -3.444 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.136 -1.154 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.238 -2.176 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.611 -1.805 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.184 -2.144 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.583 -2.835 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.862 -3.890 3.720 1.00 0.00 H new ATOM 700 N HIS A 47 4.228 -7.092 2.265 1.00 0.00 N ATOM 701 CA HIS A 47 4.299 -8.548 2.233 1.00 0.00 C ATOM 702 C HIS A 47 4.043 -9.135 3.618 1.00 0.00 C ATOM 703 O HIS A 47 4.539 -8.639 4.630 1.00 0.00 O ATOM 704 CB HIS A 47 5.664 -9.003 1.718 1.00 0.00 C ATOM 705 CG HIS A 47 6.815 -8.433 2.489 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.732 -9.214 3.160 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.196 -7.150 2.691 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.627 -8.436 3.743 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.324 -7.179 3.474 1.00 0.00 N ATOM 0 H HIS A 47 4.199 -6.692 3.203 1.00 0.00 H new ATOM 0 HA HIS A 47 3.525 -8.909 1.556 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.714 -10.091 1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.762 -8.717 0.671 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.705 -6.268 2.308 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.464 -8.771 4.338 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.843 -6.362 3.796 1.00 0.00 H new ATOM 718 N PRO A 48 3.250 -10.216 3.667 1.00 0.00 N ATOM 719 CA PRO A 48 2.910 -10.893 4.922 1.00 0.00 C ATOM 720 C PRO A 48 4.105 -11.621 5.529 1.00 0.00 C ATOM 721 O PRO A 48 4.658 -12.538 4.924 1.00 0.00 O ATOM 722 CB PRO A 48 1.830 -11.894 4.504 1.00 0.00 C ATOM 723 CG PRO A 48 2.089 -12.149 3.059 1.00 0.00 C ATOM 724 CD PRO A 48 2.624 -10.860 2.500 1.00 0.00 C ATOM 0 HA PRO A 48 2.585 -10.191 5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.895 -12.813 5.086 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.831 -11.487 4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.807 -12.959 2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.175 -12.447 2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.346 -11.037 1.703 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.829 -10.244 2.079 1.00 0.00 H new ATOM 732 N ALA A 49 4.496 -11.206 6.730 1.00 0.00 N ATOM 733 CA ALA A 49 5.623 -11.820 7.420 1.00 0.00 C ATOM 734 C ALA A 49 5.159 -12.955 8.327 1.00 0.00 C ATOM 735 O ALA A 49 5.500 -12.999 9.509 1.00 0.00 O ATOM 736 CB ALA A 49 6.382 -10.776 8.225 1.00 0.00 C ATOM 0 H ALA A 49 4.049 -10.447 7.245 1.00 0.00 H new ATOM 0 HA ALA A 49 6.292 -12.240 6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.221 -11.249 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.755 -10.001 7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.715 -10.329 8.962 1.00 0.00 H new ATOM 742 N THR A 50 4.379 -13.874 7.765 1.00 0.00 N ATOM 743 CA THR A 50 3.866 -15.008 8.523 1.00 0.00 C ATOM 744 C THR A 50 4.247 -16.328 7.862 1.00 0.00 C ATOM 745 O THR A 50 4.638 -17.280 8.536 1.00 0.00 O ATOM 746 CB THR A 50 2.334 -14.942 8.667 1.00 0.00 C ATOM 747 OG1 THR A 50 1.879 -15.980 9.541 1.00 0.00 O ATOM 748 CG2 THR A 50 1.657 -15.079 7.312 1.00 0.00 C ATOM 0 H THR A 50 4.089 -13.855 6.787 1.00 0.00 H new ATOM 0 HA THR A 50 4.318 -14.956 9.513 1.00 0.00 H new ATOM 0 HB THR A 50 2.072 -13.972 9.089 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.904 -15.930 9.628 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.576 -15.029 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.983 -14.270 6.659 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.926 -16.036 6.866 1.00 0.00 H new ATOM 756 N ALA A 51 4.129 -16.377 6.539 1.00 0.00 N ATOM 757 CA ALA A 51 4.464 -17.580 5.787 1.00 0.00 C ATOM 758 C ALA A 51 5.964 -17.665 5.526 1.00 0.00 C ATOM 759 O ALA A 51 6.498 -16.946 4.682 1.00 0.00 O ATOM 760 CB ALA A 51 3.695 -17.612 4.474 1.00 0.00 C ATOM 0 H ALA A 51 3.804 -15.598 5.966 1.00 0.00 H new ATOM 0 HA ALA A 51 4.177 -18.445 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.955 -18.516 3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.624 -17.607 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.955 -16.736 3.879 1.00 0.00 H new ATOM 766 N GLU A 52 6.638 -18.548 6.256 1.00 0.00 N ATOM 767 CA GLU A 52 8.077 -18.725 6.104 1.00 0.00 C ATOM 768 C GLU A 52 8.423 -20.192 5.867 1.00 0.00 C ATOM 769 O GLU A 52 9.255 -20.516 5.019 1.00 0.00 O ATOM 770 CB GLU A 52 8.811 -18.210 7.344 1.00 0.00 C ATOM 771 CG GLU A 52 8.902 -16.695 7.412 1.00 0.00 C ATOM 772 CD GLU A 52 10.026 -16.139 6.560 1.00 0.00 C ATOM 773 OE1 GLU A 52 11.030 -16.855 6.360 1.00 0.00 O ATOM 774 OE2 GLU A 52 9.903 -14.988 6.093 1.00 0.00 O ATOM 0 H GLU A 52 6.211 -19.152 6.958 1.00 0.00 H new ATOM 0 HA GLU A 52 8.398 -18.149 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.301 -18.575 8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.818 -18.627 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.956 -16.263 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.051 -16.390 8.448 1.00 0.00 H new ATOM 781 N ASP A 53 7.779 -21.075 6.623 1.00 0.00 N ATOM 782 CA ASP A 53 8.017 -22.508 6.496 1.00 0.00 C ATOM 783 C ASP A 53 7.727 -22.984 5.076 1.00 0.00 C ATOM 784 O ASP A 53 8.567 -23.619 4.440 1.00 0.00 O ATOM 785 CB ASP A 53 7.153 -23.281 7.493 1.00 0.00 C ATOM 786 CG ASP A 53 7.765 -23.323 8.879 1.00 0.00 C ATOM 787 OD1 ASP A 53 8.978 -23.599 8.983 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.031 -23.081 9.861 1.00 0.00 O ATOM 0 H ASP A 53 7.088 -20.823 7.330 1.00 0.00 H new ATOM 0 HA ASP A 53 9.068 -22.697 6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.167 -22.820 7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.009 -24.299 7.132 1.00 0.00 H new ATOM 793 N GLN A 54 6.531 -22.673 4.587 1.00 0.00 N ATOM 794 CA GLN A 54 6.129 -23.071 3.243 1.00 0.00 C ATOM 795 C GLN A 54 6.792 -22.186 2.192 1.00 0.00 C ATOM 796 O GLN A 54 6.594 -20.971 2.174 1.00 0.00 O ATOM 797 CB GLN A 54 4.608 -22.999 3.100 1.00 0.00 C ATOM 798 CG GLN A 54 4.074 -23.749 1.890 1.00 0.00 C ATOM 799 CD GLN A 54 2.671 -24.282 2.106 1.00 0.00 C ATOM 800 OE1 GLN A 54 2.170 -24.305 3.230 1.00 0.00 O ATOM 801 NE2 GLN A 54 2.029 -24.713 1.027 1.00 0.00 N ATOM 0 H GLN A 54 5.824 -22.147 5.101 1.00 0.00 H new ATOM 0 HA GLN A 54 6.454 -24.099 3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.147 -23.405 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.307 -21.954 3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.077 -23.085 1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.742 -24.578 1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.483 -24.675 0.114 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.082 -25.082 1.111 1.00 0.00 H new ATOM 810 N ASP A 55 7.581 -22.803 1.319 1.00 0.00 N ATOM 811 CA ASP A 55 8.274 -22.072 0.264 1.00 0.00 C ATOM 812 C ASP A 55 7.279 -21.464 -0.719 1.00 0.00 C ATOM 813 O ASP A 55 7.103 -20.247 -0.767 1.00 0.00 O ATOM 814 CB ASP A 55 9.241 -22.997 -0.476 1.00 0.00 C ATOM 815 CG ASP A 55 10.294 -22.231 -1.252 1.00 0.00 C ATOM 816 OD1 ASP A 55 9.923 -21.298 -1.996 1.00 0.00 O ATOM 817 OD2 ASP A 55 11.490 -22.564 -1.116 1.00 0.00 O ATOM 0 H ASP A 55 7.757 -23.808 1.321 1.00 0.00 H new ATOM 0 HA ASP A 55 8.840 -21.264 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.730 -23.656 0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.679 -23.632 -1.161 1.00 0.00 H new ATOM 822 N SER A 56 6.630 -22.320 -1.502 1.00 0.00 N ATOM 823 CA SER A 56 5.656 -21.867 -2.489 1.00 0.00 C ATOM 824 C SER A 56 4.888 -20.653 -1.975 1.00 0.00 C ATOM 825 O SER A 56 4.652 -19.698 -2.714 1.00 0.00 O ATOM 826 CB SER A 56 4.681 -22.996 -2.829 1.00 0.00 C ATOM 827 OG SER A 56 5.373 -24.155 -3.259 1.00 0.00 O ATOM 0 H SER A 56 6.761 -23.331 -1.472 1.00 0.00 H new ATOM 0 HA SER A 56 6.195 -21.579 -3.391 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.076 -23.234 -1.954 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.996 -22.666 -3.611 1.00 0.00 H new ATOM 0 HG SER A 56 4.728 -24.862 -3.469 1.00 0.00 H new ATOM 833 N GLN A 57 4.500 -20.700 -0.705 1.00 0.00 N ATOM 834 CA GLN A 57 3.757 -19.605 -0.092 1.00 0.00 C ATOM 835 C GLN A 57 4.458 -18.272 -0.331 1.00 0.00 C ATOM 836 O GLN A 57 5.464 -17.965 0.308 1.00 0.00 O ATOM 837 CB GLN A 57 3.596 -19.848 1.410 1.00 0.00 C ATOM 838 CG GLN A 57 2.336 -20.620 1.769 1.00 0.00 C ATOM 839 CD GLN A 57 1.074 -19.805 1.566 1.00 0.00 C ATOM 840 OE1 GLN A 57 0.768 -19.382 0.451 1.00 0.00 O ATOM 841 NE2 GLN A 57 0.334 -19.580 2.645 1.00 0.00 N ATOM 0 H GLN A 57 4.688 -21.484 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 57 2.771 -19.564 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.464 -20.395 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.583 -18.888 1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.282 -21.523 1.161 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.394 -20.939 2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.626 -19.950 3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.526 -19.037 2.569 1.00 0.00 H new ATOM 850 N TYR A 58 3.919 -17.484 -1.255 1.00 0.00 N ATOM 851 CA TYR A 58 4.494 -16.184 -1.581 1.00 0.00 C ATOM 852 C TYR A 58 3.420 -15.223 -2.080 1.00 0.00 C ATOM 853 O TYR A 58 2.528 -15.608 -2.836 1.00 0.00 O ATOM 854 CB TYR A 58 5.589 -16.338 -2.638 1.00 0.00 C ATOM 855 CG TYR A 58 6.019 -15.028 -3.259 1.00 0.00 C ATOM 856 CD1 TYR A 58 5.145 -14.290 -4.049 1.00 0.00 C ATOM 857 CD2 TYR A 58 7.299 -14.527 -3.056 1.00 0.00 C ATOM 858 CE1 TYR A 58 5.534 -13.094 -4.618 1.00 0.00 C ATOM 859 CE2 TYR A 58 7.696 -13.330 -3.620 1.00 0.00 C ATOM 860 CZ TYR A 58 6.810 -12.618 -4.401 1.00 0.00 C ATOM 861 OH TYR A 58 7.201 -11.425 -4.966 1.00 0.00 O ATOM 0 H TYR A 58 3.085 -17.723 -1.791 1.00 0.00 H new ATOM 0 HA TYR A 58 4.931 -15.770 -0.672 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.456 -16.817 -2.184 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.233 -17.004 -3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.144 -14.659 -4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.996 -15.083 -2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.843 -12.534 -5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.694 -12.954 -3.450 1.00 0.00 H new ATOM 0 HH TYR A 58 8.128 -11.232 -4.714 1.00 0.00 H new ATOM 871 N VAL A 59 3.513 -13.968 -1.651 1.00 0.00 N ATOM 872 CA VAL A 59 2.551 -12.949 -2.055 1.00 0.00 C ATOM 873 C VAL A 59 3.118 -11.548 -1.855 1.00 0.00 C ATOM 874 O VAL A 59 3.793 -11.276 -0.862 1.00 0.00 O ATOM 875 CB VAL A 59 1.235 -13.075 -1.265 1.00 0.00 C ATOM 876 CG1 VAL A 59 0.699 -14.497 -1.344 1.00 0.00 C ATOM 877 CG2 VAL A 59 1.440 -12.653 0.182 1.00 0.00 C ATOM 0 H VAL A 59 4.244 -13.633 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 59 2.348 -13.108 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 59 0.497 -12.409 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.231 -14.567 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.512 -14.758 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.431 -15.186 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.500 -12.748 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.193 -13.292 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.774 -11.616 0.215 1.00 0.00 H new ATOM 887 N CYS A 60 2.840 -10.663 -2.805 1.00 0.00 N ATOM 888 CA CYS A 60 3.323 -9.288 -2.735 1.00 0.00 C ATOM 889 C CYS A 60 2.500 -8.375 -3.638 1.00 0.00 C ATOM 890 O CYS A 60 1.984 -8.807 -4.670 1.00 0.00 O ATOM 891 CB CYS A 60 4.799 -9.223 -3.131 1.00 0.00 C ATOM 892 SG CYS A 60 5.938 -9.728 -1.820 1.00 0.00 S ATOM 0 H CYS A 60 2.283 -10.872 -3.633 1.00 0.00 H new ATOM 0 HA CYS A 60 3.215 -8.943 -1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.959 -9.859 -4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.039 -8.203 -3.433 1.00 0.00 H new ATOM 0 HG CYS A 60 5.363 -10.615 -1.064 1.00 0.00 H new ATOM 898 N PHE A 61 2.381 -7.112 -3.244 1.00 0.00 N ATOM 899 CA PHE A 61 1.618 -6.139 -4.017 1.00 0.00 C ATOM 900 C PHE A 61 2.130 -4.723 -3.765 1.00 0.00 C ATOM 901 O PHE A 61 2.705 -4.436 -2.715 1.00 0.00 O ATOM 902 CB PHE A 61 0.132 -6.227 -3.664 1.00 0.00 C ATOM 903 CG PHE A 61 -0.235 -5.466 -2.422 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.313 -4.083 -2.438 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.502 -6.134 -1.238 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.649 -3.380 -1.296 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.840 -5.437 -0.093 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.915 -4.059 -0.123 1.00 0.00 C ATOM 0 H PHE A 61 2.803 -6.738 -2.394 1.00 0.00 H new ATOM 0 HA PHE A 61 1.747 -6.371 -5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.455 -5.847 -4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.141 -7.274 -3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.109 -3.548 -3.353 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.445 -7.212 -1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.703 -2.302 -1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.045 -5.970 0.824 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.181 -3.512 0.770 1.00 0.00 H new ATOM 918 N THR A 62 1.916 -3.841 -4.737 1.00 0.00 N ATOM 919 CA THR A 62 2.356 -2.457 -4.622 1.00 0.00 C ATOM 920 C THR A 62 1.202 -1.544 -4.225 1.00 0.00 C ATOM 921 O THR A 62 0.179 -1.484 -4.910 1.00 0.00 O ATOM 922 CB THR A 62 2.965 -1.950 -5.943 1.00 0.00 C ATOM 923 OG1 THR A 62 4.007 -2.833 -6.373 1.00 0.00 O ATOM 924 CG2 THR A 62 3.520 -0.543 -5.779 1.00 0.00 C ATOM 0 H THR A 62 1.441 -4.061 -5.612 1.00 0.00 H new ATOM 0 HA THR A 62 3.120 -2.432 -3.845 1.00 0.00 H new ATOM 0 HB THR A 62 2.176 -1.926 -6.695 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.388 -2.505 -7.214 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.945 -0.207 -6.725 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.718 0.132 -5.481 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.296 -0.545 -5.013 1.00 0.00 H new ATOM 932 N LEU A 63 1.371 -0.834 -3.115 1.00 0.00 N ATOM 933 CA LEU A 63 0.342 0.078 -2.626 1.00 0.00 C ATOM 934 C LEU A 63 0.554 1.485 -3.177 1.00 0.00 C ATOM 935 O LEU A 63 1.520 2.162 -2.824 1.00 0.00 O ATOM 936 CB LEU A 63 0.347 0.111 -1.097 1.00 0.00 C ATOM 937 CG LEU A 63 -1.003 0.370 -0.427 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.949 -0.005 1.046 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.411 1.826 -0.594 1.00 0.00 C ATOM 0 H LEU A 63 2.210 -0.872 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.625 -0.286 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.733 -0.841 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.045 0.883 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.753 -0.254 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.919 0.186 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.703 -1.062 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.186 0.592 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.374 1.992 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.660 2.469 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.492 2.062 -1.655 1.00 0.00 H new ATOM 951 N VAL A 64 -0.356 1.919 -4.043 1.00 0.00 N ATOM 952 CA VAL A 64 -0.270 3.247 -4.640 1.00 0.00 C ATOM 953 C VAL A 64 -1.235 4.216 -3.966 1.00 0.00 C ATOM 954 O VAL A 64 -2.450 4.010 -3.981 1.00 0.00 O ATOM 955 CB VAL A 64 -0.573 3.203 -6.150 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.475 4.596 -6.754 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.369 2.240 -6.855 1.00 0.00 C ATOM 0 H VAL A 64 -1.161 1.371 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 64 0.752 3.596 -4.492 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.593 2.843 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.692 4.546 -7.821 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.195 5.255 -6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.532 4.987 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.140 2.222 -7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.399 2.567 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.244 1.240 -6.440 1.00 0.00 H new ATOM 967 N LEU A 65 -0.688 5.273 -3.377 1.00 0.00 N ATOM 968 CA LEU A 65 -1.501 6.276 -2.698 1.00 0.00 C ATOM 969 C LEU A 65 -1.401 7.625 -3.401 1.00 0.00 C ATOM 970 O LEU A 65 -0.361 8.281 -3.361 1.00 0.00 O ATOM 971 CB LEU A 65 -1.061 6.415 -1.239 1.00 0.00 C ATOM 972 CG LEU A 65 -1.297 5.195 -0.348 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.347 5.209 0.840 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.743 5.152 0.125 1.00 0.00 C ATOM 0 H LEU A 65 0.315 5.458 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.540 5.947 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.003 6.652 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.584 7.266 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.100 4.298 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.530 4.333 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.683 5.192 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.512 6.112 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.893 4.277 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.967 6.054 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.406 5.094 -0.738 1.00 0.00 H new ATOM 986 N GLN A 66 -2.491 8.034 -4.044 1.00 0.00 N ATOM 987 CA GLN A 66 -2.525 9.306 -4.755 1.00 0.00 C ATOM 988 C GLN A 66 -3.226 10.376 -3.923 1.00 0.00 C ATOM 989 O GLN A 66 -4.455 10.448 -3.894 1.00 0.00 O ATOM 990 CB GLN A 66 -3.235 9.144 -6.100 1.00 0.00 C ATOM 991 CG GLN A 66 -2.821 10.177 -7.135 1.00 0.00 C ATOM 992 CD GLN A 66 -3.802 10.275 -8.287 1.00 0.00 C ATOM 993 OE1 GLN A 66 -4.950 10.682 -8.106 1.00 0.00 O ATOM 994 NE2 GLN A 66 -3.355 9.902 -9.480 1.00 0.00 N ATOM 0 H GLN A 66 -3.361 7.503 -4.087 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.497 9.623 -4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.031 8.148 -6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.312 9.210 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.732 11.151 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.835 9.922 -7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.396 9.571 -9.585 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.971 9.947 -10.292 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.436 11.205 -3.248 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.980 12.271 -2.416 1.00 0.00 C ATOM 1005 C VAL A 67 -3.438 13.452 -3.265 1.00 0.00 C ATOM 1006 O VAL A 67 -2.652 14.081 -3.974 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.945 12.764 -1.387 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.562 13.807 -0.467 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.392 11.595 -0.587 1.00 0.00 C ATOM 0 H VAL A 67 -1.417 11.159 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.837 11.853 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.119 13.231 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.816 14.144 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.905 14.656 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.407 13.369 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.662 11.961 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.206 11.097 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.911 10.887 -1.262 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.741 13.761 -3.194 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.334 14.869 -3.950 1.00 0.00 C ATOM 1021 C PRO A 68 -4.882 16.230 -3.433 1.00 0.00 C ATOM 1022 O PRO A 68 -3.977 16.321 -2.603 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.837 14.685 -3.728 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.943 13.950 -2.437 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.737 13.054 -2.371 1.00 0.00 C ATOM 0 HA PRO A 68 -5.039 14.851 -4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.350 15.645 -3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.291 14.121 -4.543 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.962 14.641 -1.595 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.864 13.369 -2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.390 12.922 -1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.952 12.061 -2.765 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.518 17.287 -3.928 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.182 18.644 -3.514 1.00 0.00 C ATOM 1035 C ALA A 69 -5.841 18.991 -2.183 1.00 0.00 C ATOM 1036 O ALA A 69 -5.224 19.611 -1.318 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.596 19.641 -4.586 1.00 0.00 C ATOM 0 H ALA A 69 -6.269 17.230 -4.616 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.102 18.699 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.339 20.650 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.074 19.413 -5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.672 19.575 -4.748 1.00 0.00 H new ATOM 1043 N GLU A 70 -7.098 18.587 -2.027 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.840 18.857 -0.802 1.00 0.00 C ATOM 1045 C GLU A 70 -7.080 18.346 0.419 1.00 0.00 C ATOM 1046 O GLU A 70 -6.981 19.034 1.435 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.224 18.208 -0.863 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.229 18.993 -1.690 1.00 0.00 C ATOM 1049 CD GLU A 70 -10.999 20.005 -0.864 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -10.356 20.766 -0.110 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -12.242 20.038 -0.972 1.00 0.00 O ATOM 0 H GLU A 70 -7.623 18.072 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.957 19.937 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.128 17.205 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.609 18.096 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.707 19.509 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.930 18.301 -2.156 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.546 17.134 0.310 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.797 16.529 1.405 1.00 0.00 C ATOM 1060 C TYR A 71 -5.123 17.597 2.261 1.00 0.00 C ATOM 1061 O TYR A 71 -4.602 18.593 1.760 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.747 15.560 0.858 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.903 14.912 1.933 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -3.030 15.666 2.707 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -3.980 13.546 2.174 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.257 15.078 3.689 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.211 12.949 3.155 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.351 13.720 3.909 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.583 13.130 4.887 1.00 0.00 O ATOM 0 H TYR A 71 -6.618 16.552 -0.525 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.499 15.978 2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.248 14.782 0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.094 16.096 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.954 16.730 2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.652 12.940 1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.583 15.679 4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.283 11.886 3.330 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.167 12.707 5.550 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.132 17.385 3.585 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.750 16.203 4.194 1.00 0.00 C ATOM 1081 C PRO A 72 -7.271 16.224 4.088 1.00 0.00 C ATOM 1082 O PRO A 72 -7.920 15.178 4.115 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.315 16.289 5.659 1.00 0.00 C ATOM 1084 CG PRO A 72 -5.060 17.738 5.893 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.541 18.283 4.591 1.00 0.00 C ATOM 0 HA PRO A 72 -5.443 15.282 3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.090 15.911 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.420 15.695 5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.973 18.251 6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.334 17.882 6.693 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.849 19.317 4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.452 18.266 4.554 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.835 17.422 3.966 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.280 17.579 3.855 1.00 0.00 C ATOM 1095 C HIS A 73 -9.902 16.389 3.131 1.00 0.00 C ATOM 1096 O HIS A 73 -10.983 15.926 3.493 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.619 18.874 3.116 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.375 20.108 3.929 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -10.364 20.742 4.650 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -8.245 20.824 4.133 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -9.854 21.796 5.261 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -8.569 21.868 4.965 1.00 0.00 N ATOM 0 H HIS A 73 -7.313 18.298 3.942 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.693 17.626 4.862 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -9.027 18.927 2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.666 18.848 2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.270 20.614 3.719 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.396 22.482 5.895 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.922 22.582 5.300 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.211 15.899 2.106 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.697 14.764 1.330 1.00 0.00 C ATOM 1113 C GLU A 74 -8.779 13.557 1.498 1.00 0.00 C ATOM 1114 O GLU A 74 -7.560 13.700 1.604 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.803 15.137 -0.150 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.493 14.081 -0.996 1.00 0.00 C ATOM 1117 CD GLU A 74 -10.689 14.521 -2.434 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -9.680 14.648 -3.159 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -11.852 14.739 -2.834 1.00 0.00 O ATOM 0 H GLU A 74 -8.314 16.270 1.794 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.687 14.500 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.348 16.077 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.802 15.310 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.904 13.164 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.462 13.846 -0.557 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.372 12.368 1.521 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.608 11.135 1.675 1.00 0.00 C ATOM 1128 C VAL A 75 -7.892 10.767 0.381 1.00 0.00 C ATOM 1129 O VAL A 75 -8.407 10.963 -0.720 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.514 9.963 2.099 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.158 10.247 3.447 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.571 9.697 1.038 1.00 0.00 C ATOM 0 H VAL A 75 -10.379 12.232 1.435 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.870 11.315 2.456 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.900 9.068 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.794 9.408 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.381 10.384 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.761 11.153 3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.202 8.866 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.184 10.588 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.085 9.446 0.095 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.674 10.221 0.513 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.860 9.813 -0.635 1.00 0.00 C ATOM 1144 C PRO A 76 -6.436 8.595 -1.350 1.00 0.00 C ATOM 1145 O PRO A 76 -6.831 7.619 -0.713 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.506 9.473 -0.008 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.822 9.109 1.402 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.998 9.959 1.795 1.00 0.00 C ATOM 0 HA PRO A 76 -5.809 10.592 -1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.024 8.648 -0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.824 10.322 -0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.061 8.049 1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.969 9.297 2.054 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.652 9.440 2.496 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.682 10.883 2.279 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.481 8.660 -2.677 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.009 7.562 -3.478 1.00 0.00 C ATOM 1158 C GLN A 77 -6.194 6.291 -3.264 1.00 0.00 C ATOM 1159 O GLN A 77 -5.080 6.163 -3.775 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.010 7.939 -4.961 1.00 0.00 C ATOM 1161 CG GLN A 77 -7.411 6.795 -5.878 1.00 0.00 C ATOM 1162 CD GLN A 77 -7.312 7.162 -7.346 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -7.393 8.336 -7.711 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -7.137 6.159 -8.197 1.00 0.00 N ATOM 0 H GLN A 77 -6.158 9.461 -3.220 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.034 7.372 -3.158 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.694 8.774 -5.115 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.015 8.286 -5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.773 5.934 -5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.434 6.494 -5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.075 5.201 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.064 6.346 -9.197 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.755 5.355 -2.507 1.00 0.00 N ATOM 1174 CA ILE A 78 -6.079 4.094 -2.227 1.00 0.00 C ATOM 1175 C ILE A 78 -6.283 3.097 -3.362 1.00 0.00 C ATOM 1176 O ILE A 78 -7.415 2.792 -3.739 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.580 3.467 -0.912 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.450 4.468 0.238 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.806 2.194 -0.604 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.493 4.286 1.318 1.00 0.00 C ATOM 0 H ILE A 78 -7.675 5.445 -2.077 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.017 4.320 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.633 3.210 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.459 4.373 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.525 5.479 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.171 1.763 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.945 1.478 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.746 2.428 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.340 5.029 2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.487 4.411 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.405 3.287 1.744 1.00 0.00 H new ATOM 1192 N SER A 79 -5.180 2.590 -3.903 1.00 0.00 N ATOM 1193 CA SER A 79 -5.237 1.628 -4.998 1.00 0.00 C ATOM 1194 C SER A 79 -4.079 0.638 -4.912 1.00 0.00 C ATOM 1195 O SER A 79 -3.051 0.921 -4.296 1.00 0.00 O ATOM 1196 CB SER A 79 -5.204 2.354 -6.344 1.00 0.00 C ATOM 1197 OG SER A 79 -6.404 3.074 -6.565 1.00 0.00 O ATOM 0 H SER A 79 -4.236 2.829 -3.601 1.00 0.00 H new ATOM 0 HA SER A 79 -6.172 1.074 -4.915 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.356 3.038 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.057 1.632 -7.147 1.00 0.00 H new ATOM 0 HG SER A 79 -6.503 3.260 -7.522 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.255 -0.523 -5.533 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.225 -1.555 -5.529 1.00 0.00 C ATOM 1205 C ILE A 80 -2.858 -1.971 -6.949 1.00 0.00 C ATOM 1206 O ILE A 80 -3.725 -2.328 -7.746 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.679 -2.799 -4.742 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -3.922 -2.440 -3.275 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.641 -3.906 -4.857 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.486 -3.583 -2.459 1.00 0.00 C ATOM 0 H ILE A 80 -5.101 -0.773 -6.045 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.350 -1.126 -5.042 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.615 -3.159 -5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.982 -2.114 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.609 -1.595 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.976 -4.778 -4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.512 -4.176 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.691 -3.557 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.633 -3.257 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.442 -3.894 -2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.790 -4.422 -2.478 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.566 -1.925 -7.257 1.00 0.00 N ATOM 1223 CA ARG A 81 -1.083 -2.298 -8.582 1.00 0.00 C ATOM 1224 C ARG A 81 -0.267 -3.586 -8.520 1.00 0.00 C ATOM 1225 O ARG A 81 0.372 -3.879 -7.510 1.00 0.00 O ATOM 1226 CB ARG A 81 -0.234 -1.171 -9.174 1.00 0.00 C ATOM 1227 CG ARG A 81 -1.053 -0.075 -9.835 1.00 0.00 C ATOM 1228 CD ARG A 81 -0.167 0.904 -10.589 1.00 0.00 C ATOM 1229 NE ARG A 81 0.519 0.270 -11.712 1.00 0.00 N ATOM 1230 CZ ARG A 81 1.244 0.937 -12.602 1.00 0.00 C ATOM 1231 NH1 ARG A 81 1.377 2.252 -12.502 1.00 0.00 N ATOM 1232 NH2 ARG A 81 1.838 0.288 -13.596 1.00 0.00 N ATOM 0 H ARG A 81 -0.835 -1.633 -6.608 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.948 -2.467 -9.223 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.374 -0.732 -8.383 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.453 -1.592 -9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.772 -0.521 -10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.626 0.460 -9.077 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.773 1.733 -10.956 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.570 1.326 -9.906 1.00 0.00 H new ATOM 0 HE ARG A 81 0.436 -0.741 -11.818 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.922 2.754 -11.740 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.935 2.762 -13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.738 -0.724 -13.676 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.395 0.801 -14.279 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.294 -4.350 -9.606 1.00 0.00 N ATOM 1247 CA ASN A 82 0.442 -5.607 -9.675 1.00 0.00 C ATOM 1248 C ASN A 82 0.181 -6.459 -8.436 1.00 0.00 C ATOM 1249 O ASN A 82 1.103 -6.879 -7.736 1.00 0.00 O ATOM 1250 CB ASN A 82 1.941 -5.337 -9.816 1.00 0.00 C ATOM 1251 CG ASN A 82 2.299 -4.753 -11.169 1.00 0.00 C ATOM 1252 OD1 ASN A 82 1.437 -4.581 -12.030 1.00 0.00 O ATOM 1253 ND2 ASN A 82 3.576 -4.445 -11.361 1.00 0.00 N ATOM 0 H ASN A 82 -0.818 -4.121 -10.451 1.00 0.00 H new ATOM 0 HA ASN A 82 0.095 -6.155 -10.551 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.259 -4.650 -9.031 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.490 -6.267 -9.668 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.877 -4.048 -12.251 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.256 -4.605 -10.618 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.105 -6.721 -8.158 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.517 -7.526 -7.004 1.00 0.00 C ATOM 1262 C PRO A 83 -1.149 -8.997 -7.162 1.00 0.00 C ATOM 1263 O PRO A 83 -1.926 -9.786 -7.701 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.038 -7.355 -6.978 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.408 -7.036 -8.385 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.255 -6.253 -8.950 1.00 0.00 C ATOM 0 HA PRO A 83 -1.022 -7.207 -6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.533 -8.264 -6.635 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.335 -6.555 -6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.580 -7.946 -8.959 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.330 -6.456 -8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.118 -6.450 -10.013 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.407 -5.179 -8.842 1.00 0.00 H new ATOM 1274 N ARG A 84 0.039 -9.359 -6.690 1.00 0.00 N ATOM 1275 CA ARG A 84 0.510 -10.736 -6.780 1.00 0.00 C ATOM 1276 C ARG A 84 0.310 -11.466 -5.455 1.00 0.00 C ATOM 1277 O ARG A 84 0.464 -10.882 -4.383 1.00 0.00 O ATOM 1278 CB ARG A 84 1.987 -10.768 -7.174 1.00 0.00 C ATOM 1279 CG ARG A 84 2.559 -12.172 -7.281 1.00 0.00 C ATOM 1280 CD ARG A 84 2.023 -12.901 -8.503 1.00 0.00 C ATOM 1281 NE ARG A 84 2.032 -14.350 -8.324 1.00 0.00 N ATOM 1282 CZ ARG A 84 1.410 -15.195 -9.138 1.00 0.00 C ATOM 1283 NH1 ARG A 84 0.733 -14.738 -10.182 1.00 0.00 N ATOM 1284 NH2 ARG A 84 1.464 -16.501 -8.908 1.00 0.00 N ATOM 0 H ARG A 84 0.693 -8.718 -6.241 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.074 -11.244 -7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.110 -10.261 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.563 -10.205 -6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.646 -12.120 -7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.311 -12.736 -6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.006 -12.567 -8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.624 -12.640 -9.374 1.00 0.00 H new ATOM 0 HE ARG A 84 2.544 -14.734 -7.530 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.689 -13.735 -10.362 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.256 -15.389 -10.806 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.984 -16.856 -8.105 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.986 -17.149 -9.534 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.034 -12.748 -5.537 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.250 -13.537 -4.339 1.00 0.00 C ATOM 1300 C GLY A 85 -1.688 -13.487 -3.863 1.00 0.00 C ATOM 1301 O GLY A 85 -2.241 -14.497 -3.424 1.00 0.00 O ATOM 0 H GLY A 85 -0.167 -13.254 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.029 -14.572 -4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.405 -13.175 -3.546 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.296 -12.309 -3.946 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.679 -12.130 -3.519 1.00 0.00 C ATOM 1307 C LEU A 86 -4.632 -12.210 -4.707 1.00 0.00 C ATOM 1308 O LEU A 86 -4.204 -12.177 -5.861 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.844 -10.785 -2.808 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.855 -10.496 -1.679 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.600 -9.002 -1.562 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -3.370 -11.057 -0.362 1.00 0.00 C ATOM 0 H LEU A 86 -1.853 -11.463 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.925 -12.934 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.759 -9.992 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.854 -10.733 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.911 -10.987 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.894 -8.816 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.186 -8.629 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.538 -8.488 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.653 -10.842 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.328 -10.596 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.499 -12.136 -0.452 1.00 0.00 H new ATOM 1324 N SER A 87 -5.925 -12.312 -4.418 1.00 0.00 N ATOM 1325 CA SER A 87 -6.938 -12.399 -5.463 1.00 0.00 C ATOM 1326 C SER A 87 -7.857 -11.181 -5.430 1.00 0.00 C ATOM 1327 O SER A 87 -7.744 -10.328 -4.550 1.00 0.00 O ATOM 1328 CB SER A 87 -7.761 -13.678 -5.300 1.00 0.00 C ATOM 1329 OG SER A 87 -7.176 -14.755 -6.012 1.00 0.00 O ATOM 0 H SER A 87 -6.296 -12.336 -3.468 1.00 0.00 H new ATOM 0 HA SER A 87 -6.430 -12.424 -6.427 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.835 -13.934 -4.243 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.776 -13.509 -5.659 1.00 0.00 H new ATOM 0 HG SER A 87 -7.720 -15.561 -5.890 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.767 -11.109 -6.395 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.707 -9.997 -6.478 1.00 0.00 C ATOM 1337 C ASP A 88 -10.407 -9.777 -5.141 1.00 0.00 C ATOM 1338 O ASP A 88 -10.505 -8.649 -4.660 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.743 -10.258 -7.573 1.00 0.00 C ATOM 1340 CG ASP A 88 -10.133 -10.892 -8.808 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -9.253 -10.259 -9.428 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -10.534 -12.023 -9.153 1.00 0.00 O ATOM 0 H ASP A 88 -8.874 -11.807 -7.131 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.146 -9.096 -6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.524 -10.910 -7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.220 -9.318 -7.849 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.893 -10.863 -4.547 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.586 -10.787 -3.266 1.00 0.00 C ATOM 1349 C GLU A 89 -10.710 -10.116 -2.213 1.00 0.00 C ATOM 1350 O GLU A 89 -11.028 -9.031 -1.726 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.988 -12.186 -2.795 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.176 -12.191 -1.847 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.744 -13.580 -1.631 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -13.039 -14.425 -1.041 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -14.895 -13.822 -2.052 1.00 0.00 O ATOM 0 H GLU A 89 -10.820 -11.805 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.485 -10.185 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.225 -12.799 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.136 -12.652 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.872 -11.774 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.956 -11.541 -2.244 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.605 -10.769 -1.866 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.684 -10.237 -0.870 1.00 0.00 C ATOM 1364 C GLN A 90 -8.358 -8.775 -1.156 1.00 0.00 C ATOM 1365 O GLN A 90 -8.634 -7.896 -0.339 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.397 -11.063 -0.842 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.577 -12.451 -0.250 1.00 0.00 C ATOM 1368 CD GLN A 90 -7.449 -12.464 1.260 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -8.446 -12.399 1.980 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -6.218 -12.547 1.749 1.00 0.00 N ATOM 0 H GLN A 90 -9.327 -11.667 -2.260 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.168 -10.298 0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.014 -11.158 -1.858 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.643 -10.526 -0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.557 -12.837 -0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.835 -13.124 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.420 -12.599 1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.070 -12.559 2.758 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.769 -8.522 -2.320 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.407 -7.166 -2.714 1.00 0.00 C ATOM 1381 C ILE A 91 -8.443 -6.158 -2.230 1.00 0.00 C ATOM 1382 O ILE A 91 -8.145 -5.291 -1.408 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.262 -7.044 -4.242 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.111 -7.921 -4.740 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -7.038 -5.592 -4.638 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.251 -8.337 -6.187 1.00 0.00 C ATOM 0 H ILE A 91 -7.532 -9.238 -3.007 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.446 -6.947 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.185 -7.390 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.173 -7.381 -4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.050 -8.814 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.937 -5.522 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.887 -4.991 -4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.129 -5.222 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.400 -8.956 -6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.172 -8.905 -6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.281 -7.450 -6.819 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.663 -6.277 -2.745 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.745 -5.377 -2.364 1.00 0.00 C ATOM 1400 C HIS A 92 -10.836 -5.249 -0.847 1.00 0.00 C ATOM 1401 O HIS A 92 -11.021 -4.153 -0.315 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.076 -5.879 -2.926 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.251 -5.047 -2.515 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -13.817 -4.089 -3.330 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.969 -5.034 -1.368 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -14.832 -3.522 -2.701 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.945 -4.078 -1.508 1.00 0.00 N ATOM 0 H HIS A 92 -9.927 -6.988 -3.427 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.531 -4.393 -2.782 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.017 -5.898 -4.014 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.236 -6.906 -2.597 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -13.805 -5.659 -0.503 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -15.462 -2.738 -3.095 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.644 -3.837 -0.805 1.00 0.00 H new ATOM 1416 N THR A 93 -10.706 -6.376 -0.153 1.00 0.00 N ATOM 1417 CA THR A 93 -10.775 -6.390 1.302 1.00 0.00 C ATOM 1418 C THR A 93 -9.743 -5.449 1.911 1.00 0.00 C ATOM 1419 O THR A 93 -10.044 -4.698 2.840 1.00 0.00 O ATOM 1420 CB THR A 93 -10.554 -7.808 1.861 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.442 -8.731 1.223 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.779 -7.838 3.366 1.00 0.00 C ATOM 0 H THR A 93 -10.552 -7.291 -0.576 1.00 0.00 H new ATOM 0 HA THR A 93 -11.775 -6.052 1.574 1.00 0.00 H new ATOM 0 HB THR A 93 -9.523 -8.097 1.657 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.135 -8.902 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.617 -8.850 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 93 -10.081 -7.157 3.852 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.801 -7.529 3.587 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.524 -5.493 1.383 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.448 -4.642 1.874 1.00 0.00 C ATOM 1432 C ILE A 94 -7.819 -3.167 1.762 1.00 0.00 C ATOM 1433 O ILE A 94 -7.508 -2.369 2.648 1.00 0.00 O ATOM 1434 CB ILE A 94 -6.138 -4.890 1.103 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.773 -6.375 1.139 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -5.013 -4.048 1.686 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.765 -6.775 0.084 1.00 0.00 C ATOM 0 H ILE A 94 -8.257 -6.109 0.615 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.297 -4.898 2.923 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.284 -4.596 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.373 -6.619 2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.679 -6.967 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.094 -4.234 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.273 -2.992 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.865 -4.314 2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.553 -7.841 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.170 -6.563 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.844 -6.210 0.228 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.486 -2.811 0.670 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.902 -1.432 0.443 1.00 0.00 C ATOM 1451 C LEU A 95 -10.010 -1.030 1.411 1.00 0.00 C ATOM 1452 O LEU A 95 -10.110 0.130 1.807 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.380 -1.253 -0.999 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.495 -1.874 -2.081 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.156 -1.754 -3.445 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.123 -1.214 -2.091 1.00 0.00 C ATOM 0 H LEU A 95 -8.750 -3.459 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.041 -0.786 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.379 -1.680 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.471 -0.186 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.366 -2.932 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.512 -2.201 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.115 -2.273 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.316 -0.702 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.506 -1.668 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.233 -0.148 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.646 -1.352 -1.121 1.00 0.00 H new ATOM 1468 N GLN A 96 -10.838 -1.999 1.789 1.00 0.00 N ATOM 1469 CA GLN A 96 -11.938 -1.746 2.712 1.00 0.00 C ATOM 1470 C GLN A 96 -11.420 -1.199 4.039 1.00 0.00 C ATOM 1471 O GLN A 96 -11.737 -0.073 4.423 1.00 0.00 O ATOM 1472 CB GLN A 96 -12.734 -3.030 2.953 1.00 0.00 C ATOM 1473 CG GLN A 96 -13.343 -3.614 1.689 1.00 0.00 C ATOM 1474 CD GLN A 96 -14.633 -4.365 1.955 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -14.624 -5.575 2.182 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -15.751 -3.650 1.929 1.00 0.00 N ATOM 0 H GLN A 96 -10.768 -2.965 1.471 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.592 -0.999 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -12.080 -3.773 3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.530 -2.825 3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -13.535 -2.810 0.978 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.625 -4.288 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -15.712 -2.649 1.737 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -16.649 -4.102 2.101 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.622 -2.003 4.734 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.060 -1.599 6.017 1.00 0.00 C ATOM 1487 C VAL A 97 -9.419 -0.219 5.926 1.00 0.00 C ATOM 1488 O VAL A 97 -9.927 0.752 6.490 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.008 -2.609 6.513 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.400 -2.146 7.828 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -9.626 -3.992 6.659 1.00 0.00 C ATOM 0 H VAL A 97 -10.350 -2.938 4.430 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.886 -1.567 6.728 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.210 -2.668 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.659 -2.873 8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.920 -1.178 7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.184 -2.056 8.580 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.869 -4.693 7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.444 -3.951 7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.008 -4.324 5.693 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.302 -0.137 5.213 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.590 1.125 5.047 1.00 0.00 C ATOM 1503 C LEU A 98 -8.565 2.271 4.798 1.00 0.00 C ATOM 1504 O LEU A 98 -8.476 3.324 5.427 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.597 1.025 3.888 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.498 -0.028 4.035 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.765 -0.223 2.717 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.524 0.368 5.135 1.00 0.00 C ATOM 0 H LEU A 98 -7.869 -0.930 4.740 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.044 1.330 5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.154 0.814 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.125 1.998 3.756 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.963 -0.974 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.987 -0.976 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.470 -0.553 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.312 0.720 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.749 -0.393 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.066 1.326 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.059 0.455 6.081 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.499 2.057 3.876 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.480 3.080 3.561 1.00 0.00 C ATOM 1522 C GLY A 99 -10.895 3.879 4.781 1.00 0.00 C ATOM 1523 O GLY A 99 -10.861 5.110 4.767 1.00 0.00 O ATOM 0 H GLY A 99 -9.594 1.193 3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.069 3.755 2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.360 2.612 3.120 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.291 3.178 5.839 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.717 3.830 7.072 1.00 0.00 C ATOM 1529 C HIS A 100 -10.552 4.567 7.727 1.00 0.00 C ATOM 1530 O HIS A 100 -10.664 5.743 8.072 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.296 2.802 8.044 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.164 3.196 9.482 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -12.634 4.393 9.981 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -11.612 2.544 10.532 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -12.375 4.460 11.275 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -11.755 3.350 11.634 1.00 0.00 N ATOM 0 H HIS A 100 -11.326 2.159 5.867 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.490 4.557 6.821 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.350 2.650 7.813 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -11.795 1.846 7.890 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.146 1.570 10.507 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.627 5.282 11.928 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.435 3.128 12.577 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.435 3.867 7.896 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.250 4.454 8.509 1.00 0.00 C ATOM 1547 C VAL A 101 -7.950 5.828 7.920 1.00 0.00 C ATOM 1548 O VAL A 101 -7.534 6.742 8.631 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.017 3.549 8.328 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -5.777 4.213 8.906 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.254 2.191 8.971 1.00 0.00 C ATOM 0 H VAL A 101 -9.326 2.892 7.617 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.462 4.557 9.573 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.854 3.397 7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.916 3.558 8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.599 5.159 8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.926 4.398 9.970 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.373 1.565 8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.444 2.321 10.036 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.115 1.713 8.504 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.165 5.966 6.616 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.920 7.229 5.931 1.00 0.00 C ATOM 1563 C ALA A 102 -8.717 8.362 6.567 1.00 0.00 C ATOM 1564 O ALA A 102 -8.150 9.361 7.011 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.263 7.103 4.454 1.00 0.00 C ATOM 0 H ALA A 102 -8.508 5.219 6.013 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.861 7.467 6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.075 8.053 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.645 6.327 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.315 6.838 4.346 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.035 8.202 6.607 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.912 9.211 7.189 1.00 0.00 C ATOM 1573 C LYS A 103 -10.664 9.347 8.688 1.00 0.00 C ATOM 1574 O LYS A 103 -10.538 10.456 9.207 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.377 8.851 6.935 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.711 8.661 5.465 1.00 0.00 C ATOM 1577 CD LYS A 103 -13.960 7.816 5.282 1.00 0.00 C ATOM 1578 CE LYS A 103 -15.185 8.496 5.874 1.00 0.00 C ATOM 1579 NZ LYS A 103 -15.662 9.621 5.023 1.00 0.00 N ATOM 0 H LYS A 103 -10.520 7.382 6.243 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.691 10.166 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.616 7.935 7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.012 9.637 7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.857 9.634 4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.871 8.185 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.123 7.631 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.817 6.845 5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.985 7.765 5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.947 8.870 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.498 10.058 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.908 10.331 4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.914 9.261 4.080 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.594 8.213 9.378 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.357 8.207 10.816 1.00 0.00 C ATOM 1595 C ALA A 104 -9.134 9.044 11.175 1.00 0.00 C ATOM 1596 O ALA A 104 -8.949 9.427 12.329 1.00 0.00 O ATOM 1597 CB ALA A 104 -10.188 6.780 11.317 1.00 0.00 C ATOM 0 H ALA A 104 -10.698 7.287 8.964 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.224 8.652 11.304 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.012 6.790 12.393 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.092 6.210 11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.339 6.316 10.815 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.301 9.325 10.177 1.00 0.00 N ATOM 1604 CA GLY A 105 -7.106 10.114 10.409 1.00 0.00 C ATOM 1605 C GLY A 105 -7.078 11.382 9.578 1.00 0.00 C ATOM 1606 O GLY A 105 -6.029 11.774 9.065 1.00 0.00 O ATOM 0 H GLY A 105 -8.433 9.020 9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.046 10.374 11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.227 9.513 10.178 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.233 12.024 9.442 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.338 13.254 8.665 1.00 0.00 C ATOM 1612 C LEU A 106 -7.965 14.466 9.512 1.00 0.00 C ATOM 1613 O LEU A 106 -8.134 14.461 10.730 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.758 13.416 8.119 1.00 0.00 C ATOM 1615 CG LEU A 106 -10.018 12.817 6.737 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.512 12.699 6.479 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.354 13.659 5.657 1.00 0.00 C ATOM 0 H LEU A 106 -9.110 11.713 9.860 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.640 13.188 7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.452 12.961 8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.992 14.480 8.082 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.585 11.817 6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.678 12.271 5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.962 12.054 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.969 13.687 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.550 13.218 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.758 14.671 5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.279 13.692 5.831 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.458 15.506 8.857 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.071 16.712 9.565 1.00 0.00 C ATOM 1631 C GLY A 107 -5.580 16.775 9.830 1.00 0.00 C ATOM 1632 O GLY A 107 -4.997 17.859 9.891 1.00 0.00 O ATOM 0 H GLY A 107 -7.308 15.535 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.371 17.583 8.983 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.608 16.762 10.512 1.00 0.00 H new ATOM 1636 N THR A 108 -4.959 15.611 9.992 1.00 0.00 N ATOM 1637 CA THR A 108 -3.527 15.538 10.255 1.00 0.00 C ATOM 1638 C THR A 108 -2.882 14.398 9.476 1.00 0.00 C ATOM 1639 O THR A 108 -3.561 13.655 8.768 1.00 0.00 O ATOM 1640 CB THR A 108 -3.242 15.344 11.757 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.989 14.230 12.258 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.600 16.597 12.542 1.00 0.00 C ATOM 0 H THR A 108 -5.426 14.705 9.946 1.00 0.00 H new ATOM 0 HA THR A 108 -3.097 16.485 9.930 1.00 0.00 H new ATOM 0 HB THR A 108 -2.176 15.150 11.880 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.801 14.113 13.213 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.390 16.436 13.599 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.007 17.436 12.178 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.659 16.818 12.412 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.567 14.265 9.611 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.830 13.213 8.921 1.00 0.00 C ATOM 1652 C ALA A 109 -1.506 11.858 9.106 1.00 0.00 C ATOM 1653 O ALA A 109 -1.814 11.456 10.227 1.00 0.00 O ATOM 1654 CB ALA A 109 0.606 13.161 9.418 1.00 0.00 C ATOM 0 H ALA A 109 -0.990 14.873 10.192 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.825 13.445 7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.144 12.371 8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.092 14.118 9.228 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.613 12.956 10.489 1.00 0.00 H new ATOM 1660 N MET A 110 -1.733 11.160 7.998 1.00 0.00 N ATOM 1661 CA MET A 110 -2.372 9.849 8.039 1.00 0.00 C ATOM 1662 C MET A 110 -1.592 8.838 7.205 1.00 0.00 C ATOM 1663 O MET A 110 -1.539 7.653 7.537 1.00 0.00 O ATOM 1664 CB MET A 110 -3.812 9.944 7.532 1.00 0.00 C ATOM 1665 CG MET A 110 -3.958 10.780 6.270 1.00 0.00 C ATOM 1666 SD MET A 110 -5.486 10.430 5.379 1.00 0.00 S ATOM 1667 CE MET A 110 -6.382 11.960 5.630 1.00 0.00 C ATOM 0 H MET A 110 -1.484 11.479 7.062 1.00 0.00 H new ATOM 0 HA MET A 110 -2.381 9.509 9.075 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.187 8.939 7.338 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.437 10.372 8.316 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.930 11.837 6.534 1.00 0.00 H new ATOM 0 HG3 MET A 110 -3.108 10.592 5.614 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.340 11.747 6.105 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.799 12.622 6.270 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.554 12.443 4.668 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.989 9.312 6.121 1.00 0.00 N ATOM 1678 CA LEU A 111 -0.212 8.449 5.238 1.00 0.00 C ATOM 1679 C LEU A 111 0.505 7.361 6.033 1.00 0.00 C ATOM 1680 O LEU A 111 0.458 6.184 5.675 1.00 0.00 O ATOM 1681 CB LEU A 111 0.807 9.275 4.451 1.00 0.00 C ATOM 1682 CG LEU A 111 0.240 10.438 3.635 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.359 11.357 3.167 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.558 9.919 2.448 1.00 0.00 C ATOM 0 H LEU A 111 -1.023 10.290 5.832 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.900 7.971 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.542 9.673 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.341 8.608 3.774 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.431 11.012 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.937 12.179 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.887 11.757 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.055 10.795 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.953 10.761 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.090 9.321 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.383 9.303 2.806 1.00 0.00 H new ATOM 1696 N TYR A 112 1.165 7.763 7.113 1.00 0.00 N ATOM 1697 CA TYR A 112 1.891 6.823 7.959 1.00 0.00 C ATOM 1698 C TYR A 112 0.992 5.665 8.383 1.00 0.00 C ATOM 1699 O TYR A 112 1.243 4.512 8.036 1.00 0.00 O ATOM 1700 CB TYR A 112 2.440 7.536 9.195 1.00 0.00 C ATOM 1701 CG TYR A 112 3.288 6.649 10.079 1.00 0.00 C ATOM 1702 CD1 TYR A 112 2.707 5.666 10.870 1.00 0.00 C ATOM 1703 CD2 TYR A 112 4.669 6.795 10.123 1.00 0.00 C ATOM 1704 CE1 TYR A 112 3.478 4.854 11.680 1.00 0.00 C ATOM 1705 CE2 TYR A 112 5.447 5.987 10.928 1.00 0.00 C ATOM 1706 CZ TYR A 112 4.847 5.018 11.705 1.00 0.00 C ATOM 1707 OH TYR A 112 5.618 4.210 12.510 1.00 0.00 O ATOM 0 H TYR A 112 1.212 8.733 7.424 1.00 0.00 H new ATOM 0 HA TYR A 112 2.723 6.421 7.381 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.035 8.392 8.876 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.607 7.927 9.779 1.00 0.00 H new ATOM 0 HD1 TYR A 112 1.635 5.534 10.852 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.142 7.554 9.517 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.011 4.095 12.290 1.00 0.00 H new ATOM 0 HE2 TYR A 112 6.519 6.113 10.949 1.00 0.00 H new ATOM 0 HH TYR A 112 6.562 4.454 12.411 1.00 0.00 H new ATOM 1717 N GLU A 113 -0.057 5.984 9.135 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.993 4.970 9.607 1.00 0.00 C ATOM 1719 C GLU A 113 -1.411 4.044 8.469 1.00 0.00 C ATOM 1720 O GLU A 113 -1.351 2.820 8.595 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.229 5.632 10.220 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.052 6.015 11.680 1.00 0.00 C ATOM 1723 CD GLU A 113 -1.185 7.247 11.859 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -1.735 8.368 11.843 1.00 0.00 O ATOM 1725 OE2 GLU A 113 0.043 7.088 12.016 1.00 0.00 O ATOM 0 H GLU A 113 -0.280 6.935 9.430 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.491 4.376 10.370 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.475 6.525 9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -3.077 4.953 10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.030 6.196 12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.606 5.180 12.219 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.836 4.636 7.358 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.266 3.865 6.196 1.00 0.00 C ATOM 1734 C LEU A 114 -1.233 2.801 5.837 1.00 0.00 C ATOM 1735 O LEU A 114 -1.584 1.668 5.506 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.497 4.792 5.001 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.722 5.702 5.086 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.638 6.808 4.046 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -5.000 4.895 4.905 1.00 0.00 C ATOM 0 H LEU A 114 -1.892 5.647 7.237 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.202 3.367 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.613 5.417 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.585 4.180 4.103 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.742 6.161 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.519 7.446 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.742 7.404 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.593 6.368 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.862 5.559 4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.988 4.408 3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.067 4.139 5.687 1.00 0.00 H new ATOM 1751 N ILE A 115 0.041 3.173 5.906 1.00 0.00 N ATOM 1752 CA ILE A 115 1.124 2.250 5.591 1.00 0.00 C ATOM 1753 C ILE A 115 1.263 1.179 6.668 1.00 0.00 C ATOM 1754 O ILE A 115 0.942 0.013 6.442 1.00 0.00 O ATOM 1755 CB ILE A 115 2.467 2.988 5.440 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.428 3.919 4.226 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.608 1.990 5.313 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.426 5.054 4.303 1.00 0.00 C ATOM 0 H ILE A 115 0.348 4.107 6.177 1.00 0.00 H new ATOM 0 HA ILE A 115 0.870 1.777 4.642 1.00 0.00 H new ATOM 0 HB ILE A 115 2.636 3.592 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.621 3.337 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.425 4.334 4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.551 2.527 5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.645 1.364 6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.447 1.363 4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.342 5.673 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.220 5.660 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.435 4.647 4.369 1.00 0.00 H new ATOM 1770 N GLU A 116 1.744 1.584 7.839 1.00 0.00 N ATOM 1771 CA GLU A 116 1.925 0.658 8.951 1.00 0.00 C ATOM 1772 C GLU A 116 0.783 -0.352 9.010 1.00 0.00 C ATOM 1773 O GLU A 116 0.998 -1.534 9.280 1.00 0.00 O ATOM 1774 CB GLU A 116 2.010 1.425 10.273 1.00 0.00 C ATOM 1775 CG GLU A 116 0.883 2.424 10.471 1.00 0.00 C ATOM 1776 CD GLU A 116 0.726 2.848 11.918 1.00 0.00 C ATOM 1777 OE1 GLU A 116 0.633 1.959 12.790 1.00 0.00 O ATOM 1778 OE2 GLU A 116 0.698 4.069 12.179 1.00 0.00 O ATOM 0 H GLU A 116 2.015 2.546 8.042 1.00 0.00 H new ATOM 0 HA GLU A 116 2.858 0.117 8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 116 2.002 0.712 11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 116 2.963 1.952 10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 116 1.071 3.305 9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.052 1.985 10.121 1.00 0.00 H new ATOM 1785 N LYS A 117 -0.432 0.121 8.754 1.00 0.00 N ATOM 1786 CA LYS A 117 -1.609 -0.739 8.776 1.00 0.00 C ATOM 1787 C LYS A 117 -1.580 -1.730 7.617 1.00 0.00 C ATOM 1788 O LYS A 117 -1.590 -2.942 7.824 1.00 0.00 O ATOM 1789 CB LYS A 117 -2.884 0.105 8.708 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.152 -0.719 8.569 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.461 -1.486 9.844 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.111 -0.591 10.889 1.00 0.00 C ATOM 1793 NZ LYS A 117 -5.211 -1.267 12.212 1.00 0.00 N ATOM 0 H LYS A 117 -0.627 1.096 8.529 1.00 0.00 H new ATOM 0 HA LYS A 117 -1.601 -1.300 9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.954 0.715 9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -2.812 0.790 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -4.988 -0.063 8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.044 -1.418 7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.123 -2.321 9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.541 -1.909 10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.532 0.326 10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.107 -0.303 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.659 -0.625 12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -5.785 -2.129 12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.259 -1.519 12.546 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.544 -1.205 6.396 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.513 -2.058 5.222 1.00 0.00 C ATOM 1809 C GLY A 118 -0.709 -3.323 5.446 1.00 0.00 C ATOM 1810 O GLY A 118 -1.131 -4.413 5.060 1.00 0.00 O ATOM 0 H GLY A 118 -1.536 -0.204 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.533 -2.324 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -1.087 -1.504 4.385 1.00 0.00 H new ATOM 1814 N LYS A 119 0.455 -3.180 6.070 1.00 0.00 N ATOM 1815 CA LYS A 119 1.322 -4.319 6.345 1.00 0.00 C ATOM 1816 C LYS A 119 0.618 -5.335 7.240 1.00 0.00 C ATOM 1817 O LYS A 119 0.710 -6.541 7.016 1.00 0.00 O ATOM 1818 CB LYS A 119 2.619 -3.852 7.009 1.00 0.00 C ATOM 1819 CG LYS A 119 3.687 -3.419 6.019 1.00 0.00 C ATOM 1820 CD LYS A 119 4.949 -2.954 6.728 1.00 0.00 C ATOM 1821 CE LYS A 119 4.750 -1.598 7.387 1.00 0.00 C ATOM 1822 NZ LYS A 119 5.803 -1.314 8.400 1.00 0.00 N ATOM 0 H LYS A 119 0.820 -2.285 6.395 1.00 0.00 H new ATOM 0 HA LYS A 119 1.560 -4.799 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.396 -3.020 7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.013 -4.660 7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.927 -4.249 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.301 -2.613 5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.236 -3.688 7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.769 -2.895 6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.760 -0.819 6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.770 -1.566 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.632 -0.381 8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.777 -2.043 9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.736 -1.319 7.941 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.084 -4.838 8.253 1.00 0.00 N ATOM 1837 CA GLU A 120 -0.803 -5.703 9.181 1.00 0.00 C ATOM 1838 C GLU A 120 -1.873 -6.511 8.452 1.00 0.00 C ATOM 1839 O GLU A 120 -1.924 -7.736 8.564 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.446 -4.872 10.294 1.00 0.00 C ATOM 1841 CG GLU A 120 -0.450 -4.350 11.315 1.00 0.00 C ATOM 1842 CD GLU A 120 -1.118 -3.594 12.447 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -2.131 -2.912 12.188 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -0.627 -3.684 13.592 1.00 0.00 O ATOM 0 H GLU A 120 -0.170 -3.841 8.452 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.086 -6.395 9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.973 -4.028 9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.193 -5.480 10.805 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.116 -5.186 11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.265 -3.695 10.818 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.726 -5.816 7.707 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.794 -6.469 6.960 1.00 0.00 C ATOM 1853 C ILE A 121 -3.305 -7.762 6.317 1.00 0.00 C ATOM 1854 O ILE A 121 -4.005 -8.775 6.323 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.359 -5.546 5.864 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.915 -4.262 6.484 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.438 -6.267 5.069 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -4.973 -3.100 5.517 1.00 0.00 C ATOM 0 H ILE A 121 -2.698 -4.802 7.605 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.584 -6.698 7.675 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.551 -5.278 5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.917 -4.457 6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.297 -3.983 7.338 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.828 -5.602 4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.013 -7.155 4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.247 -6.561 5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.377 -2.224 6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.969 -2.878 5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.614 -3.359 4.675 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.098 -7.721 5.764 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.512 -8.891 5.118 1.00 0.00 C ATOM 1872 C LEU A 122 -1.224 -9.989 6.137 1.00 0.00 C ATOM 1873 O LEU A 122 -1.613 -11.141 5.950 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.224 -8.504 4.389 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.391 -7.984 2.961 1.00 0.00 C ATOM 1876 CD1 LEU A 122 0.920 -7.413 2.444 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.890 -9.092 2.045 1.00 0.00 C ATOM 0 H LEU A 122 -1.506 -6.891 5.750 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.231 -9.274 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.286 -7.740 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.431 -9.375 4.363 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.133 -7.185 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.782 -7.048 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.236 -6.590 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.683 -8.191 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.003 -8.704 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.172 -9.912 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.853 -9.455 2.404 1.00 0.00 H new ATOM 1889 N SER A 123 -0.541 -9.622 7.217 1.00 0.00 N ATOM 1890 CA SER A 123 -0.198 -10.575 8.266 1.00 0.00 C ATOM 1891 C SER A 123 -1.019 -10.315 9.525 1.00 0.00 C ATOM 1892 O SER A 123 -0.832 -9.306 10.204 1.00 0.00 O ATOM 1893 CB SER A 123 1.295 -10.494 8.590 1.00 0.00 C ATOM 1894 OG SER A 123 1.641 -9.211 9.081 1.00 0.00 O ATOM 0 H SER A 123 -0.214 -8.671 7.388 1.00 0.00 H new ATOM 0 HA SER A 123 -0.429 -11.576 7.903 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.551 -11.252 9.331 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.877 -10.713 7.695 1.00 0.00 H new ATOM 0 HG SER A 123 0.926 -8.880 9.665 1.00 0.00 H new ATOM 1900 N GLY A 124 -1.930 -11.234 9.831 1.00 0.00 N ATOM 1901 CA GLY A 124 -2.766 -11.087 11.008 1.00 0.00 C ATOM 1902 C GLY A 124 -3.175 -12.421 11.599 1.00 0.00 C ATOM 1903 O GLY A 124 -3.018 -13.474 10.979 1.00 0.00 O ATOM 0 H GLY A 124 -2.104 -12.078 9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -2.230 -10.509 11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.659 -10.520 10.747 1.00 0.00 H new ATOM 1907 N PRO A 125 -3.712 -12.389 12.828 1.00 0.00 N ATOM 1908 CA PRO A 125 -4.155 -13.597 13.530 1.00 0.00 C ATOM 1909 C PRO A 125 -5.397 -14.214 12.897 1.00 0.00 C ATOM 1910 O PRO A 125 -6.520 -13.794 13.174 1.00 0.00 O ATOM 1911 CB PRO A 125 -4.468 -13.092 14.941 1.00 0.00 C ATOM 1912 CG PRO A 125 -4.788 -11.648 14.764 1.00 0.00 C ATOM 1913 CD PRO A 125 -3.930 -11.170 13.625 1.00 0.00 C ATOM 0 HA PRO A 125 -3.402 -14.384 13.501 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.307 -13.633 15.378 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.618 -13.230 15.609 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.846 -11.507 14.542 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -4.576 -11.087 15.674 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.429 -10.394 13.044 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.990 -10.748 13.980 1.00 0.00 H new ATOM 1921 N SER A 126 -5.188 -15.213 12.046 1.00 0.00 N ATOM 1922 CA SER A 126 -6.291 -15.886 11.371 1.00 0.00 C ATOM 1923 C SER A 126 -6.670 -17.172 12.099 1.00 0.00 C ATOM 1924 O SER A 126 -7.818 -17.354 12.504 1.00 0.00 O ATOM 1925 CB SER A 126 -5.915 -16.199 9.921 1.00 0.00 C ATOM 1926 OG SER A 126 -5.896 -15.021 9.134 1.00 0.00 O ATOM 0 H SER A 126 -4.264 -15.574 11.808 1.00 0.00 H new ATOM 0 HA SER A 126 -7.152 -15.217 11.379 1.00 0.00 H new ATOM 0 HB2 SER A 126 -4.935 -16.676 9.891 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.628 -16.909 9.502 1.00 0.00 H new ATOM 0 HG SER A 126 -5.651 -15.247 8.212 1.00 0.00 H new ATOM 1932 N SER A 127 -5.697 -18.062 12.261 1.00 0.00 N ATOM 1933 CA SER A 127 -5.928 -19.334 12.936 1.00 0.00 C ATOM 1934 C SER A 127 -4.715 -19.734 13.770 1.00 0.00 C ATOM 1935 O SER A 127 -3.580 -19.391 13.441 1.00 0.00 O ATOM 1936 CB SER A 127 -6.242 -20.428 11.915 1.00 0.00 C ATOM 1937 OG SER A 127 -5.080 -20.807 11.198 1.00 0.00 O ATOM 0 H SER A 127 -4.740 -17.926 11.934 1.00 0.00 H new ATOM 0 HA SER A 127 -6.782 -19.214 13.602 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.658 -21.297 12.425 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.002 -20.073 11.219 1.00 0.00 H new ATOM 0 HG SER A 127 -5.308 -21.509 10.553 1.00 0.00 H new ATOM 1943 N GLY A 128 -4.964 -20.463 14.854 1.00 0.00 N ATOM 1944 CA GLY A 128 -3.884 -20.899 15.720 1.00 0.00 C ATOM 1945 C GLY A 128 -4.141 -20.572 17.177 1.00 0.00 C ATOM 1946 O GLY A 128 -5.278 -20.313 17.571 1.00 0.00 O ATOM 0 H GLY A 128 -5.895 -20.759 15.148 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -3.747 -21.975 15.611 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -2.955 -20.426 15.403 1.00 0.00 H new TER 1950 GLY A 128