USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 904 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 94 SER OG : rot -88:sc= 1.08 USER MOD Set 1.2: A 109 THR OG1 : rot -32:sc= 0.884 USER MOD Set 2.1: A 96 MET CE :methyl 147:sc= -3.73! (180deg=-5.83!) USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 48 GLN : amide:sc= -0.629 K(o=-0.18,f=-1.4) USER MOD Set 3.2: A 51 SER OG : rot -154:sc= 0.444 USER MOD Set 4.1: A 31 THR OG1 : rot -92:sc= 0.531 USER MOD Set 4.2: A 32 HIS : no HD1:sc= 0.00543 K(o=0.54,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0259 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -56:sc= 0.0233 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 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 135:sc= -5.52! (180deg=-5.98!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -2.47! C(o=-2.5!,f=-4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.059 K(o=-0.059,f=-0.96) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 40:sc= -1.1 USER MOD Single : A 63 SER OG : rot -112:sc= 1.12 USER MOD Single : A 65 SER OG : rot -150:sc= -0.879 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= -0.0119 (180deg=-0.177) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= -0.0958 (180deg=-0.503) USER MOD Single : A 72 SER OG : rot 25:sc= 0.248 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 34:sc= 0.057 USER MOD Single : A 80 TYR OH : rot 130:sc= -1.01 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc=-0.00255 X(o=-0.0025,f=0) USER MOD Single : A 89 THR OG1 : rot 71:sc= 0.626 USER MOD Single : A 90 MET CE :methyl -134:sc= -0.302 (180deg=-1.37!) USER MOD Single : A 91 TYR OH : rot 87:sc= 1.27 USER MOD Single : A 99 LYS NZ :NH3+ 151:sc= 0.0482 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.8) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= -0.703! USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 107 SER OG : rot 130:sc= 0.611 USER MOD Single : A 108 MET CE :methyl -121:sc= 0 (180deg=-0.721) USER MOD Single : A 111 HIS : no HD1:sc= -0.845 K(o=-0.84,f=-2.4) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.762 USER MOD Single : A 114 THR OG1 : rot -169:sc= 1.94 USER MOD Single : A 115 TYR OH : rot -7:sc= 0.451 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= -0.178 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.104 -10.044 1.222 1.00 0.00 N ATOM 2 CA GLY A 1 -9.041 -9.861 2.660 1.00 0.00 C ATOM 3 C GLY A 1 -7.617 -9.792 3.175 1.00 0.00 C ATOM 4 O GLY A 1 -6.712 -9.361 2.460 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.913 -9.514 0.840 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.225 -9.695 0.789 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.219 -11.055 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.566 -8.945 2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.562 -10.683 3.151 1.00 0.00 H new ATOM 8 N SER A 2 -7.417 -10.218 4.418 1.00 0.00 N ATOM 9 CA SER A 2 -6.093 -10.197 5.029 1.00 0.00 C ATOM 10 C SER A 2 -6.025 -11.162 6.210 1.00 0.00 C ATOM 11 O SER A 2 -7.024 -11.400 6.889 1.00 0.00 O ATOM 12 CB SER A 2 -5.743 -8.782 5.492 1.00 0.00 C ATOM 13 OG SER A 2 -4.526 -8.768 6.217 1.00 0.00 O ATOM 0 H SER A 2 -8.154 -10.582 5.022 1.00 0.00 H new ATOM 0 HA SER A 2 -5.369 -10.515 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.662 -8.123 4.628 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.546 -8.391 6.117 1.00 0.00 H new ATOM 0 HG SER A 2 -4.324 -7.852 6.500 1.00 0.00 H new ATOM 19 N SER A 3 -4.840 -11.713 6.448 1.00 0.00 N ATOM 20 CA SER A 3 -4.641 -12.655 7.543 1.00 0.00 C ATOM 21 C SER A 3 -4.009 -11.962 8.747 1.00 0.00 C ATOM 22 O SER A 3 -3.113 -12.506 9.391 1.00 0.00 O ATOM 23 CB SER A 3 -3.758 -13.819 7.089 1.00 0.00 C ATOM 24 OG SER A 3 -4.514 -14.787 6.383 1.00 0.00 O ATOM 0 H SER A 3 -4.003 -11.524 5.897 1.00 0.00 H new ATOM 0 HA SER A 3 -5.616 -13.042 7.838 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.956 -13.445 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.287 -14.282 7.956 1.00 0.00 H new ATOM 0 HG SER A 3 -3.927 -15.520 6.102 1.00 0.00 H new ATOM 30 N GLY A 4 -4.484 -10.757 9.045 1.00 0.00 N ATOM 31 CA GLY A 4 -3.956 -10.008 10.170 1.00 0.00 C ATOM 32 C GLY A 4 -4.639 -10.364 11.475 1.00 0.00 C ATOM 33 O GLY A 4 -3.990 -10.462 12.517 1.00 0.00 O ATOM 0 H GLY A 4 -5.226 -10.286 8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.887 -10.198 10.259 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.075 -8.941 9.980 1.00 0.00 H new ATOM 37 N SER A 5 -5.953 -10.556 11.421 1.00 0.00 N ATOM 38 CA SER A 5 -6.725 -10.898 12.610 1.00 0.00 C ATOM 39 C SER A 5 -6.815 -9.707 13.559 1.00 0.00 C ATOM 40 O SER A 5 -6.694 -9.858 14.775 1.00 0.00 O ATOM 41 CB SER A 5 -6.094 -12.091 13.328 1.00 0.00 C ATOM 42 OG SER A 5 -7.029 -12.724 14.185 1.00 0.00 O ATOM 0 H SER A 5 -6.505 -10.481 10.567 1.00 0.00 H new ATOM 0 HA SER A 5 -7.733 -11.166 12.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.726 -12.808 12.594 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.233 -11.757 13.907 1.00 0.00 H new ATOM 0 HG SER A 5 -7.387 -12.069 14.820 1.00 0.00 H new ATOM 48 N SER A 6 -7.029 -8.523 12.995 1.00 0.00 N ATOM 49 CA SER A 6 -7.132 -7.305 13.790 1.00 0.00 C ATOM 50 C SER A 6 -5.826 -7.026 14.528 1.00 0.00 C ATOM 51 O SER A 6 -5.831 -6.616 15.688 1.00 0.00 O ATOM 52 CB SER A 6 -8.283 -7.420 14.792 1.00 0.00 C ATOM 53 OG SER A 6 -9.528 -7.155 14.171 1.00 0.00 O ATOM 0 H SER A 6 -7.134 -8.381 11.990 1.00 0.00 H new ATOM 0 HA SER A 6 -7.331 -6.474 13.113 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.294 -8.421 15.224 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.126 -6.720 15.613 1.00 0.00 H new ATOM 0 HG SER A 6 -10.247 -7.237 14.832 1.00 0.00 H new ATOM 59 N GLY A 7 -4.708 -7.250 13.844 1.00 0.00 N ATOM 60 CA GLY A 7 -3.409 -7.018 14.450 1.00 0.00 C ATOM 61 C GLY A 7 -2.815 -5.682 14.053 1.00 0.00 C ATOM 62 O GLY A 7 -2.049 -5.595 13.093 1.00 0.00 O ATOM 0 H GLY A 7 -4.678 -7.588 12.882 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.505 -7.062 15.535 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.727 -7.817 14.158 1.00 0.00 H new ATOM 66 N PHE A 8 -3.171 -4.635 14.791 1.00 0.00 N ATOM 67 CA PHE A 8 -2.670 -3.295 14.509 1.00 0.00 C ATOM 68 C PHE A 8 -2.120 -2.643 15.774 1.00 0.00 C ATOM 69 O PHE A 8 -2.862 -2.122 16.607 1.00 0.00 O ATOM 70 CB PHE A 8 -3.781 -2.427 13.915 1.00 0.00 C ATOM 71 CG PHE A 8 -3.392 -0.985 13.753 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.519 -0.597 12.750 1.00 0.00 C ATOM 73 CD2 PHE A 8 -3.901 -0.017 14.605 1.00 0.00 C ATOM 74 CE1 PHE A 8 -2.160 0.729 12.598 1.00 0.00 C ATOM 75 CE2 PHE A 8 -3.546 1.311 14.457 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.673 1.684 13.454 1.00 0.00 C ATOM 0 H PHE A 8 -3.804 -4.689 15.589 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.860 -3.381 13.785 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.066 -2.830 12.943 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.661 -2.488 14.555 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.114 -1.340 12.079 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.582 -0.303 15.393 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.479 1.018 11.811 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.951 2.056 15.125 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.392 2.720 13.339 1.00 0.00 H new ATOM 86 N PRO A 9 -0.787 -2.672 15.923 1.00 0.00 N ATOM 87 CA PRO A 9 -0.108 -2.089 17.084 1.00 0.00 C ATOM 88 C PRO A 9 -0.173 -0.565 17.088 1.00 0.00 C ATOM 89 O PRO A 9 -0.584 0.052 16.105 1.00 0.00 O ATOM 90 CB PRO A 9 1.339 -2.562 16.922 1.00 0.00 C ATOM 91 CG PRO A 9 1.498 -2.801 15.460 1.00 0.00 C ATOM 92 CD PRO A 9 0.159 -3.277 14.970 1.00 0.00 C ATOM 0 HA PRO A 9 -0.569 -2.396 18.023 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.043 -1.811 17.279 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.525 -3.471 17.494 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.800 -1.888 14.946 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.271 -3.545 15.268 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.035 -2.950 13.949 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.093 -4.365 14.974 1.00 0.00 H new ATOM 100 N THR A 10 0.236 0.037 18.201 1.00 0.00 N ATOM 101 CA THR A 10 0.224 1.488 18.334 1.00 0.00 C ATOM 102 C THR A 10 1.326 2.126 17.497 1.00 0.00 C ATOM 103 O THR A 10 2.466 1.662 17.497 1.00 0.00 O ATOM 104 CB THR A 10 0.395 1.919 19.802 1.00 0.00 C ATOM 105 OG1 THR A 10 -0.643 1.346 20.605 1.00 0.00 O ATOM 106 CG2 THR A 10 0.361 3.435 19.929 1.00 0.00 C ATOM 0 H THR A 10 0.580 -0.459 19.023 1.00 0.00 H new ATOM 0 HA THR A 10 -0.746 1.830 17.974 1.00 0.00 H new ATOM 0 HB THR A 10 1.364 1.562 20.151 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.526 1.624 21.538 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.484 3.715 20.975 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.170 3.868 19.340 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.595 3.809 19.563 1.00 0.00 H new ATOM 114 N SER A 11 0.979 3.193 16.784 1.00 0.00 N ATOM 115 CA SER A 11 1.940 3.893 15.940 1.00 0.00 C ATOM 116 C SER A 11 2.020 5.370 16.317 1.00 0.00 C ATOM 117 O SER A 11 1.103 6.144 16.041 1.00 0.00 O ATOM 118 CB SER A 11 1.554 3.752 14.466 1.00 0.00 C ATOM 119 OG SER A 11 2.534 4.334 13.624 1.00 0.00 O ATOM 0 H SER A 11 0.040 3.591 16.774 1.00 0.00 H new ATOM 0 HA SER A 11 2.920 3.442 16.097 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.436 2.697 14.217 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.590 4.230 14.292 1.00 0.00 H new ATOM 0 HG SER A 11 2.265 4.229 12.688 1.00 0.00 H new ATOM 125 N VAL A 12 3.124 5.753 16.950 1.00 0.00 N ATOM 126 CA VAL A 12 3.326 7.136 17.366 1.00 0.00 C ATOM 127 C VAL A 12 3.256 8.083 16.173 1.00 0.00 C ATOM 128 O VAL A 12 3.709 7.770 15.072 1.00 0.00 O ATOM 129 CB VAL A 12 4.683 7.317 18.072 1.00 0.00 C ATOM 130 CG1 VAL A 12 4.744 6.473 19.336 1.00 0.00 C ATOM 131 CG2 VAL A 12 5.825 6.966 17.130 1.00 0.00 C ATOM 0 H VAL A 12 3.892 5.125 17.186 1.00 0.00 H new ATOM 0 HA VAL A 12 2.526 7.377 18.066 1.00 0.00 H new ATOM 0 HB VAL A 12 4.788 8.364 18.358 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.710 6.614 19.821 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.948 6.778 20.016 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.617 5.422 19.078 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.776 7.100 17.646 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.728 5.928 16.811 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.790 7.618 16.257 1.00 0.00 H new ATOM 141 N PRO A 13 2.674 9.272 16.395 1.00 0.00 N ATOM 142 CA PRO A 13 2.532 10.290 15.351 1.00 0.00 C ATOM 143 C PRO A 13 3.869 10.908 14.957 1.00 0.00 C ATOM 144 O PRO A 13 4.299 11.904 15.540 1.00 0.00 O ATOM 145 CB PRO A 13 1.628 11.341 16.002 1.00 0.00 C ATOM 146 CG PRO A 13 1.849 11.176 17.466 1.00 0.00 C ATOM 147 CD PRO A 13 2.112 9.712 17.683 1.00 0.00 C ATOM 0 HA PRO A 13 2.129 9.873 14.428 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.890 12.347 15.673 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.582 11.181 15.739 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.693 11.778 17.804 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.977 11.504 18.032 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.810 9.546 18.504 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.198 9.171 17.928 1.00 0.00 H new ATOM 155 N ASP A 14 4.521 10.313 13.966 1.00 0.00 N ATOM 156 CA ASP A 14 5.810 10.806 13.493 1.00 0.00 C ATOM 157 C ASP A 14 5.796 12.326 13.366 1.00 0.00 C ATOM 158 O ASP A 14 4.733 12.947 13.334 1.00 0.00 O ATOM 159 CB ASP A 14 6.159 10.172 12.146 1.00 0.00 C ATOM 160 CG ASP A 14 6.101 8.658 12.186 1.00 0.00 C ATOM 161 OD1 ASP A 14 4.997 8.111 12.392 1.00 0.00 O ATOM 162 OD2 ASP A 14 7.160 8.019 12.011 1.00 0.00 O ATOM 0 H ASP A 14 4.179 9.488 13.474 1.00 0.00 H new ATOM 0 HA ASP A 14 6.569 10.527 14.224 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.470 10.539 11.386 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.159 10.487 11.848 1.00 0.00 H new ATOM 167 N LEU A 15 6.983 12.919 13.295 1.00 0.00 N ATOM 168 CA LEU A 15 7.108 14.367 13.172 1.00 0.00 C ATOM 169 C LEU A 15 6.207 14.900 12.063 1.00 0.00 C ATOM 170 O LEU A 15 5.527 14.134 11.380 1.00 0.00 O ATOM 171 CB LEU A 15 8.562 14.752 12.893 1.00 0.00 C ATOM 172 CG LEU A 15 9.427 13.673 12.240 1.00 0.00 C ATOM 173 CD1 LEU A 15 8.703 13.050 11.057 1.00 0.00 C ATOM 174 CD2 LEU A 15 10.764 14.254 11.803 1.00 0.00 C ATOM 0 H LEU A 15 7.872 12.420 13.320 1.00 0.00 H new ATOM 0 HA LEU A 15 6.795 14.815 14.115 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.567 15.632 12.250 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.027 15.042 13.835 1.00 0.00 H new ATOM 0 HG LEU A 15 9.615 12.891 12.976 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.335 12.285 10.606 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.772 12.597 11.398 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.483 13.821 10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.367 13.472 11.340 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.595 15.055 11.084 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.289 14.651 12.672 1.00 0.00 H new ATOM 186 N SER A 16 6.209 16.217 11.887 1.00 0.00 N ATOM 187 CA SER A 16 5.390 16.853 10.861 1.00 0.00 C ATOM 188 C SER A 16 6.161 16.975 9.550 1.00 0.00 C ATOM 189 O SER A 16 7.376 16.780 9.509 1.00 0.00 O ATOM 190 CB SER A 16 4.933 18.236 11.328 1.00 0.00 C ATOM 191 OG SER A 16 6.042 19.072 11.608 1.00 0.00 O ATOM 0 H SER A 16 6.769 16.865 12.441 1.00 0.00 H new ATOM 0 HA SER A 16 4.514 16.228 10.690 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.312 18.696 10.559 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.315 18.136 12.220 1.00 0.00 H new ATOM 0 HG SER A 16 5.723 19.951 11.903 1.00 0.00 H new ATOM 197 N THR A 17 5.445 17.300 8.478 1.00 0.00 N ATOM 198 CA THR A 17 6.060 17.448 7.165 1.00 0.00 C ATOM 199 C THR A 17 5.308 18.468 6.317 1.00 0.00 C ATOM 200 O THR A 17 4.100 18.661 6.461 1.00 0.00 O ATOM 201 CB THR A 17 6.105 16.105 6.411 1.00 0.00 C ATOM 202 OG1 THR A 17 4.777 15.604 6.223 1.00 0.00 O ATOM 203 CG2 THR A 17 6.935 15.084 7.175 1.00 0.00 C ATOM 0 H THR A 17 4.439 17.466 8.494 1.00 0.00 H new ATOM 0 HA THR A 17 7.079 17.798 7.331 1.00 0.00 H new ATOM 0 HB THR A 17 6.569 16.274 5.439 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.814 14.751 5.742 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.953 14.144 6.624 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.953 15.456 7.291 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.495 14.920 8.159 1.00 0.00 H new ATOM 211 N PRO A 18 6.036 19.137 5.411 1.00 0.00 N ATOM 212 CA PRO A 18 5.457 20.148 4.521 1.00 0.00 C ATOM 213 C PRO A 18 4.533 19.538 3.473 1.00 0.00 C ATOM 214 O PRO A 18 4.027 20.236 2.595 1.00 0.00 O ATOM 215 CB PRO A 18 6.682 20.777 3.854 1.00 0.00 C ATOM 216 CG PRO A 18 7.730 19.719 3.912 1.00 0.00 C ATOM 217 CD PRO A 18 7.480 18.958 5.185 1.00 0.00 C ATOM 0 HA PRO A 18 4.837 20.862 5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.468 21.066 2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.000 21.678 4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.668 19.061 3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.728 20.158 3.909 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.743 17.905 5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.068 19.354 6.012 1.00 0.00 H new ATOM 225 N MET A 19 4.318 18.230 3.570 1.00 0.00 N ATOM 226 CA MET A 19 3.454 17.526 2.630 1.00 0.00 C ATOM 227 C MET A 19 2.393 16.716 3.369 1.00 0.00 C ATOM 228 O MET A 19 2.314 16.752 4.597 1.00 0.00 O ATOM 229 CB MET A 19 4.283 16.604 1.734 1.00 0.00 C ATOM 230 CG MET A 19 4.892 17.310 0.533 1.00 0.00 C ATOM 231 SD MET A 19 3.659 17.776 -0.697 1.00 0.00 S ATOM 232 CE MET A 19 3.482 16.238 -1.598 1.00 0.00 C ATOM 0 H MET A 19 4.730 17.637 4.290 1.00 0.00 H new ATOM 0 HA MET A 19 2.953 18.269 2.010 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.082 16.158 2.326 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.652 15.788 1.384 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.419 18.203 0.870 1.00 0.00 H new ATOM 0 HG3 MET A 19 5.633 16.658 0.070 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.424 16.032 -1.762 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.989 16.319 -2.559 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.924 15.426 -1.022 1.00 0.00 H new ATOM 242 N LEU A 20 1.579 15.987 2.613 1.00 0.00 N ATOM 243 CA LEU A 20 0.522 15.168 3.196 1.00 0.00 C ATOM 244 C LEU A 20 0.189 13.985 2.294 1.00 0.00 C ATOM 245 O LEU A 20 -0.335 14.142 1.191 1.00 0.00 O ATOM 246 CB LEU A 20 -0.732 16.012 3.433 1.00 0.00 C ATOM 247 CG LEU A 20 -1.677 15.517 4.529 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.290 14.180 4.141 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.942 15.404 5.856 1.00 0.00 C ATOM 0 H LEU A 20 1.631 15.946 1.595 1.00 0.00 H new ATOM 0 HA LEU A 20 0.880 14.783 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.421 17.027 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.290 16.068 2.498 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.482 16.243 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.959 13.843 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.852 14.293 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.498 13.445 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.630 15.050 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.117 14.699 5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.552 16.381 6.140 1.00 0.00 H new ATOM 261 N PRO A 21 0.497 12.770 2.772 1.00 0.00 N ATOM 262 CA PRO A 21 0.237 11.536 2.025 1.00 0.00 C ATOM 263 C PRO A 21 -1.252 11.224 1.921 1.00 0.00 C ATOM 264 O PRO A 21 -2.085 11.824 2.601 1.00 0.00 O ATOM 265 CB PRO A 21 0.952 10.464 2.852 1.00 0.00 C ATOM 266 CG PRO A 21 0.996 11.018 4.234 1.00 0.00 C ATOM 267 CD PRO A 21 1.124 12.509 4.078 1.00 0.00 C ATOM 0 HA PRO A 21 0.586 11.602 0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.414 9.517 2.822 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.955 10.273 2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.093 10.759 4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.839 10.610 4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.616 13.042 4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.167 12.827 4.094 1.00 0.00 H new ATOM 275 N PRO A 22 -1.597 10.265 1.050 1.00 0.00 N ATOM 276 CA PRO A 22 -2.987 9.851 0.838 1.00 0.00 C ATOM 277 C PRO A 22 -3.560 9.104 2.038 1.00 0.00 C ATOM 278 O PRO A 22 -2.884 8.926 3.051 1.00 0.00 O ATOM 279 CB PRO A 22 -2.900 8.924 -0.377 1.00 0.00 C ATOM 280 CG PRO A 22 -1.505 8.401 -0.355 1.00 0.00 C ATOM 281 CD PRO A 22 -0.656 9.509 0.206 1.00 0.00 C ATOM 0 HA PRO A 22 -3.648 10.705 0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.627 8.115 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.106 9.463 -1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.434 7.505 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.175 8.126 -1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.181 9.120 0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.235 10.132 -0.583 1.00 0.00 H new ATOM 289 N VAL A 23 -4.810 8.669 1.917 1.00 0.00 N ATOM 290 CA VAL A 23 -5.473 7.940 2.991 1.00 0.00 C ATOM 291 C VAL A 23 -6.384 6.851 2.436 1.00 0.00 C ATOM 292 O VAL A 23 -6.461 6.649 1.225 1.00 0.00 O ATOM 293 CB VAL A 23 -6.303 8.884 3.881 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.420 9.966 4.482 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.445 9.499 3.085 1.00 0.00 C ATOM 0 H VAL A 23 -5.384 8.809 1.085 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.689 7.481 3.593 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.730 8.302 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.024 10.623 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.640 9.504 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.961 10.547 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.021 10.163 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.040 10.067 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.093 8.708 2.707 1.00 0.00 H new ATOM 305 N GLY A 24 -7.074 6.151 3.331 1.00 0.00 N ATOM 306 CA GLY A 24 -7.972 5.091 2.911 1.00 0.00 C ATOM 307 C GLY A 24 -7.318 4.128 1.940 1.00 0.00 C ATOM 308 O GLY A 24 -7.973 3.603 1.039 1.00 0.00 O ATOM 0 H GLY A 24 -7.027 6.299 4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.315 4.541 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.854 5.530 2.444 1.00 0.00 H new ATOM 312 N VAL A 25 -6.022 3.897 2.121 1.00 0.00 N ATOM 313 CA VAL A 25 -5.278 2.991 1.253 1.00 0.00 C ATOM 314 C VAL A 25 -5.801 1.564 1.371 1.00 0.00 C ATOM 315 O VAL A 25 -5.586 0.896 2.382 1.00 0.00 O ATOM 316 CB VAL A 25 -3.774 3.005 1.584 1.00 0.00 C ATOM 317 CG1 VAL A 25 -2.999 2.164 0.581 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.249 4.432 1.615 1.00 0.00 C ATOM 0 H VAL A 25 -5.465 4.325 2.861 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.420 3.343 0.231 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.633 2.569 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.938 2.186 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.359 1.136 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.144 2.567 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.185 4.423 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.401 4.897 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.784 5.000 2.376 1.00 0.00 H new ATOM 328 N GLN A 26 -6.487 1.103 0.330 1.00 0.00 N ATOM 329 CA GLN A 26 -7.041 -0.246 0.318 1.00 0.00 C ATOM 330 C GLN A 26 -6.380 -1.096 -0.762 1.00 0.00 C ATOM 331 O GLN A 26 -6.166 -0.636 -1.884 1.00 0.00 O ATOM 332 CB GLN A 26 -8.553 -0.198 0.092 1.00 0.00 C ATOM 333 CG GLN A 26 -9.210 -1.568 0.078 1.00 0.00 C ATOM 334 CD GLN A 26 -10.705 -1.496 -0.165 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.253 -0.424 -0.422 1.00 0.00 O ATOM 336 NE2 GLN A 26 -11.373 -2.641 -0.086 1.00 0.00 N ATOM 0 H GLN A 26 -6.672 1.643 -0.515 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.841 -0.702 1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.010 0.407 0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.755 0.302 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.749 -2.180 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.024 -2.066 1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.878 -3.506 0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.381 -2.655 -0.241 1.00 0.00 H new ATOM 345 N ALA A 27 -6.057 -2.338 -0.416 1.00 0.00 N ATOM 346 CA ALA A 27 -5.422 -3.252 -1.357 1.00 0.00 C ATOM 347 C ALA A 27 -6.384 -4.356 -1.785 1.00 0.00 C ATOM 348 O ALA A 27 -6.609 -5.317 -1.049 1.00 0.00 O ATOM 349 CB ALA A 27 -4.166 -3.853 -0.743 1.00 0.00 C ATOM 0 H ALA A 27 -6.225 -2.734 0.509 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.144 -2.684 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.702 -4.534 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.466 -3.056 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.430 -4.401 0.162 1.00 0.00 H new ATOM 355 N VAL A 28 -6.951 -4.211 -2.979 1.00 0.00 N ATOM 356 CA VAL A 28 -7.888 -5.195 -3.504 1.00 0.00 C ATOM 357 C VAL A 28 -7.174 -6.227 -4.371 1.00 0.00 C ATOM 358 O VAL A 28 -6.363 -5.877 -5.227 1.00 0.00 O ATOM 359 CB VAL A 28 -9.000 -4.525 -4.334 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.159 -5.486 -4.549 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.474 -3.249 -3.656 1.00 0.00 C ATOM 0 H VAL A 28 -6.777 -3.421 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.336 -5.694 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.592 -4.262 -5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.934 -4.995 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.805 -6.370 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.569 -5.783 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.259 -2.789 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.865 -3.486 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.638 -2.556 -3.559 1.00 0.00 H new ATOM 371 N ALA A 29 -7.483 -7.499 -4.142 1.00 0.00 N ATOM 372 CA ALA A 29 -6.872 -8.582 -4.904 1.00 0.00 C ATOM 373 C ALA A 29 -7.766 -9.009 -6.063 1.00 0.00 C ATOM 374 O ALA A 29 -8.847 -9.562 -5.856 1.00 0.00 O ATOM 375 CB ALA A 29 -6.580 -9.767 -3.995 1.00 0.00 C ATOM 0 H ALA A 29 -8.152 -7.805 -3.436 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.933 -8.217 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.124 -10.568 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.897 -9.459 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.510 -10.124 -3.552 1.00 0.00 H new ATOM 381 N LEU A 30 -7.309 -8.749 -7.283 1.00 0.00 N ATOM 382 CA LEU A 30 -8.068 -9.106 -8.477 1.00 0.00 C ATOM 383 C LEU A 30 -7.880 -10.580 -8.820 1.00 0.00 C ATOM 384 O LEU A 30 -8.851 -11.315 -9.004 1.00 0.00 O ATOM 385 CB LEU A 30 -7.636 -8.236 -9.659 1.00 0.00 C ATOM 386 CG LEU A 30 -7.409 -6.755 -9.355 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.536 -6.118 -10.425 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.739 -6.024 -9.243 1.00 0.00 C ATOM 0 H LEU A 30 -6.417 -8.292 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.124 -8.931 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.714 -8.648 -10.069 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.394 -8.314 -10.438 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.892 -6.675 -8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.385 -5.064 -10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.571 -6.624 -10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.025 -6.209 -11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.558 -4.971 -9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.283 -6.113 -10.183 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.329 -6.464 -8.439 1.00 0.00 H new ATOM 400 N THR A 31 -6.624 -11.008 -8.903 1.00 0.00 N ATOM 401 CA THR A 31 -6.308 -12.395 -9.223 1.00 0.00 C ATOM 402 C THR A 31 -5.013 -12.833 -8.550 1.00 0.00 C ATOM 403 O THR A 31 -4.325 -12.028 -7.921 1.00 0.00 O ATOM 404 CB THR A 31 -6.180 -12.605 -10.744 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.460 -13.970 -11.075 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.785 -12.237 -11.225 1.00 0.00 C ATOM 0 H THR A 31 -5.809 -10.414 -8.753 1.00 0.00 H new ATOM 0 HA THR A 31 -7.132 -13.002 -8.848 1.00 0.00 H new ATOM 0 HB THR A 31 -6.901 -11.956 -11.241 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.625 -14.482 -11.084 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.718 -12.393 -12.302 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.586 -11.190 -10.997 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.049 -12.864 -10.721 1.00 0.00 H new ATOM 414 N HIS A 32 -4.685 -14.114 -8.686 1.00 0.00 N ATOM 415 CA HIS A 32 -3.470 -14.659 -8.091 1.00 0.00 C ATOM 416 C HIS A 32 -2.283 -13.731 -8.332 1.00 0.00 C ATOM 417 O HIS A 32 -1.496 -13.466 -7.424 1.00 0.00 O ATOM 418 CB HIS A 32 -3.173 -16.045 -8.665 1.00 0.00 C ATOM 419 CG HIS A 32 -3.096 -16.070 -10.160 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.210 -16.102 -10.971 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.027 -16.066 -10.991 1.00 0.00 C ATOM 422 CE1 HIS A 32 -3.831 -16.118 -12.237 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.511 -16.096 -12.276 1.00 0.00 N ATOM 0 H HIS A 32 -5.243 -14.794 -9.203 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.629 -14.745 -7.016 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.229 -16.405 -8.255 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.948 -16.738 -8.338 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.988 -16.043 -10.698 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.488 -16.145 -13.093 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -1.943 -16.101 -13.123 1.00 0.00 H new ATOM 432 N ASP A 33 -2.161 -13.243 -9.561 1.00 0.00 N ATOM 433 CA ASP A 33 -1.071 -12.344 -9.922 1.00 0.00 C ATOM 434 C ASP A 33 -1.604 -10.963 -10.289 1.00 0.00 C ATOM 435 O ASP A 33 -1.138 -10.340 -11.243 1.00 0.00 O ATOM 436 CB ASP A 33 -0.270 -12.922 -11.090 1.00 0.00 C ATOM 437 CG ASP A 33 0.683 -14.017 -10.652 1.00 0.00 C ATOM 438 OD1 ASP A 33 0.428 -14.640 -9.600 1.00 0.00 O ATOM 439 OD2 ASP A 33 1.684 -14.251 -11.361 1.00 0.00 O ATOM 0 H ASP A 33 -2.803 -13.455 -10.324 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.416 -12.242 -9.057 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.957 -13.320 -11.837 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.295 -12.123 -11.570 1.00 0.00 H new ATOM 444 N ALA A 34 -2.584 -10.490 -9.527 1.00 0.00 N ATOM 445 CA ALA A 34 -3.180 -9.183 -9.771 1.00 0.00 C ATOM 446 C ALA A 34 -3.763 -8.597 -8.490 1.00 0.00 C ATOM 447 O ALA A 34 -4.476 -9.278 -7.752 1.00 0.00 O ATOM 448 CB ALA A 34 -4.254 -9.284 -10.844 1.00 0.00 C ATOM 0 H ALA A 34 -2.982 -10.993 -8.734 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.394 -8.513 -10.121 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.690 -8.300 -11.016 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.810 -9.651 -11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.032 -9.974 -10.516 1.00 0.00 H new ATOM 454 N VAL A 35 -3.456 -7.330 -8.230 1.00 0.00 N ATOM 455 CA VAL A 35 -3.950 -6.652 -7.038 1.00 0.00 C ATOM 456 C VAL A 35 -4.234 -5.181 -7.320 1.00 0.00 C ATOM 457 O VAL A 35 -3.318 -4.402 -7.586 1.00 0.00 O ATOM 458 CB VAL A 35 -2.945 -6.757 -5.875 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.196 -5.659 -4.852 1.00 0.00 C ATOM 460 CG2 VAL A 35 -3.023 -8.130 -5.227 1.00 0.00 C ATOM 0 H VAL A 35 -2.867 -6.752 -8.830 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.877 -7.149 -6.752 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.939 -6.626 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.477 -5.749 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.085 -4.685 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.207 -5.755 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.307 -8.187 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.029 -8.294 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.789 -8.895 -5.967 1.00 0.00 H new ATOM 470 N ARG A 36 -5.508 -4.807 -7.259 1.00 0.00 N ATOM 471 CA ARG A 36 -5.912 -3.429 -7.508 1.00 0.00 C ATOM 472 C ARG A 36 -5.813 -2.594 -6.235 1.00 0.00 C ATOM 473 O ARG A 36 -6.617 -2.747 -5.315 1.00 0.00 O ATOM 474 CB ARG A 36 -7.342 -3.385 -8.049 1.00 0.00 C ATOM 475 CG ARG A 36 -7.977 -2.005 -7.981 1.00 0.00 C ATOM 476 CD ARG A 36 -7.256 -1.015 -8.881 1.00 0.00 C ATOM 477 NE ARG A 36 -7.763 -1.049 -10.250 1.00 0.00 N ATOM 478 CZ ARG A 36 -8.856 -0.405 -10.645 1.00 0.00 C ATOM 479 NH1 ARG A 36 -9.551 0.320 -9.780 1.00 0.00 N ATOM 480 NH2 ARG A 36 -9.254 -0.485 -11.909 1.00 0.00 N ATOM 0 H ARG A 36 -6.278 -5.439 -7.039 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.236 -3.007 -8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.340 -3.724 -9.085 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.957 -4.087 -7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.024 -2.070 -8.276 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.957 -1.645 -6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.370 -0.009 -8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.189 -1.238 -8.884 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.250 -1.597 -10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.247 0.385 -8.808 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.390 0.813 -10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.721 -1.041 -12.577 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.093 0.010 -12.212 1.00 0.00 H new ATOM 494 N VAL A 37 -4.820 -1.711 -6.188 1.00 0.00 N ATOM 495 CA VAL A 37 -4.616 -0.852 -5.028 1.00 0.00 C ATOM 496 C VAL A 37 -5.288 0.502 -5.221 1.00 0.00 C ATOM 497 O VAL A 37 -4.843 1.318 -6.028 1.00 0.00 O ATOM 498 CB VAL A 37 -3.117 -0.633 -4.749 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.923 0.182 -3.479 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.393 -1.968 -4.650 1.00 0.00 C ATOM 0 H VAL A 37 -4.145 -1.572 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.067 -1.360 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.689 -0.073 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.858 0.326 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.407 1.152 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.365 -0.348 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.335 -1.794 -4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.822 -2.555 -3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.503 -2.512 -5.588 1.00 0.00 H new ATOM 510 N SER A 38 -6.364 0.735 -4.476 1.00 0.00 N ATOM 511 CA SER A 38 -7.101 1.990 -4.568 1.00 0.00 C ATOM 512 C SER A 38 -7.092 2.724 -3.231 1.00 0.00 C ATOM 513 O SER A 38 -7.264 2.116 -2.175 1.00 0.00 O ATOM 514 CB SER A 38 -8.542 1.728 -5.009 1.00 0.00 C ATOM 515 OG SER A 38 -9.303 1.162 -3.955 1.00 0.00 O ATOM 0 H SER A 38 -6.745 0.071 -3.802 1.00 0.00 H new ATOM 0 HA SER A 38 -6.610 2.618 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.002 2.662 -5.333 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.547 1.056 -5.867 1.00 0.00 H new ATOM 0 HG SER A 38 -10.221 1.006 -4.261 1.00 0.00 H new ATOM 521 N TRP A 39 -6.890 4.036 -3.285 1.00 0.00 N ATOM 522 CA TRP A 39 -6.858 4.855 -2.079 1.00 0.00 C ATOM 523 C TRP A 39 -7.696 6.116 -2.255 1.00 0.00 C ATOM 524 O TRP A 39 -8.353 6.298 -3.279 1.00 0.00 O ATOM 525 CB TRP A 39 -5.417 5.229 -1.729 1.00 0.00 C ATOM 526 CG TRP A 39 -4.697 5.925 -2.845 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.505 7.271 -2.982 1.00 0.00 C ATOM 528 CD2 TRP A 39 -4.076 5.311 -3.979 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.802 7.530 -4.134 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.526 6.344 -4.763 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.929 3.990 -4.408 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.843 6.094 -5.950 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.251 3.743 -5.587 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.714 4.791 -6.346 1.00 0.00 C ATOM 0 H TRP A 39 -6.746 4.555 -4.151 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.282 4.271 -1.262 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.420 5.873 -0.850 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.870 4.326 -1.460 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.854 8.021 -2.287 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.530 8.455 -4.467 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.338 3.176 -3.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.430 6.900 -6.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.133 2.725 -5.929 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.188 4.566 -7.262 1.00 0.00 H new ATOM 545 N ALA A 40 -7.667 6.986 -1.250 1.00 0.00 N ATOM 546 CA ALA A 40 -8.422 8.232 -1.296 1.00 0.00 C ATOM 547 C ALA A 40 -7.512 9.434 -1.067 1.00 0.00 C ATOM 548 O ALA A 40 -6.405 9.296 -0.546 1.00 0.00 O ATOM 549 CB ALA A 40 -9.540 8.210 -0.265 1.00 0.00 C ATOM 0 H ALA A 40 -7.129 6.850 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.861 8.326 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.095 9.147 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.213 7.379 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.114 8.089 0.731 1.00 0.00 H new ATOM 555 N ASP A 41 -7.985 10.612 -1.459 1.00 0.00 N ATOM 556 CA ASP A 41 -7.214 11.839 -1.296 1.00 0.00 C ATOM 557 C ASP A 41 -7.954 12.831 -0.404 1.00 0.00 C ATOM 558 O ASP A 41 -8.881 13.508 -0.848 1.00 0.00 O ATOM 559 CB ASP A 41 -6.929 12.472 -2.659 1.00 0.00 C ATOM 560 CG ASP A 41 -8.154 12.500 -3.551 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.227 12.049 -3.100 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.040 12.973 -4.702 1.00 0.00 O ATOM 0 H ASP A 41 -8.899 10.743 -1.892 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.268 11.584 -0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.565 13.489 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.134 11.916 -3.156 1.00 0.00 H new ATOM 567 N ASN A 42 -7.539 12.910 0.855 1.00 0.00 N ATOM 568 CA ASN A 42 -8.164 13.819 1.810 1.00 0.00 C ATOM 569 C ASN A 42 -7.507 15.195 1.761 1.00 0.00 C ATOM 570 O ASN A 42 -8.068 16.179 2.244 1.00 0.00 O ATOM 571 CB ASN A 42 -8.070 13.247 3.226 1.00 0.00 C ATOM 572 CG ASN A 42 -9.263 12.381 3.581 1.00 0.00 C ATOM 573 OD1 ASN A 42 -10.215 12.271 2.808 1.00 0.00 O ATOM 574 ND2 ASN A 42 -9.218 11.763 4.755 1.00 0.00 N ATOM 0 H ASN A 42 -6.773 12.356 1.239 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.214 13.927 1.538 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.157 12.658 3.317 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.994 14.066 3.941 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.993 11.168 5.048 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.408 11.883 5.364 1.00 0.00 H new ATOM 581 N SER A 43 -6.317 15.256 1.173 1.00 0.00 N ATOM 582 CA SER A 43 -5.582 16.511 1.064 1.00 0.00 C ATOM 583 C SER A 43 -5.924 17.229 -0.239 1.00 0.00 C ATOM 584 O SER A 43 -5.068 17.867 -0.853 1.00 0.00 O ATOM 585 CB SER A 43 -4.076 16.253 1.137 1.00 0.00 C ATOM 586 OG SER A 43 -3.679 15.275 0.191 1.00 0.00 O ATOM 0 H SER A 43 -5.841 14.452 0.765 1.00 0.00 H new ATOM 0 HA SER A 43 -5.875 17.149 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.536 17.182 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.809 15.922 2.141 1.00 0.00 H new ATOM 0 HG SER A 43 -2.712 15.130 0.257 1.00 0.00 H new ATOM 592 N VAL A 44 -7.181 17.118 -0.656 1.00 0.00 N ATOM 593 CA VAL A 44 -7.638 17.757 -1.884 1.00 0.00 C ATOM 594 C VAL A 44 -8.842 18.654 -1.622 1.00 0.00 C ATOM 595 O VAL A 44 -9.991 18.210 -1.624 1.00 0.00 O ATOM 596 CB VAL A 44 -8.012 16.713 -2.953 1.00 0.00 C ATOM 597 CG1 VAL A 44 -9.153 15.833 -2.464 1.00 0.00 C ATOM 598 CG2 VAL A 44 -8.379 17.398 -4.261 1.00 0.00 C ATOM 0 H VAL A 44 -7.901 16.591 -0.161 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.811 18.364 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.146 16.077 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.403 15.102 -3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.849 15.314 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.025 16.452 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.640 16.645 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.230 18.059 -4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.530 17.981 -4.617 1.00 0.00 H new ATOM 608 N PRO A 45 -8.577 19.948 -1.392 1.00 0.00 N ATOM 609 CA PRO A 45 -9.626 20.937 -1.125 1.00 0.00 C ATOM 610 C PRO A 45 -10.474 21.229 -2.358 1.00 0.00 C ATOM 611 O PRO A 45 -10.114 20.856 -3.475 1.00 0.00 O ATOM 612 CB PRO A 45 -8.842 22.183 -0.708 1.00 0.00 C ATOM 613 CG PRO A 45 -7.508 22.025 -1.353 1.00 0.00 C ATOM 614 CD PRO A 45 -7.231 20.547 -1.375 1.00 0.00 C ATOM 0 HA PRO A 45 -10.332 20.589 -0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -9.338 23.094 -1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.752 22.250 0.376 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.511 22.436 -2.362 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.739 22.558 -0.794 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.652 20.260 -2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.662 20.232 -0.501 1.00 0.00 H new ATOM 622 N LYS A 46 -11.602 21.899 -2.150 1.00 0.00 N ATOM 623 CA LYS A 46 -12.502 22.244 -3.244 1.00 0.00 C ATOM 624 C LYS A 46 -12.028 23.504 -3.961 1.00 0.00 C ATOM 625 O LYS A 46 -11.266 24.295 -3.408 1.00 0.00 O ATOM 626 CB LYS A 46 -13.924 22.448 -2.717 1.00 0.00 C ATOM 627 CG LYS A 46 -15.003 22.111 -3.733 1.00 0.00 C ATOM 628 CD LYS A 46 -15.290 20.620 -3.767 1.00 0.00 C ATOM 629 CE LYS A 46 -16.213 20.203 -2.633 1.00 0.00 C ATOM 630 NZ LYS A 46 -16.832 18.871 -2.882 1.00 0.00 N ATOM 0 H LYS A 46 -11.915 22.214 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.501 21.419 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.066 21.830 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -14.042 23.486 -2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.917 22.653 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.690 22.445 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.745 20.358 -4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.353 20.067 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.651 20.173 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.997 20.950 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.454 18.623 -2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.389 18.906 -3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.085 18.153 -2.975 1.00 0.00 H new ATOM 644 N ASN A 47 -12.486 23.684 -5.196 1.00 0.00 N ATOM 645 CA ASN A 47 -12.110 24.849 -5.988 1.00 0.00 C ATOM 646 C ASN A 47 -10.607 24.866 -6.250 1.00 0.00 C ATOM 647 O ASN A 47 -9.976 25.923 -6.231 1.00 0.00 O ATOM 648 CB ASN A 47 -12.529 26.135 -5.273 1.00 0.00 C ATOM 649 CG ASN A 47 -13.987 26.480 -5.510 1.00 0.00 C ATOM 650 OD1 ASN A 47 -14.505 26.307 -6.613 1.00 0.00 O ATOM 651 ND2 ASN A 47 -14.655 26.970 -4.473 1.00 0.00 N ATOM 0 H ASN A 47 -13.118 23.038 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.627 24.789 -6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.354 26.026 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.903 26.959 -5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -15.639 27.220 -4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -14.184 27.096 -3.577 1.00 0.00 H new ATOM 658 N GLN A 48 -10.041 23.689 -6.494 1.00 0.00 N ATOM 659 CA GLN A 48 -8.612 23.569 -6.760 1.00 0.00 C ATOM 660 C GLN A 48 -8.309 23.817 -8.234 1.00 0.00 C ATOM 661 O GLN A 48 -8.174 22.877 -9.017 1.00 0.00 O ATOM 662 CB GLN A 48 -8.110 22.183 -6.350 1.00 0.00 C ATOM 663 CG GLN A 48 -7.699 22.093 -4.889 1.00 0.00 C ATOM 664 CD GLN A 48 -6.294 22.609 -4.645 1.00 0.00 C ATOM 665 OE1 GLN A 48 -5.338 21.836 -4.584 1.00 0.00 O ATOM 666 NE2 GLN A 48 -6.162 23.923 -4.505 1.00 0.00 N ATOM 0 H GLN A 48 -10.549 22.805 -6.513 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.094 24.325 -6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.893 21.450 -6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.259 21.914 -6.976 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.402 22.663 -4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.763 21.056 -4.561 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.982 24.527 -4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.241 24.328 -4.340 1.00 0.00 H new ATOM 675 N LYS A 49 -8.205 25.088 -8.606 1.00 0.00 N ATOM 676 CA LYS A 49 -7.918 25.461 -9.986 1.00 0.00 C ATOM 677 C LYS A 49 -6.416 25.606 -10.208 1.00 0.00 C ATOM 678 O LYS A 49 -5.843 24.967 -11.092 1.00 0.00 O ATOM 679 CB LYS A 49 -8.626 26.770 -10.340 1.00 0.00 C ATOM 680 CG LYS A 49 -8.909 26.926 -11.824 1.00 0.00 C ATOM 681 CD LYS A 49 -9.972 25.948 -12.294 1.00 0.00 C ATOM 682 CE LYS A 49 -10.278 26.125 -13.774 1.00 0.00 C ATOM 683 NZ LYS A 49 -10.774 24.865 -14.393 1.00 0.00 N ATOM 0 H LYS A 49 -8.315 25.878 -7.970 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.289 24.668 -10.636 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.566 26.825 -9.792 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.013 27.607 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.236 27.946 -12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.991 26.766 -12.389 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.636 24.928 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.883 26.093 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.025 26.909 -13.899 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.379 26.455 -14.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.971 25.028 -15.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.052 24.123 -14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.646 24.563 -13.914 1.00 0.00 H new ATOM 697 N THR A 50 -5.781 26.449 -9.400 1.00 0.00 N ATOM 698 CA THR A 50 -4.346 26.678 -9.509 1.00 0.00 C ATOM 699 C THR A 50 -3.595 26.022 -8.356 1.00 0.00 C ATOM 700 O THR A 50 -3.713 26.446 -7.206 1.00 0.00 O ATOM 701 CB THR A 50 -4.017 28.183 -9.531 1.00 0.00 C ATOM 702 OG1 THR A 50 -4.784 28.837 -10.548 1.00 0.00 O ATOM 703 CG2 THR A 50 -2.533 28.409 -9.783 1.00 0.00 C ATOM 0 H THR A 50 -6.239 26.985 -8.662 1.00 0.00 H new ATOM 0 HA THR A 50 -4.025 26.230 -10.449 1.00 0.00 H new ATOM 0 HB THR A 50 -4.272 28.603 -8.558 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.571 29.793 -10.554 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.325 29.479 -9.794 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.953 27.935 -8.991 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.257 27.976 -10.744 1.00 0.00 H new ATOM 711 N SER A 51 -2.823 24.987 -8.670 1.00 0.00 N ATOM 712 CA SER A 51 -2.056 24.271 -7.659 1.00 0.00 C ATOM 713 C SER A 51 -0.712 23.813 -8.219 1.00 0.00 C ATOM 714 O SER A 51 -0.381 24.094 -9.370 1.00 0.00 O ATOM 715 CB SER A 51 -2.846 23.064 -7.148 1.00 0.00 C ATOM 716 OG SER A 51 -3.922 23.472 -6.321 1.00 0.00 O ATOM 0 H SER A 51 -2.712 24.626 -9.617 1.00 0.00 H new ATOM 0 HA SER A 51 -1.871 24.953 -6.829 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.229 22.492 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.184 22.402 -6.589 1.00 0.00 H new ATOM 0 HG SER A 51 -4.144 22.752 -5.694 1.00 0.00 H new ATOM 722 N GLU A 52 0.056 23.106 -7.395 1.00 0.00 N ATOM 723 CA GLU A 52 1.363 22.610 -7.808 1.00 0.00 C ATOM 724 C GLU A 52 1.295 21.129 -8.167 1.00 0.00 C ATOM 725 O GLU A 52 0.853 20.304 -7.366 1.00 0.00 O ATOM 726 CB GLU A 52 2.391 22.830 -6.696 1.00 0.00 C ATOM 727 CG GLU A 52 2.871 24.268 -6.587 1.00 0.00 C ATOM 728 CD GLU A 52 4.061 24.555 -7.481 1.00 0.00 C ATOM 729 OE1 GLU A 52 4.930 23.669 -7.617 1.00 0.00 O ATOM 730 OE2 GLU A 52 4.123 25.667 -8.046 1.00 0.00 O ATOM 0 H GLU A 52 -0.205 22.864 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 52 1.671 23.166 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.954 22.528 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.249 22.182 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.054 24.941 -6.849 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.139 24.480 -5.552 1.00 0.00 H new ATOM 737 N VAL A 53 1.734 20.798 -9.377 1.00 0.00 N ATOM 738 CA VAL A 53 1.724 19.417 -9.843 1.00 0.00 C ATOM 739 C VAL A 53 2.094 18.455 -8.720 1.00 0.00 C ATOM 740 O VAL A 53 2.719 18.847 -7.734 1.00 0.00 O ATOM 741 CB VAL A 53 2.697 19.214 -11.020 1.00 0.00 C ATOM 742 CG1 VAL A 53 4.128 19.104 -10.516 1.00 0.00 C ATOM 743 CG2 VAL A 53 2.310 17.982 -11.824 1.00 0.00 C ATOM 0 H VAL A 53 2.101 21.468 -10.053 1.00 0.00 H new ATOM 0 HA VAL A 53 0.709 19.204 -10.180 1.00 0.00 H new ATOM 0 HB VAL A 53 2.634 20.082 -11.676 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.801 18.961 -11.361 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.399 20.018 -9.987 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.211 18.254 -9.838 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.008 17.854 -12.651 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.344 17.103 -11.181 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.301 18.106 -12.216 1.00 0.00 H new ATOM 753 N ARG A 54 1.705 17.194 -8.875 1.00 0.00 N ATOM 754 CA ARG A 54 1.996 16.175 -7.874 1.00 0.00 C ATOM 755 C ARG A 54 1.911 14.777 -8.479 1.00 0.00 C ATOM 756 O ARG A 54 1.008 14.483 -9.264 1.00 0.00 O ATOM 757 CB ARG A 54 1.024 16.294 -6.698 1.00 0.00 C ATOM 758 CG ARG A 54 -0.373 16.734 -7.105 1.00 0.00 C ATOM 759 CD ARG A 54 -1.080 15.663 -7.919 1.00 0.00 C ATOM 760 NE ARG A 54 -2.531 15.731 -7.771 1.00 0.00 N ATOM 761 CZ ARG A 54 -3.272 16.730 -8.238 1.00 0.00 C ATOM 762 NH1 ARG A 54 -2.700 17.739 -8.881 1.00 0.00 N ATOM 763 NH2 ARG A 54 -4.587 16.721 -8.064 1.00 0.00 N ATOM 0 H ARG A 54 1.187 16.853 -9.685 1.00 0.00 H new ATOM 0 HA ARG A 54 3.013 16.334 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.959 15.331 -6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.425 17.007 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.958 16.960 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.311 17.653 -7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.817 15.775 -8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.730 14.680 -7.606 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.002 14.970 -7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.689 17.749 -9.018 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.271 18.505 -9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.031 15.946 -7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.154 17.489 -8.423 1.00 0.00 H new ATOM 777 N LEU A 55 2.856 13.920 -8.110 1.00 0.00 N ATOM 778 CA LEU A 55 2.888 12.552 -8.616 1.00 0.00 C ATOM 779 C LEU A 55 2.661 11.549 -7.490 1.00 0.00 C ATOM 780 O LEU A 55 3.067 11.777 -6.350 1.00 0.00 O ATOM 781 CB LEU A 55 4.228 12.273 -9.301 1.00 0.00 C ATOM 782 CG LEU A 55 4.580 10.800 -9.511 1.00 0.00 C ATOM 783 CD1 LEU A 55 4.086 10.321 -10.868 1.00 0.00 C ATOM 784 CD2 LEU A 55 6.081 10.587 -9.382 1.00 0.00 C ATOM 0 H LEU A 55 3.610 14.148 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 55 2.084 12.441 -9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.227 12.768 -10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.019 12.734 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 55 4.082 10.214 -8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.346 9.271 -11.000 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.004 10.437 -10.923 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.554 10.912 -11.655 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.313 9.533 -9.534 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.599 11.185 -10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.407 10.890 -8.387 1.00 0.00 H new ATOM 796 N TYR A 56 2.013 10.437 -7.818 1.00 0.00 N ATOM 797 CA TYR A 56 1.731 9.398 -6.834 1.00 0.00 C ATOM 798 C TYR A 56 2.581 8.157 -7.094 1.00 0.00 C ATOM 799 O TYR A 56 2.602 7.625 -8.204 1.00 0.00 O ATOM 800 CB TYR A 56 0.247 9.028 -6.862 1.00 0.00 C ATOM 801 CG TYR A 56 -0.634 10.005 -6.116 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.575 11.367 -6.383 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.524 9.566 -5.144 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.378 12.264 -5.704 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.331 10.455 -4.461 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.255 11.802 -4.744 1.00 0.00 C ATOM 807 OH TYR A 56 -3.056 12.691 -4.065 1.00 0.00 O ATOM 0 H TYR A 56 1.673 10.232 -8.757 1.00 0.00 H new ATOM 0 HA TYR A 56 1.982 9.789 -5.848 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.085 8.970 -7.899 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.120 8.035 -6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.110 11.731 -7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.586 8.512 -4.918 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.319 13.320 -5.923 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.018 10.096 -3.709 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.616 12.204 -3.425 1.00 0.00 H new ATOM 817 N THR A 57 3.281 7.701 -6.060 1.00 0.00 N ATOM 818 CA THR A 57 4.133 6.524 -6.174 1.00 0.00 C ATOM 819 C THR A 57 3.533 5.336 -5.429 1.00 0.00 C ATOM 820 O THR A 57 2.823 5.507 -4.438 1.00 0.00 O ATOM 821 CB THR A 57 5.546 6.798 -5.626 1.00 0.00 C ATOM 822 OG1 THR A 57 6.008 8.075 -6.079 1.00 0.00 O ATOM 823 CG2 THR A 57 6.518 5.715 -6.070 1.00 0.00 C ATOM 0 H THR A 57 3.275 8.129 -5.134 1.00 0.00 H new ATOM 0 HA THR A 57 4.203 6.286 -7.235 1.00 0.00 H new ATOM 0 HB THR A 57 5.496 6.795 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.906 8.242 -5.725 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.509 5.930 -5.671 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.179 4.748 -5.699 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.563 5.690 -7.159 1.00 0.00 H new ATOM 831 N VAL A 58 3.823 4.133 -5.913 1.00 0.00 N ATOM 832 CA VAL A 58 3.313 2.916 -5.291 1.00 0.00 C ATOM 833 C VAL A 58 4.373 1.821 -5.277 1.00 0.00 C ATOM 834 O VAL A 58 4.929 1.467 -6.317 1.00 0.00 O ATOM 835 CB VAL A 58 2.062 2.395 -6.022 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.390 1.296 -5.213 1.00 0.00 C ATOM 837 CG2 VAL A 58 1.092 3.534 -6.298 1.00 0.00 C ATOM 0 H VAL A 58 4.408 3.974 -6.733 1.00 0.00 H new ATOM 0 HA VAL A 58 3.046 3.172 -4.266 1.00 0.00 H new ATOM 0 HB VAL A 58 2.371 1.973 -6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.508 0.940 -5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.087 0.470 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.093 1.690 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.214 3.147 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.787 3.989 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.579 4.284 -6.922 1.00 0.00 H new ATOM 847 N ARG A 59 4.649 1.287 -4.092 1.00 0.00 N ATOM 848 CA ARG A 59 5.643 0.231 -3.941 1.00 0.00 C ATOM 849 C ARG A 59 5.064 -0.957 -3.180 1.00 0.00 C ATOM 850 O ARG A 59 4.116 -0.810 -2.408 1.00 0.00 O ATOM 851 CB ARG A 59 6.878 0.765 -3.212 1.00 0.00 C ATOM 852 CG ARG A 59 6.677 0.927 -1.714 1.00 0.00 C ATOM 853 CD ARG A 59 8.006 1.023 -0.981 1.00 0.00 C ATOM 854 NE ARG A 59 8.608 2.348 -1.111 1.00 0.00 N ATOM 855 CZ ARG A 59 9.428 2.688 -2.099 1.00 0.00 C ATOM 856 NH1 ARG A 59 9.743 1.807 -3.038 1.00 0.00 N ATOM 857 NH2 ARG A 59 9.936 3.913 -2.149 1.00 0.00 N ATOM 0 H ARG A 59 4.198 1.569 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 59 5.933 -0.105 -4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.714 0.088 -3.387 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.154 1.729 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.087 1.823 -1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.108 0.081 -1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.855 0.795 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.692 0.273 -1.374 1.00 0.00 H new ATOM 0 HE ARG A 59 8.387 3.050 -0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.355 0.864 -3.003 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.373 2.072 -3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.697 4.594 -1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.566 4.173 -2.908 1.00 0.00 H new ATOM 871 N TRP A 60 5.639 -2.133 -3.405 1.00 0.00 N ATOM 872 CA TRP A 60 5.178 -3.348 -2.741 1.00 0.00 C ATOM 873 C TRP A 60 6.256 -4.426 -2.770 1.00 0.00 C ATOM 874 O TRP A 60 6.842 -4.702 -3.817 1.00 0.00 O ATOM 875 CB TRP A 60 3.903 -3.866 -3.407 1.00 0.00 C ATOM 876 CG TRP A 60 4.072 -4.159 -4.867 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.399 -5.360 -5.429 1.00 0.00 C ATOM 878 CD2 TRP A 60 3.925 -3.234 -5.949 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.464 -5.237 -6.796 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.176 -3.943 -7.141 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.603 -1.876 -6.029 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.117 -3.338 -8.393 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.544 -1.277 -7.273 1.00 0.00 C ATOM 884 CH2 TRP A 60 3.799 -2.007 -8.441 1.00 0.00 C ATOM 0 H TRP A 60 6.424 -2.271 -4.041 1.00 0.00 H new ATOM 0 HA TRP A 60 4.962 -3.104 -1.701 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.578 -4.773 -2.897 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.111 -3.128 -3.281 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.580 -6.272 -4.880 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.690 -5.988 -7.448 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.404 -1.305 -5.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.315 -3.898 -9.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.297 -0.228 -7.346 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.744 -1.510 -9.398 1.00 0.00 H new ATOM 895 N ARG A 61 6.512 -5.032 -1.616 1.00 0.00 N ATOM 896 CA ARG A 61 7.520 -6.080 -1.510 1.00 0.00 C ATOM 897 C ARG A 61 6.995 -7.261 -0.699 1.00 0.00 C ATOM 898 O ARG A 61 6.227 -7.086 0.248 1.00 0.00 O ATOM 899 CB ARG A 61 8.793 -5.530 -0.863 1.00 0.00 C ATOM 900 CG ARG A 61 9.723 -6.609 -0.333 1.00 0.00 C ATOM 901 CD ARG A 61 9.657 -6.706 1.183 1.00 0.00 C ATOM 902 NE ARG A 61 8.322 -6.405 1.694 1.00 0.00 N ATOM 903 CZ ARG A 61 7.987 -6.502 2.975 1.00 0.00 C ATOM 904 NH1 ARG A 61 8.883 -6.890 3.871 1.00 0.00 N ATOM 905 NH2 ARG A 61 6.752 -6.210 3.362 1.00 0.00 N ATOM 0 H ARG A 61 6.035 -4.815 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 61 7.752 -6.427 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.330 -4.926 -1.594 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.516 -4.866 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.455 -7.570 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.746 -6.392 -0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.947 -7.710 1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.377 -6.016 1.622 1.00 0.00 H new ATOM 0 HE ARG A 61 7.608 -6.104 1.030 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.833 -7.115 3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.622 -6.963 4.854 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.060 -5.911 2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.495 -6.285 4.346 1.00 0.00 H new ATOM 919 N THR A 62 7.412 -8.465 -1.078 1.00 0.00 N ATOM 920 CA THR A 62 6.983 -9.675 -0.388 1.00 0.00 C ATOM 921 C THR A 62 6.891 -9.447 1.116 1.00 0.00 C ATOM 922 O THR A 62 7.740 -8.778 1.705 1.00 0.00 O ATOM 923 CB THR A 62 7.943 -10.848 -0.661 1.00 0.00 C ATOM 924 OG1 THR A 62 9.280 -10.360 -0.816 1.00 0.00 O ATOM 925 CG2 THR A 62 7.527 -11.609 -1.910 1.00 0.00 C ATOM 0 H THR A 62 8.047 -8.628 -1.860 1.00 0.00 H new ATOM 0 HA THR A 62 5.996 -9.926 -0.775 1.00 0.00 H new ATOM 0 HB THR A 62 7.901 -11.528 0.189 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.448 -9.653 -0.159 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.220 -12.433 -2.082 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.520 -12.004 -1.777 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.542 -10.937 -2.768 1.00 0.00 H new ATOM 933 N SER A 63 5.855 -10.008 1.733 1.00 0.00 N ATOM 934 CA SER A 63 5.651 -9.862 3.169 1.00 0.00 C ATOM 935 C SER A 63 6.507 -10.861 3.943 1.00 0.00 C ATOM 936 O SER A 63 6.528 -12.051 3.630 1.00 0.00 O ATOM 937 CB SER A 63 4.175 -10.060 3.519 1.00 0.00 C ATOM 938 OG SER A 63 3.748 -11.374 3.203 1.00 0.00 O ATOM 0 H SER A 63 5.145 -10.567 1.261 1.00 0.00 H new ATOM 0 HA SER A 63 5.952 -8.854 3.453 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.021 -9.870 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.569 -9.336 2.974 1.00 0.00 H new ATOM 0 HG SER A 63 3.112 -11.341 2.458 1.00 0.00 H new ATOM 944 N PHE A 64 7.211 -10.367 4.956 1.00 0.00 N ATOM 945 CA PHE A 64 8.070 -11.214 5.775 1.00 0.00 C ATOM 946 C PHE A 64 8.968 -12.084 4.902 1.00 0.00 C ATOM 947 O PHE A 64 9.032 -13.301 5.077 1.00 0.00 O ATOM 948 CB PHE A 64 7.224 -12.096 6.695 1.00 0.00 C ATOM 949 CG PHE A 64 6.195 -11.332 7.479 1.00 0.00 C ATOM 950 CD1 PHE A 64 6.538 -10.695 8.661 1.00 0.00 C ATOM 951 CD2 PHE A 64 4.885 -11.251 7.034 1.00 0.00 C ATOM 952 CE1 PHE A 64 5.593 -9.992 9.384 1.00 0.00 C ATOM 953 CE2 PHE A 64 3.936 -10.549 7.753 1.00 0.00 C ATOM 954 CZ PHE A 64 4.291 -9.918 8.929 1.00 0.00 C ATOM 0 H PHE A 64 7.204 -9.384 5.229 1.00 0.00 H new ATOM 0 HA PHE A 64 8.702 -10.567 6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.722 -12.856 6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.882 -12.620 7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.555 -10.749 9.021 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.602 -11.742 6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.872 -9.501 10.304 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.918 -10.494 7.396 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.552 -9.368 9.492 1.00 0.00 H new ATOM 964 N SER A 65 9.660 -11.452 3.959 1.00 0.00 N ATOM 965 CA SER A 65 10.551 -12.168 3.054 1.00 0.00 C ATOM 966 C SER A 65 11.986 -11.669 3.197 1.00 0.00 C ATOM 967 O SER A 65 12.243 -10.466 3.160 1.00 0.00 O ATOM 968 CB SER A 65 10.083 -12.003 1.607 1.00 0.00 C ATOM 969 OG SER A 65 9.185 -13.036 1.241 1.00 0.00 O ATOM 0 H SER A 65 9.620 -10.445 3.802 1.00 0.00 H new ATOM 0 HA SER A 65 10.524 -13.225 3.318 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.597 -11.035 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.945 -12.012 0.939 1.00 0.00 H new ATOM 0 HG SER A 65 9.265 -13.214 0.281 1.00 0.00 H new ATOM 975 N ALA A 66 12.917 -12.603 3.361 1.00 0.00 N ATOM 976 CA ALA A 66 14.326 -12.260 3.508 1.00 0.00 C ATOM 977 C ALA A 66 14.796 -11.372 2.361 1.00 0.00 C ATOM 978 O ALA A 66 14.981 -10.167 2.531 1.00 0.00 O ATOM 979 CB ALA A 66 15.172 -13.523 3.582 1.00 0.00 C ATOM 0 H ALA A 66 12.721 -13.603 3.395 1.00 0.00 H new ATOM 0 HA ALA A 66 14.444 -11.702 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 66 16.222 -13.252 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.860 -14.120 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.041 -14.103 2.668 1.00 0.00 H new ATOM 985 N SER A 67 14.989 -11.976 1.192 1.00 0.00 N ATOM 986 CA SER A 67 15.443 -11.240 0.018 1.00 0.00 C ATOM 987 C SER A 67 14.268 -10.882 -0.887 1.00 0.00 C ATOM 988 O SER A 67 13.423 -11.725 -1.187 1.00 0.00 O ATOM 989 CB SER A 67 16.469 -12.065 -0.762 1.00 0.00 C ATOM 990 OG SER A 67 17.775 -11.875 -0.245 1.00 0.00 O ATOM 0 H SER A 67 14.838 -12.972 1.033 1.00 0.00 H new ATOM 0 HA SER A 67 15.912 -10.317 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.205 -13.121 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.446 -11.780 -1.814 1.00 0.00 H new ATOM 0 HG SER A 67 18.412 -12.414 -0.759 1.00 0.00 H new ATOM 996 N ALA A 68 14.222 -9.626 -1.318 1.00 0.00 N ATOM 997 CA ALA A 68 13.153 -9.156 -2.190 1.00 0.00 C ATOM 998 C ALA A 68 13.447 -7.754 -2.713 1.00 0.00 C ATOM 999 O ALA A 68 14.112 -6.959 -2.049 1.00 0.00 O ATOM 1000 CB ALA A 68 11.823 -9.177 -1.452 1.00 0.00 C ATOM 0 H ALA A 68 14.913 -8.915 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 68 13.093 -9.829 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.033 -8.824 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.600 -10.195 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.881 -8.527 -0.579 1.00 0.00 H new ATOM 1006 N LYS A 69 12.949 -7.457 -3.908 1.00 0.00 N ATOM 1007 CA LYS A 69 13.157 -6.150 -4.521 1.00 0.00 C ATOM 1008 C LYS A 69 11.896 -5.297 -4.427 1.00 0.00 C ATOM 1009 O LYS A 69 10.851 -5.655 -4.969 1.00 0.00 O ATOM 1010 CB LYS A 69 13.568 -6.312 -5.987 1.00 0.00 C ATOM 1011 CG LYS A 69 15.042 -6.624 -6.175 1.00 0.00 C ATOM 1012 CD LYS A 69 15.903 -5.387 -5.981 1.00 0.00 C ATOM 1013 CE LYS A 69 17.305 -5.591 -6.535 1.00 0.00 C ATOM 1014 NZ LYS A 69 17.313 -5.632 -8.023 1.00 0.00 N ATOM 0 H LYS A 69 12.398 -8.104 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 69 13.956 -5.645 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.976 -7.110 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.328 -5.396 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.345 -7.394 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.205 -7.029 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.435 -4.536 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.962 -5.146 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.952 -4.785 -6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.718 -6.521 -6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.282 -5.483 -8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.969 -6.558 -8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.694 -4.883 -8.394 1.00 0.00 H new ATOM 1028 N TYR A 70 12.003 -4.168 -3.736 1.00 0.00 N ATOM 1029 CA TYR A 70 10.870 -3.264 -3.570 1.00 0.00 C ATOM 1030 C TYR A 70 10.518 -2.584 -4.889 1.00 0.00 C ATOM 1031 O TYR A 70 11.252 -1.723 -5.374 1.00 0.00 O ATOM 1032 CB TYR A 70 11.184 -2.209 -2.507 1.00 0.00 C ATOM 1033 CG TYR A 70 10.731 -2.596 -1.117 1.00 0.00 C ATOM 1034 CD1 TYR A 70 9.455 -2.279 -0.668 1.00 0.00 C ATOM 1035 CD2 TYR A 70 11.580 -3.278 -0.253 1.00 0.00 C ATOM 1036 CE1 TYR A 70 9.037 -2.630 0.601 1.00 0.00 C ATOM 1037 CE2 TYR A 70 11.170 -3.634 1.017 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.898 -3.307 1.440 1.00 0.00 C ATOM 1039 OH TYR A 70 9.486 -3.659 2.705 1.00 0.00 O ATOM 0 H TYR A 70 12.862 -3.857 -3.282 1.00 0.00 H new ATOM 0 HA TYR A 70 10.012 -3.853 -3.246 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.259 -2.029 -2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.707 -1.270 -2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.778 -1.749 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.577 -3.534 -0.580 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.042 -2.376 0.935 1.00 0.00 H new ATOM 0 HE2 TYR A 70 11.841 -4.165 1.675 1.00 0.00 H new ATOM 0 HH TYR A 70 10.211 -4.131 3.166 1.00 0.00 H new ATOM 1049 N LYS A 71 9.387 -2.977 -5.466 1.00 0.00 N ATOM 1050 CA LYS A 71 8.933 -2.406 -6.728 1.00 0.00 C ATOM 1051 C LYS A 71 8.422 -0.983 -6.529 1.00 0.00 C ATOM 1052 O LYS A 71 8.032 -0.602 -5.425 1.00 0.00 O ATOM 1053 CB LYS A 71 7.830 -3.275 -7.337 1.00 0.00 C ATOM 1054 CG LYS A 71 7.715 -3.143 -8.846 1.00 0.00 C ATOM 1055 CD LYS A 71 6.854 -4.246 -9.438 1.00 0.00 C ATOM 1056 CE LYS A 71 7.685 -5.463 -9.812 1.00 0.00 C ATOM 1057 NZ LYS A 71 8.634 -5.167 -10.921 1.00 0.00 N ATOM 0 H LYS A 71 8.768 -3.689 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 71 9.782 -2.376 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.021 -4.318 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.876 -3.007 -6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.287 -2.172 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.709 -3.177 -9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.087 -4.535 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.338 -3.871 -10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.241 -5.805 -8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.024 -6.277 -10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.890 -6.052 -11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.184 -4.519 -11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.492 -4.723 -10.535 1.00 0.00 H new ATOM 1071 N SER A 72 8.425 -0.201 -7.604 1.00 0.00 N ATOM 1072 CA SER A 72 7.964 1.181 -7.547 1.00 0.00 C ATOM 1073 C SER A 72 7.507 1.659 -8.922 1.00 0.00 C ATOM 1074 O SER A 72 8.246 1.561 -9.901 1.00 0.00 O ATOM 1075 CB SER A 72 9.076 2.090 -7.021 1.00 0.00 C ATOM 1076 OG SER A 72 10.235 1.998 -7.830 1.00 0.00 O ATOM 0 H SER A 72 8.742 -0.502 -8.526 1.00 0.00 H new ATOM 0 HA SER A 72 7.114 1.227 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.726 3.122 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.322 1.814 -5.996 1.00 0.00 H new ATOM 0 HG SER A 72 9.982 1.716 -8.734 1.00 0.00 H new ATOM 1082 N GLU A 73 6.284 2.176 -8.985 1.00 0.00 N ATOM 1083 CA GLU A 73 5.728 2.668 -10.240 1.00 0.00 C ATOM 1084 C GLU A 73 5.170 4.078 -10.072 1.00 0.00 C ATOM 1085 O GLU A 73 4.836 4.497 -8.963 1.00 0.00 O ATOM 1086 CB GLU A 73 4.629 1.729 -10.740 1.00 0.00 C ATOM 1087 CG GLU A 73 5.159 0.482 -11.428 1.00 0.00 C ATOM 1088 CD GLU A 73 6.380 0.762 -12.282 1.00 0.00 C ATOM 1089 OE1 GLU A 73 6.298 1.644 -13.163 1.00 0.00 O ATOM 1090 OE2 GLU A 73 7.417 0.099 -12.071 1.00 0.00 O ATOM 0 H GLU A 73 5.660 2.265 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 73 6.531 2.699 -10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.006 1.431 -9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.987 2.272 -11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.410 -0.265 -10.675 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.374 0.054 -12.052 1.00 0.00 H new ATOM 1097 N ASP A 74 5.072 4.806 -11.179 1.00 0.00 N ATOM 1098 CA ASP A 74 4.554 6.169 -11.155 1.00 0.00 C ATOM 1099 C ASP A 74 3.187 6.242 -11.827 1.00 0.00 C ATOM 1100 O ASP A 74 2.998 5.737 -12.934 1.00 0.00 O ATOM 1101 CB ASP A 74 5.530 7.120 -11.850 1.00 0.00 C ATOM 1102 CG ASP A 74 5.365 7.119 -13.357 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.733 6.109 -13.994 1.00 0.00 O ATOM 1104 OD2 ASP A 74 4.866 8.127 -13.900 1.00 0.00 O ATOM 0 H ASP A 74 5.345 4.475 -12.104 1.00 0.00 H new ATOM 0 HA ASP A 74 4.443 6.472 -10.114 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.379 8.131 -11.472 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.552 6.835 -11.599 1.00 0.00 H new ATOM 1109 N THR A 75 2.233 6.874 -11.149 1.00 0.00 N ATOM 1110 CA THR A 75 0.882 7.012 -11.679 1.00 0.00 C ATOM 1111 C THR A 75 0.220 8.287 -11.170 1.00 0.00 C ATOM 1112 O THR A 75 0.435 8.699 -10.030 1.00 0.00 O ATOM 1113 CB THR A 75 0.005 5.804 -11.300 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.221 5.837 -12.040 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.298 5.801 -9.809 1.00 0.00 C ATOM 0 H THR A 75 2.372 7.298 -10.232 1.00 0.00 H new ATOM 0 HA THR A 75 0.971 7.061 -12.764 1.00 0.00 H new ATOM 0 HB THR A 75 0.553 4.895 -11.545 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.772 5.065 -11.795 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.919 4.939 -9.566 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.635 5.746 -9.248 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.828 6.716 -9.544 1.00 0.00 H new ATOM 1123 N THR A 76 -0.590 8.908 -12.022 1.00 0.00 N ATOM 1124 CA THR A 76 -1.284 10.137 -11.659 1.00 0.00 C ATOM 1125 C THR A 76 -2.710 9.849 -11.204 1.00 0.00 C ATOM 1126 O THR A 76 -3.485 10.768 -10.939 1.00 0.00 O ATOM 1127 CB THR A 76 -1.324 11.129 -12.837 1.00 0.00 C ATOM 1128 OG1 THR A 76 -2.305 10.715 -13.794 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.038 11.226 -13.509 1.00 0.00 C ATOM 0 H THR A 76 -0.781 8.580 -12.969 1.00 0.00 H new ATOM 0 HA THR A 76 -0.726 10.584 -10.836 1.00 0.00 H new ATOM 0 HB THR A 76 -1.590 12.111 -12.447 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.325 11.352 -14.538 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.015 11.932 -14.338 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.777 11.570 -12.785 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.328 10.245 -13.886 1.00 0.00 H new ATOM 1137 N SER A 77 -3.050 8.567 -11.114 1.00 0.00 N ATOM 1138 CA SER A 77 -4.385 8.158 -10.694 1.00 0.00 C ATOM 1139 C SER A 77 -4.380 7.703 -9.237 1.00 0.00 C ATOM 1140 O SER A 77 -3.324 7.594 -8.612 1.00 0.00 O ATOM 1141 CB SER A 77 -4.902 7.031 -11.590 1.00 0.00 C ATOM 1142 OG SER A 77 -5.206 7.511 -12.888 1.00 0.00 O ATOM 0 H SER A 77 -2.419 7.794 -11.326 1.00 0.00 H new ATOM 0 HA SER A 77 -5.048 9.018 -10.786 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.153 6.242 -11.657 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.793 6.588 -11.145 1.00 0.00 H new ATOM 0 HG SER A 77 -5.533 6.772 -13.442 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.567 7.439 -8.703 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.702 6.995 -7.320 1.00 0.00 C ATOM 1150 C LEU A 78 -5.907 5.485 -7.250 1.00 0.00 C ATOM 1151 O LEU A 78 -6.388 4.960 -6.245 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.872 7.713 -6.645 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.756 9.234 -6.540 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.071 9.838 -6.071 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.624 9.619 -5.599 1.00 0.00 C ATOM 0 H LEU A 78 -6.450 7.525 -9.206 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.780 7.242 -6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.783 7.475 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.990 7.307 -5.640 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.530 9.631 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.970 10.921 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.859 9.592 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.328 9.435 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.556 10.705 -5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.820 9.210 -4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.684 9.218 -5.978 1.00 0.00 H new ATOM 1167 N SER A 79 -5.538 4.793 -8.322 1.00 0.00 N ATOM 1168 CA SER A 79 -5.684 3.343 -8.383 1.00 0.00 C ATOM 1169 C SER A 79 -4.630 2.729 -9.300 1.00 0.00 C ATOM 1170 O SER A 79 -4.461 3.156 -10.443 1.00 0.00 O ATOM 1171 CB SER A 79 -7.084 2.970 -8.874 1.00 0.00 C ATOM 1172 OG SER A 79 -7.368 3.584 -10.119 1.00 0.00 O ATOM 0 H SER A 79 -5.136 5.212 -9.160 1.00 0.00 H new ATOM 0 HA SER A 79 -5.542 2.946 -7.378 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.162 1.887 -8.973 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.825 3.277 -8.136 1.00 0.00 H new ATOM 0 HG SER A 79 -6.546 3.644 -10.649 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.924 1.726 -8.791 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.885 1.054 -9.562 1.00 0.00 C ATOM 1180 C TYR A 80 -3.073 -0.460 -9.527 1.00 0.00 C ATOM 1181 O TYR A 80 -3.407 -1.032 -8.489 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.502 1.420 -9.021 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.372 0.674 -9.694 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.020 -0.582 -9.249 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.304 1.226 -10.776 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.053 -1.267 -9.860 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.337 0.548 -11.394 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.708 -0.698 -10.932 1.00 0.00 C ATOM 1189 OH TYR A 80 2.736 -1.377 -11.544 1.00 0.00 O ATOM 0 H TYR A 80 -4.052 1.360 -7.848 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.963 1.388 -10.597 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.344 2.491 -9.146 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.474 1.216 -7.951 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.492 -1.031 -8.411 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.017 2.202 -11.140 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.346 -2.242 -9.500 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.851 0.991 -12.234 1.00 0.00 H new ATOM 0 HH TYR A 80 2.588 -1.390 -12.513 1.00 0.00 H new ATOM 1199 N THR A 81 -2.854 -1.103 -10.669 1.00 0.00 N ATOM 1200 CA THR A 81 -2.999 -2.550 -10.771 1.00 0.00 C ATOM 1201 C THR A 81 -1.642 -3.242 -10.739 1.00 0.00 C ATOM 1202 O THR A 81 -0.837 -3.095 -11.658 1.00 0.00 O ATOM 1203 CB THR A 81 -3.737 -2.951 -12.063 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.826 -2.054 -12.304 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.258 -4.377 -11.968 1.00 0.00 C ATOM 0 H THR A 81 -2.575 -0.645 -11.537 1.00 0.00 H new ATOM 0 HA THR A 81 -3.587 -2.870 -9.911 1.00 0.00 H new ATOM 0 HB THR A 81 -3.031 -2.894 -12.891 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.289 -2.315 -13.128 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.775 -4.638 -12.891 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.423 -5.060 -11.815 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.950 -4.456 -11.130 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.394 -3.999 -9.675 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.134 -4.716 -9.524 1.00 0.00 C ATOM 1215 C ALA A 82 -0.185 -6.069 -10.227 1.00 0.00 C ATOM 1216 O ALA A 82 -0.767 -7.026 -9.714 1.00 0.00 O ATOM 1217 CB ALA A 82 0.198 -4.897 -8.050 1.00 0.00 C ATOM 0 H ALA A 82 -2.049 -4.131 -8.905 1.00 0.00 H new ATOM 0 HA ALA A 82 0.652 -4.122 -9.991 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.142 -5.434 -7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.286 -3.920 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.595 -5.467 -7.566 1.00 0.00 H new ATOM 1223 N THR A 83 0.426 -6.143 -11.405 1.00 0.00 N ATOM 1224 CA THR A 83 0.449 -7.377 -12.179 1.00 0.00 C ATOM 1225 C THR A 83 1.793 -8.083 -12.049 1.00 0.00 C ATOM 1226 O THR A 83 2.800 -7.464 -11.709 1.00 0.00 O ATOM 1227 CB THR A 83 0.162 -7.112 -13.669 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.274 -6.437 -14.268 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.097 -6.275 -13.837 1.00 0.00 C ATOM 0 H THR A 83 0.912 -5.361 -11.844 1.00 0.00 H new ATOM 0 HA THR A 83 -0.335 -8.018 -11.775 1.00 0.00 H new ATOM 0 HB THR A 83 0.009 -8.071 -14.164 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.085 -6.273 -15.216 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.279 -6.101 -14.897 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.946 -6.804 -13.405 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.969 -5.319 -13.329 1.00 0.00 H new ATOM 1237 N GLY A 84 1.803 -9.384 -12.324 1.00 0.00 N ATOM 1238 CA GLY A 84 3.030 -10.153 -12.233 1.00 0.00 C ATOM 1239 C GLY A 84 3.471 -10.374 -10.799 1.00 0.00 C ATOM 1240 O GLY A 84 4.596 -10.034 -10.428 1.00 0.00 O ATOM 0 H GLY A 84 0.982 -9.919 -12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.887 -11.118 -12.719 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.820 -9.636 -12.777 1.00 0.00 H new ATOM 1244 N LEU A 85 2.584 -10.942 -9.990 1.00 0.00 N ATOM 1245 CA LEU A 85 2.886 -11.207 -8.588 1.00 0.00 C ATOM 1246 C LEU A 85 2.907 -12.706 -8.309 1.00 0.00 C ATOM 1247 O LEU A 85 2.743 -13.520 -9.218 1.00 0.00 O ATOM 1248 CB LEU A 85 1.858 -10.523 -7.686 1.00 0.00 C ATOM 1249 CG LEU A 85 1.336 -9.169 -8.169 1.00 0.00 C ATOM 1250 CD1 LEU A 85 -0.056 -8.905 -7.617 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.292 -8.055 -7.768 1.00 0.00 C ATOM 0 H LEU A 85 1.649 -11.228 -10.281 1.00 0.00 H new ATOM 0 HA LEU A 85 3.875 -10.803 -8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.008 -11.195 -7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.302 -10.388 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 85 1.274 -9.193 -9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.410 -7.937 -7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.736 -9.687 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.021 -8.902 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.905 -7.099 -8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.387 -8.031 -6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.270 -8.237 -8.214 1.00 0.00 H new ATOM 1263 N LYS A 86 3.108 -13.064 -7.045 1.00 0.00 N ATOM 1264 CA LYS A 86 3.146 -14.466 -6.644 1.00 0.00 C ATOM 1265 C LYS A 86 1.809 -14.899 -6.051 1.00 0.00 C ATOM 1266 O LYS A 86 1.194 -14.186 -5.258 1.00 0.00 O ATOM 1267 CB LYS A 86 4.266 -14.695 -5.626 1.00 0.00 C ATOM 1268 CG LYS A 86 4.502 -16.160 -5.302 1.00 0.00 C ATOM 1269 CD LYS A 86 5.388 -16.325 -4.079 1.00 0.00 C ATOM 1270 CE LYS A 86 6.842 -16.011 -4.397 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.778 -16.783 -3.534 1.00 0.00 N ATOM 0 H LYS A 86 3.247 -12.403 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 86 3.341 -15.067 -7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.190 -14.263 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.024 -14.162 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.546 -16.654 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.965 -16.653 -6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.038 -15.667 -3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.308 -17.346 -3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.042 -16.239 -5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.021 -14.944 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.759 -16.541 -3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.605 -16.547 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.625 -17.801 -3.680 1.00 0.00 H new ATOM 1285 N PRO A 87 1.348 -16.096 -6.442 1.00 0.00 N ATOM 1286 CA PRO A 87 0.080 -16.652 -5.959 1.00 0.00 C ATOM 1287 C PRO A 87 0.143 -17.047 -4.488 1.00 0.00 C ATOM 1288 O PRO A 87 1.218 -17.316 -3.954 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.122 -17.889 -6.837 1.00 0.00 C ATOM 1290 CG PRO A 87 1.252 -18.281 -7.261 1.00 0.00 C ATOM 1291 CD PRO A 87 2.029 -17.000 -7.385 1.00 0.00 C ATOM 0 HA PRO A 87 -0.733 -15.929 -6.024 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.610 -18.692 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.753 -17.665 -7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.711 -18.946 -6.530 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.229 -18.817 -8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.078 -17.139 -7.122 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.004 -16.612 -8.403 1.00 0.00 H new ATOM 1299 N ASN A 88 -1.016 -17.081 -3.839 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.092 -17.444 -2.428 1.00 0.00 C ATOM 1301 C ASN A 88 -0.008 -16.731 -1.624 1.00 0.00 C ATOM 1302 O ASN A 88 0.596 -17.313 -0.723 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.954 -18.958 -2.262 1.00 0.00 C ATOM 1304 CG ASN A 88 -1.705 -19.478 -1.051 1.00 0.00 C ATOM 1305 OD1 ASN A 88 -1.117 -19.713 0.005 1.00 0.00 O ATOM 1306 ND2 ASN A 88 -3.012 -19.660 -1.200 1.00 0.00 N ATOM 0 H ASN A 88 -1.915 -16.862 -4.267 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.065 -17.131 -2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.327 -19.454 -3.158 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.101 -19.216 -2.170 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.571 -20.008 -0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.457 -19.452 -2.094 1.00 0.00 H new ATOM 1313 N THR A 89 0.233 -15.467 -1.957 1.00 0.00 N ATOM 1314 CA THR A 89 1.243 -14.675 -1.267 1.00 0.00 C ATOM 1315 C THR A 89 0.792 -13.227 -1.107 1.00 0.00 C ATOM 1316 O THR A 89 0.395 -12.581 -2.076 1.00 0.00 O ATOM 1317 CB THR A 89 2.587 -14.701 -2.018 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.783 -15.983 -2.627 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.741 -14.402 -1.074 1.00 0.00 C ATOM 0 H THR A 89 -0.258 -14.970 -2.700 1.00 0.00 H new ATOM 0 HA THR A 89 1.376 -15.123 -0.282 1.00 0.00 H new ATOM 0 HB THR A 89 2.561 -13.932 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.160 -16.088 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.680 -14.426 -1.628 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.605 -13.414 -0.634 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.767 -15.151 -0.283 1.00 0.00 H new ATOM 1327 N MET A 90 0.857 -12.724 0.122 1.00 0.00 N ATOM 1328 CA MET A 90 0.457 -11.352 0.407 1.00 0.00 C ATOM 1329 C MET A 90 1.678 -10.458 0.600 1.00 0.00 C ATOM 1330 O MET A 90 2.745 -10.926 0.998 1.00 0.00 O ATOM 1331 CB MET A 90 -0.427 -11.304 1.655 1.00 0.00 C ATOM 1332 CG MET A 90 -0.936 -9.911 1.987 1.00 0.00 C ATOM 1333 SD MET A 90 0.162 -9.017 3.103 1.00 0.00 S ATOM 1334 CE MET A 90 0.124 -10.084 4.542 1.00 0.00 C ATOM 0 H MET A 90 1.183 -13.246 0.935 1.00 0.00 H new ATOM 0 HA MET A 90 -0.111 -10.982 -0.446 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.279 -11.969 1.512 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.138 -11.688 2.505 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.052 -9.342 1.065 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.924 -9.988 2.441 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.015 -9.480 5.439 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.700 -10.791 4.449 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.064 -10.630 4.615 1.00 0.00 H new ATOM 1344 N TYR A 91 1.514 -9.171 0.315 1.00 0.00 N ATOM 1345 CA TYR A 91 2.605 -8.213 0.454 1.00 0.00 C ATOM 1346 C TYR A 91 2.107 -6.906 1.064 1.00 0.00 C ATOM 1347 O TYR A 91 0.925 -6.766 1.379 1.00 0.00 O ATOM 1348 CB TYR A 91 3.250 -7.941 -0.905 1.00 0.00 C ATOM 1349 CG TYR A 91 3.073 -9.070 -1.896 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.574 -10.338 -1.630 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.406 -8.868 -3.098 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.416 -11.373 -2.532 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.242 -9.897 -4.005 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.749 -11.147 -3.718 1.00 0.00 C ATOM 1355 OH TYR A 91 2.588 -12.174 -4.620 1.00 0.00 O ATOM 0 H TYR A 91 0.637 -8.767 -0.013 1.00 0.00 H new ATOM 0 HA TYR A 91 3.351 -8.645 1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.823 -7.030 -1.325 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.315 -7.758 -0.762 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.096 -10.518 -0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.009 -7.890 -3.327 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.812 -12.353 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.719 -9.723 -4.934 1.00 0.00 H new ATOM 0 HH TYR A 91 1.774 -12.675 -4.403 1.00 0.00 H new ATOM 1365 N GLU A 92 3.017 -5.951 1.226 1.00 0.00 N ATOM 1366 CA GLU A 92 2.671 -4.655 1.798 1.00 0.00 C ATOM 1367 C GLU A 92 2.546 -3.595 0.707 1.00 0.00 C ATOM 1368 O GLU A 92 3.465 -3.396 -0.088 1.00 0.00 O ATOM 1369 CB GLU A 92 3.724 -4.227 2.822 1.00 0.00 C ATOM 1370 CG GLU A 92 3.901 -2.721 2.920 1.00 0.00 C ATOM 1371 CD GLU A 92 4.537 -2.292 4.228 1.00 0.00 C ATOM 1372 OE1 GLU A 92 5.052 -3.168 4.953 1.00 0.00 O ATOM 1373 OE2 GLU A 92 4.519 -1.079 4.526 1.00 0.00 O ATOM 0 H GLU A 92 3.999 -6.050 0.969 1.00 0.00 H new ATOM 0 HA GLU A 92 1.707 -4.753 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.445 -4.616 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.680 -4.680 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.518 -2.377 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.930 -2.237 2.817 1.00 0.00 H new ATOM 1380 N PHE A 93 1.403 -2.919 0.676 1.00 0.00 N ATOM 1381 CA PHE A 93 1.156 -1.880 -0.318 1.00 0.00 C ATOM 1382 C PHE A 93 0.977 -0.520 0.351 1.00 0.00 C ATOM 1383 O PHE A 93 0.375 -0.416 1.419 1.00 0.00 O ATOM 1384 CB PHE A 93 -0.084 -2.222 -1.146 1.00 0.00 C ATOM 1385 CG PHE A 93 0.119 -3.380 -2.080 1.00 0.00 C ATOM 1386 CD1 PHE A 93 0.297 -4.662 -1.587 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.131 -3.186 -3.452 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.485 -5.729 -2.444 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.318 -4.250 -4.315 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.494 -5.523 -3.810 1.00 0.00 C ATOM 0 H PHE A 93 0.633 -3.071 1.327 1.00 0.00 H new ATOM 0 HA PHE A 93 2.022 -1.829 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.910 -2.450 -0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.377 -1.346 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.289 -4.829 -0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.007 -2.192 -3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.625 -6.723 -2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.326 -4.086 -5.382 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.638 -6.356 -4.482 1.00 0.00 H new ATOM 1400 N SER A 94 1.504 0.520 -0.287 1.00 0.00 N ATOM 1401 CA SER A 94 1.407 1.873 0.246 1.00 0.00 C ATOM 1402 C SER A 94 1.423 2.903 -0.879 1.00 0.00 C ATOM 1403 O SER A 94 1.754 2.587 -2.022 1.00 0.00 O ATOM 1404 CB SER A 94 2.558 2.145 1.218 1.00 0.00 C ATOM 1405 OG SER A 94 2.199 1.796 2.543 1.00 0.00 O ATOM 0 H SER A 94 2.003 0.451 -1.174 1.00 0.00 H new ATOM 0 HA SER A 94 0.461 1.959 0.780 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.437 1.576 0.914 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.831 3.199 1.178 1.00 0.00 H new ATOM 0 HG SER A 94 1.774 2.563 2.980 1.00 0.00 H new ATOM 1411 N VAL A 95 1.061 4.139 -0.547 1.00 0.00 N ATOM 1412 CA VAL A 95 1.034 5.217 -1.528 1.00 0.00 C ATOM 1413 C VAL A 95 1.612 6.503 -0.948 1.00 0.00 C ATOM 1414 O VAL A 95 1.597 6.710 0.265 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.399 5.489 -2.023 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.393 6.541 -3.122 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.047 4.202 -2.509 1.00 0.00 C ATOM 0 H VAL A 95 0.783 4.418 0.394 1.00 0.00 H new ATOM 0 HA VAL A 95 1.647 4.894 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.987 5.873 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.414 6.720 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.030 7.468 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.209 6.189 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.059 4.412 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.462 3.787 -3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.086 3.483 -1.691 1.00 0.00 H new ATOM 1427 N MET A 96 2.121 7.364 -1.822 1.00 0.00 N ATOM 1428 CA MET A 96 2.703 8.632 -1.396 1.00 0.00 C ATOM 1429 C MET A 96 2.578 9.684 -2.494 1.00 0.00 C ATOM 1430 O MET A 96 1.963 9.441 -3.533 1.00 0.00 O ATOM 1431 CB MET A 96 4.174 8.442 -1.021 1.00 0.00 C ATOM 1432 CG MET A 96 4.990 7.743 -2.096 1.00 0.00 C ATOM 1433 SD MET A 96 6.751 7.701 -1.714 1.00 0.00 S ATOM 1434 CE MET A 96 7.177 9.433 -1.886 1.00 0.00 C ATOM 0 H MET A 96 2.143 7.207 -2.830 1.00 0.00 H new ATOM 0 HA MET A 96 2.154 8.979 -0.521 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.617 9.417 -0.816 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.234 7.865 -0.098 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.624 6.723 -2.219 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.841 8.252 -3.048 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.966 9.686 -1.178 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.526 9.623 -2.901 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.298 10.046 -1.684 1.00 0.00 H new ATOM 1444 N VAL A 97 3.166 10.852 -2.258 1.00 0.00 N ATOM 1445 CA VAL A 97 3.121 11.941 -3.227 1.00 0.00 C ATOM 1446 C VAL A 97 4.436 12.711 -3.249 1.00 0.00 C ATOM 1447 O VAL A 97 5.027 12.984 -2.204 1.00 0.00 O ATOM 1448 CB VAL A 97 1.971 12.918 -2.920 1.00 0.00 C ATOM 1449 CG1 VAL A 97 1.865 13.166 -1.423 1.00 0.00 C ATOM 1450 CG2 VAL A 97 2.169 14.225 -3.673 1.00 0.00 C ATOM 0 H VAL A 97 3.679 11.069 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 97 2.952 11.489 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 97 1.036 12.469 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.047 13.859 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.673 12.223 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.799 13.594 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.348 14.904 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.112 14.681 -3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.190 14.028 -4.745 1.00 0.00 H new ATOM 1460 N THR A 98 4.891 13.061 -4.449 1.00 0.00 N ATOM 1461 CA THR A 98 6.137 13.800 -4.608 1.00 0.00 C ATOM 1462 C THR A 98 5.897 15.142 -5.290 1.00 0.00 C ATOM 1463 O THR A 98 5.872 15.231 -6.518 1.00 0.00 O ATOM 1464 CB THR A 98 7.165 12.997 -5.428 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.493 11.781 -4.746 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.429 13.812 -5.657 1.00 0.00 C ATOM 0 H THR A 98 4.415 12.844 -5.324 1.00 0.00 H new ATOM 0 HA THR A 98 6.534 13.970 -3.607 1.00 0.00 H new ATOM 0 HB THR A 98 6.722 12.762 -6.396 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.146 11.275 -5.274 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.140 13.225 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.181 14.723 -6.201 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.873 14.073 -4.696 1.00 0.00 H new ATOM 1474 N LYS A 99 5.721 16.185 -4.487 1.00 0.00 N ATOM 1475 CA LYS A 99 5.484 17.525 -5.012 1.00 0.00 C ATOM 1476 C LYS A 99 6.479 18.522 -4.426 1.00 0.00 C ATOM 1477 O LYS A 99 6.973 18.340 -3.315 1.00 0.00 O ATOM 1478 CB LYS A 99 4.054 17.972 -4.701 1.00 0.00 C ATOM 1479 CG LYS A 99 3.818 19.455 -4.928 1.00 0.00 C ATOM 1480 CD LYS A 99 4.082 20.261 -3.668 1.00 0.00 C ATOM 1481 CE LYS A 99 2.820 20.426 -2.836 1.00 0.00 C ATOM 1482 NZ LYS A 99 3.089 21.134 -1.554 1.00 0.00 N ATOM 0 H LYS A 99 5.738 16.129 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 99 5.621 17.494 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.361 17.403 -5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.824 17.731 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.466 19.809 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.790 19.615 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.849 19.766 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.472 21.242 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.078 20.982 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.392 19.445 -2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.237 21.652 -1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.344 20.441 -0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.874 21.804 -1.685 1.00 0.00 H new ATOM 1496 N ASN A 100 6.766 19.577 -5.182 1.00 0.00 N ATOM 1497 CA ASN A 100 7.701 20.604 -4.736 1.00 0.00 C ATOM 1498 C ASN A 100 9.139 20.101 -4.814 1.00 0.00 C ATOM 1499 O ASN A 100 9.990 20.495 -4.016 1.00 0.00 O ATOM 1500 CB ASN A 100 7.376 21.033 -3.304 1.00 0.00 C ATOM 1501 CG ASN A 100 7.997 22.369 -2.945 1.00 0.00 C ATOM 1502 OD1 ASN A 100 8.714 22.968 -3.747 1.00 0.00 O ATOM 1503 ND2 ASN A 100 7.725 22.842 -1.735 1.00 0.00 N ATOM 0 H ASN A 100 6.365 19.743 -6.105 1.00 0.00 H new ATOM 0 HA ASN A 100 7.599 21.464 -5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.294 21.094 -3.183 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.732 20.272 -2.610 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.115 23.736 -1.437 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.126 22.311 -1.103 1.00 0.00 H new ATOM 1510 N ARG A 101 9.404 19.229 -5.782 1.00 0.00 N ATOM 1511 CA ARG A 101 10.739 18.671 -5.964 1.00 0.00 C ATOM 1512 C ARG A 101 11.156 17.851 -4.746 1.00 0.00 C ATOM 1513 O ARG A 101 12.344 17.729 -4.445 1.00 0.00 O ATOM 1514 CB ARG A 101 11.752 19.790 -6.211 1.00 0.00 C ATOM 1515 CG ARG A 101 11.491 20.578 -7.484 1.00 0.00 C ATOM 1516 CD ARG A 101 12.613 21.565 -7.768 1.00 0.00 C ATOM 1517 NE ARG A 101 12.625 22.670 -6.814 1.00 0.00 N ATOM 1518 CZ ARG A 101 13.607 23.561 -6.733 1.00 0.00 C ATOM 1519 NH1 ARG A 101 14.650 23.477 -7.547 1.00 0.00 N ATOM 1520 NH2 ARG A 101 13.546 24.538 -5.838 1.00 0.00 N ATOM 0 H ARG A 101 8.712 18.894 -6.452 1.00 0.00 H new ATOM 0 HA ARG A 101 10.716 18.013 -6.832 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.740 20.473 -5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.752 19.359 -6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.388 19.891 -8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.547 21.115 -7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.570 21.045 -7.733 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.502 21.959 -8.778 1.00 0.00 H new ATOM 0 HE ARG A 101 11.836 22.763 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.699 22.727 -8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.403 24.162 -7.483 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.744 24.606 -5.211 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.301 25.221 -5.777 1.00 0.00 H new ATOM 1534 N ARG A 102 10.172 17.292 -4.050 1.00 0.00 N ATOM 1535 CA ARG A 102 10.437 16.486 -2.865 1.00 0.00 C ATOM 1536 C ARG A 102 9.413 15.363 -2.731 1.00 0.00 C ATOM 1537 O ARG A 102 8.290 15.471 -3.223 1.00 0.00 O ATOM 1538 CB ARG A 102 10.415 17.362 -1.611 1.00 0.00 C ATOM 1539 CG ARG A 102 9.025 17.555 -1.027 1.00 0.00 C ATOM 1540 CD ARG A 102 9.083 18.218 0.341 1.00 0.00 C ATOM 1541 NE ARG A 102 9.773 17.386 1.323 1.00 0.00 N ATOM 1542 CZ ARG A 102 9.206 16.356 1.942 1.00 0.00 C ATOM 1543 NH1 ARG A 102 7.947 16.032 1.680 1.00 0.00 N ATOM 1544 NH2 ARG A 102 9.899 15.647 2.824 1.00 0.00 N ATOM 0 H ARG A 102 9.184 17.382 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 102 11.426 16.042 -2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 102 11.059 16.914 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.837 18.338 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.426 18.165 -1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.527 16.589 -0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.592 19.178 0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.070 18.424 0.688 1.00 0.00 H new ATOM 0 HE ARG A 102 10.743 17.608 1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 102 7.411 16.574 1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.514 15.241 2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.868 15.893 3.027 1.00 0.00 H new ATOM 0 HH22 ARG A 102 9.463 14.857 3.299 1.00 0.00 H new ATOM 1558 N SER A 103 9.809 14.284 -2.063 1.00 0.00 N ATOM 1559 CA SER A 103 8.928 13.139 -1.868 1.00 0.00 C ATOM 1560 C SER A 103 8.423 13.080 -0.430 1.00 0.00 C ATOM 1561 O SER A 103 9.194 13.229 0.517 1.00 0.00 O ATOM 1562 CB SER A 103 9.659 11.841 -2.217 1.00 0.00 C ATOM 1563 OG SER A 103 10.718 11.592 -1.309 1.00 0.00 O ATOM 0 H SER A 103 10.735 14.179 -1.648 1.00 0.00 H new ATOM 0 HA SER A 103 8.071 13.255 -2.531 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.956 11.008 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.053 11.903 -3.232 1.00 0.00 H new ATOM 0 HG SER A 103 11.168 10.756 -1.553 1.00 0.00 H new ATOM 1569 N SER A 104 7.121 12.863 -0.275 1.00 0.00 N ATOM 1570 CA SER A 104 6.510 12.788 1.047 1.00 0.00 C ATOM 1571 C SER A 104 6.525 11.356 1.572 1.00 0.00 C ATOM 1572 O SER A 104 6.930 10.428 0.871 1.00 0.00 O ATOM 1573 CB SER A 104 5.072 13.309 0.998 1.00 0.00 C ATOM 1574 OG SER A 104 4.264 12.669 1.970 1.00 0.00 O ATOM 0 H SER A 104 6.469 12.736 -1.049 1.00 0.00 H new ATOM 0 HA SER A 104 7.093 13.412 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.066 14.386 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.654 13.140 0.005 1.00 0.00 H new ATOM 0 HG SER A 104 3.351 13.021 1.919 1.00 0.00 H new ATOM 1580 N THR A 105 6.082 11.183 2.814 1.00 0.00 N ATOM 1581 CA THR A 105 6.046 9.865 3.436 1.00 0.00 C ATOM 1582 C THR A 105 4.886 9.035 2.899 1.00 0.00 C ATOM 1583 O THR A 105 4.011 9.552 2.203 1.00 0.00 O ATOM 1584 CB THR A 105 5.921 9.970 4.967 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.085 8.678 5.562 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.570 10.548 5.362 1.00 0.00 C ATOM 0 H THR A 105 5.743 11.939 3.409 1.00 0.00 H new ATOM 0 HA THR A 105 6.987 9.373 3.188 1.00 0.00 H new ATOM 0 HB THR A 105 6.703 10.638 5.328 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.006 8.754 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.505 10.612 6.448 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.461 11.544 4.932 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.775 9.902 4.989 1.00 0.00 H new ATOM 1594 N TRP A 106 4.884 7.748 3.226 1.00 0.00 N ATOM 1595 CA TRP A 106 3.829 6.847 2.776 1.00 0.00 C ATOM 1596 C TRP A 106 2.662 6.842 3.757 1.00 0.00 C ATOM 1597 O TRP A 106 2.820 7.195 4.926 1.00 0.00 O ATOM 1598 CB TRP A 106 4.378 5.429 2.610 1.00 0.00 C ATOM 1599 CG TRP A 106 5.467 5.330 1.586 1.00 0.00 C ATOM 1600 CD1 TRP A 106 6.802 5.538 1.786 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.314 4.998 0.201 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.487 5.357 0.609 1.00 0.00 N ATOM 1603 CE2 TRP A 106 6.597 5.024 -0.378 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.217 4.681 -0.605 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 6.812 4.746 -1.725 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 4.431 4.405 -1.942 1.00 0.00 C ATOM 1607 CH2 TRP A 106 5.720 4.438 -2.491 1.00 0.00 C ATOM 0 H TRP A 106 5.601 7.305 3.801 1.00 0.00 H new ATOM 0 HA TRP A 106 3.467 7.204 1.812 1.00 0.00 H new ATOM 0 HB2 TRP A 106 4.759 5.080 3.570 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.563 4.762 2.329 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.253 5.805 2.730 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.495 5.455 0.489 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.220 4.652 -0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 7.804 4.772 -2.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 3.591 4.160 -2.575 1.00 0.00 H new ATOM 0 HH2 TRP A 106 5.855 4.216 -3.539 1.00 0.00 H new ATOM 1618 N SER A 107 1.490 6.441 3.274 1.00 0.00 N ATOM 1619 CA SER A 107 0.295 6.394 4.108 1.00 0.00 C ATOM 1620 C SER A 107 0.055 4.983 4.635 1.00 0.00 C ATOM 1621 O SER A 107 0.777 4.048 4.288 1.00 0.00 O ATOM 1622 CB SER A 107 -0.925 6.869 3.317 1.00 0.00 C ATOM 1623 OG SER A 107 -2.124 6.626 4.032 1.00 0.00 O ATOM 0 H SER A 107 1.343 6.144 2.309 1.00 0.00 H new ATOM 0 HA SER A 107 0.450 7.059 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.833 7.935 3.107 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.961 6.356 2.356 1.00 0.00 H new ATOM 0 HG SER A 107 -2.663 7.444 4.054 1.00 0.00 H new ATOM 1629 N MET A 108 -0.964 4.836 5.475 1.00 0.00 N ATOM 1630 CA MET A 108 -1.301 3.539 6.049 1.00 0.00 C ATOM 1631 C MET A 108 -1.159 2.431 5.010 1.00 0.00 C ATOM 1632 O MET A 108 -1.654 2.550 3.888 1.00 0.00 O ATOM 1633 CB MET A 108 -2.728 3.556 6.601 1.00 0.00 C ATOM 1634 CG MET A 108 -3.764 4.023 5.592 1.00 0.00 C ATOM 1635 SD MET A 108 -5.447 3.589 6.073 1.00 0.00 S ATOM 1636 CE MET A 108 -5.525 1.884 5.528 1.00 0.00 C ATOM 0 H MET A 108 -1.571 5.600 5.773 1.00 0.00 H new ATOM 0 HA MET A 108 -0.606 3.340 6.865 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.989 2.554 6.941 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.763 4.208 7.474 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.691 5.104 5.476 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.543 3.582 4.620 1.00 0.00 H new ATOM 0 HE1 MET A 108 -6.333 1.770 4.805 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.579 1.607 5.062 1.00 0.00 H new ATOM 0 HE3 MET A 108 -5.711 1.236 6.385 1.00 0.00 H new ATOM 1646 N THR A 109 -0.479 1.353 5.389 1.00 0.00 N ATOM 1647 CA THR A 109 -0.271 0.225 4.490 1.00 0.00 C ATOM 1648 C THR A 109 -1.514 -0.653 4.412 1.00 0.00 C ATOM 1649 O THR A 109 -2.320 -0.688 5.341 1.00 0.00 O ATOM 1650 CB THR A 109 0.925 -0.636 4.938 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.149 0.075 4.723 1.00 0.00 O ATOM 1652 CG2 THR A 109 0.958 -1.953 4.177 1.00 0.00 C ATOM 0 H THR A 109 -0.063 1.238 6.313 1.00 0.00 H new ATOM 0 HA THR A 109 -0.062 0.641 3.504 1.00 0.00 H new ATOM 0 HB THR A 109 0.812 -0.850 6.001 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.060 0.649 3.934 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.811 -2.544 4.510 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.038 -2.505 4.366 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.049 -1.754 3.109 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.664 -1.361 3.297 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.809 -2.241 3.100 1.00 0.00 C ATOM 1662 C ALA A 110 -2.359 -3.659 2.763 1.00 0.00 C ATOM 1663 O ALA A 110 -1.608 -3.874 1.811 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.710 -1.697 2.001 1.00 0.00 C ATOM 0 H ALA A 110 -1.007 -1.342 2.517 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.373 -2.278 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.561 -2.364 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.067 -0.706 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.148 -1.631 1.069 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.822 -4.625 3.552 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.467 -6.023 3.337 1.00 0.00 C ATOM 1672 C HIS A 111 -3.513 -6.723 2.474 1.00 0.00 C ATOM 1673 O HIS A 111 -4.709 -6.654 2.754 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.326 -6.747 4.676 1.00 0.00 C ATOM 1675 CG HIS A 111 -1.004 -6.522 5.343 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.166 -6.317 4.643 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.671 -6.469 6.654 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.162 -6.149 5.495 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.680 -6.237 6.722 1.00 0.00 N ATOM 0 H HIS A 111 -3.443 -4.465 4.345 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.511 -6.053 2.814 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.121 -6.416 5.344 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.466 -7.816 4.518 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.343 -6.587 7.491 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.194 -5.970 5.233 1.00 0.00 H new ATOM 0 HE2 HIS A 111 1.224 -6.147 7.580 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.053 -7.395 1.424 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.948 -8.108 0.521 1.00 0.00 C ATOM 1690 C ALA A 112 -3.283 -9.363 -0.034 1.00 0.00 C ATOM 1691 O ALA A 112 -2.297 -9.283 -0.769 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.389 -7.196 -0.614 1.00 0.00 C ATOM 0 H ALA A 112 -2.065 -7.461 1.178 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.827 -8.415 1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.057 -7.742 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.912 -6.332 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.515 -6.860 -1.172 1.00 0.00 H new ATOM 1698 N THR A 113 -3.826 -10.522 0.322 1.00 0.00 N ATOM 1699 CA THR A 113 -3.284 -11.794 -0.139 1.00 0.00 C ATOM 1700 C THR A 113 -3.872 -12.184 -1.491 1.00 0.00 C ATOM 1701 O THR A 113 -5.029 -11.885 -1.787 1.00 0.00 O ATOM 1702 CB THR A 113 -3.560 -12.922 0.873 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.356 -12.444 2.207 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.654 -14.116 0.612 1.00 0.00 C ATOM 0 H THR A 113 -4.642 -10.606 0.929 1.00 0.00 H new ATOM 0 HA THR A 113 -2.207 -11.661 -0.239 1.00 0.00 H new ATOM 0 HB THR A 113 -4.596 -13.240 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.535 -13.167 2.844 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.867 -14.900 1.339 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.833 -14.495 -0.394 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.612 -13.809 0.704 1.00 0.00 H new ATOM 1712 N THR A 114 -3.067 -12.855 -2.309 1.00 0.00 N ATOM 1713 CA THR A 114 -3.507 -13.287 -3.630 1.00 0.00 C ATOM 1714 C THR A 114 -4.171 -14.657 -3.568 1.00 0.00 C ATOM 1715 O THR A 114 -3.887 -15.456 -2.675 1.00 0.00 O ATOM 1716 CB THR A 114 -2.331 -13.343 -4.623 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.279 -14.156 -4.092 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.802 -11.947 -4.915 1.00 0.00 C ATOM 0 H THR A 114 -2.107 -13.111 -2.080 1.00 0.00 H new ATOM 0 HA THR A 114 -4.232 -12.551 -3.978 1.00 0.00 H new ATOM 0 HB THR A 114 -2.692 -13.780 -5.554 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.476 -14.054 -4.644 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.972 -12.012 -5.619 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.597 -11.340 -5.347 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.457 -11.487 -3.989 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.056 -14.925 -4.522 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.762 -16.199 -4.575 1.00 0.00 C ATOM 1728 C TYR A 115 -4.822 -17.325 -4.996 1.00 0.00 C ATOM 1729 O TYR A 115 -3.850 -17.100 -5.716 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.940 -16.114 -5.546 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.865 -14.948 -5.275 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -7.643 -13.709 -5.864 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -8.958 -15.086 -4.429 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -8.485 -12.641 -5.619 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -9.806 -14.024 -4.180 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.565 -12.804 -4.777 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.406 -11.743 -4.529 1.00 0.00 O ATOM 0 H TYR A 115 -5.301 -14.276 -5.270 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.139 -16.418 -3.576 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.557 -16.034 -6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.512 -17.041 -5.493 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.798 -13.579 -6.524 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -9.148 -16.039 -3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.298 -11.684 -6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -10.653 -14.148 -3.522 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.032 -10.929 -4.926 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.122 -18.538 -4.541 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.304 -19.700 -4.870 1.00 0.00 C ATOM 1749 C GLU A 116 -4.424 -20.048 -6.351 1.00 0.00 C ATOM 1750 O GLU A 116 -5.478 -20.483 -6.814 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.719 -20.901 -4.017 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.587 -21.879 -3.752 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.005 -23.026 -2.853 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -5.154 -23.496 -2.985 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.182 -23.452 -2.015 1.00 0.00 O ATOM 0 H GLU A 116 -5.924 -18.741 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.264 -19.453 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.108 -20.542 -3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.533 -21.427 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.227 -22.278 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.753 -21.348 -3.293 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.336 -19.852 -7.089 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.318 -20.146 -8.516 1.00 0.00 C ATOM 1764 C ALA A 117 -3.963 -21.497 -8.807 1.00 0.00 C ATOM 1765 O ALA A 117 -4.123 -22.324 -7.910 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.891 -20.116 -9.043 1.00 0.00 C ATOM 0 H ALA A 117 -2.456 -19.491 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.899 -19.378 -9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.893 -20.337 -10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.463 -19.127 -8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.294 -20.862 -8.519 1.00 0.00 H new ATOM 1772 N SER A 118 -4.331 -21.713 -10.065 1.00 0.00 N ATOM 1773 CA SER A 118 -4.963 -22.962 -10.473 1.00 0.00 C ATOM 1774 C SER A 118 -4.007 -23.808 -11.308 1.00 0.00 C ATOM 1775 O SER A 118 -3.148 -23.280 -12.014 1.00 0.00 O ATOM 1776 CB SER A 118 -6.238 -22.678 -11.269 1.00 0.00 C ATOM 1777 OG SER A 118 -7.119 -23.787 -11.236 1.00 0.00 O ATOM 0 H SER A 118 -4.202 -21.039 -10.820 1.00 0.00 H new ATOM 0 HA SER A 118 -5.222 -23.519 -9.573 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.738 -21.800 -10.859 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.981 -22.445 -12.302 1.00 0.00 H new ATOM 0 HG SER A 118 -7.927 -23.579 -11.751 1.00 0.00 H new ATOM 1783 N GLY A 119 -4.162 -25.126 -11.222 1.00 0.00 N ATOM 1784 CA GLY A 119 -3.305 -26.024 -11.974 1.00 0.00 C ATOM 1785 C GLY A 119 -3.574 -27.482 -11.656 1.00 0.00 C ATOM 1786 O GLY A 119 -4.455 -28.114 -12.239 1.00 0.00 O ATOM 0 H GLY A 119 -4.865 -25.587 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -3.453 -25.854 -13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -2.262 -25.794 -11.756 1.00 0.00 H new ATOM 1790 N PRO A 120 -2.800 -28.038 -10.713 1.00 0.00 N ATOM 1791 CA PRO A 120 -2.940 -29.438 -10.298 1.00 0.00 C ATOM 1792 C PRO A 120 -4.231 -29.688 -9.527 1.00 0.00 C ATOM 1793 O PRO A 120 -4.626 -30.834 -9.314 1.00 0.00 O ATOM 1794 CB PRO A 120 -1.724 -29.663 -9.395 1.00 0.00 C ATOM 1795 CG PRO A 120 -1.381 -28.309 -8.877 1.00 0.00 C ATOM 1796 CD PRO A 120 -1.730 -27.344 -9.976 1.00 0.00 C ATOM 0 HA PRO A 120 -2.985 -30.114 -11.152 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -1.957 -30.351 -8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -0.893 -30.096 -9.951 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -1.941 -28.085 -7.969 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -0.323 -28.245 -8.623 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -2.071 -26.388 -9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -0.872 -27.135 -10.615 1.00 0.00 H new ATOM 1804 N SER A 121 -4.884 -28.608 -9.110 1.00 0.00 N ATOM 1805 CA SER A 121 -6.130 -28.712 -8.358 1.00 0.00 C ATOM 1806 C SER A 121 -7.335 -28.573 -9.283 1.00 0.00 C ATOM 1807 O SER A 121 -7.191 -28.274 -10.468 1.00 0.00 O ATOM 1808 CB SER A 121 -6.183 -27.639 -7.268 1.00 0.00 C ATOM 1809 OG SER A 121 -7.004 -28.049 -6.189 1.00 0.00 O ATOM 0 H SER A 121 -4.572 -27.652 -9.280 1.00 0.00 H new ATOM 0 HA SER A 121 -6.164 -29.696 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 121 -5.176 -27.434 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.566 -26.709 -7.687 1.00 0.00 H new ATOM 0 HG SER A 121 -7.020 -27.347 -5.505 1.00 0.00 H new ATOM 1815 N SER A 122 -8.524 -28.793 -8.731 1.00 0.00 N ATOM 1816 CA SER A 122 -9.756 -28.697 -9.506 1.00 0.00 C ATOM 1817 C SER A 122 -10.920 -28.256 -8.624 1.00 0.00 C ATOM 1818 O SER A 122 -10.809 -28.227 -7.399 1.00 0.00 O ATOM 1819 CB SER A 122 -10.078 -30.042 -10.160 1.00 0.00 C ATOM 1820 OG SER A 122 -11.215 -29.942 -11.000 1.00 0.00 O ATOM 0 H SER A 122 -8.660 -29.039 -7.751 1.00 0.00 H new ATOM 0 HA SER A 122 -9.609 -27.948 -10.284 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.221 -30.381 -10.742 1.00 0.00 H new ATOM 0 HB3 SER A 122 -10.257 -30.791 -9.389 1.00 0.00 H new ATOM 0 HG SER A 122 -11.399 -30.814 -11.407 1.00 0.00 H new ATOM 1826 N GLY A 123 -12.038 -27.913 -9.258 1.00 0.00 N ATOM 1827 CA GLY A 123 -13.207 -27.477 -8.516 1.00 0.00 C ATOM 1828 C GLY A 123 -13.878 -28.614 -7.772 1.00 0.00 C ATOM 1829 O GLY A 123 -13.331 -29.714 -7.681 1.00 0.00 O ATOM 0 H GLY A 123 -12.155 -27.929 -10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.915 -26.704 -7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -13.922 -27.024 -9.203 1.00 0.00 H new TER 1833 GLY A 123