USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 927 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 35 HIS : no HD1:sc= -0.634 K(o=-0.5,f=-4.3) USER MOD Set 1.2: A 46 SER OG : rot -121:sc= 0.138 USER MOD Set 2.1: A 32 SER OG : rot 150:sc= 0.454 USER MOD Set 2.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 48 THR OG1 : rot 124:sc= 1.06 USER MOD Set 3.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 176:sc= 0 (180deg=-0.0188) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -22:sc= 0.0744 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -170:sc= -1.32 USER MOD Single : A 52 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.6!) USER MOD Single : A 53 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.96) USER MOD Single : A 54 ASN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0522 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 71:sc= -0.778 USER MOD Single : A 70 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.13) USER MOD Single : A 72 GLN : amide:sc= -0.859 X(o=-0.86,f=-0.74) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -130:sc= -0.374 (180deg=-2.42!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -121:sc= -0.0113 (180deg=-0.974) USER MOD Single : A 80 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.62) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0944 X(o=-0.094,f=-0.074) USER MOD Single : A 91 SER OG : rot 180:sc= -0.697 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0677 USER MOD Single : A 93 HIS : no HD1:sc= -2.85 K(o=-2.9,f=-1.8) USER MOD Single : A 94 TYR OH : rot 180:sc=0.000706 USER MOD Single : A 97 THR OG1 : rot 170:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= -0.041 (180deg=-0.287) USER MOD Single : A 102 ASN : amide:sc= -3.24! C(o=-3.2!,f=-16!) USER MOD Single : A 103 ASN : amide:sc= -1.16 K(o=-1.2,f=-4.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -179:sc= 0.991 USER MOD Single : A 119 HIS : no HD1:sc= -0.972! C(o=-0.97!,f=-1.2!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.047 28.897 -4.989 1.00 0.00 N ATOM 2 CA GLY A 1 31.285 28.550 -3.804 1.00 0.00 C ATOM 3 C GLY A 1 29.817 28.324 -4.104 1.00 0.00 C ATOM 4 O GLY A 1 28.947 28.779 -3.361 1.00 0.00 O ATOM 0 H1 GLY A 1 33.030 29.107 -4.721 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.033 28.099 -5.656 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.625 29.733 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.704 27.648 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.383 29.347 -3.066 1.00 0.00 H new ATOM 8 N SER A 2 29.539 27.621 -5.198 1.00 0.00 N ATOM 9 CA SER A 2 28.165 27.341 -5.598 1.00 0.00 C ATOM 10 C SER A 2 27.550 26.263 -4.711 1.00 0.00 C ATOM 11 O SER A 2 28.249 25.603 -3.942 1.00 0.00 O ATOM 12 CB SER A 2 28.118 26.900 -7.063 1.00 0.00 C ATOM 13 OG SER A 2 28.750 25.644 -7.238 1.00 0.00 O ATOM 0 H SER A 2 30.247 27.235 -5.823 1.00 0.00 H new ATOM 0 HA SER A 2 27.585 28.257 -5.482 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.081 26.838 -7.394 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.608 27.647 -7.687 1.00 0.00 H new ATOM 0 HG SER A 2 28.705 25.384 -8.182 1.00 0.00 H new ATOM 19 N SER A 3 26.237 26.090 -4.824 1.00 0.00 N ATOM 20 CA SER A 3 25.526 25.095 -4.030 1.00 0.00 C ATOM 21 C SER A 3 24.139 24.829 -4.609 1.00 0.00 C ATOM 22 O SER A 3 23.563 25.680 -5.286 1.00 0.00 O ATOM 23 CB SER A 3 25.404 25.563 -2.579 1.00 0.00 C ATOM 24 OG SER A 3 24.950 24.513 -1.742 1.00 0.00 O ATOM 0 H SER A 3 25.644 26.626 -5.458 1.00 0.00 H new ATOM 0 HA SER A 3 26.097 24.167 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.371 25.921 -2.226 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.712 26.403 -2.521 1.00 0.00 H new ATOM 0 HG SER A 3 24.882 24.836 -0.819 1.00 0.00 H new ATOM 30 N GLY A 4 23.609 23.640 -4.337 1.00 0.00 N ATOM 31 CA GLY A 4 22.295 23.281 -4.837 1.00 0.00 C ATOM 32 C GLY A 4 21.282 23.097 -3.725 1.00 0.00 C ATOM 33 O GLY A 4 20.886 21.973 -3.418 1.00 0.00 O ATOM 0 H GLY A 4 24.067 22.919 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.945 24.056 -5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.369 22.359 -5.414 1.00 0.00 H new ATOM 37 N SER A 5 20.863 24.203 -3.119 1.00 0.00 N ATOM 38 CA SER A 5 19.893 24.157 -2.030 1.00 0.00 C ATOM 39 C SER A 5 18.483 24.423 -2.547 1.00 0.00 C ATOM 40 O SER A 5 18.008 25.559 -2.532 1.00 0.00 O ATOM 41 CB SER A 5 20.256 25.182 -0.953 1.00 0.00 C ATOM 42 OG SER A 5 21.360 24.742 -0.182 1.00 0.00 O ATOM 0 H SER A 5 21.179 25.142 -3.363 1.00 0.00 H new ATOM 0 HA SER A 5 19.919 23.158 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.493 26.137 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.398 25.350 -0.302 1.00 0.00 H new ATOM 0 HG SER A 5 21.573 25.415 0.498 1.00 0.00 H new ATOM 48 N SER A 6 17.818 23.367 -3.005 1.00 0.00 N ATOM 49 CA SER A 6 16.463 23.486 -3.531 1.00 0.00 C ATOM 50 C SER A 6 15.836 22.109 -3.733 1.00 0.00 C ATOM 51 O SER A 6 16.536 21.124 -3.963 1.00 0.00 O ATOM 52 CB SER A 6 16.473 24.253 -4.854 1.00 0.00 C ATOM 53 OG SER A 6 17.002 23.458 -5.901 1.00 0.00 O ATOM 0 H SER A 6 18.195 22.420 -3.022 1.00 0.00 H new ATOM 0 HA SER A 6 15.864 24.036 -2.805 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.459 24.563 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.067 25.161 -4.747 1.00 0.00 H new ATOM 0 HG SER A 6 16.996 23.971 -6.736 1.00 0.00 H new ATOM 59 N GLY A 7 14.511 22.051 -3.644 1.00 0.00 N ATOM 60 CA GLY A 7 13.811 20.792 -3.819 1.00 0.00 C ATOM 61 C GLY A 7 12.428 20.975 -4.413 1.00 0.00 C ATOM 62 O GLY A 7 11.426 21.032 -3.701 1.00 0.00 O ATOM 0 H GLY A 7 13.910 22.853 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.398 20.141 -4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.726 20.290 -2.855 1.00 0.00 H new ATOM 66 N PRO A 8 12.362 21.071 -5.750 1.00 0.00 N ATOM 67 CA PRO A 8 11.097 21.252 -6.469 1.00 0.00 C ATOM 68 C PRO A 8 10.219 20.007 -6.417 1.00 0.00 C ATOM 69 O PRO A 8 10.717 18.882 -6.453 1.00 0.00 O ATOM 70 CB PRO A 8 11.544 21.532 -7.906 1.00 0.00 C ATOM 71 CG PRO A 8 12.883 20.889 -8.019 1.00 0.00 C ATOM 72 CD PRO A 8 13.517 21.011 -6.661 1.00 0.00 C ATOM 0 HA PRO A 8 10.490 22.046 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.842 21.114 -8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.601 22.603 -8.101 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.790 19.844 -8.314 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.490 21.382 -8.779 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.160 20.159 -6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.136 21.905 -6.585 1.00 0.00 H new ATOM 80 N ALA A 9 8.909 20.216 -6.333 1.00 0.00 N ATOM 81 CA ALA A 9 7.961 19.110 -6.279 1.00 0.00 C ATOM 82 C ALA A 9 6.524 19.613 -6.371 1.00 0.00 C ATOM 83 O ALA A 9 6.161 20.606 -5.739 1.00 0.00 O ATOM 84 CB ALA A 9 8.159 18.306 -5.003 1.00 0.00 C ATOM 0 H ALA A 9 8.480 21.141 -6.301 1.00 0.00 H new ATOM 0 HA ALA A 9 8.148 18.463 -7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.444 17.484 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.173 17.907 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.002 18.951 -4.138 1.00 0.00 H new ATOM 90 N THR A 10 5.710 18.924 -7.164 1.00 0.00 N ATOM 91 CA THR A 10 4.314 19.302 -7.341 1.00 0.00 C ATOM 92 C THR A 10 3.380 18.175 -6.913 1.00 0.00 C ATOM 93 O THR A 10 3.829 17.078 -6.581 1.00 0.00 O ATOM 94 CB THR A 10 4.013 19.675 -8.805 1.00 0.00 C ATOM 95 OG1 THR A 10 4.499 18.651 -9.680 1.00 0.00 O ATOM 96 CG2 THR A 10 4.655 21.005 -9.167 1.00 0.00 C ATOM 0 H THR A 10 5.994 18.100 -7.694 1.00 0.00 H new ATOM 0 HA THR A 10 4.141 20.173 -6.709 1.00 0.00 H new ATOM 0 HB THR A 10 2.933 19.768 -8.919 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.303 18.894 -10.609 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.429 21.248 -10.205 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.262 21.787 -8.518 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.735 20.935 -9.038 1.00 0.00 H new ATOM 104 N ASP A 11 2.081 18.452 -6.925 1.00 0.00 N ATOM 105 CA ASP A 11 1.084 17.460 -6.540 1.00 0.00 C ATOM 106 C ASP A 11 1.263 16.172 -7.338 1.00 0.00 C ATOM 107 O ASP A 11 0.867 16.091 -8.501 1.00 0.00 O ATOM 108 CB ASP A 11 -0.326 18.014 -6.752 1.00 0.00 C ATOM 109 CG ASP A 11 -0.577 19.278 -5.953 1.00 0.00 C ATOM 110 OD1 ASP A 11 -0.296 19.277 -4.736 1.00 0.00 O ATOM 111 OD2 ASP A 11 -1.053 20.269 -6.546 1.00 0.00 O ATOM 0 H ASP A 11 1.694 19.355 -7.197 1.00 0.00 H new ATOM 0 HA ASP A 11 1.222 17.234 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.476 18.221 -7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.057 17.257 -6.468 1.00 0.00 H new ATOM 116 N TRP A 12 1.861 15.169 -6.706 1.00 0.00 N ATOM 117 CA TRP A 12 2.093 13.885 -7.357 1.00 0.00 C ATOM 118 C TRP A 12 0.790 13.302 -7.891 1.00 0.00 C ATOM 119 O TRP A 12 0.012 12.707 -7.143 1.00 0.00 O ATOM 120 CB TRP A 12 2.743 12.904 -6.380 1.00 0.00 C ATOM 121 CG TRP A 12 4.108 13.330 -5.931 1.00 0.00 C ATOM 122 CD1 TRP A 12 4.404 14.233 -4.951 1.00 0.00 C ATOM 123 CD2 TRP A 12 5.362 12.870 -6.448 1.00 0.00 C ATOM 124 NE1 TRP A 12 5.767 14.363 -4.827 1.00 0.00 N ATOM 125 CE2 TRP A 12 6.377 13.537 -5.733 1.00 0.00 C ATOM 126 CE3 TRP A 12 5.727 11.958 -7.442 1.00 0.00 C ATOM 127 CZ2 TRP A 12 7.729 13.320 -5.984 1.00 0.00 C ATOM 128 CZ3 TRP A 12 7.069 11.745 -7.690 1.00 0.00 C ATOM 129 CH2 TRP A 12 8.057 12.422 -6.963 1.00 0.00 C ATOM 0 H TRP A 12 2.194 15.220 -5.743 1.00 0.00 H new ATOM 0 HA TRP A 12 2.767 14.049 -8.198 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.100 12.792 -5.507 1.00 0.00 H new ATOM 0 HB3 TRP A 12 2.813 11.924 -6.853 1.00 0.00 H new ATOM 0 HD1 TRP A 12 3.675 14.767 -4.360 1.00 0.00 H new ATOM 0 HE1 TRP A 12 6.246 14.976 -4.167 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.973 11.429 -8.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.492 13.842 -5.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 7.362 11.044 -8.458 1.00 0.00 H new ATOM 0 HH2 TRP A 12 9.098 12.231 -7.180 1.00 0.00 H new ATOM 140 N LEU A 13 0.556 13.475 -9.187 1.00 0.00 N ATOM 141 CA LEU A 13 -0.655 12.965 -9.821 1.00 0.00 C ATOM 142 C LEU A 13 -0.538 11.469 -10.095 1.00 0.00 C ATOM 143 O LEU A 13 0.562 10.916 -10.112 1.00 0.00 O ATOM 144 CB LEU A 13 -0.926 13.715 -11.127 1.00 0.00 C ATOM 145 CG LEU A 13 0.188 13.664 -12.173 1.00 0.00 C ATOM 146 CD1 LEU A 13 -0.392 13.753 -13.576 1.00 0.00 C ATOM 147 CD2 LEU A 13 1.192 14.783 -11.937 1.00 0.00 C ATOM 0 H LEU A 13 1.189 13.965 -9.820 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.488 13.126 -9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.835 13.311 -11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.125 14.760 -10.888 1.00 0.00 H new ATOM 0 HG LEU A 13 0.707 12.710 -12.077 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.416 13.715 -14.307 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.071 12.917 -13.743 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.937 14.691 -13.686 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.978 14.732 -12.691 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.686 15.746 -12.005 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.632 14.674 -10.946 1.00 0.00 H new ATOM 159 N SER A 14 -1.678 10.821 -10.311 1.00 0.00 N ATOM 160 CA SER A 14 -1.703 9.389 -10.583 1.00 0.00 C ATOM 161 C SER A 14 -0.971 9.070 -11.883 1.00 0.00 C ATOM 162 O SER A 14 -1.116 9.777 -12.880 1.00 0.00 O ATOM 163 CB SER A 14 -3.146 8.888 -10.662 1.00 0.00 C ATOM 164 OG SER A 14 -3.196 7.472 -10.666 1.00 0.00 O ATOM 0 H SER A 14 -2.596 11.265 -10.303 1.00 0.00 H new ATOM 0 HA SER A 14 -1.193 8.880 -9.765 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.714 9.272 -9.815 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.619 9.274 -11.565 1.00 0.00 H new ATOM 0 HG SER A 14 -4.129 7.178 -10.715 1.00 0.00 H new ATOM 170 N ALA A 15 -0.183 8.000 -11.864 1.00 0.00 N ATOM 171 CA ALA A 15 0.571 7.585 -13.040 1.00 0.00 C ATOM 172 C ALA A 15 -0.298 6.766 -13.989 1.00 0.00 C ATOM 173 O ALA A 15 -0.435 7.102 -15.165 1.00 0.00 O ATOM 174 CB ALA A 15 1.799 6.787 -12.626 1.00 0.00 C ATOM 0 H ALA A 15 -0.050 7.405 -11.046 1.00 0.00 H new ATOM 0 HA ALA A 15 0.895 8.482 -13.568 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.352 6.484 -13.515 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.438 7.404 -11.994 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.488 5.901 -12.073 1.00 0.00 H new ATOM 180 N GLU A 16 -0.884 5.692 -13.469 1.00 0.00 N ATOM 181 CA GLU A 16 -1.739 4.825 -14.272 1.00 0.00 C ATOM 182 C GLU A 16 -2.657 3.992 -13.383 1.00 0.00 C ATOM 183 O GLU A 16 -2.458 3.908 -12.171 1.00 0.00 O ATOM 184 CB GLU A 16 -0.889 3.905 -15.150 1.00 0.00 C ATOM 185 CG GLU A 16 -0.502 4.522 -16.484 1.00 0.00 C ATOM 186 CD GLU A 16 -1.687 5.125 -17.213 1.00 0.00 C ATOM 187 OE1 GLU A 16 -2.447 4.361 -17.844 1.00 0.00 O ATOM 188 OE2 GLU A 16 -1.853 6.361 -17.153 1.00 0.00 O ATOM 0 H GLU A 16 -0.783 5.402 -12.496 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.356 5.457 -14.911 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.017 3.635 -14.608 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.438 2.981 -15.332 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.249 5.294 -16.319 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.043 3.760 -17.113 1.00 0.00 H new ATOM 195 N THR A 17 -3.666 3.378 -13.994 1.00 0.00 N ATOM 196 CA THR A 17 -4.616 2.553 -13.260 1.00 0.00 C ATOM 197 C THR A 17 -4.016 1.194 -12.918 1.00 0.00 C ATOM 198 O THR A 17 -3.502 0.494 -13.790 1.00 0.00 O ATOM 199 CB THR A 17 -5.914 2.342 -14.062 1.00 0.00 C ATOM 200 OG1 THR A 17 -6.816 1.510 -13.324 1.00 0.00 O ATOM 201 CG2 THR A 17 -5.618 1.705 -15.412 1.00 0.00 C ATOM 0 H THR A 17 -3.846 3.437 -14.996 1.00 0.00 H new ATOM 0 HA THR A 17 -4.850 3.085 -12.338 1.00 0.00 H new ATOM 0 HB THR A 17 -6.374 3.316 -14.230 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.639 1.382 -13.840 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.550 1.566 -15.961 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.954 2.354 -15.983 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.138 0.738 -15.261 1.00 0.00 H new ATOM 209 N PHE A 18 -4.086 0.826 -11.643 1.00 0.00 N ATOM 210 CA PHE A 18 -3.549 -0.450 -11.186 1.00 0.00 C ATOM 211 C PHE A 18 -4.459 -1.078 -10.135 1.00 0.00 C ATOM 212 O PHE A 18 -4.888 -0.412 -9.193 1.00 0.00 O ATOM 213 CB PHE A 18 -2.143 -0.260 -10.612 1.00 0.00 C ATOM 214 CG PHE A 18 -1.053 -0.401 -11.635 1.00 0.00 C ATOM 215 CD1 PHE A 18 -0.937 0.510 -12.673 1.00 0.00 C ATOM 216 CD2 PHE A 18 -0.145 -1.445 -11.560 1.00 0.00 C ATOM 217 CE1 PHE A 18 0.065 0.381 -13.616 1.00 0.00 C ATOM 218 CE2 PHE A 18 0.859 -1.578 -12.500 1.00 0.00 C ATOM 219 CZ PHE A 18 0.965 -0.663 -13.529 1.00 0.00 C ATOM 0 H PHE A 18 -4.509 1.393 -10.908 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.496 -1.121 -12.043 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.076 0.728 -10.156 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.982 -0.990 -9.818 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.637 1.329 -12.746 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.223 -2.163 -10.757 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.144 1.097 -14.421 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.560 -2.397 -12.430 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.750 -0.764 -14.264 1.00 0.00 H new ATOM 229 N GLU A 19 -4.750 -2.364 -10.304 1.00 0.00 N ATOM 230 CA GLU A 19 -5.610 -3.082 -9.371 1.00 0.00 C ATOM 231 C GLU A 19 -4.896 -3.318 -8.043 1.00 0.00 C ATOM 232 O GLU A 19 -3.680 -3.157 -7.943 1.00 0.00 O ATOM 233 CB GLU A 19 -6.049 -4.419 -9.971 1.00 0.00 C ATOM 234 CG GLU A 19 -7.049 -4.278 -11.106 1.00 0.00 C ATOM 235 CD GLU A 19 -6.463 -3.577 -12.316 1.00 0.00 C ATOM 236 OE1 GLU A 19 -5.582 -4.168 -12.975 1.00 0.00 O ATOM 237 OE2 GLU A 19 -6.885 -2.438 -12.605 1.00 0.00 O ATOM 0 H GLU A 19 -4.403 -2.930 -11.078 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.492 -2.469 -9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.170 -4.950 -10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.488 -5.033 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.402 -5.267 -11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.917 -3.721 -10.753 1.00 0.00 H new ATOM 244 N SER A 20 -5.661 -3.700 -7.026 1.00 0.00 N ATOM 245 CA SER A 20 -5.103 -3.954 -5.703 1.00 0.00 C ATOM 246 C SER A 20 -4.826 -5.441 -5.506 1.00 0.00 C ATOM 247 O SER A 20 -5.155 -6.013 -4.467 1.00 0.00 O ATOM 248 CB SER A 20 -6.059 -3.454 -4.618 1.00 0.00 C ATOM 249 OG SER A 20 -6.189 -2.044 -4.663 1.00 0.00 O ATOM 0 H SER A 20 -6.669 -3.840 -7.093 1.00 0.00 H new ATOM 0 HA SER A 20 -4.160 -3.413 -5.624 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.037 -3.917 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.692 -3.757 -3.638 1.00 0.00 H new ATOM 0 HG SER A 20 -6.806 -1.750 -3.961 1.00 0.00 H new ATOM 255 N ASP A 21 -4.219 -6.061 -6.512 1.00 0.00 N ATOM 256 CA ASP A 21 -3.896 -7.482 -6.451 1.00 0.00 C ATOM 257 C ASP A 21 -2.394 -7.705 -6.592 1.00 0.00 C ATOM 258 O ASP A 21 -1.894 -7.970 -7.687 1.00 0.00 O ATOM 259 CB ASP A 21 -4.642 -8.244 -7.548 1.00 0.00 C ATOM 260 CG ASP A 21 -6.044 -8.640 -7.128 1.00 0.00 C ATOM 261 OD1 ASP A 21 -6.204 -9.142 -5.995 1.00 0.00 O ATOM 262 OD2 ASP A 21 -6.981 -8.446 -7.930 1.00 0.00 O ATOM 0 H ASP A 21 -3.941 -5.602 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.211 -7.859 -5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.695 -7.625 -8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.079 -9.139 -7.812 1.00 0.00 H new ATOM 267 N LEU A 22 -1.678 -7.594 -5.479 1.00 0.00 N ATOM 268 CA LEU A 22 -0.231 -7.782 -5.478 1.00 0.00 C ATOM 269 C LEU A 22 0.188 -8.777 -4.400 1.00 0.00 C ATOM 270 O LEU A 22 -0.642 -9.255 -3.626 1.00 0.00 O ATOM 271 CB LEU A 22 0.477 -6.444 -5.256 1.00 0.00 C ATOM 272 CG LEU A 22 0.811 -5.645 -6.516 1.00 0.00 C ATOM 273 CD1 LEU A 22 -0.436 -4.969 -7.065 1.00 0.00 C ATOM 274 CD2 LEU A 22 1.893 -4.616 -6.223 1.00 0.00 C ATOM 0 H LEU A 22 -2.075 -7.375 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 22 0.059 -8.183 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.150 -5.826 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.403 -6.631 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 22 1.188 -6.334 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.179 -4.405 -7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.181 -5.725 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.843 -4.292 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.118 -4.056 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.543 -3.930 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.793 -5.123 -5.877 1.00 0.00 H new ATOM 286 N ASP A 23 1.480 -9.082 -4.354 1.00 0.00 N ATOM 287 CA ASP A 23 2.010 -10.017 -3.369 1.00 0.00 C ATOM 288 C ASP A 23 2.443 -9.285 -2.102 1.00 0.00 C ATOM 289 O ASP A 23 3.445 -8.571 -2.099 1.00 0.00 O ATOM 290 CB ASP A 23 3.192 -10.792 -3.954 1.00 0.00 C ATOM 291 CG ASP A 23 3.324 -12.181 -3.361 1.00 0.00 C ATOM 292 OD1 ASP A 23 2.333 -12.941 -3.402 1.00 0.00 O ATOM 293 OD2 ASP A 23 4.418 -12.509 -2.857 1.00 0.00 O ATOM 0 H ASP A 23 2.180 -8.695 -4.987 1.00 0.00 H new ATOM 0 HA ASP A 23 1.218 -10.719 -3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.072 -10.871 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.112 -10.235 -3.776 1.00 0.00 H new ATOM 298 N GLU A 24 1.680 -9.467 -1.029 1.00 0.00 N ATOM 299 CA GLU A 24 1.984 -8.822 0.243 1.00 0.00 C ATOM 300 C GLU A 24 2.215 -9.859 1.338 1.00 0.00 C ATOM 301 O GLU A 24 1.945 -9.609 2.513 1.00 0.00 O ATOM 302 CB GLU A 24 0.848 -7.881 0.647 1.00 0.00 C ATOM 303 CG GLU A 24 1.287 -6.759 1.573 1.00 0.00 C ATOM 304 CD GLU A 24 0.128 -5.900 2.039 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.975 -6.449 2.242 1.00 0.00 O ATOM 306 OE2 GLU A 24 0.324 -4.677 2.200 1.00 0.00 O ATOM 0 H GLU A 24 0.847 -10.056 -1.015 1.00 0.00 H new ATOM 0 HA GLU A 24 2.899 -8.242 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.409 -7.448 -0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.065 -8.460 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.790 -7.185 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.015 -6.132 1.058 1.00 0.00 H new ATOM 313 N THR A 25 2.715 -11.026 0.944 1.00 0.00 N ATOM 314 CA THR A 25 2.980 -12.103 1.890 1.00 0.00 C ATOM 315 C THR A 25 4.474 -12.243 2.158 1.00 0.00 C ATOM 316 O THR A 25 4.882 -12.846 3.151 1.00 0.00 O ATOM 317 CB THR A 25 2.434 -13.449 1.377 1.00 0.00 C ATOM 318 OG1 THR A 25 2.595 -14.457 2.381 1.00 0.00 O ATOM 319 CG2 THR A 25 3.151 -13.874 0.104 1.00 0.00 C ATOM 0 H THR A 25 2.945 -11.249 -0.024 1.00 0.00 H new ATOM 0 HA THR A 25 2.470 -11.842 2.817 1.00 0.00 H new ATOM 0 HB THR A 25 1.374 -13.325 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.307 -14.192 3.000 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.749 -14.827 -0.239 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.002 -13.118 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.217 -13.982 0.305 1.00 0.00 H new ATOM 327 N ARG A 26 5.286 -11.681 1.268 1.00 0.00 N ATOM 328 CA ARG A 26 6.736 -11.745 1.410 1.00 0.00 C ATOM 329 C ARG A 26 7.350 -10.350 1.339 1.00 0.00 C ATOM 330 O ARG A 26 6.672 -9.377 1.008 1.00 0.00 O ATOM 331 CB ARG A 26 7.338 -12.635 0.321 1.00 0.00 C ATOM 332 CG ARG A 26 7.103 -12.116 -1.089 1.00 0.00 C ATOM 333 CD ARG A 26 7.980 -12.836 -2.101 1.00 0.00 C ATOM 334 NE ARG A 26 7.491 -12.668 -3.467 1.00 0.00 N ATOM 335 CZ ARG A 26 7.985 -13.325 -4.510 1.00 0.00 C ATOM 336 NH1 ARG A 26 8.976 -14.190 -4.345 1.00 0.00 N ATOM 337 NH2 ARG A 26 7.487 -13.117 -5.722 1.00 0.00 N ATOM 0 H ARG A 26 4.965 -11.177 0.442 1.00 0.00 H new ATOM 0 HA ARG A 26 6.962 -12.174 2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.411 -12.727 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.914 -13.636 0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.054 -12.247 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.309 -11.046 -1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.000 -12.457 -2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.018 -13.898 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 26 6.728 -12.010 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.361 -14.353 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.353 -14.693 -5.148 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.724 -12.452 -5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.867 -13.622 -6.523 1.00 0.00 H new ATOM 351 N VAL A 27 8.639 -10.259 1.652 1.00 0.00 N ATOM 352 CA VAL A 27 9.345 -8.984 1.623 1.00 0.00 C ATOM 353 C VAL A 27 10.024 -8.762 0.276 1.00 0.00 C ATOM 354 O VAL A 27 10.467 -9.701 -0.386 1.00 0.00 O ATOM 355 CB VAL A 27 10.404 -8.904 2.739 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.767 -9.147 4.099 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.525 -9.899 2.481 1.00 0.00 C ATOM 0 H VAL A 27 9.215 -11.054 1.929 1.00 0.00 H new ATOM 0 HA VAL A 27 8.599 -8.205 1.783 1.00 0.00 H new ATOM 0 HB VAL A 27 10.831 -7.901 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.531 -9.087 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.003 -8.392 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.311 -10.137 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.264 -9.829 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.116 -10.909 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.999 -9.673 1.526 1.00 0.00 H new ATOM 367 N PRO A 28 10.108 -7.490 -0.141 1.00 0.00 N ATOM 368 CA PRO A 28 10.733 -7.114 -1.412 1.00 0.00 C ATOM 369 C PRO A 28 12.245 -7.313 -1.397 1.00 0.00 C ATOM 370 O PRO A 28 12.980 -6.501 -0.836 1.00 0.00 O ATOM 371 CB PRO A 28 10.390 -5.628 -1.550 1.00 0.00 C ATOM 372 CG PRO A 28 10.185 -5.156 -0.152 1.00 0.00 C ATOM 373 CD PRO A 28 9.602 -6.321 0.598 1.00 0.00 C ATOM 0 HA PRO A 28 10.375 -7.727 -2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.195 -5.080 -2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.493 -5.483 -2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.127 -4.837 0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.513 -4.298 -0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.927 -6.332 1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.512 -6.290 0.604 1.00 0.00 H new ATOM 381 N GLU A 29 12.701 -8.397 -2.016 1.00 0.00 N ATOM 382 CA GLU A 29 14.126 -8.701 -2.072 1.00 0.00 C ATOM 383 C GLU A 29 14.915 -7.513 -2.617 1.00 0.00 C ATOM 384 O GLU A 29 14.338 -6.548 -3.118 1.00 0.00 O ATOM 385 CB GLU A 29 14.373 -9.934 -2.944 1.00 0.00 C ATOM 386 CG GLU A 29 13.777 -11.211 -2.375 1.00 0.00 C ATOM 387 CD GLU A 29 14.718 -11.920 -1.421 1.00 0.00 C ATOM 388 OE1 GLU A 29 14.711 -11.581 -0.219 1.00 0.00 O ATOM 389 OE2 GLU A 29 15.461 -12.814 -1.876 1.00 0.00 O ATOM 0 H GLU A 29 12.105 -9.079 -2.485 1.00 0.00 H new ATOM 0 HA GLU A 29 14.467 -8.908 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.954 -9.758 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.447 -10.069 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.849 -10.974 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.521 -11.884 -3.193 1.00 0.00 H new ATOM 396 N VAL A 30 16.238 -7.592 -2.514 1.00 0.00 N ATOM 397 CA VAL A 30 17.107 -6.525 -2.996 1.00 0.00 C ATOM 398 C VAL A 30 16.572 -5.924 -4.291 1.00 0.00 C ATOM 399 O VAL A 30 16.168 -6.632 -5.213 1.00 0.00 O ATOM 400 CB VAL A 30 18.541 -7.033 -3.233 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.541 -8.194 -4.216 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.432 -5.904 -3.728 1.00 0.00 C ATOM 0 H VAL A 30 16.731 -8.384 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 30 17.125 -5.757 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 30 18.942 -7.391 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.563 -8.540 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.939 -9.010 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 30 18.121 -7.866 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.442 -6.282 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 30 19.036 -5.512 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.458 -5.108 -2.984 1.00 0.00 H new ATOM 412 N PRO A 31 16.569 -4.585 -4.364 1.00 0.00 N ATOM 413 CA PRO A 31 16.088 -3.857 -5.543 1.00 0.00 C ATOM 414 C PRO A 31 17.015 -4.019 -6.742 1.00 0.00 C ATOM 415 O PRO A 31 18.038 -4.700 -6.661 1.00 0.00 O ATOM 416 CB PRO A 31 16.067 -2.400 -5.076 1.00 0.00 C ATOM 417 CG PRO A 31 17.078 -2.337 -3.984 1.00 0.00 C ATOM 418 CD PRO A 31 17.036 -3.677 -3.303 1.00 0.00 C ATOM 0 HA PRO A 31 15.119 -4.224 -5.882 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.320 -1.720 -5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.078 -2.114 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.072 -2.133 -4.383 1.00 0.00 H new ATOM 0 HG3 PRO A 31 16.846 -1.535 -3.283 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.017 -3.968 -2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.357 -3.673 -2.450 1.00 0.00 H new ATOM 426 N SER A 32 16.652 -3.389 -7.855 1.00 0.00 N ATOM 427 CA SER A 32 17.450 -3.466 -9.073 1.00 0.00 C ATOM 428 C SER A 32 18.910 -3.127 -8.787 1.00 0.00 C ATOM 429 O SER A 32 19.806 -3.932 -9.041 1.00 0.00 O ATOM 430 CB SER A 32 16.892 -2.515 -10.134 1.00 0.00 C ATOM 431 OG SER A 32 17.489 -1.234 -10.035 1.00 0.00 O ATOM 0 H SER A 32 15.810 -2.819 -7.938 1.00 0.00 H new ATOM 0 HA SER A 32 17.399 -4.488 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.071 -2.927 -11.127 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.812 -2.427 -10.016 1.00 0.00 H new ATOM 0 HG SER A 32 17.517 -0.817 -10.921 1.00 0.00 H new ATOM 437 N SER A 33 19.141 -1.930 -8.258 1.00 0.00 N ATOM 438 CA SER A 33 20.492 -1.482 -7.942 1.00 0.00 C ATOM 439 C SER A 33 20.459 -0.246 -7.048 1.00 0.00 C ATOM 440 O SER A 33 19.393 0.192 -6.613 1.00 0.00 O ATOM 441 CB SER A 33 21.265 -1.176 -9.226 1.00 0.00 C ATOM 442 OG SER A 33 20.623 -0.161 -9.978 1.00 0.00 O ATOM 0 H SER A 33 18.410 -1.253 -8.039 1.00 0.00 H new ATOM 0 HA SER A 33 20.998 -2.285 -7.405 1.00 0.00 H new ATOM 0 HB2 SER A 33 22.279 -0.863 -8.978 1.00 0.00 H new ATOM 0 HB3 SER A 33 21.349 -2.081 -9.828 1.00 0.00 H new ATOM 0 HG SER A 33 21.137 0.017 -10.793 1.00 0.00 H new ATOM 448 N LEU A 34 21.634 0.313 -6.779 1.00 0.00 N ATOM 449 CA LEU A 34 21.742 1.500 -5.937 1.00 0.00 C ATOM 450 C LEU A 34 22.991 2.303 -6.285 1.00 0.00 C ATOM 451 O LEU A 34 24.112 1.803 -6.182 1.00 0.00 O ATOM 452 CB LEU A 34 21.773 1.101 -4.460 1.00 0.00 C ATOM 453 CG LEU A 34 22.556 2.028 -3.531 1.00 0.00 C ATOM 454 CD1 LEU A 34 21.784 3.316 -3.287 1.00 0.00 C ATOM 455 CD2 LEU A 34 22.861 1.330 -2.214 1.00 0.00 C ATOM 0 H LEU A 34 22.525 -0.036 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 34 20.868 2.125 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 34 20.746 1.040 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.197 0.100 -4.384 1.00 0.00 H new ATOM 0 HG LEU A 34 23.501 2.280 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.357 3.964 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.617 3.826 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.824 3.083 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.419 2.005 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.928 1.048 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.455 0.436 -2.405 1.00 0.00 H new ATOM 467 N HIS A 35 22.791 3.551 -6.695 1.00 0.00 N ATOM 468 CA HIS A 35 23.902 4.425 -7.055 1.00 0.00 C ATOM 469 C HIS A 35 24.141 5.473 -5.973 1.00 0.00 C ATOM 470 O HIS A 35 23.212 5.889 -5.280 1.00 0.00 O ATOM 471 CB HIS A 35 23.625 5.111 -8.393 1.00 0.00 C ATOM 472 CG HIS A 35 24.521 6.280 -8.663 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.045 7.544 -8.941 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.871 6.373 -8.695 1.00 0.00 C ATOM 475 CE1 HIS A 35 25.063 8.364 -9.133 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.183 7.677 -8.990 1.00 0.00 N ATOM 0 H HIS A 35 21.870 3.980 -6.786 1.00 0.00 H new ATOM 0 HA HIS A 35 24.799 3.813 -7.148 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.740 4.383 -9.196 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.588 5.446 -8.412 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.572 5.570 -8.521 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.992 9.416 -9.367 1.00 0.00 H new ATOM 0 HE2 HIS A 35 27.126 8.054 -9.084 1.00 0.00 H new ATOM 485 N VAL A 36 25.394 5.896 -5.832 1.00 0.00 N ATOM 486 CA VAL A 36 25.755 6.896 -4.835 1.00 0.00 C ATOM 487 C VAL A 36 26.735 7.914 -5.407 1.00 0.00 C ATOM 488 O VAL A 36 27.665 7.557 -6.131 1.00 0.00 O ATOM 489 CB VAL A 36 26.380 6.244 -3.587 1.00 0.00 C ATOM 490 CG1 VAL A 36 25.327 5.481 -2.799 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.528 5.328 -3.984 1.00 0.00 C ATOM 0 H VAL A 36 26.175 5.561 -6.396 1.00 0.00 H new ATOM 0 HA VAL A 36 24.834 7.404 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 36 26.778 7.032 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.787 5.027 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.541 6.167 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.897 4.701 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.958 4.876 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 36 27.157 4.545 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.293 5.907 -4.502 1.00 0.00 H new ATOM 501 N ARG A 37 26.521 9.184 -5.078 1.00 0.00 N ATOM 502 CA ARG A 37 27.386 10.254 -5.560 1.00 0.00 C ATOM 503 C ARG A 37 27.948 11.065 -4.396 1.00 0.00 C ATOM 504 O ARG A 37 27.236 11.814 -3.727 1.00 0.00 O ATOM 505 CB ARG A 37 26.614 11.173 -6.509 1.00 0.00 C ATOM 506 CG ARG A 37 27.482 12.230 -7.173 1.00 0.00 C ATOM 507 CD ARG A 37 26.640 13.258 -7.911 1.00 0.00 C ATOM 508 NE ARG A 37 27.377 13.887 -9.004 1.00 0.00 N ATOM 509 CZ ARG A 37 26.794 14.451 -10.056 1.00 0.00 C ATOM 510 NH1 ARG A 37 25.472 14.464 -10.157 1.00 0.00 N ATOM 511 NH2 ARG A 37 27.534 15.003 -11.009 1.00 0.00 N ATOM 0 H ARG A 37 25.756 9.497 -4.480 1.00 0.00 H new ATOM 0 HA ARG A 37 28.217 9.800 -6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 37 26.139 10.568 -7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.816 11.666 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.090 12.730 -6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 37 28.169 11.752 -7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 37 25.745 12.777 -8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 37 26.307 14.024 -7.211 1.00 0.00 H new ATOM 0 HE ARG A 37 28.396 13.894 -8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 37 24.900 14.040 -9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 37 25.027 14.898 -10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 37 28.551 14.994 -10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 37 27.086 15.436 -11.816 1.00 0.00 H new ATOM 525 N PRO A 38 29.257 10.912 -4.146 1.00 0.00 N ATOM 526 CA PRO A 38 29.944 11.622 -3.063 1.00 0.00 C ATOM 527 C PRO A 38 30.071 13.116 -3.337 1.00 0.00 C ATOM 528 O PRO A 38 30.546 13.526 -4.397 1.00 0.00 O ATOM 529 CB PRO A 38 31.327 10.965 -3.030 1.00 0.00 C ATOM 530 CG PRO A 38 31.529 10.440 -4.409 1.00 0.00 C ATOM 531 CD PRO A 38 30.167 10.036 -4.903 1.00 0.00 C ATOM 0 HA PRO A 38 29.400 11.552 -2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.101 11.685 -2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.368 10.164 -2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.969 11.200 -5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.211 9.590 -4.407 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.068 10.187 -5.978 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.965 8.983 -4.709 1.00 0.00 H new ATOM 539 N LEU A 39 29.643 13.927 -2.376 1.00 0.00 N ATOM 540 CA LEU A 39 29.709 15.378 -2.513 1.00 0.00 C ATOM 541 C LEU A 39 30.542 15.994 -1.394 1.00 0.00 C ATOM 542 O LEU A 39 30.666 15.422 -0.311 1.00 0.00 O ATOM 543 CB LEU A 39 28.301 15.976 -2.504 1.00 0.00 C ATOM 544 CG LEU A 39 27.622 16.113 -3.868 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.987 14.795 -4.284 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.579 17.222 -3.834 1.00 0.00 C ATOM 0 H LEU A 39 29.246 13.605 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 39 30.188 15.606 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.669 15.358 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.350 16.963 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 39 28.380 16.375 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.509 14.912 -5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.756 14.025 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.240 14.502 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.105 17.306 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 39 25.823 16.988 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.061 18.167 -3.581 1.00 0.00 H new ATOM 558 N VAL A 40 31.109 17.166 -1.662 1.00 0.00 N ATOM 559 CA VAL A 40 31.928 17.862 -0.676 1.00 0.00 C ATOM 560 C VAL A 40 31.464 17.550 0.742 1.00 0.00 C ATOM 561 O VAL A 40 32.134 16.828 1.482 1.00 0.00 O ATOM 562 CB VAL A 40 31.892 19.387 -0.892 1.00 0.00 C ATOM 563 CG1 VAL A 40 32.757 20.093 0.140 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.339 19.735 -2.304 1.00 0.00 C ATOM 0 H VAL A 40 31.016 17.653 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 40 32.951 17.508 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 40 30.865 19.731 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 40 32.719 21.169 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.386 19.869 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 40 33.787 19.748 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.308 20.816 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.357 19.379 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.673 19.260 -3.024 1.00 0.00 H new ATOM 574 N THR A 41 30.313 18.099 1.117 1.00 0.00 N ATOM 575 CA THR A 41 29.759 17.880 2.447 1.00 0.00 C ATOM 576 C THR A 41 28.392 17.208 2.370 1.00 0.00 C ATOM 577 O THR A 41 27.575 17.336 3.282 1.00 0.00 O ATOM 578 CB THR A 41 29.625 19.203 3.225 1.00 0.00 C ATOM 579 OG1 THR A 41 28.931 20.170 2.430 1.00 0.00 O ATOM 580 CG2 THR A 41 30.994 19.743 3.612 1.00 0.00 C ATOM 0 H THR A 41 29.746 18.699 0.518 1.00 0.00 H new ATOM 0 HA THR A 41 30.453 17.226 2.974 1.00 0.00 H new ATOM 0 HB THR A 41 29.058 19.009 4.136 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.848 21.008 2.932 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.875 20.677 4.160 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.507 19.016 4.241 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.582 19.923 2.712 1.00 0.00 H new ATOM 588 N SER A 42 28.150 16.493 1.276 1.00 0.00 N ATOM 589 CA SER A 42 26.880 15.804 1.079 1.00 0.00 C ATOM 590 C SER A 42 27.076 14.527 0.267 1.00 0.00 C ATOM 591 O SER A 42 28.197 14.181 -0.105 1.00 0.00 O ATOM 592 CB SER A 42 25.882 16.723 0.373 1.00 0.00 C ATOM 593 OG SER A 42 26.459 17.315 -0.778 1.00 0.00 O ATOM 0 H SER A 42 28.816 16.376 0.513 1.00 0.00 H new ATOM 0 HA SER A 42 26.484 15.534 2.058 1.00 0.00 H new ATOM 0 HB2 SER A 42 24.997 16.154 0.088 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.552 17.502 1.060 1.00 0.00 H new ATOM 0 HG SER A 42 25.863 18.013 -1.121 1.00 0.00 H new ATOM 599 N ILE A 43 25.976 13.832 -0.003 1.00 0.00 N ATOM 600 CA ILE A 43 26.026 12.594 -0.771 1.00 0.00 C ATOM 601 C ILE A 43 24.664 12.266 -1.374 1.00 0.00 C ATOM 602 O ILE A 43 23.734 11.884 -0.664 1.00 0.00 O ATOM 603 CB ILE A 43 26.488 11.410 0.098 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.870 11.693 0.691 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.510 10.128 -0.721 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.419 10.550 1.516 1.00 0.00 C ATOM 0 H ILE A 43 25.040 14.105 0.298 1.00 0.00 H new ATOM 0 HA ILE A 43 26.748 12.749 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 43 25.781 11.282 0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.566 11.913 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.813 12.586 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.839 9.300 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.509 9.921 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.198 10.243 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.401 10.821 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.744 10.344 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.508 9.661 0.892 1.00 0.00 H new ATOM 618 N VAL A 44 24.554 12.417 -2.691 1.00 0.00 N ATOM 619 CA VAL A 44 23.306 12.135 -3.391 1.00 0.00 C ATOM 620 C VAL A 44 23.109 10.635 -3.579 1.00 0.00 C ATOM 621 O VAL A 44 23.616 10.047 -4.535 1.00 0.00 O ATOM 622 CB VAL A 44 23.267 12.824 -4.768 1.00 0.00 C ATOM 623 CG1 VAL A 44 21.984 12.472 -5.504 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.407 14.331 -4.613 1.00 0.00 C ATOM 0 H VAL A 44 25.314 12.733 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 44 22.500 12.530 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 44 24.108 12.463 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 44 21.974 12.968 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 44 21.931 11.393 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.126 12.803 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.377 14.802 -5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.588 14.712 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.356 14.560 -4.129 1.00 0.00 H new ATOM 634 N VAL A 45 22.369 10.021 -2.662 1.00 0.00 N ATOM 635 CA VAL A 45 22.103 8.588 -2.727 1.00 0.00 C ATOM 636 C VAL A 45 20.907 8.292 -3.624 1.00 0.00 C ATOM 637 O VAL A 45 19.757 8.459 -3.218 1.00 0.00 O ATOM 638 CB VAL A 45 21.840 8.002 -1.328 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.617 6.500 -1.411 1.00 0.00 C ATOM 640 CG2 VAL A 45 22.991 8.327 -0.388 1.00 0.00 C ATOM 0 H VAL A 45 21.943 10.493 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 45 22.993 8.119 -3.147 1.00 0.00 H new ATOM 0 HB VAL A 45 20.935 8.458 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.433 6.104 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.756 6.295 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.502 6.024 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.787 7.905 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.914 7.901 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.098 9.408 -0.304 1.00 0.00 H new ATOM 650 N SER A 46 21.186 7.851 -4.847 1.00 0.00 N ATOM 651 CA SER A 46 20.132 7.534 -5.804 1.00 0.00 C ATOM 652 C SER A 46 19.949 6.025 -5.930 1.00 0.00 C ATOM 653 O SER A 46 20.905 5.291 -6.182 1.00 0.00 O ATOM 654 CB SER A 46 20.458 8.136 -7.172 1.00 0.00 C ATOM 655 OG SER A 46 21.452 7.376 -7.839 1.00 0.00 O ATOM 0 H SER A 46 22.132 7.705 -5.198 1.00 0.00 H new ATOM 0 HA SER A 46 19.201 7.966 -5.438 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.555 8.174 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 46 20.802 9.163 -7.048 1.00 0.00 H new ATOM 0 HG SER A 46 22.225 7.947 -8.033 1.00 0.00 H new ATOM 661 N TRP A 47 18.714 5.568 -5.753 1.00 0.00 N ATOM 662 CA TRP A 47 18.404 4.146 -5.847 1.00 0.00 C ATOM 663 C TRP A 47 17.273 3.900 -6.838 1.00 0.00 C ATOM 664 O TRP A 47 16.802 4.824 -7.501 1.00 0.00 O ATOM 665 CB TRP A 47 18.024 3.594 -4.472 1.00 0.00 C ATOM 666 CG TRP A 47 16.819 4.259 -3.878 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.514 3.892 -4.045 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.808 5.407 -3.022 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.693 4.743 -3.346 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.463 5.681 -2.709 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.805 6.229 -2.488 1.00 0.00 C ATOM 672 CZ2 TRP A 47 15.091 6.742 -1.888 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.434 7.282 -1.674 1.00 0.00 C ATOM 674 CH2 TRP A 47 16.087 7.531 -1.379 1.00 0.00 C ATOM 0 H TRP A 47 17.911 6.162 -5.544 1.00 0.00 H new ATOM 0 HA TRP A 47 19.294 3.628 -6.205 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.835 2.524 -4.558 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.869 3.715 -3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.177 3.056 -4.639 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.675 4.686 -3.307 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.846 6.044 -2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 14.053 6.936 -1.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 18.196 7.925 -1.258 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.830 8.361 -0.738 1.00 0.00 H new ATOM 685 N THR A 48 16.838 2.647 -6.935 1.00 0.00 N ATOM 686 CA THR A 48 15.762 2.279 -7.846 1.00 0.00 C ATOM 687 C THR A 48 14.905 1.162 -7.263 1.00 0.00 C ATOM 688 O THR A 48 15.342 0.396 -6.403 1.00 0.00 O ATOM 689 CB THR A 48 16.312 1.828 -9.213 1.00 0.00 C ATOM 690 OG1 THR A 48 17.536 1.106 -9.034 1.00 0.00 O ATOM 691 CG2 THR A 48 16.552 3.025 -10.121 1.00 0.00 C ATOM 0 H THR A 48 17.215 1.870 -6.393 1.00 0.00 H new ATOM 0 HA THR A 48 15.148 3.169 -7.985 1.00 0.00 H new ATOM 0 HB THR A 48 15.572 1.179 -9.682 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.459 0.223 -9.452 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.940 2.682 -11.080 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.613 3.556 -10.278 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.275 3.695 -9.656 1.00 0.00 H new ATOM 699 N PRO A 49 13.655 1.064 -7.739 1.00 0.00 N ATOM 700 CA PRO A 49 12.711 0.041 -7.279 1.00 0.00 C ATOM 701 C PRO A 49 13.101 -1.359 -7.740 1.00 0.00 C ATOM 702 O PRO A 49 13.878 -1.535 -8.679 1.00 0.00 O ATOM 703 CB PRO A 49 11.388 0.466 -7.921 1.00 0.00 C ATOM 704 CG PRO A 49 11.784 1.247 -9.126 1.00 0.00 C ATOM 705 CD PRO A 49 13.068 1.943 -8.764 1.00 0.00 C ATOM 0 HA PRO A 49 12.674 -0.019 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.783 -0.400 -8.192 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.792 1.070 -7.237 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.924 0.593 -9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.012 1.968 -9.395 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.725 2.048 -9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.886 2.946 -8.377 1.00 0.00 H new ATOM 713 N PRO A 50 12.551 -2.380 -7.067 1.00 0.00 N ATOM 714 CA PRO A 50 12.827 -3.782 -7.391 1.00 0.00 C ATOM 715 C PRO A 50 12.213 -4.201 -8.722 1.00 0.00 C ATOM 716 O PRO A 50 11.112 -3.775 -9.069 1.00 0.00 O ATOM 717 CB PRO A 50 12.175 -4.548 -6.237 1.00 0.00 C ATOM 718 CG PRO A 50 11.102 -3.643 -5.739 1.00 0.00 C ATOM 719 CD PRO A 50 11.616 -2.243 -5.937 1.00 0.00 C ATOM 0 HA PRO A 50 13.895 -3.973 -7.498 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.765 -5.499 -6.575 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.898 -4.773 -5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.174 -3.799 -6.288 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.887 -3.835 -4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.809 -1.547 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.117 -1.869 -5.044 1.00 0.00 H new ATOM 727 N GLU A 51 12.931 -5.039 -9.463 1.00 0.00 N ATOM 728 CA GLU A 51 12.456 -5.514 -10.757 1.00 0.00 C ATOM 729 C GLU A 51 11.033 -6.055 -10.648 1.00 0.00 C ATOM 730 O GLU A 51 10.169 -5.728 -11.461 1.00 0.00 O ATOM 731 CB GLU A 51 13.386 -6.601 -11.299 1.00 0.00 C ATOM 732 CG GLU A 51 14.722 -6.070 -11.790 1.00 0.00 C ATOM 733 CD GLU A 51 14.572 -4.879 -12.716 1.00 0.00 C ATOM 734 OE1 GLU A 51 14.494 -3.740 -12.209 1.00 0.00 O ATOM 735 OE2 GLU A 51 14.531 -5.085 -13.947 1.00 0.00 O ATOM 0 H GLU A 51 13.844 -5.403 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 51 12.454 -4.670 -11.447 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.563 -7.339 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.887 -7.119 -12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.332 -5.785 -10.933 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.256 -6.865 -12.311 1.00 0.00 H new ATOM 742 N ASN A 52 10.797 -6.885 -9.637 1.00 0.00 N ATOM 743 CA ASN A 52 9.480 -7.473 -9.421 1.00 0.00 C ATOM 744 C ASN A 52 8.580 -6.519 -8.642 1.00 0.00 C ATOM 745 O ASN A 52 8.652 -6.446 -7.415 1.00 0.00 O ATOM 746 CB ASN A 52 9.607 -8.800 -8.670 1.00 0.00 C ATOM 747 CG ASN A 52 8.501 -9.774 -9.026 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.988 -9.766 -10.145 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.128 -10.619 -8.072 1.00 0.00 N ATOM 0 H ASN A 52 11.501 -7.166 -8.954 1.00 0.00 H new ATOM 0 HA ASN A 52 9.028 -7.657 -10.395 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.572 -9.252 -8.897 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.589 -8.610 -7.597 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.388 -11.298 -8.252 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.581 -10.590 -7.159 1.00 0.00 H new ATOM 756 N GLN A 53 7.733 -5.792 -9.362 1.00 0.00 N ATOM 757 CA GLN A 53 6.819 -4.843 -8.738 1.00 0.00 C ATOM 758 C GLN A 53 5.710 -5.570 -7.984 1.00 0.00 C ATOM 759 O GLN A 53 5.258 -5.115 -6.934 1.00 0.00 O ATOM 760 CB GLN A 53 6.211 -3.917 -9.794 1.00 0.00 C ATOM 761 CG GLN A 53 7.115 -2.756 -10.177 1.00 0.00 C ATOM 762 CD GLN A 53 7.747 -2.086 -8.973 1.00 0.00 C ATOM 763 OE1 GLN A 53 8.968 -2.089 -8.816 1.00 0.00 O ATOM 764 NE2 GLN A 53 6.916 -1.505 -8.115 1.00 0.00 N ATOM 0 H GLN A 53 7.660 -5.842 -10.378 1.00 0.00 H new ATOM 0 HA GLN A 53 7.387 -4.246 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.982 -4.499 -10.687 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.266 -3.523 -9.419 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.900 -3.116 -10.841 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.537 -2.020 -10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.910 -1.527 -8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.283 -1.037 -7.286 1.00 0.00 H new ATOM 773 N ASN A 54 5.276 -6.703 -8.527 1.00 0.00 N ATOM 774 CA ASN A 54 4.220 -7.493 -7.906 1.00 0.00 C ATOM 775 C ASN A 54 4.318 -7.432 -6.385 1.00 0.00 C ATOM 776 O ASN A 54 3.307 -7.317 -5.692 1.00 0.00 O ATOM 777 CB ASN A 54 4.298 -8.947 -8.376 1.00 0.00 C ATOM 778 CG ASN A 54 3.481 -9.193 -9.630 1.00 0.00 C ATOM 779 OD1 ASN A 54 2.587 -10.039 -9.645 1.00 0.00 O ATOM 780 ND2 ASN A 54 3.786 -8.454 -10.690 1.00 0.00 N ATOM 0 H ASN A 54 5.640 -7.094 -9.396 1.00 0.00 H new ATOM 0 HA ASN A 54 3.261 -7.072 -8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.339 -9.209 -8.566 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.944 -9.603 -7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.271 -8.576 -11.562 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.535 -7.764 -10.632 1.00 0.00 H new ATOM 787 N ILE A 55 5.542 -7.511 -5.873 1.00 0.00 N ATOM 788 CA ILE A 55 5.772 -7.464 -4.435 1.00 0.00 C ATOM 789 C ILE A 55 5.474 -6.077 -3.876 1.00 0.00 C ATOM 790 O ILE A 55 5.939 -5.068 -4.406 1.00 0.00 O ATOM 791 CB ILE A 55 7.223 -7.845 -4.084 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.583 -9.195 -4.707 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.410 -7.884 -2.575 1.00 0.00 C ATOM 794 CD1 ILE A 55 9.056 -9.528 -4.618 1.00 0.00 C ATOM 0 H ILE A 55 6.389 -7.608 -6.433 1.00 0.00 H new ATOM 0 HA ILE A 55 5.095 -8.189 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 55 7.892 -7.088 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.011 -9.979 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.281 -9.195 -5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.440 -8.155 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.189 -6.902 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.735 -8.623 -2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.238 -10.499 -5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.634 -8.764 -5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.359 -9.561 -3.571 1.00 0.00 H new ATOM 806 N VAL A 56 4.696 -6.034 -2.799 1.00 0.00 N ATOM 807 CA VAL A 56 4.337 -4.771 -2.164 1.00 0.00 C ATOM 808 C VAL A 56 5.564 -4.082 -1.579 1.00 0.00 C ATOM 809 O VAL A 56 6.468 -4.736 -1.059 1.00 0.00 O ATOM 810 CB VAL A 56 3.297 -4.979 -1.047 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.972 -3.658 -0.367 1.00 0.00 C ATOM 812 CG2 VAL A 56 2.038 -5.625 -1.606 1.00 0.00 C ATOM 0 H VAL A 56 4.302 -6.860 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 56 3.904 -4.139 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 56 3.721 -5.650 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.236 -3.825 0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.880 -3.240 0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.568 -2.961 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.314 -5.765 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.609 -4.981 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.288 -6.592 -2.042 1.00 0.00 H new ATOM 822 N VAL A 57 5.590 -2.756 -1.667 1.00 0.00 N ATOM 823 CA VAL A 57 6.706 -1.976 -1.145 1.00 0.00 C ATOM 824 C VAL A 57 6.217 -0.693 -0.481 1.00 0.00 C ATOM 825 O VAL A 57 5.692 0.200 -1.146 1.00 0.00 O ATOM 826 CB VAL A 57 7.708 -1.616 -2.258 1.00 0.00 C ATOM 827 CG1 VAL A 57 8.824 -0.739 -1.708 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.274 -2.877 -2.893 1.00 0.00 C ATOM 0 H VAL A 57 4.850 -2.199 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 57 7.207 -2.597 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 57 7.182 -1.053 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.523 -0.495 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.399 0.180 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.351 -1.273 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.980 -2.604 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.786 -3.469 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.462 -3.463 -3.324 1.00 0.00 H new ATOM 838 N ARG A 58 6.395 -0.609 0.833 1.00 0.00 N ATOM 839 CA ARG A 58 5.972 0.565 1.587 1.00 0.00 C ATOM 840 C ARG A 58 7.015 1.674 1.497 1.00 0.00 C ATOM 841 O ARG A 58 6.676 2.852 1.395 1.00 0.00 O ATOM 842 CB ARG A 58 5.729 0.196 3.052 1.00 0.00 C ATOM 843 CG ARG A 58 4.349 -0.387 3.312 1.00 0.00 C ATOM 844 CD ARG A 58 3.286 0.699 3.366 1.00 0.00 C ATOM 845 NE ARG A 58 2.722 0.978 2.048 1.00 0.00 N ATOM 846 CZ ARG A 58 1.829 1.934 1.818 1.00 0.00 C ATOM 847 NH1 ARG A 58 1.402 2.700 2.813 1.00 0.00 N ATOM 848 NH2 ARG A 58 1.362 2.127 0.591 1.00 0.00 N ATOM 0 H ARG A 58 6.829 -1.339 1.397 1.00 0.00 H new ATOM 0 HA ARG A 58 5.041 0.929 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.484 -0.525 3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.861 1.085 3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.101 -1.102 2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.357 -0.937 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.489 0.393 4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.720 1.611 3.775 1.00 0.00 H new ATOM 0 HE ARG A 58 3.031 0.407 1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.759 2.556 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.716 3.433 2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.689 1.541 -0.177 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.676 2.862 0.416 1.00 0.00 H new ATOM 862 N GLY A 59 8.287 1.288 1.537 1.00 0.00 N ATOM 863 CA GLY A 59 9.361 2.262 1.460 1.00 0.00 C ATOM 864 C GLY A 59 10.732 1.616 1.477 1.00 0.00 C ATOM 865 O GLY A 59 10.852 0.396 1.363 1.00 0.00 O ATOM 0 H GLY A 59 8.593 0.319 1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.251 2.849 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.279 2.955 2.297 1.00 0.00 H new ATOM 869 N TYR A 60 11.768 2.435 1.618 1.00 0.00 N ATOM 870 CA TYR A 60 13.138 1.936 1.645 1.00 0.00 C ATOM 871 C TYR A 60 13.928 2.575 2.783 1.00 0.00 C ATOM 872 O TYR A 60 13.655 3.706 3.184 1.00 0.00 O ATOM 873 CB TYR A 60 13.830 2.214 0.309 1.00 0.00 C ATOM 874 CG TYR A 60 12.986 1.862 -0.895 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.128 2.794 -1.464 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.049 0.596 -1.465 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.355 2.477 -2.563 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.280 0.270 -2.566 1.00 0.00 C ATOM 879 CZ TYR A 60 11.435 1.213 -3.111 1.00 0.00 C ATOM 880 OH TYR A 60 10.667 0.893 -4.207 1.00 0.00 O ATOM 0 H TYR A 60 11.686 3.447 1.715 1.00 0.00 H new ATOM 0 HA TYR A 60 13.103 0.859 1.811 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.096 3.270 0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.761 1.649 0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.064 3.785 -1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.710 -0.145 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.692 3.214 -2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.341 -0.718 -2.997 1.00 0.00 H new ATOM 0 HH TYR A 60 10.842 -0.035 -4.470 1.00 0.00 H new ATOM 890 N ALA A 61 14.910 1.842 3.297 1.00 0.00 N ATOM 891 CA ALA A 61 15.742 2.337 4.387 1.00 0.00 C ATOM 892 C ALA A 61 17.172 2.584 3.917 1.00 0.00 C ATOM 893 O ALA A 61 17.780 1.728 3.273 1.00 0.00 O ATOM 894 CB ALA A 61 15.729 1.355 5.549 1.00 0.00 C ATOM 0 H ALA A 61 15.149 0.904 2.976 1.00 0.00 H new ATOM 0 HA ALA A 61 15.328 3.287 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.354 1.738 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.708 1.231 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.116 0.392 5.216 1.00 0.00 H new ATOM 900 N ILE A 62 17.702 3.758 4.241 1.00 0.00 N ATOM 901 CA ILE A 62 19.060 4.116 3.852 1.00 0.00 C ATOM 902 C ILE A 62 19.988 4.148 5.062 1.00 0.00 C ATOM 903 O ILE A 62 19.640 4.691 6.110 1.00 0.00 O ATOM 904 CB ILE A 62 19.102 5.487 3.151 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.243 5.462 1.885 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.536 5.868 2.817 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.639 6.805 1.538 1.00 0.00 C ATOM 0 H ILE A 62 17.212 4.478 4.772 1.00 0.00 H new ATOM 0 HA ILE A 62 19.401 3.350 3.155 1.00 0.00 H new ATOM 0 HB ILE A 62 18.696 6.238 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.853 5.120 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.442 4.735 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.549 6.839 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.122 5.921 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 62 20.967 5.117 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.043 6.712 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.003 7.140 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.435 7.531 1.377 1.00 0.00 H new ATOM 919 N GLY A 63 21.172 3.564 4.908 1.00 0.00 N ATOM 920 CA GLY A 63 22.133 3.538 5.995 1.00 0.00 C ATOM 921 C GLY A 63 23.511 3.999 5.562 1.00 0.00 C ATOM 922 O GLY A 63 23.988 3.630 4.489 1.00 0.00 O ATOM 0 H GLY A 63 21.483 3.108 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.778 4.175 6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.200 2.525 6.392 1.00 0.00 H new ATOM 926 N TYR A 64 24.151 4.810 6.397 1.00 0.00 N ATOM 927 CA TYR A 64 25.480 5.326 6.093 1.00 0.00 C ATOM 928 C TYR A 64 26.333 5.413 7.356 1.00 0.00 C ATOM 929 O TYR A 64 25.831 5.713 8.438 1.00 0.00 O ATOM 930 CB TYR A 64 25.377 6.705 5.438 1.00 0.00 C ATOM 931 CG TYR A 64 24.629 7.718 6.274 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.276 7.558 6.549 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.273 8.837 6.788 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.587 8.481 7.311 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.593 9.765 7.552 1.00 0.00 C ATOM 936 CZ TYR A 64 23.250 9.583 7.811 1.00 0.00 C ATOM 937 OH TYR A 64 22.569 10.505 8.571 1.00 0.00 O ATOM 0 H TYR A 64 23.771 5.124 7.290 1.00 0.00 H new ATOM 0 HA TYR A 64 25.960 4.636 5.399 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.381 7.080 5.240 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.879 6.604 4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.754 6.696 6.160 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.324 8.984 6.586 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.536 8.341 7.514 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.110 10.628 7.945 1.00 0.00 H new ATOM 0 HH TYR A 64 23.182 11.219 8.846 1.00 0.00 H new ATOM 947 N GLY A 65 27.627 5.149 7.207 1.00 0.00 N ATOM 948 CA GLY A 65 28.530 5.203 8.341 1.00 0.00 C ATOM 949 C GLY A 65 29.943 4.792 7.978 1.00 0.00 C ATOM 950 O GLY A 65 30.150 3.774 7.315 1.00 0.00 O ATOM 0 H GLY A 65 28.066 4.899 6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.542 6.216 8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.157 4.550 9.130 1.00 0.00 H new ATOM 954 N ILE A 66 30.918 5.584 8.410 1.00 0.00 N ATOM 955 CA ILE A 66 32.319 5.297 8.125 1.00 0.00 C ATOM 956 C ILE A 66 32.733 3.949 8.707 1.00 0.00 C ATOM 957 O ILE A 66 32.921 3.815 9.915 1.00 0.00 O ATOM 958 CB ILE A 66 33.244 6.392 8.687 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.903 7.747 8.065 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.701 6.037 8.431 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.348 8.926 8.901 1.00 0.00 C ATOM 0 H ILE A 66 30.764 6.430 8.959 1.00 0.00 H new ATOM 0 HA ILE A 66 32.421 5.269 7.040 1.00 0.00 H new ATOM 0 HB ILE A 66 33.090 6.459 9.764 1.00 0.00 H new ATOM 0 HG12 ILE A 66 33.368 7.813 7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 66 31.825 7.807 7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.343 6.821 8.834 1.00 0.00 H new ATOM 0 HG22 ILE A 66 34.936 5.090 8.917 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.870 5.946 7.358 1.00 0.00 H new ATOM 0 HD11 ILE A 66 33.073 9.853 8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 66 32.863 8.884 9.876 1.00 0.00 H new ATOM 0 HD13 ILE A 66 34.430 8.891 9.032 1.00 0.00 H new ATOM 973 N GLY A 67 32.874 2.954 7.837 1.00 0.00 N ATOM 974 CA GLY A 67 33.267 1.630 8.283 1.00 0.00 C ATOM 975 C GLY A 67 32.118 0.642 8.249 1.00 0.00 C ATOM 976 O GLY A 67 32.297 -0.516 7.872 1.00 0.00 O ATOM 0 H GLY A 67 32.723 3.041 6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 67 34.077 1.263 7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.658 1.693 9.299 1.00 0.00 H new ATOM 980 N SER A 68 30.934 1.099 8.646 1.00 0.00 N ATOM 981 CA SER A 68 29.752 0.246 8.664 1.00 0.00 C ATOM 982 C SER A 68 28.477 1.083 8.631 1.00 0.00 C ATOM 983 O SER A 68 28.384 2.143 9.250 1.00 0.00 O ATOM 984 CB SER A 68 29.759 -0.643 9.909 1.00 0.00 C ATOM 985 OG SER A 68 28.864 -1.732 9.763 1.00 0.00 O ATOM 0 H SER A 68 30.768 2.055 8.959 1.00 0.00 H new ATOM 0 HA SER A 68 29.775 -0.384 7.775 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.767 -1.018 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 68 29.480 -0.053 10.782 1.00 0.00 H new ATOM 0 HG SER A 68 29.223 -2.365 9.107 1.00 0.00 H new ATOM 991 N PRO A 69 27.471 0.597 7.889 1.00 0.00 N ATOM 992 CA PRO A 69 26.182 1.283 7.756 1.00 0.00 C ATOM 993 C PRO A 69 25.374 1.255 9.049 1.00 0.00 C ATOM 994 O PRO A 69 24.247 1.749 9.100 1.00 0.00 O ATOM 995 CB PRO A 69 25.468 0.487 6.661 1.00 0.00 C ATOM 996 CG PRO A 69 26.080 -0.870 6.719 1.00 0.00 C ATOM 997 CD PRO A 69 27.513 -0.661 7.124 1.00 0.00 C ATOM 0 HA PRO A 69 26.305 2.340 7.522 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.393 0.445 6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.611 0.944 5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.559 -1.502 7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 69 26.017 -1.368 5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 69 27.884 -1.488 7.730 1.00 0.00 H new ATOM 0 HD3 PRO A 69 28.168 -0.582 6.257 1.00 0.00 H new ATOM 1005 N HIS A 70 25.957 0.674 10.093 1.00 0.00 N ATOM 1006 CA HIS A 70 25.290 0.582 11.387 1.00 0.00 C ATOM 1007 C HIS A 70 25.541 1.837 12.218 1.00 0.00 C ATOM 1008 O HIS A 70 25.783 1.758 13.422 1.00 0.00 O ATOM 1009 CB HIS A 70 25.775 -0.652 12.148 1.00 0.00 C ATOM 1010 CG HIS A 70 25.034 -1.905 11.792 1.00 0.00 C ATOM 1011 ND1 HIS A 70 23.666 -2.029 11.909 1.00 0.00 N ATOM 1012 CD2 HIS A 70 25.479 -3.092 11.318 1.00 0.00 C ATOM 1013 CE1 HIS A 70 23.301 -3.239 11.523 1.00 0.00 C ATOM 1014 NE2 HIS A 70 24.383 -3.904 11.160 1.00 0.00 N ATOM 0 H HIS A 70 26.889 0.260 10.068 1.00 0.00 H new ATOM 0 HA HIS A 70 24.218 0.493 11.210 1.00 0.00 H new ATOM 0 HB2 HIS A 70 26.836 -0.798 11.948 1.00 0.00 H new ATOM 0 HB3 HIS A 70 25.674 -0.472 13.218 1.00 0.00 H new ATOM 0 HD2 HIS A 70 26.505 -3.352 11.104 1.00 0.00 H new ATOM 0 HE1 HIS A 70 22.290 -3.619 11.507 1.00 0.00 H new ATOM 0 HE2 HIS A 70 24.401 -4.865 10.818 1.00 0.00 H new ATOM 1023 N ALA A 71 25.483 2.994 11.566 1.00 0.00 N ATOM 1024 CA ALA A 71 25.702 4.265 12.244 1.00 0.00 C ATOM 1025 C ALA A 71 24.433 5.110 12.251 1.00 0.00 C ATOM 1026 O ALA A 71 24.025 5.624 13.291 1.00 0.00 O ATOM 1027 CB ALA A 71 26.842 5.026 11.583 1.00 0.00 C ATOM 0 H ALA A 71 25.286 3.077 10.569 1.00 0.00 H new ATOM 0 HA ALA A 71 25.972 4.055 13.279 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.995 5.974 12.100 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.755 4.433 11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.594 5.218 10.539 1.00 0.00 H new ATOM 1033 N GLN A 72 23.815 5.250 11.082 1.00 0.00 N ATOM 1034 CA GLN A 72 22.592 6.034 10.955 1.00 0.00 C ATOM 1035 C GLN A 72 21.614 5.366 9.994 1.00 0.00 C ATOM 1036 O GLN A 72 22.008 4.562 9.148 1.00 0.00 O ATOM 1037 CB GLN A 72 22.917 7.448 10.469 1.00 0.00 C ATOM 1038 CG GLN A 72 23.392 8.377 11.575 1.00 0.00 C ATOM 1039 CD GLN A 72 22.439 8.417 12.753 1.00 0.00 C ATOM 1040 OE1 GLN A 72 21.303 8.877 12.632 1.00 0.00 O ATOM 1041 NE2 GLN A 72 22.896 7.932 13.901 1.00 0.00 N ATOM 0 H GLN A 72 24.141 4.831 10.211 1.00 0.00 H new ATOM 0 HA GLN A 72 22.124 6.093 11.938 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.686 7.391 9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.030 7.876 10.002 1.00 0.00 H new ATOM 0 HG2 GLN A 72 24.375 8.054 11.918 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.510 9.383 11.173 1.00 0.00 H new ATOM 0 HE21 GLN A 72 23.844 7.560 13.956 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.299 7.931 14.728 1.00 0.00 H new ATOM 1050 N THR A 73 20.335 5.703 10.130 1.00 0.00 N ATOM 1051 CA THR A 73 19.300 5.134 9.276 1.00 0.00 C ATOM 1052 C THR A 73 18.252 6.180 8.912 1.00 0.00 C ATOM 1053 O THR A 73 17.724 6.872 9.783 1.00 0.00 O ATOM 1054 CB THR A 73 18.603 3.941 9.956 1.00 0.00 C ATOM 1055 OG1 THR A 73 19.581 3.043 10.493 1.00 0.00 O ATOM 1056 CG2 THR A 73 17.715 3.199 8.969 1.00 0.00 C ATOM 0 H THR A 73 19.991 6.367 10.824 1.00 0.00 H new ATOM 0 HA THR A 73 19.794 4.787 8.369 1.00 0.00 H new ATOM 0 HB THR A 73 17.980 4.325 10.764 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.130 2.288 10.925 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.233 2.361 9.472 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.954 3.877 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.321 2.827 8.143 1.00 0.00 H new ATOM 1064 N ILE A 74 17.956 6.290 7.621 1.00 0.00 N ATOM 1065 CA ILE A 74 16.970 7.250 7.143 1.00 0.00 C ATOM 1066 C ILE A 74 15.872 6.558 6.343 1.00 0.00 C ATOM 1067 O ILE A 74 16.096 6.108 5.219 1.00 0.00 O ATOM 1068 CB ILE A 74 17.621 8.337 6.267 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.659 9.119 7.074 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.559 9.274 5.710 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.498 10.055 6.232 1.00 0.00 C ATOM 0 H ILE A 74 18.385 5.726 6.888 1.00 0.00 H new ATOM 0 HA ILE A 74 16.533 7.719 8.025 1.00 0.00 H new ATOM 0 HB ILE A 74 18.127 7.855 5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.149 9.696 7.845 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.316 8.415 7.585 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.034 10.037 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.853 8.705 5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.028 9.752 6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.212 10.576 6.869 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.036 9.482 5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.851 10.782 5.742 1.00 0.00 H new ATOM 1083 N LYS A 75 14.682 6.478 6.929 1.00 0.00 N ATOM 1084 CA LYS A 75 13.546 5.844 6.271 1.00 0.00 C ATOM 1085 C LYS A 75 12.657 6.884 5.597 1.00 0.00 C ATOM 1086 O LYS A 75 12.175 7.815 6.243 1.00 0.00 O ATOM 1087 CB LYS A 75 12.729 5.037 7.283 1.00 0.00 C ATOM 1088 CG LYS A 75 13.328 3.679 7.604 1.00 0.00 C ATOM 1089 CD LYS A 75 12.501 2.935 8.639 1.00 0.00 C ATOM 1090 CE LYS A 75 13.258 1.745 9.207 1.00 0.00 C ATOM 1091 NZ LYS A 75 13.627 0.766 8.147 1.00 0.00 N ATOM 0 H LYS A 75 14.479 6.845 7.859 1.00 0.00 H new ATOM 0 HA LYS A 75 13.931 5.171 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.638 5.612 8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.720 4.897 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.393 3.084 6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.345 3.807 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.231 3.615 9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.571 2.593 8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.160 2.094 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.645 1.251 9.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.339 -0.189 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.144 1.016 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.656 0.787 7.998 1.00 0.00 H new ATOM 1105 N VAL A 76 12.441 6.719 4.296 1.00 0.00 N ATOM 1106 CA VAL A 76 11.608 7.643 3.536 1.00 0.00 C ATOM 1107 C VAL A 76 10.668 6.892 2.600 1.00 0.00 C ATOM 1108 O VAL A 76 10.939 5.756 2.211 1.00 0.00 O ATOM 1109 CB VAL A 76 12.463 8.621 2.710 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.360 9.447 3.620 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.288 7.867 1.678 1.00 0.00 C ATOM 0 H VAL A 76 12.832 5.954 3.746 1.00 0.00 H new ATOM 0 HA VAL A 76 11.021 8.208 4.260 1.00 0.00 H new ATOM 0 HB VAL A 76 11.796 9.302 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.957 10.132 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.745 10.017 4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.021 8.784 4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.886 8.574 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.947 7.161 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.623 7.324 1.006 1.00 0.00 H new ATOM 1121 N ASP A 77 9.561 7.534 2.242 1.00 0.00 N ATOM 1122 CA ASP A 77 8.580 6.927 1.349 1.00 0.00 C ATOM 1123 C ASP A 77 9.266 6.257 0.163 1.00 0.00 C ATOM 1124 O ASP A 77 10.366 6.645 -0.232 1.00 0.00 O ATOM 1125 CB ASP A 77 7.590 7.982 0.852 1.00 0.00 C ATOM 1126 CG ASP A 77 7.124 8.906 1.960 1.00 0.00 C ATOM 1127 OD1 ASP A 77 7.916 9.775 2.382 1.00 0.00 O ATOM 1128 OD2 ASP A 77 5.966 8.761 2.405 1.00 0.00 O ATOM 0 H ASP A 77 9.321 8.474 2.556 1.00 0.00 H new ATOM 0 HA ASP A 77 8.037 6.166 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.057 8.572 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.726 7.486 0.409 1.00 0.00 H new ATOM 1133 N TYR A 78 8.611 5.248 -0.400 1.00 0.00 N ATOM 1134 CA TYR A 78 9.159 4.520 -1.538 1.00 0.00 C ATOM 1135 C TYR A 78 9.399 5.457 -2.718 1.00 0.00 C ATOM 1136 O TYR A 78 10.468 5.445 -3.329 1.00 0.00 O ATOM 1137 CB TYR A 78 8.213 3.392 -1.953 1.00 0.00 C ATOM 1138 CG TYR A 78 6.852 3.876 -2.399 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.835 4.098 -1.479 1.00 0.00 C ATOM 1140 CD2 TYR A 78 6.583 4.113 -3.742 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.590 4.539 -1.883 1.00 0.00 C ATOM 1142 CE2 TYR A 78 5.341 4.557 -4.155 1.00 0.00 C ATOM 1143 CZ TYR A 78 4.348 4.767 -3.221 1.00 0.00 C ATOM 1144 OH TYR A 78 3.109 5.209 -3.627 1.00 0.00 O ATOM 0 H TYR A 78 7.699 4.915 -0.087 1.00 0.00 H new ATOM 0 HA TYR A 78 10.115 4.091 -1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.671 2.825 -2.763 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.089 2.707 -1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.021 3.923 -0.430 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.358 3.947 -4.476 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.810 4.704 -1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.149 4.738 -5.202 1.00 0.00 H new ATOM 0 HH TYR A 78 3.105 5.321 -4.601 1.00 0.00 H new ATOM 1154 N LYS A 79 8.396 6.270 -3.034 1.00 0.00 N ATOM 1155 CA LYS A 79 8.496 7.215 -4.139 1.00 0.00 C ATOM 1156 C LYS A 79 9.885 7.845 -4.193 1.00 0.00 C ATOM 1157 O LYS A 79 10.501 7.918 -5.256 1.00 0.00 O ATOM 1158 CB LYS A 79 7.434 8.308 -4.000 1.00 0.00 C ATOM 1159 CG LYS A 79 6.017 7.812 -4.225 1.00 0.00 C ATOM 1160 CD LYS A 79 5.013 8.951 -4.181 1.00 0.00 C ATOM 1161 CE LYS A 79 4.554 9.236 -2.759 1.00 0.00 C ATOM 1162 NZ LYS A 79 5.452 10.205 -2.070 1.00 0.00 N ATOM 0 H LYS A 79 7.504 6.293 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 79 8.328 6.669 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.503 8.745 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.649 9.104 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.956 7.309 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.764 7.074 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.461 9.849 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.151 8.701 -4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.539 9.632 -2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.523 8.305 -2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.847 9.765 -1.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.226 10.476 -2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.910 11.052 -1.804 1.00 0.00 H new ATOM 1176 N GLN A 80 10.370 8.295 -3.041 1.00 0.00 N ATOM 1177 CA GLN A 80 11.686 8.917 -2.958 1.00 0.00 C ATOM 1178 C GLN A 80 12.664 8.254 -3.923 1.00 0.00 C ATOM 1179 O GLN A 80 13.038 7.095 -3.742 1.00 0.00 O ATOM 1180 CB GLN A 80 12.225 8.832 -1.529 1.00 0.00 C ATOM 1181 CG GLN A 80 11.639 9.879 -0.595 1.00 0.00 C ATOM 1182 CD GLN A 80 11.504 11.238 -1.253 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.392 12.085 -1.145 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.389 11.455 -1.941 1.00 0.00 N ATOM 0 H GLN A 80 9.872 8.241 -2.153 1.00 0.00 H new ATOM 0 HA GLN A 80 11.582 9.965 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.014 7.841 -1.128 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.309 8.943 -1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.659 9.547 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 80 12.272 9.968 0.288 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.679 10.725 -2.005 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.243 12.351 -2.406 1.00 0.00 H new ATOM 1193 N ARG A 81 13.073 8.995 -4.947 1.00 0.00 N ATOM 1194 CA ARG A 81 14.005 8.478 -5.941 1.00 0.00 C ATOM 1195 C ARG A 81 15.435 8.498 -5.407 1.00 0.00 C ATOM 1196 O ARG A 81 16.218 7.585 -5.667 1.00 0.00 O ATOM 1197 CB ARG A 81 13.918 9.299 -7.229 1.00 0.00 C ATOM 1198 CG ARG A 81 15.124 9.133 -8.139 1.00 0.00 C ATOM 1199 CD ARG A 81 15.299 7.686 -8.573 1.00 0.00 C ATOM 1200 NE ARG A 81 15.919 7.581 -9.891 1.00 0.00 N ATOM 1201 CZ ARG A 81 15.244 7.679 -11.031 1.00 0.00 C ATOM 1202 NH1 ARG A 81 13.934 7.883 -11.013 1.00 0.00 N ATOM 1203 NH2 ARG A 81 15.879 7.573 -12.191 1.00 0.00 N ATOM 0 H ARG A 81 12.773 9.956 -5.110 1.00 0.00 H new ATOM 0 HA ARG A 81 13.731 7.446 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.019 9.010 -7.774 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.810 10.353 -6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.008 9.766 -9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 81 16.022 9.470 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.912 7.160 -7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.327 7.192 -8.589 1.00 0.00 H new ATOM 0 HE ARG A 81 16.926 7.424 -9.939 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.443 7.965 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.417 7.958 -11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.887 7.416 -12.208 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.359 7.648 -13.066 1.00 0.00 H new ATOM 1217 N TYR A 82 15.767 9.546 -4.662 1.00 0.00 N ATOM 1218 CA TYR A 82 17.103 9.687 -4.094 1.00 0.00 C ATOM 1219 C TYR A 82 17.087 10.620 -2.887 1.00 0.00 C ATOM 1220 O TYR A 82 16.142 11.386 -2.693 1.00 0.00 O ATOM 1221 CB TYR A 82 18.075 10.218 -5.150 1.00 0.00 C ATOM 1222 CG TYR A 82 17.931 11.700 -5.415 1.00 0.00 C ATOM 1223 CD1 TYR A 82 16.997 12.175 -6.326 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.730 12.624 -4.752 1.00 0.00 C ATOM 1225 CE1 TYR A 82 16.863 13.528 -6.571 1.00 0.00 C ATOM 1226 CE2 TYR A 82 18.601 13.979 -4.990 1.00 0.00 C ATOM 1227 CZ TYR A 82 17.667 14.426 -5.901 1.00 0.00 C ATOM 1228 OH TYR A 82 17.535 15.774 -6.142 1.00 0.00 O ATOM 0 H TYR A 82 15.130 10.310 -4.437 1.00 0.00 H new ATOM 0 HA TYR A 82 17.436 8.703 -3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 82 19.096 10.013 -4.828 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.919 9.674 -6.082 1.00 0.00 H new ATOM 0 HD1 TYR A 82 16.365 11.475 -6.852 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.464 12.277 -4.039 1.00 0.00 H new ATOM 0 HE1 TYR A 82 16.132 13.881 -7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 82 19.228 14.684 -4.465 1.00 0.00 H new ATOM 0 HH TYR A 82 18.174 16.269 -5.589 1.00 0.00 H new ATOM 1238 N TYR A 83 18.139 10.550 -2.080 1.00 0.00 N ATOM 1239 CA TYR A 83 18.246 11.386 -0.890 1.00 0.00 C ATOM 1240 C TYR A 83 19.623 12.038 -0.804 1.00 0.00 C ATOM 1241 O TYR A 83 20.638 11.418 -1.123 1.00 0.00 O ATOM 1242 CB TYR A 83 17.984 10.555 0.368 1.00 0.00 C ATOM 1243 CG TYR A 83 17.817 11.388 1.619 1.00 0.00 C ATOM 1244 CD1 TYR A 83 16.568 11.864 1.999 1.00 0.00 C ATOM 1245 CD2 TYR A 83 18.908 11.700 2.421 1.00 0.00 C ATOM 1246 CE1 TYR A 83 16.410 12.625 3.141 1.00 0.00 C ATOM 1247 CE2 TYR A 83 18.759 12.459 3.565 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.509 12.920 3.921 1.00 0.00 C ATOM 1249 OH TYR A 83 17.357 13.678 5.059 1.00 0.00 O ATOM 0 H TYR A 83 18.930 9.923 -2.228 1.00 0.00 H new ATOM 0 HA TYR A 83 17.495 12.173 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.086 9.956 0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.810 9.859 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 83 15.705 11.635 1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 83 19.889 11.343 2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 83 15.432 12.987 3.422 1.00 0.00 H new ATOM 0 HE2 TYR A 83 19.617 12.690 4.178 1.00 0.00 H new ATOM 0 HH TYR A 83 18.228 13.793 5.494 1.00 0.00 H new ATOM 1259 N THR A 84 19.650 13.294 -0.371 1.00 0.00 N ATOM 1260 CA THR A 84 20.900 14.032 -0.243 1.00 0.00 C ATOM 1261 C THR A 84 21.335 14.129 1.214 1.00 0.00 C ATOM 1262 O THR A 84 20.910 15.028 1.940 1.00 0.00 O ATOM 1263 CB THR A 84 20.776 15.453 -0.826 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.326 15.388 -2.184 1.00 0.00 O ATOM 1265 CG2 THR A 84 22.109 16.182 -0.762 1.00 0.00 C ATOM 0 H THR A 84 18.820 13.822 -0.103 1.00 0.00 H new ATOM 0 HA THR A 84 21.652 13.480 -0.807 1.00 0.00 H new ATOM 0 HB THR A 84 20.049 16.005 -0.229 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.248 16.295 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.997 17.183 -1.179 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.434 16.256 0.276 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.853 15.631 -1.337 1.00 0.00 H new ATOM 1273 N ILE A 85 22.184 13.198 1.637 1.00 0.00 N ATOM 1274 CA ILE A 85 22.677 13.181 3.008 1.00 0.00 C ATOM 1275 C ILE A 85 23.598 14.366 3.276 1.00 0.00 C ATOM 1276 O ILE A 85 24.653 14.498 2.656 1.00 0.00 O ATOM 1277 CB ILE A 85 23.435 11.876 3.317 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.561 10.664 2.992 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.869 11.848 4.775 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.307 9.349 3.045 1.00 0.00 C ATOM 0 H ILE A 85 22.544 12.446 1.050 1.00 0.00 H new ATOM 0 HA ILE A 85 21.805 13.248 3.658 1.00 0.00 H new ATOM 0 HB ILE A 85 24.327 11.835 2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.728 10.628 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 85 22.134 10.790 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.403 10.920 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.525 12.695 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.990 11.909 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.625 8.534 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 85 24.124 9.365 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.711 9.200 4.046 1.00 0.00 H new ATOM 1292 N GLU A 86 23.192 15.226 4.205 1.00 0.00 N ATOM 1293 CA GLU A 86 23.982 16.400 4.556 1.00 0.00 C ATOM 1294 C GLU A 86 24.671 16.210 5.904 1.00 0.00 C ATOM 1295 O GLU A 86 24.522 15.172 6.548 1.00 0.00 O ATOM 1296 CB GLU A 86 23.095 17.646 4.596 1.00 0.00 C ATOM 1297 CG GLU A 86 22.455 17.981 3.259 1.00 0.00 C ATOM 1298 CD GLU A 86 23.301 18.926 2.427 1.00 0.00 C ATOM 1299 OE1 GLU A 86 24.528 18.977 2.653 1.00 0.00 O ATOM 1300 OE2 GLU A 86 22.737 19.614 1.552 1.00 0.00 O ATOM 0 H GLU A 86 22.321 15.132 4.728 1.00 0.00 H new ATOM 0 HA GLU A 86 24.748 16.532 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.310 17.499 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.692 18.496 4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 86 22.288 17.061 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.477 18.431 3.431 1.00 0.00 H new ATOM 1307 N ASN A 87 25.426 17.220 6.324 1.00 0.00 N ATOM 1308 CA ASN A 87 26.139 17.164 7.595 1.00 0.00 C ATOM 1309 C ASN A 87 27.244 16.113 7.553 1.00 0.00 C ATOM 1310 O ASN A 87 27.413 15.337 8.495 1.00 0.00 O ATOM 1311 CB ASN A 87 25.167 16.854 8.736 1.00 0.00 C ATOM 1312 CG ASN A 87 23.921 17.716 8.684 1.00 0.00 C ATOM 1313 OD1 ASN A 87 23.973 18.918 8.945 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.792 17.104 8.346 1.00 0.00 N ATOM 0 H ASN A 87 25.560 18.087 5.803 1.00 0.00 H new ATOM 0 HA ASN A 87 26.595 18.138 7.770 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.881 15.803 8.690 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.671 17.006 9.690 1.00 0.00 H new ATOM 0 HD21 ASN A 87 21.921 17.632 8.294 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.796 16.105 8.138 1.00 0.00 H new ATOM 1321 N LEU A 88 27.993 16.094 6.457 1.00 0.00 N ATOM 1322 CA LEU A 88 29.083 15.138 6.291 1.00 0.00 C ATOM 1323 C LEU A 88 30.421 15.857 6.154 1.00 0.00 C ATOM 1324 O LEU A 88 30.467 17.068 5.941 1.00 0.00 O ATOM 1325 CB LEU A 88 28.835 14.259 5.064 1.00 0.00 C ATOM 1326 CG LEU A 88 27.547 13.435 5.078 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.299 12.809 3.714 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.611 12.363 6.156 1.00 0.00 C ATOM 0 H LEU A 88 27.866 16.730 5.669 1.00 0.00 H new ATOM 0 HA LEU A 88 29.119 14.508 7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 88 28.825 14.897 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.678 13.577 4.954 1.00 0.00 H new ATOM 0 HG LEU A 88 26.715 14.101 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.378 12.226 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.208 13.595 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 88 28.133 12.157 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.686 11.787 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 88 28.453 11.699 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.740 12.834 7.130 1.00 0.00 H new ATOM 1340 N ASP A 89 31.507 15.102 6.276 1.00 0.00 N ATOM 1341 CA ASP A 89 32.847 15.666 6.162 1.00 0.00 C ATOM 1342 C ASP A 89 33.538 15.175 4.894 1.00 0.00 C ATOM 1343 O ASP A 89 33.486 13.994 4.547 1.00 0.00 O ATOM 1344 CB ASP A 89 33.684 15.299 7.389 1.00 0.00 C ATOM 1345 CG ASP A 89 35.011 16.031 7.424 1.00 0.00 C ATOM 1346 OD1 ASP A 89 35.008 17.251 7.687 1.00 0.00 O ATOM 1347 OD2 ASP A 89 36.053 15.384 7.188 1.00 0.00 O ATOM 0 H ASP A 89 31.486 14.098 6.454 1.00 0.00 H new ATOM 0 HA ASP A 89 32.754 16.751 6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.120 15.531 8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 89 33.865 14.224 7.394 1.00 0.00 H new ATOM 1352 N PRO A 90 34.200 16.100 4.184 1.00 0.00 N ATOM 1353 CA PRO A 90 34.914 15.784 2.943 1.00 0.00 C ATOM 1354 C PRO A 90 36.159 14.940 3.188 1.00 0.00 C ATOM 1355 O PRO A 90 36.670 14.881 4.307 1.00 0.00 O ATOM 1356 CB PRO A 90 35.300 17.161 2.396 1.00 0.00 C ATOM 1357 CG PRO A 90 35.355 18.043 3.595 1.00 0.00 C ATOM 1358 CD PRO A 90 34.304 17.525 4.538 1.00 0.00 C ATOM 0 HA PRO A 90 34.302 15.194 2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 90 36.262 17.128 1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.567 17.520 1.674 1.00 0.00 H new ATOM 0 HG2 PRO A 90 36.342 18.013 4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 90 35.160 19.081 3.325 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.597 17.660 5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 90 33.354 18.043 4.404 1.00 0.00 H new ATOM 1366 N SER A 91 36.644 14.288 2.136 1.00 0.00 N ATOM 1367 CA SER A 91 37.828 13.444 2.239 1.00 0.00 C ATOM 1368 C SER A 91 37.589 12.287 3.205 1.00 0.00 C ATOM 1369 O SER A 91 38.422 11.998 4.064 1.00 0.00 O ATOM 1370 CB SER A 91 39.030 14.269 2.702 1.00 0.00 C ATOM 1371 OG SER A 91 39.752 14.784 1.597 1.00 0.00 O ATOM 0 H SER A 91 36.235 14.328 1.203 1.00 0.00 H new ATOM 0 HA SER A 91 38.037 13.033 1.251 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.690 15.090 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 91 39.687 13.649 3.312 1.00 0.00 H new ATOM 0 HG SER A 91 40.514 15.309 1.920 1.00 0.00 H new ATOM 1377 N SER A 92 36.444 11.628 3.057 1.00 0.00 N ATOM 1378 CA SER A 92 36.092 10.505 3.918 1.00 0.00 C ATOM 1379 C SER A 92 35.171 9.531 3.189 1.00 0.00 C ATOM 1380 O SER A 92 34.200 9.936 2.550 1.00 0.00 O ATOM 1381 CB SER A 92 35.414 11.007 5.195 1.00 0.00 C ATOM 1382 OG SER A 92 36.247 11.920 5.888 1.00 0.00 O ATOM 0 H SER A 92 35.745 11.852 2.349 1.00 0.00 H new ATOM 0 HA SER A 92 37.010 9.981 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.470 11.490 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.178 10.162 5.842 1.00 0.00 H new ATOM 0 HG SER A 92 35.791 12.228 6.699 1.00 0.00 H new ATOM 1388 N HIS A 93 35.484 8.243 3.291 1.00 0.00 N ATOM 1389 CA HIS A 93 34.685 7.208 2.643 1.00 0.00 C ATOM 1390 C HIS A 93 33.437 6.893 3.461 1.00 0.00 C ATOM 1391 O HIS A 93 33.513 6.689 4.673 1.00 0.00 O ATOM 1392 CB HIS A 93 35.516 5.940 2.448 1.00 0.00 C ATOM 1393 CG HIS A 93 34.689 4.703 2.273 1.00 0.00 C ATOM 1394 ND1 HIS A 93 34.789 3.607 3.104 1.00 0.00 N ATOM 1395 CD2 HIS A 93 33.743 4.394 1.356 1.00 0.00 C ATOM 1396 CE1 HIS A 93 33.941 2.676 2.704 1.00 0.00 C ATOM 1397 NE2 HIS A 93 33.293 3.129 1.646 1.00 0.00 N ATOM 0 H HIS A 93 36.285 7.891 3.816 1.00 0.00 H new ATOM 0 HA HIS A 93 34.373 7.582 1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.156 6.066 1.575 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.172 5.810 3.308 1.00 0.00 H new ATOM 0 HD2 HIS A 93 33.405 5.024 0.547 1.00 0.00 H new ATOM 0 HE1 HIS A 93 33.801 1.709 3.164 1.00 0.00 H new ATOM 0 HE2 HIS A 93 32.575 2.622 1.128 1.00 0.00 H new ATOM 1406 N TYR A 94 32.290 6.856 2.792 1.00 0.00 N ATOM 1407 CA TYR A 94 31.026 6.569 3.458 1.00 0.00 C ATOM 1408 C TYR A 94 30.324 5.382 2.805 1.00 0.00 C ATOM 1409 O TYR A 94 30.011 5.408 1.615 1.00 0.00 O ATOM 1410 CB TYR A 94 30.115 7.797 3.421 1.00 0.00 C ATOM 1411 CG TYR A 94 30.506 8.870 4.412 1.00 0.00 C ATOM 1412 CD1 TYR A 94 31.404 9.872 4.064 1.00 0.00 C ATOM 1413 CD2 TYR A 94 29.976 8.884 5.697 1.00 0.00 C ATOM 1414 CE1 TYR A 94 31.764 10.854 4.966 1.00 0.00 C ATOM 1415 CE2 TYR A 94 30.330 9.862 6.605 1.00 0.00 C ATOM 1416 CZ TYR A 94 31.225 10.845 6.235 1.00 0.00 C ATOM 1417 OH TYR A 94 31.580 11.822 7.137 1.00 0.00 O ATOM 0 H TYR A 94 32.210 7.021 1.789 1.00 0.00 H new ATOM 0 HA TYR A 94 31.241 6.316 4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.129 8.219 2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.090 7.485 3.621 1.00 0.00 H new ATOM 0 HD1 TYR A 94 31.828 9.883 3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 94 29.275 8.116 5.990 1.00 0.00 H new ATOM 0 HE1 TYR A 94 32.464 11.625 4.679 1.00 0.00 H new ATOM 0 HE2 TYR A 94 29.909 9.858 7.599 1.00 0.00 H new ATOM 0 HH TYR A 94 31.110 11.672 7.984 1.00 0.00 H new ATOM 1427 N VAL A 95 30.078 4.341 3.595 1.00 0.00 N ATOM 1428 CA VAL A 95 29.411 3.144 3.097 1.00 0.00 C ATOM 1429 C VAL A 95 27.895 3.294 3.156 1.00 0.00 C ATOM 1430 O VAL A 95 27.304 3.304 4.237 1.00 0.00 O ATOM 1431 CB VAL A 95 29.824 1.896 3.899 1.00 0.00 C ATOM 1432 CG1 VAL A 95 29.090 0.665 3.388 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.330 1.695 3.832 1.00 0.00 C ATOM 0 H VAL A 95 30.331 4.303 4.582 1.00 0.00 H new ATOM 0 HA VAL A 95 29.720 3.019 2.059 1.00 0.00 H new ATOM 0 HB VAL A 95 29.546 2.047 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.395 -0.207 3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 95 28.015 0.813 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.333 0.506 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.605 0.809 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.634 1.565 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.832 2.567 4.251 1.00 0.00 H new ATOM 1443 N ILE A 96 27.271 3.410 1.989 1.00 0.00 N ATOM 1444 CA ILE A 96 25.823 3.558 1.909 1.00 0.00 C ATOM 1445 C ILE A 96 25.153 2.233 1.561 1.00 0.00 C ATOM 1446 O ILE A 96 25.604 1.512 0.670 1.00 0.00 O ATOM 1447 CB ILE A 96 25.422 4.614 0.862 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.935 5.994 1.275 1.00 0.00 C ATOM 1449 CG2 ILE A 96 23.911 4.635 0.683 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.392 6.224 0.939 1.00 0.00 C ATOM 0 H ILE A 96 27.745 3.404 1.086 1.00 0.00 H new ATOM 0 HA ILE A 96 25.485 3.886 2.892 1.00 0.00 H new ATOM 0 HB ILE A 96 25.877 4.350 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.333 6.758 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.794 6.118 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.643 5.386 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 96 23.571 3.655 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.435 4.879 1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.686 7.223 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.005 5.483 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.536 6.132 -0.138 1.00 0.00 H new ATOM 1462 N THR A 97 24.073 1.918 2.268 1.00 0.00 N ATOM 1463 CA THR A 97 23.340 0.680 2.034 1.00 0.00 C ATOM 1464 C THR A 97 21.851 0.949 1.851 1.00 0.00 C ATOM 1465 O THR A 97 21.290 1.847 2.481 1.00 0.00 O ATOM 1466 CB THR A 97 23.532 -0.314 3.195 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.208 0.316 4.439 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.963 -0.827 3.237 1.00 0.00 C ATOM 0 H THR A 97 23.686 2.504 3.008 1.00 0.00 H new ATOM 0 HA THR A 97 23.742 0.242 1.120 1.00 0.00 H new ATOM 0 HB THR A 97 22.864 -1.160 3.033 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.176 -0.359 5.149 1.00 0.00 H new ATOM 0 HG21 THR A 97 25.074 -1.527 4.065 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.196 -1.333 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.646 0.011 3.376 1.00 0.00 H new ATOM 1476 N LEU A 98 21.215 0.166 0.987 1.00 0.00 N ATOM 1477 CA LEU A 98 19.788 0.320 0.722 1.00 0.00 C ATOM 1478 C LEU A 98 19.074 -1.026 0.789 1.00 0.00 C ATOM 1479 O LEU A 98 19.530 -2.013 0.211 1.00 0.00 O ATOM 1480 CB LEU A 98 19.571 0.957 -0.651 1.00 0.00 C ATOM 1481 CG LEU A 98 18.129 0.979 -1.160 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.361 2.136 -0.539 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.100 1.072 -2.679 1.00 0.00 C ATOM 0 H LEU A 98 21.664 -0.582 0.458 1.00 0.00 H new ATOM 0 HA LEU A 98 19.369 0.972 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.938 1.983 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.184 0.424 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 98 17.646 0.048 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.337 2.136 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.351 2.026 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.844 3.077 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.066 1.086 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.601 1.986 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.612 0.210 -3.106 1.00 0.00 H new ATOM 1495 N LYS A 99 17.950 -1.059 1.497 1.00 0.00 N ATOM 1496 CA LYS A 99 17.169 -2.283 1.638 1.00 0.00 C ATOM 1497 C LYS A 99 15.680 -1.999 1.474 1.00 0.00 C ATOM 1498 O LYS A 99 15.127 -1.126 2.142 1.00 0.00 O ATOM 1499 CB LYS A 99 17.430 -2.924 3.003 1.00 0.00 C ATOM 1500 CG LYS A 99 16.944 -2.085 4.172 1.00 0.00 C ATOM 1501 CD LYS A 99 17.179 -2.788 5.499 1.00 0.00 C ATOM 1502 CE LYS A 99 18.577 -2.517 6.033 1.00 0.00 C ATOM 1503 NZ LYS A 99 18.737 -1.104 6.475 1.00 0.00 N ATOM 0 H LYS A 99 17.559 -0.252 1.983 1.00 0.00 H new ATOM 0 HA LYS A 99 17.478 -2.974 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.941 -3.898 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.500 -3.101 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.460 -1.125 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.881 -1.875 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.439 -2.452 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.038 -3.862 5.373 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.782 -3.185 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.311 -2.741 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.535 -1.036 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.921 -0.500 5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.866 -0.787 6.948 1.00 0.00 H new ATOM 1517 N ALA A 100 15.035 -2.744 0.581 1.00 0.00 N ATOM 1518 CA ALA A 100 13.609 -2.574 0.332 1.00 0.00 C ATOM 1519 C ALA A 100 12.778 -3.336 1.359 1.00 0.00 C ATOM 1520 O ALA A 100 12.921 -4.550 1.511 1.00 0.00 O ATOM 1521 CB ALA A 100 13.261 -3.034 -1.076 1.00 0.00 C ATOM 0 H ALA A 100 15.478 -3.471 0.019 1.00 0.00 H new ATOM 0 HA ALA A 100 13.373 -1.514 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.193 -2.901 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.822 -2.444 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.519 -4.087 -1.189 1.00 0.00 H new ATOM 1527 N PHE A 101 11.911 -2.616 2.064 1.00 0.00 N ATOM 1528 CA PHE A 101 11.059 -3.224 3.078 1.00 0.00 C ATOM 1529 C PHE A 101 9.585 -2.975 2.771 1.00 0.00 C ATOM 1530 O PHE A 101 9.249 -2.171 1.902 1.00 0.00 O ATOM 1531 CB PHE A 101 11.404 -2.672 4.463 1.00 0.00 C ATOM 1532 CG PHE A 101 10.931 -1.263 4.680 1.00 0.00 C ATOM 1533 CD1 PHE A 101 11.716 -0.187 4.297 1.00 0.00 C ATOM 1534 CD2 PHE A 101 9.701 -1.014 5.268 1.00 0.00 C ATOM 1535 CE1 PHE A 101 11.283 1.110 4.497 1.00 0.00 C ATOM 1536 CE2 PHE A 101 9.263 0.282 5.471 1.00 0.00 C ATOM 1537 CZ PHE A 101 10.055 1.345 5.083 1.00 0.00 C ATOM 0 H PHE A 101 11.781 -1.611 1.951 1.00 0.00 H new ATOM 0 HA PHE A 101 11.237 -4.299 3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.962 -3.317 5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.484 -2.710 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.677 -0.364 3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.077 -1.842 5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.905 1.940 4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.303 0.463 5.932 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.714 2.358 5.238 1.00 0.00 H new ATOM 1547 N ASN A 102 8.711 -3.670 3.491 1.00 0.00 N ATOM 1548 CA ASN A 102 7.273 -3.525 3.296 1.00 0.00 C ATOM 1549 C ASN A 102 6.504 -4.052 4.504 1.00 0.00 C ATOM 1550 O ASN A 102 7.097 -4.439 5.509 1.00 0.00 O ATOM 1551 CB ASN A 102 6.831 -4.268 2.033 1.00 0.00 C ATOM 1552 CG ASN A 102 6.878 -5.774 2.201 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.469 -6.285 3.153 1.00 0.00 O ATOM 1554 ND2 ASN A 102 6.254 -6.493 1.275 1.00 0.00 N ATOM 0 H ASN A 102 8.973 -4.339 4.215 1.00 0.00 H new ATOM 0 HA ASN A 102 7.052 -2.464 3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.816 -3.966 1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.473 -3.978 1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.252 -7.511 1.336 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.777 -6.027 0.503 1.00 0.00 H new ATOM 1561 N ASN A 103 5.179 -4.063 4.396 1.00 0.00 N ATOM 1562 CA ASN A 103 4.328 -4.543 5.479 1.00 0.00 C ATOM 1563 C ASN A 103 4.753 -5.937 5.928 1.00 0.00 C ATOM 1564 O ASN A 103 4.663 -6.275 7.108 1.00 0.00 O ATOM 1565 CB ASN A 103 2.864 -4.561 5.035 1.00 0.00 C ATOM 1566 CG ASN A 103 2.164 -3.241 5.295 1.00 0.00 C ATOM 1567 OD1 ASN A 103 2.748 -2.172 5.122 1.00 0.00 O ATOM 1568 ND2 ASN A 103 0.905 -3.311 5.713 1.00 0.00 N ATOM 0 H ASN A 103 4.672 -3.745 3.570 1.00 0.00 H new ATOM 0 HA ASN A 103 4.436 -3.861 6.322 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.813 -4.793 3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.338 -5.358 5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.383 -2.456 5.904 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.460 -4.220 5.843 1.00 0.00 H new ATOM 1575 N VAL A 104 5.216 -6.743 4.978 1.00 0.00 N ATOM 1576 CA VAL A 104 5.657 -8.101 5.275 1.00 0.00 C ATOM 1577 C VAL A 104 6.897 -8.095 6.163 1.00 0.00 C ATOM 1578 O VAL A 104 6.951 -8.789 7.177 1.00 0.00 O ATOM 1579 CB VAL A 104 5.966 -8.886 3.987 1.00 0.00 C ATOM 1580 CG1 VAL A 104 6.507 -10.268 4.319 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.724 -8.986 3.114 1.00 0.00 C ATOM 0 H VAL A 104 5.296 -6.479 3.996 1.00 0.00 H new ATOM 0 HA VAL A 104 4.838 -8.591 5.802 1.00 0.00 H new ATOM 0 HB VAL A 104 6.732 -8.348 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.719 -10.807 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.424 -10.170 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.766 -10.819 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.960 -9.544 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.935 -9.501 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.386 -7.985 2.846 1.00 0.00 H new ATOM 1591 N GLY A 105 7.892 -7.304 5.774 1.00 0.00 N ATOM 1592 CA GLY A 105 9.118 -7.221 6.546 1.00 0.00 C ATOM 1593 C GLY A 105 10.142 -6.302 5.910 1.00 0.00 C ATOM 1594 O GLY A 105 9.832 -5.162 5.563 1.00 0.00 O ATOM 0 H GLY A 105 7.871 -6.719 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.888 -6.864 7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.545 -8.218 6.652 1.00 0.00 H new ATOM 1598 N GLU A 106 11.367 -6.797 5.758 1.00 0.00 N ATOM 1599 CA GLU A 106 12.440 -6.010 5.162 1.00 0.00 C ATOM 1600 C GLU A 106 13.158 -6.805 4.075 1.00 0.00 C ATOM 1601 O GLU A 106 13.102 -8.034 4.050 1.00 0.00 O ATOM 1602 CB GLU A 106 13.440 -5.575 6.235 1.00 0.00 C ATOM 1603 CG GLU A 106 12.865 -4.588 7.238 1.00 0.00 C ATOM 1604 CD GLU A 106 13.940 -3.809 7.971 1.00 0.00 C ATOM 1605 OE1 GLU A 106 14.581 -2.943 7.339 1.00 0.00 O ATOM 1606 OE2 GLU A 106 14.140 -4.064 9.177 1.00 0.00 O ATOM 0 H GLU A 106 11.640 -7.739 6.039 1.00 0.00 H new ATOM 0 HA GLU A 106 11.997 -5.124 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.795 -6.457 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.307 -5.125 5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.206 -3.891 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.254 -5.126 7.962 1.00 0.00 H new ATOM 1613 N GLY A 107 13.831 -6.093 3.177 1.00 0.00 N ATOM 1614 CA GLY A 107 14.550 -6.747 2.099 1.00 0.00 C ATOM 1615 C GLY A 107 16.043 -6.813 2.353 1.00 0.00 C ATOM 1616 O GLY A 107 16.514 -6.426 3.423 1.00 0.00 O ATOM 0 H GLY A 107 13.891 -5.075 3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.162 -7.757 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.367 -6.212 1.167 1.00 0.00 H new ATOM 1620 N ILE A 108 16.788 -7.304 1.369 1.00 0.00 N ATOM 1621 CA ILE A 108 18.236 -7.420 1.493 1.00 0.00 C ATOM 1622 C ILE A 108 18.922 -6.094 1.182 1.00 0.00 C ATOM 1623 O ILE A 108 18.696 -5.479 0.139 1.00 0.00 O ATOM 1624 CB ILE A 108 18.796 -8.506 0.556 1.00 0.00 C ATOM 1625 CG1 ILE A 108 17.864 -9.719 0.532 1.00 0.00 C ATOM 1626 CG2 ILE A 108 20.194 -8.915 0.995 1.00 0.00 C ATOM 1627 CD1 ILE A 108 17.865 -10.508 1.822 1.00 0.00 C ATOM 0 H ILE A 108 16.413 -7.628 0.477 1.00 0.00 H new ATOM 0 HA ILE A 108 18.443 -7.701 2.526 1.00 0.00 H new ATOM 0 HB ILE A 108 18.858 -8.098 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 108 16.849 -9.383 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.158 -10.376 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 108 20.576 -9.683 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 108 20.853 -8.047 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 108 20.156 -9.308 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 108 17.182 -11.353 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 108 18.871 -10.875 2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 108 17.542 -9.866 2.642 1.00 0.00 H new ATOM 1639 N PRO A 109 19.781 -5.641 2.106 1.00 0.00 N ATOM 1640 CA PRO A 109 20.520 -4.384 1.953 1.00 0.00 C ATOM 1641 C PRO A 109 21.583 -4.466 0.863 1.00 0.00 C ATOM 1642 O PRO A 109 21.973 -5.556 0.442 1.00 0.00 O ATOM 1643 CB PRO A 109 21.173 -4.187 3.323 1.00 0.00 C ATOM 1644 CG PRO A 109 21.288 -5.560 3.889 1.00 0.00 C ATOM 1645 CD PRO A 109 20.099 -6.322 3.373 1.00 0.00 C ATOM 0 HA PRO A 109 19.869 -3.562 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 109 22.151 -3.714 3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.567 -3.545 3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.219 -6.033 3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.292 -5.534 4.979 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.334 -7.375 3.215 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.263 -6.283 4.071 1.00 0.00 H new ATOM 1653 N LEU A 110 22.049 -3.308 0.409 1.00 0.00 N ATOM 1654 CA LEU A 110 23.069 -3.249 -0.632 1.00 0.00 C ATOM 1655 C LEU A 110 24.395 -2.748 -0.069 1.00 0.00 C ATOM 1656 O LEU A 110 24.497 -2.432 1.117 1.00 0.00 O ATOM 1657 CB LEU A 110 22.610 -2.337 -1.772 1.00 0.00 C ATOM 1658 CG LEU A 110 21.557 -2.921 -2.715 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.863 -1.812 -3.491 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.192 -3.924 -3.667 1.00 0.00 C ATOM 0 H LEU A 110 21.737 -2.397 0.745 1.00 0.00 H new ATOM 0 HA LEU A 110 23.217 -4.258 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.212 -1.419 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.483 -2.059 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 110 20.809 -3.441 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.117 -2.246 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.375 -1.131 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.599 -1.264 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.428 -4.330 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.961 -3.427 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.642 -4.735 -3.094 1.00 0.00 H new ATOM 1672 N TYR A 111 25.407 -2.676 -0.926 1.00 0.00 N ATOM 1673 CA TYR A 111 26.727 -2.214 -0.514 1.00 0.00 C ATOM 1674 C TYR A 111 27.343 -1.308 -1.575 1.00 0.00 C ATOM 1675 O TYR A 111 27.633 -1.746 -2.688 1.00 0.00 O ATOM 1676 CB TYR A 111 27.648 -3.406 -0.248 1.00 0.00 C ATOM 1677 CG TYR A 111 27.496 -3.991 1.138 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.320 -4.624 1.522 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.529 -3.912 2.064 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.177 -5.160 2.787 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.396 -4.446 3.331 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.218 -5.068 3.688 1.00 0.00 C ATOM 1683 OH TYR A 111 27.080 -5.601 4.949 1.00 0.00 O ATOM 0 H TYR A 111 25.338 -2.932 -1.911 1.00 0.00 H new ATOM 0 HA TYR A 111 26.612 -1.640 0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.445 -4.183 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.683 -3.094 -0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.503 -4.698 0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.452 -3.424 1.788 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.256 -5.648 3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.210 -4.377 4.038 1.00 0.00 H new ATOM 0 HH TYR A 111 27.904 -5.453 5.459 1.00 0.00 H new ATOM 1693 N GLU A 112 27.541 -0.042 -1.221 1.00 0.00 N ATOM 1694 CA GLU A 112 28.122 0.926 -2.143 1.00 0.00 C ATOM 1695 C GLU A 112 29.289 1.665 -1.493 1.00 0.00 C ATOM 1696 O GLU A 112 29.587 1.461 -0.316 1.00 0.00 O ATOM 1697 CB GLU A 112 27.061 1.930 -2.600 1.00 0.00 C ATOM 1698 CG GLU A 112 26.253 1.458 -3.798 1.00 0.00 C ATOM 1699 CD GLU A 112 27.127 0.928 -4.918 1.00 0.00 C ATOM 1700 OE1 GLU A 112 27.779 1.747 -5.600 1.00 0.00 O ATOM 1701 OE2 GLU A 112 27.159 -0.305 -5.115 1.00 0.00 O ATOM 0 H GLU A 112 27.308 0.337 -0.303 1.00 0.00 H new ATOM 0 HA GLU A 112 28.496 0.382 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 112 26.382 2.131 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 112 27.548 2.873 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.562 0.677 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.649 2.285 -4.173 1.00 0.00 H new ATOM 1708 N SER A 113 29.945 2.522 -2.268 1.00 0.00 N ATOM 1709 CA SER A 113 31.082 3.287 -1.769 1.00 0.00 C ATOM 1710 C SER A 113 31.061 4.711 -2.318 1.00 0.00 C ATOM 1711 O SER A 113 30.844 4.924 -3.511 1.00 0.00 O ATOM 1712 CB SER A 113 32.394 2.600 -2.152 1.00 0.00 C ATOM 1713 OG SER A 113 32.466 2.382 -3.550 1.00 0.00 O ATOM 0 H SER A 113 29.709 2.704 -3.243 1.00 0.00 H new ATOM 0 HA SER A 113 31.009 3.333 -0.682 1.00 0.00 H new ATOM 0 HB2 SER A 113 33.236 3.214 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.476 1.648 -1.628 1.00 0.00 H new ATOM 0 HG SER A 113 33.314 1.943 -3.769 1.00 0.00 H new ATOM 1719 N ALA A 114 31.288 5.681 -1.439 1.00 0.00 N ATOM 1720 CA ALA A 114 31.297 7.084 -1.834 1.00 0.00 C ATOM 1721 C ALA A 114 32.343 7.868 -1.050 1.00 0.00 C ATOM 1722 O ALA A 114 32.232 8.026 0.166 1.00 0.00 O ATOM 1723 CB ALA A 114 29.918 7.696 -1.639 1.00 0.00 C ATOM 0 H ALA A 114 31.468 5.521 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 114 31.559 7.137 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 114 29.939 8.744 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.192 7.159 -2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.633 7.624 -0.589 1.00 0.00 H new ATOM 1729 N VAL A 115 33.360 8.358 -1.752 1.00 0.00 N ATOM 1730 CA VAL A 115 34.426 9.126 -1.121 1.00 0.00 C ATOM 1731 C VAL A 115 34.209 10.624 -1.310 1.00 0.00 C ATOM 1732 O VAL A 115 34.579 11.191 -2.339 1.00 0.00 O ATOM 1733 CB VAL A 115 35.805 8.742 -1.688 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.899 9.583 -1.046 1.00 0.00 C ATOM 1735 CG2 VAL A 115 36.072 7.259 -1.480 1.00 0.00 C ATOM 0 H VAL A 115 33.468 8.236 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 115 34.401 8.889 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 115 35.806 8.942 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.867 9.298 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.714 10.638 -1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.901 9.417 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 115 37.051 7.005 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 115 36.052 7.032 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.305 6.676 -1.990 1.00 0.00 H new ATOM 1745 N THR A 116 33.608 11.260 -0.310 1.00 0.00 N ATOM 1746 CA THR A 116 33.342 12.692 -0.366 1.00 0.00 C ATOM 1747 C THR A 116 34.525 13.449 -0.957 1.00 0.00 C ATOM 1748 O THR A 116 35.681 13.122 -0.686 1.00 0.00 O ATOM 1749 CB THR A 116 33.029 13.260 1.031 1.00 0.00 C ATOM 1750 OG1 THR A 116 34.027 12.835 1.967 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.657 12.808 1.505 1.00 0.00 C ATOM 0 H THR A 116 33.296 10.806 0.549 1.00 0.00 H new ATOM 0 HA THR A 116 32.472 12.827 -1.008 1.00 0.00 H new ATOM 0 HB THR A 116 33.032 14.348 0.965 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.816 13.192 2.855 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.459 13.222 2.494 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.897 13.158 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.630 11.720 1.555 1.00 0.00 H new ATOM 1759 N ARG A 117 34.230 14.463 -1.764 1.00 0.00 N ATOM 1760 CA ARG A 117 35.271 15.266 -2.394 1.00 0.00 C ATOM 1761 C ARG A 117 36.280 15.757 -1.359 1.00 0.00 C ATOM 1762 O ARG A 117 35.988 15.849 -0.167 1.00 0.00 O ATOM 1763 CB ARG A 117 34.653 16.459 -3.125 1.00 0.00 C ATOM 1764 CG ARG A 117 34.023 16.095 -4.460 1.00 0.00 C ATOM 1765 CD ARG A 117 33.073 17.181 -4.942 1.00 0.00 C ATOM 1766 NE ARG A 117 32.594 16.927 -6.298 1.00 0.00 N ATOM 1767 CZ ARG A 117 33.372 16.979 -7.374 1.00 0.00 C ATOM 1768 NH1 ARG A 117 34.659 17.274 -7.252 1.00 0.00 N ATOM 1769 NH2 ARG A 117 32.862 16.735 -8.574 1.00 0.00 N ATOM 0 H ARG A 117 33.279 14.748 -1.997 1.00 0.00 H new ATOM 0 HA ARG A 117 35.793 14.637 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 117 33.895 16.913 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.423 17.212 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 117 34.806 15.939 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 117 33.482 15.153 -4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 117 32.222 17.246 -4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 117 33.580 18.146 -4.911 1.00 0.00 H new ATOM 0 HE ARG A 117 31.609 16.697 -6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 117 35.054 17.462 -6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 117 35.254 17.313 -8.080 1.00 0.00 H new ATOM 0 HH21 ARG A 117 31.872 16.507 -8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 117 33.459 16.775 -9.400 1.00 0.00 H new ATOM 1783 N PRO A 118 37.496 16.079 -1.824 1.00 0.00 N ATOM 1784 CA PRO A 118 38.572 16.566 -0.956 1.00 0.00 C ATOM 1785 C PRO A 118 38.297 17.968 -0.422 1.00 0.00 C ATOM 1786 O PRO A 118 39.063 18.497 0.383 1.00 0.00 O ATOM 1787 CB PRO A 118 39.794 16.575 -1.878 1.00 0.00 C ATOM 1788 CG PRO A 118 39.233 16.715 -3.250 1.00 0.00 C ATOM 1789 CD PRO A 118 37.914 15.994 -3.234 1.00 0.00 C ATOM 0 HA PRO A 118 38.694 15.944 -0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 118 40.464 17.400 -1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 118 40.372 15.656 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 118 39.101 17.765 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 118 39.905 16.283 -3.992 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.190 16.467 -3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.018 14.959 -3.561 1.00 0.00 H new ATOM 1797 N HIS A 119 37.199 18.564 -0.876 1.00 0.00 N ATOM 1798 CA HIS A 119 36.822 19.905 -0.442 1.00 0.00 C ATOM 1799 C HIS A 119 37.998 20.868 -0.571 1.00 0.00 C ATOM 1800 O HIS A 119 38.270 21.658 0.333 1.00 0.00 O ATOM 1801 CB HIS A 119 36.328 19.876 1.004 1.00 0.00 C ATOM 1802 CG HIS A 119 35.980 21.228 1.545 1.00 0.00 C ATOM 1803 ND1 HIS A 119 35.208 22.139 0.855 1.00 0.00 N ATOM 1804 CD2 HIS A 119 36.302 21.822 2.718 1.00 0.00 C ATOM 1805 CE1 HIS A 119 35.072 23.236 1.580 1.00 0.00 C ATOM 1806 NE2 HIS A 119 35.726 23.068 2.715 1.00 0.00 N ATOM 0 H HIS A 119 36.555 18.140 -1.544 1.00 0.00 H new ATOM 0 HA HIS A 119 36.016 20.255 -1.086 1.00 0.00 H new ATOM 0 HB2 HIS A 119 35.451 19.232 1.067 1.00 0.00 H new ATOM 0 HB3 HIS A 119 37.098 19.429 1.633 1.00 0.00 H new ATOM 0 HD2 HIS A 119 36.901 21.395 3.509 1.00 0.00 H new ATOM 0 HE1 HIS A 119 34.520 24.119 1.293 1.00 0.00 H new ATOM 0 HE2 HIS A 119 35.792 23.753 3.468 1.00 0.00 H new ATOM 1815 N THR A 120 38.695 20.795 -1.701 1.00 0.00 N ATOM 1816 CA THR A 120 39.843 21.659 -1.947 1.00 0.00 C ATOM 1817 C THR A 120 39.544 22.671 -3.047 1.00 0.00 C ATOM 1818 O THR A 120 39.769 22.405 -4.227 1.00 0.00 O ATOM 1819 CB THR A 120 41.087 20.840 -2.343 1.00 0.00 C ATOM 1820 OG1 THR A 120 41.320 19.807 -1.381 1.00 0.00 O ATOM 1821 CG2 THR A 120 42.314 21.734 -2.442 1.00 0.00 C ATOM 0 H THR A 120 38.484 20.147 -2.460 1.00 0.00 H new ATOM 0 HA THR A 120 40.046 22.188 -1.016 1.00 0.00 H new ATOM 0 HB THR A 120 40.904 20.391 -3.319 1.00 0.00 H new ATOM 0 HG1 THR A 120 42.111 19.290 -1.641 1.00 0.00 H new ATOM 0 HG21 THR A 120 43.180 21.134 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A 120 42.145 22.502 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 120 42.498 22.207 -1.478 1.00 0.00 H new ATOM 1829 N SER A 121 39.036 23.834 -2.652 1.00 0.00 N ATOM 1830 CA SER A 121 38.703 24.886 -3.605 1.00 0.00 C ATOM 1831 C SER A 121 39.964 25.464 -4.240 1.00 0.00 C ATOM 1832 O SER A 121 40.123 25.445 -5.459 1.00 0.00 O ATOM 1833 CB SER A 121 37.911 25.998 -2.913 1.00 0.00 C ATOM 1834 OG SER A 121 36.631 25.540 -2.513 1.00 0.00 O ATOM 0 H SER A 121 38.846 24.071 -1.678 1.00 0.00 H new ATOM 0 HA SER A 121 38.089 24.448 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 121 38.462 26.353 -2.042 1.00 0.00 H new ATOM 0 HB3 SER A 121 37.802 26.846 -3.589 1.00 0.00 H new ATOM 0 HG SER A 121 36.146 26.269 -2.072 1.00 0.00 H new ATOM 1840 N GLY A 122 40.859 25.977 -3.401 1.00 0.00 N ATOM 1841 CA GLY A 122 42.095 26.553 -3.897 1.00 0.00 C ATOM 1842 C GLY A 122 42.203 28.036 -3.604 1.00 0.00 C ATOM 1843 O GLY A 122 41.421 28.597 -2.835 1.00 0.00 O ATOM 0 H GLY A 122 40.750 26.004 -2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 122 42.941 26.034 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 122 42.161 26.393 -4.973 1.00 0.00 H new ATOM 1847 N PRO A 123 43.192 28.696 -4.224 1.00 0.00 N ATOM 1848 CA PRO A 123 43.423 30.132 -4.039 1.00 0.00 C ATOM 1849 C PRO A 123 42.327 30.982 -4.673 1.00 0.00 C ATOM 1850 O PRO A 123 41.931 30.750 -5.815 1.00 0.00 O ATOM 1851 CB PRO A 123 44.760 30.370 -4.746 1.00 0.00 C ATOM 1852 CG PRO A 123 44.852 29.282 -5.759 1.00 0.00 C ATOM 1853 CD PRO A 123 44.161 28.092 -5.153 1.00 0.00 C ATOM 0 HA PRO A 123 43.426 30.412 -2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 123 44.789 31.353 -5.217 1.00 0.00 H new ATOM 0 HB3 PRO A 123 45.592 30.328 -4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 123 44.374 29.577 -6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 123 45.892 29.053 -5.992 1.00 0.00 H new ATOM 0 HD2 PRO A 123 43.666 27.486 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 123 44.864 27.441 -4.633 1.00 0.00 H new ATOM 1861 N SER A 124 41.842 31.967 -3.925 1.00 0.00 N ATOM 1862 CA SER A 124 40.788 32.850 -4.413 1.00 0.00 C ATOM 1863 C SER A 124 41.360 33.914 -5.345 1.00 0.00 C ATOM 1864 O SER A 124 42.423 34.477 -5.084 1.00 0.00 O ATOM 1865 CB SER A 124 40.068 33.517 -3.239 1.00 0.00 C ATOM 1866 OG SER A 124 40.986 34.187 -2.392 1.00 0.00 O ATOM 0 H SER A 124 42.161 32.174 -2.979 1.00 0.00 H new ATOM 0 HA SER A 124 40.073 32.247 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 124 39.331 34.227 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 124 39.523 32.765 -2.668 1.00 0.00 H new ATOM 0 HG SER A 124 40.501 34.606 -1.651 1.00 0.00 H new ATOM 1872 N SER A 125 40.646 34.183 -6.433 1.00 0.00 N ATOM 1873 CA SER A 125 41.083 35.177 -7.407 1.00 0.00 C ATOM 1874 C SER A 125 39.951 35.531 -8.367 1.00 0.00 C ATOM 1875 O SER A 125 38.886 34.915 -8.343 1.00 0.00 O ATOM 1876 CB SER A 125 42.288 34.656 -8.193 1.00 0.00 C ATOM 1877 OG SER A 125 42.019 33.384 -8.756 1.00 0.00 O ATOM 0 H SER A 125 39.763 33.727 -6.662 1.00 0.00 H new ATOM 0 HA SER A 125 41.372 36.078 -6.865 1.00 0.00 H new ATOM 0 HB2 SER A 125 42.542 35.361 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 125 43.154 34.590 -7.535 1.00 0.00 H new ATOM 0 HG SER A 125 42.804 33.074 -9.254 1.00 0.00 H new ATOM 1883 N GLY A 126 40.190 36.530 -9.211 1.00 0.00 N ATOM 1884 CA GLY A 126 39.182 36.951 -10.167 1.00 0.00 C ATOM 1885 C GLY A 126 39.657 38.090 -11.047 1.00 0.00 C ATOM 1886 O GLY A 126 39.757 39.231 -10.597 1.00 0.00 O ATOM 0 H GLY A 126 41.063 37.055 -9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 126 38.904 36.104 -10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 126 38.284 37.260 -9.631 1.00 0.00 H new TER 1890 GLY A 126