USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 777 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 22 THR OG1 : rot 180:sc=-0.00721 USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 153:sc= 1.18 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.127 USER MOD Single : A 5 SER OG : rot 23:sc= 0.97 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -45:sc= 0.561 USER MOD Single : A 13 GLN : amide:sc= 0.254 K(o=0.25,f=-1.7!) USER MOD Single : A 14 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.26) USER MOD Single : A 18 THR OG1 : rot -22:sc= 0.106 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.58 USER MOD Single : A 38 ASN : amide:sc= -2.28 K(o=-2.3,f=-0.21) USER MOD Single : A 43 SER OG : rot -27:sc= 0.547 USER MOD Single : A 44 TYR OH : rot 90:sc= -0.871! USER MOD Single : A 45 THR OG1 : rot 65:sc= 0.896 USER MOD Single : A 52 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.45) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.04) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 59 ASN : amide:sc= -4.14! C(o=-4.1!,f=-5.2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0609 USER MOD Single : A 67 THR OG1 : rot -176:sc= -0.362 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 6:sc= -0.854 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 49:sc= 1.78 USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00406) USER MOD Single : A 85 THR OG1 : rot 127:sc= -1.45 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -172:sc= -0.722 USER MOD Single : A 93 SER OG : rot 73:sc= -1.71! USER MOD Single : A 95 SER OG : rot 174:sc= 1.2 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -170:sc= -0.0439 USER MOD Single : A 100 THR OG1 : rot -128:sc= -0.203 USER MOD Single : A 101 MET CE :methyl -116:sc= -1.27 (180deg=-4.53!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.043 -14.275 -21.118 1.00 0.00 N ATOM 2 CA GLY A 1 4.225 -14.958 -20.625 1.00 0.00 C ATOM 3 C GLY A 1 4.067 -15.428 -19.193 1.00 0.00 C ATOM 4 O GLY A 1 4.324 -14.675 -18.254 1.00 0.00 O ATOM 0 H1 GLY A 1 3.201 -13.973 -22.101 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.228 -14.920 -21.081 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.852 -13.441 -20.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.439 -15.815 -21.264 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.082 -14.288 -20.692 1.00 0.00 H new ATOM 8 N SER A 2 3.642 -16.676 -19.024 1.00 0.00 N ATOM 9 CA SER A 2 3.445 -17.243 -17.695 1.00 0.00 C ATOM 10 C SER A 2 4.746 -17.834 -17.159 1.00 0.00 C ATOM 11 O SER A 2 5.322 -18.741 -17.758 1.00 0.00 O ATOM 12 CB SER A 2 2.360 -18.321 -17.733 1.00 0.00 C ATOM 13 OG SER A 2 1.113 -17.775 -18.127 1.00 0.00 O ATOM 0 H SER A 2 3.428 -17.314 -19.791 1.00 0.00 H new ATOM 0 HA SER A 2 3.128 -16.441 -17.028 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.651 -19.110 -18.427 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.265 -18.781 -16.749 1.00 0.00 H new ATOM 0 HG SER A 2 0.437 -18.484 -18.145 1.00 0.00 H new ATOM 19 N SER A 3 5.202 -17.311 -16.025 1.00 0.00 N ATOM 20 CA SER A 3 6.436 -17.783 -15.408 1.00 0.00 C ATOM 21 C SER A 3 6.152 -18.451 -14.066 1.00 0.00 C ATOM 22 O SER A 3 6.622 -19.557 -13.799 1.00 0.00 O ATOM 23 CB SER A 3 7.412 -16.620 -15.215 1.00 0.00 C ATOM 24 OG SER A 3 6.883 -15.653 -14.325 1.00 0.00 O ATOM 0 H SER A 3 4.736 -16.561 -15.515 1.00 0.00 H new ATOM 0 HA SER A 3 6.886 -18.520 -16.073 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.359 -16.996 -14.827 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.624 -16.155 -16.178 1.00 0.00 H new ATOM 0 HG SER A 3 7.526 -14.921 -14.217 1.00 0.00 H new ATOM 30 N GLY A 4 5.380 -17.771 -13.225 1.00 0.00 N ATOM 31 CA GLY A 4 5.046 -18.313 -11.921 1.00 0.00 C ATOM 32 C GLY A 4 4.316 -17.313 -11.047 1.00 0.00 C ATOM 33 O GLY A 4 4.700 -16.146 -10.973 1.00 0.00 O ATOM 0 H GLY A 4 4.980 -16.854 -13.423 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.426 -19.201 -12.048 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.959 -18.631 -11.419 1.00 0.00 H new ATOM 37 N SER A 5 3.258 -17.769 -10.384 1.00 0.00 N ATOM 38 CA SER A 5 2.468 -16.904 -9.515 1.00 0.00 C ATOM 39 C SER A 5 1.594 -17.730 -8.576 1.00 0.00 C ATOM 40 O SER A 5 0.642 -18.380 -9.007 1.00 0.00 O ATOM 41 CB SER A 5 1.595 -15.967 -10.351 1.00 0.00 C ATOM 42 OG SER A 5 0.610 -16.691 -11.068 1.00 0.00 O ATOM 0 H SER A 5 2.928 -18.733 -10.432 1.00 0.00 H new ATOM 0 HA SER A 5 3.155 -16.309 -8.914 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.113 -15.237 -9.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.220 -15.409 -11.048 1.00 0.00 H new ATOM 0 HG SER A 5 0.450 -17.551 -10.627 1.00 0.00 H new ATOM 48 N SER A 6 1.925 -17.698 -7.289 1.00 0.00 N ATOM 49 CA SER A 6 1.174 -18.446 -6.288 1.00 0.00 C ATOM 50 C SER A 6 0.641 -17.516 -5.202 1.00 0.00 C ATOM 51 O SER A 6 1.238 -17.383 -4.135 1.00 0.00 O ATOM 52 CB SER A 6 2.055 -19.528 -5.661 1.00 0.00 C ATOM 53 OG SER A 6 2.678 -20.320 -6.658 1.00 0.00 O ATOM 0 H SER A 6 2.708 -17.162 -6.915 1.00 0.00 H new ATOM 0 HA SER A 6 0.327 -18.920 -6.785 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.816 -19.064 -5.033 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.451 -20.163 -5.013 1.00 0.00 H new ATOM 0 HG SER A 6 3.237 -21.003 -6.232 1.00 0.00 H new ATOM 59 N GLY A 7 -0.490 -16.875 -5.483 1.00 0.00 N ATOM 60 CA GLY A 7 -1.085 -15.966 -4.522 1.00 0.00 C ATOM 61 C GLY A 7 -2.513 -15.600 -4.878 1.00 0.00 C ATOM 62 O GLY A 7 -3.153 -16.244 -5.709 1.00 0.00 O ATOM 0 H GLY A 7 -1.004 -16.969 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.066 -16.424 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.484 -15.058 -4.464 1.00 0.00 H new ATOM 66 N PRO A 8 -3.035 -14.544 -4.236 1.00 0.00 N ATOM 67 CA PRO A 8 -4.402 -14.071 -4.472 1.00 0.00 C ATOM 68 C PRO A 8 -4.568 -13.440 -5.850 1.00 0.00 C ATOM 69 O PRO A 8 -3.591 -13.027 -6.476 1.00 0.00 O ATOM 70 CB PRO A 8 -4.609 -13.023 -3.376 1.00 0.00 C ATOM 71 CG PRO A 8 -3.237 -12.545 -3.045 1.00 0.00 C ATOM 72 CD PRO A 8 -2.330 -13.730 -3.232 1.00 0.00 C ATOM 0 HA PRO A 8 -5.125 -14.886 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.240 -12.205 -3.724 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.099 -13.454 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.943 -11.722 -3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.189 -12.174 -2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.342 -13.429 -3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.186 -14.277 -2.300 1.00 0.00 H new ATOM 80 N SER A 9 -5.810 -13.369 -6.318 1.00 0.00 N ATOM 81 CA SER A 9 -6.103 -12.791 -7.625 1.00 0.00 C ATOM 82 C SER A 9 -6.964 -11.540 -7.484 1.00 0.00 C ATOM 83 O SER A 9 -7.658 -11.142 -8.419 1.00 0.00 O ATOM 84 CB SER A 9 -6.813 -13.816 -8.511 1.00 0.00 C ATOM 85 OG SER A 9 -6.907 -13.356 -9.848 1.00 0.00 O ATOM 0 H SER A 9 -6.630 -13.704 -5.812 1.00 0.00 H new ATOM 0 HA SER A 9 -5.159 -12.510 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.271 -14.761 -8.486 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.811 -14.011 -8.119 1.00 0.00 H new ATOM 0 HG SER A 9 -7.202 -12.422 -9.852 1.00 0.00 H new ATOM 91 N GLY A 10 -6.914 -10.923 -6.307 1.00 0.00 N ATOM 92 CA GLY A 10 -7.694 -9.724 -6.065 1.00 0.00 C ATOM 93 C GLY A 10 -6.987 -8.749 -5.143 1.00 0.00 C ATOM 94 O GLY A 10 -6.092 -9.134 -4.390 1.00 0.00 O ATOM 0 H GLY A 10 -6.347 -11.232 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.905 -9.233 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.654 -10.000 -5.629 1.00 0.00 H new ATOM 98 N PHE A 11 -7.388 -7.484 -5.203 1.00 0.00 N ATOM 99 CA PHE A 11 -6.785 -6.451 -4.369 1.00 0.00 C ATOM 100 C PHE A 11 -7.814 -5.853 -3.415 1.00 0.00 C ATOM 101 O PHE A 11 -9.021 -5.895 -3.656 1.00 0.00 O ATOM 102 CB PHE A 11 -6.182 -5.348 -5.243 1.00 0.00 C ATOM 103 CG PHE A 11 -7.058 -4.951 -6.396 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.196 -5.781 -7.497 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.744 -3.747 -6.380 1.00 0.00 C ATOM 106 CE1 PHE A 11 -8.001 -5.417 -8.560 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.551 -3.378 -7.440 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.680 -4.215 -8.531 1.00 0.00 C ATOM 0 H PHE A 11 -8.128 -7.149 -5.820 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.993 -6.912 -3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.989 -4.471 -4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.220 -5.686 -5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.669 -6.723 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.647 -3.089 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.099 -6.072 -9.413 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.080 -2.437 -7.415 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.311 -3.930 -9.360 1.00 0.00 H new ATOM 118 N PRO A 12 -7.328 -5.283 -2.302 1.00 0.00 N ATOM 119 CA PRO A 12 -8.187 -4.666 -1.288 1.00 0.00 C ATOM 120 C PRO A 12 -8.834 -3.377 -1.783 1.00 0.00 C ATOM 121 O PRO A 12 -8.544 -2.910 -2.884 1.00 0.00 O ATOM 122 CB PRO A 12 -7.223 -4.372 -0.136 1.00 0.00 C ATOM 123 CG PRO A 12 -5.887 -4.246 -0.784 1.00 0.00 C ATOM 124 CD PRO A 12 -5.901 -5.197 -1.949 1.00 0.00 C ATOM 0 HA PRO A 12 -9.019 -5.313 -1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.498 -3.456 0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.231 -5.174 0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.710 -3.223 -1.117 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.089 -4.497 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.303 -4.823 -2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.495 -6.171 -1.677 1.00 0.00 H new ATOM 132 N GLN A 13 -9.711 -2.807 -0.963 1.00 0.00 N ATOM 133 CA GLN A 13 -10.399 -1.572 -1.319 1.00 0.00 C ATOM 134 C GLN A 13 -10.305 -0.551 -0.189 1.00 0.00 C ATOM 135 O GLN A 13 -9.727 -0.826 0.862 1.00 0.00 O ATOM 136 CB GLN A 13 -11.866 -1.856 -1.645 1.00 0.00 C ATOM 137 CG GLN A 13 -12.084 -3.171 -2.376 1.00 0.00 C ATOM 138 CD GLN A 13 -11.931 -3.035 -3.878 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.630 -1.956 -4.388 1.00 0.00 O ATOM 140 NE2 GLN A 13 -12.139 -4.133 -4.596 1.00 0.00 N ATOM 0 H GLN A 13 -9.962 -3.181 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.912 -1.156 -2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.440 -1.866 -0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.258 -1.042 -2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.372 -3.910 -2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.081 -3.548 -2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.387 -5.007 -4.132 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.051 -4.102 -5.612 1.00 0.00 H new ATOM 149 N ASN A 14 -10.877 0.627 -0.414 1.00 0.00 N ATOM 150 CA ASN A 14 -10.857 1.689 0.585 1.00 0.00 C ATOM 151 C ASN A 14 -9.428 2.144 0.868 1.00 0.00 C ATOM 152 O ASN A 14 -9.111 2.581 1.975 1.00 0.00 O ATOM 153 CB ASN A 14 -11.518 1.212 1.880 1.00 0.00 C ATOM 154 CG ASN A 14 -13.009 1.487 1.904 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.543 1.992 2.892 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.689 1.154 0.813 1.00 0.00 N ATOM 0 H ASN A 14 -11.360 0.870 -1.279 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.417 2.536 0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.347 0.142 1.999 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.046 1.707 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.695 1.314 0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.205 0.738 0.017 1.00 0.00 H new ATOM 163 N LEU A 15 -8.570 2.037 -0.141 1.00 0.00 N ATOM 164 CA LEU A 15 -7.174 2.438 -0.002 1.00 0.00 C ATOM 165 C LEU A 15 -7.035 3.956 -0.055 1.00 0.00 C ATOM 166 O LEU A 15 -7.266 4.575 -1.095 1.00 0.00 O ATOM 167 CB LEU A 15 -6.327 1.798 -1.104 1.00 0.00 C ATOM 168 CG LEU A 15 -4.812 1.879 -0.918 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.394 1.190 0.371 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.095 1.262 -2.111 1.00 0.00 C ATOM 0 H LEU A 15 -8.816 1.677 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.818 2.093 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.607 0.748 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.582 2.271 -2.052 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.529 2.930 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.312 1.258 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.880 1.676 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.690 0.141 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.017 1.328 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.384 0.216 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.369 1.800 -3.018 1.00 0.00 H new ATOM 182 N HIS A 16 -6.655 4.550 1.071 1.00 0.00 N ATOM 183 CA HIS A 16 -6.482 5.996 1.152 1.00 0.00 C ATOM 184 C HIS A 16 -5.743 6.385 2.429 1.00 0.00 C ATOM 185 O HIS A 16 -5.305 5.523 3.192 1.00 0.00 O ATOM 186 CB HIS A 16 -7.840 6.697 1.102 1.00 0.00 C ATOM 187 CG HIS A 16 -8.814 6.190 2.121 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.905 5.412 1.797 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.854 6.351 3.464 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.576 5.119 2.896 1.00 0.00 C ATOM 191 NE2 HIS A 16 -9.959 5.677 3.922 1.00 0.00 N ATOM 0 H HIS A 16 -6.461 4.053 1.940 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.885 6.314 0.297 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.693 7.767 1.252 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.268 6.571 0.108 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.148 6.906 4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.476 4.524 2.947 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.255 5.617 4.896 1.00 0.00 H new ATOM 200 N VAL A 17 -5.607 7.688 2.655 1.00 0.00 N ATOM 201 CA VAL A 17 -4.921 8.190 3.840 1.00 0.00 C ATOM 202 C VAL A 17 -5.909 8.792 4.833 1.00 0.00 C ATOM 203 O VAL A 17 -6.739 9.627 4.472 1.00 0.00 O ATOM 204 CB VAL A 17 -3.869 9.253 3.471 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.519 10.415 2.736 1.00 0.00 C ATOM 206 CG2 VAL A 17 -3.143 9.738 4.716 1.00 0.00 C ATOM 0 H VAL A 17 -5.962 8.415 2.034 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.420 7.338 4.301 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.136 8.798 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.760 11.156 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.989 10.051 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.275 10.873 3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.403 10.489 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.861 10.177 5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.643 8.897 5.196 1.00 0.00 H new ATOM 216 N THR A 18 -5.813 8.363 6.088 1.00 0.00 N ATOM 217 CA THR A 18 -6.699 8.858 7.134 1.00 0.00 C ATOM 218 C THR A 18 -6.093 10.065 7.841 1.00 0.00 C ATOM 219 O THR A 18 -6.786 10.797 8.546 1.00 0.00 O ATOM 220 CB THR A 18 -7.002 7.766 8.177 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.880 8.281 9.185 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.720 7.263 8.823 1.00 0.00 C ATOM 0 H THR A 18 -5.131 7.674 6.404 1.00 0.00 H new ATOM 0 HA THR A 18 -7.629 9.153 6.647 1.00 0.00 H new ATOM 0 HB THR A 18 -7.484 6.932 7.667 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.822 9.259 9.201 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.960 6.493 9.556 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.067 6.845 8.057 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.214 8.091 9.319 1.00 0.00 H new ATOM 230 N GLY A 19 -4.793 10.268 7.647 1.00 0.00 N ATOM 231 CA GLY A 19 -4.116 11.389 8.272 1.00 0.00 C ATOM 232 C GLY A 19 -2.667 11.504 7.842 1.00 0.00 C ATOM 233 O GLY A 19 -1.760 11.104 8.574 1.00 0.00 O ATOM 0 H GLY A 19 -4.197 9.676 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.640 12.311 8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.163 11.279 9.355 1.00 0.00 H new ATOM 237 N LEU A 20 -2.446 12.051 6.652 1.00 0.00 N ATOM 238 CA LEU A 20 -1.097 12.217 6.124 1.00 0.00 C ATOM 239 C LEU A 20 -0.304 13.217 6.960 1.00 0.00 C ATOM 240 O LEU A 20 -0.850 13.870 7.850 1.00 0.00 O ATOM 241 CB LEU A 20 -1.151 12.681 4.668 1.00 0.00 C ATOM 242 CG LEU A 20 -1.178 14.194 4.447 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.313 14.515 2.966 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.313 14.828 5.237 1.00 0.00 C ATOM 0 H LEU A 20 -3.185 12.387 6.034 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.593 11.251 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.286 12.273 4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.037 12.250 4.203 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.236 14.611 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.331 15.596 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.466 14.094 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.239 14.085 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.317 15.905 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.264 14.406 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.173 14.628 6.299 1.00 0.00 H new ATOM 256 N THR A 21 0.988 13.333 6.667 1.00 0.00 N ATOM 257 CA THR A 21 1.856 14.254 7.390 1.00 0.00 C ATOM 258 C THR A 21 2.925 14.837 6.472 1.00 0.00 C ATOM 259 O THR A 21 3.279 14.239 5.455 1.00 0.00 O ATOM 260 CB THR A 21 2.542 13.560 8.582 1.00 0.00 C ATOM 261 OG1 THR A 21 1.668 12.575 9.144 1.00 0.00 O ATOM 262 CG2 THR A 21 2.925 14.573 9.650 1.00 0.00 C ATOM 0 H THR A 21 1.456 12.800 5.934 1.00 0.00 H new ATOM 0 HA THR A 21 1.223 15.059 7.763 1.00 0.00 H new ATOM 0 HB THR A 21 3.449 13.076 8.220 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.200 11.869 9.566 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.408 14.060 10.482 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.613 15.305 9.227 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.029 15.081 10.008 1.00 0.00 H new ATOM 270 N THR A 22 3.437 16.008 6.837 1.00 0.00 N ATOM 271 CA THR A 22 4.465 16.672 6.047 1.00 0.00 C ATOM 272 C THR A 22 5.577 15.702 5.664 1.00 0.00 C ATOM 273 O THR A 22 6.022 15.674 4.517 1.00 0.00 O ATOM 274 CB THR A 22 5.078 17.862 6.809 1.00 0.00 C ATOM 275 OG1 THR A 22 5.601 17.422 8.067 1.00 0.00 O ATOM 276 CG2 THR A 22 4.040 18.950 7.038 1.00 0.00 C ATOM 0 H THR A 22 3.156 16.516 7.676 1.00 0.00 H new ATOM 0 HA THR A 22 3.980 17.040 5.143 1.00 0.00 H new ATOM 0 HB THR A 22 5.886 18.274 6.205 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.990 18.184 8.544 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.496 19.780 7.578 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.666 19.304 6.077 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.213 18.547 7.623 1.00 0.00 H new ATOM 284 N SER A 23 6.021 14.906 6.632 1.00 0.00 N ATOM 285 CA SER A 23 7.084 13.936 6.397 1.00 0.00 C ATOM 286 C SER A 23 6.517 12.522 6.302 1.00 0.00 C ATOM 287 O SER A 23 6.909 11.740 5.436 1.00 0.00 O ATOM 288 CB SER A 23 8.125 14.006 7.515 1.00 0.00 C ATOM 289 OG SER A 23 8.665 15.312 7.628 1.00 0.00 O ATOM 0 H SER A 23 5.661 14.914 7.586 1.00 0.00 H new ATOM 0 HA SER A 23 7.563 14.182 5.449 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.668 13.715 8.461 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.926 13.294 7.316 1.00 0.00 H new ATOM 0 HG SER A 23 9.327 15.331 8.351 1.00 0.00 H new ATOM 295 N THR A 24 5.591 12.201 7.200 1.00 0.00 N ATOM 296 CA THR A 24 4.970 10.883 7.220 1.00 0.00 C ATOM 297 C THR A 24 3.599 10.911 6.555 1.00 0.00 C ATOM 298 O THR A 24 3.020 11.977 6.344 1.00 0.00 O ATOM 299 CB THR A 24 4.820 10.354 8.659 1.00 0.00 C ATOM 300 OG1 THR A 24 3.782 11.069 9.338 1.00 0.00 O ATOM 301 CG2 THR A 24 6.126 10.496 9.426 1.00 0.00 C ATOM 0 H THR A 24 5.255 12.837 7.923 1.00 0.00 H new ATOM 0 HA THR A 24 5.627 10.216 6.663 1.00 0.00 H new ATOM 0 HB THR A 24 4.559 9.297 8.609 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.692 10.726 10.251 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.996 10.116 10.439 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.907 9.927 8.922 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.412 11.547 9.467 1.00 0.00 H new ATOM 309 N THR A 25 3.081 9.731 6.227 1.00 0.00 N ATOM 310 CA THR A 25 1.777 9.620 5.586 1.00 0.00 C ATOM 311 C THR A 25 1.021 8.394 6.085 1.00 0.00 C ATOM 312 O THR A 25 1.438 7.260 5.850 1.00 0.00 O ATOM 313 CB THR A 25 1.909 9.539 4.054 1.00 0.00 C ATOM 314 OG1 THR A 25 2.084 10.851 3.507 1.00 0.00 O ATOM 315 CG2 THR A 25 0.681 8.887 3.438 1.00 0.00 C ATOM 0 H THR A 25 3.545 8.839 6.395 1.00 0.00 H new ATOM 0 HA THR A 25 1.219 10.519 5.848 1.00 0.00 H new ATOM 0 HB THR A 25 2.781 8.928 3.819 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.169 10.791 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.798 8.841 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.568 7.878 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.204 9.474 3.683 1.00 0.00 H new ATOM 323 N GLU A 26 -0.091 8.629 6.773 1.00 0.00 N ATOM 324 CA GLU A 26 -0.904 7.541 7.305 1.00 0.00 C ATOM 325 C GLU A 26 -1.691 6.856 6.192 1.00 0.00 C ATOM 326 O GLU A 26 -1.854 7.406 5.101 1.00 0.00 O ATOM 327 CB GLU A 26 -1.864 8.068 8.374 1.00 0.00 C ATOM 328 CG GLU A 26 -1.192 8.362 9.704 1.00 0.00 C ATOM 329 CD GLU A 26 -2.172 8.378 10.862 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.198 7.672 10.781 1.00 0.00 O ATOM 331 OE2 GLU A 26 -1.911 9.097 11.849 1.00 0.00 O ATOM 0 H GLU A 26 -0.450 9.562 6.975 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.235 6.809 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.338 8.978 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.657 7.336 8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.424 7.611 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.687 9.326 9.647 1.00 0.00 H new ATOM 338 N LEU A 27 -2.178 5.652 6.474 1.00 0.00 N ATOM 339 CA LEU A 27 -2.948 4.890 5.497 1.00 0.00 C ATOM 340 C LEU A 27 -4.064 4.104 6.177 1.00 0.00 C ATOM 341 O LEU A 27 -4.019 3.860 7.382 1.00 0.00 O ATOM 342 CB LEU A 27 -2.032 3.936 4.728 1.00 0.00 C ATOM 343 CG LEU A 27 -0.840 4.578 4.016 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.025 3.513 3.360 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.317 5.591 2.986 1.00 0.00 C ATOM 0 H LEU A 27 -2.053 5.183 7.371 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.399 5.594 4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.654 3.187 5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.631 3.408 3.986 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.236 5.101 4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.868 3.987 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.395 2.826 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.568 2.961 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.456 6.038 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.943 5.091 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.894 6.371 3.483 1.00 0.00 H new ATOM 357 N ALA A 28 -5.063 3.709 5.395 1.00 0.00 N ATOM 358 CA ALA A 28 -6.189 2.946 5.921 1.00 0.00 C ATOM 359 C ALA A 28 -6.990 2.303 4.795 1.00 0.00 C ATOM 360 O ALA A 28 -7.674 2.990 4.036 1.00 0.00 O ATOM 361 CB ALA A 28 -7.085 3.841 6.764 1.00 0.00 C ATOM 0 H ALA A 28 -5.116 3.904 4.395 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.793 2.149 6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.921 3.258 7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.512 4.249 7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.465 4.658 6.150 1.00 0.00 H new ATOM 367 N TRP A 29 -6.901 0.982 4.691 1.00 0.00 N ATOM 368 CA TRP A 29 -7.618 0.246 3.656 1.00 0.00 C ATOM 369 C TRP A 29 -8.367 -0.941 4.251 1.00 0.00 C ATOM 370 O TRP A 29 -8.271 -1.210 5.449 1.00 0.00 O ATOM 371 CB TRP A 29 -6.645 -0.237 2.578 1.00 0.00 C ATOM 372 CG TRP A 29 -5.613 -1.193 3.095 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.700 -2.556 3.124 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.340 -0.858 3.658 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.558 -3.088 3.672 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.708 -2.067 4.006 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.672 0.346 3.899 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.441 -2.105 4.584 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.416 0.306 4.473 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.811 -0.912 4.810 1.00 0.00 C ATOM 0 H TRP A 29 -6.339 0.398 5.311 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.345 0.920 3.204 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.209 -0.719 1.779 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.143 0.625 2.139 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.542 -3.131 2.768 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.373 -4.082 3.808 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.129 1.290 3.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.973 -3.043 4.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.891 1.230 4.665 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.828 -0.909 5.257 1.00 0.00 H new ATOM 391 N ASP A 30 -9.111 -1.648 3.408 1.00 0.00 N ATOM 392 CA ASP A 30 -9.876 -2.808 3.852 1.00 0.00 C ATOM 393 C ASP A 30 -9.453 -4.061 3.092 1.00 0.00 C ATOM 394 O ASP A 30 -8.826 -3.993 2.034 1.00 0.00 O ATOM 395 CB ASP A 30 -11.373 -2.562 3.660 1.00 0.00 C ATOM 396 CG ASP A 30 -12.024 -1.963 4.892 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.777 -2.479 6.003 1.00 0.00 O ATOM 398 OD2 ASP A 30 -12.780 -0.980 4.746 1.00 0.00 O ATOM 0 H ASP A 30 -9.201 -1.439 2.414 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.674 -2.962 4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.523 -1.894 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.864 -3.503 3.414 1.00 0.00 H new ATOM 403 N PRO A 31 -9.801 -5.233 3.642 1.00 0.00 N ATOM 404 CA PRO A 31 -9.467 -6.524 3.033 1.00 0.00 C ATOM 405 C PRO A 31 -10.252 -6.781 1.751 1.00 0.00 C ATOM 406 O PRO A 31 -11.314 -6.203 1.519 1.00 0.00 O ATOM 407 CB PRO A 31 -9.858 -7.537 4.111 1.00 0.00 C ATOM 408 CG PRO A 31 -10.908 -6.849 4.914 1.00 0.00 C ATOM 409 CD PRO A 31 -10.549 -5.389 4.901 1.00 0.00 C ATOM 0 HA PRO A 31 -8.419 -6.577 2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.238 -8.458 3.669 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.002 -7.809 4.728 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.897 -7.012 4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.936 -7.235 5.933 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.437 -4.757 4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.943 -5.116 5.765 1.00 0.00 H new ATOM 417 N PRO A 32 -9.719 -7.668 0.897 1.00 0.00 N ATOM 418 CA PRO A 32 -10.355 -8.022 -0.375 1.00 0.00 C ATOM 419 C PRO A 32 -11.633 -8.830 -0.180 1.00 0.00 C ATOM 420 O PRO A 32 -11.631 -9.862 0.491 1.00 0.00 O ATOM 421 CB PRO A 32 -9.291 -8.867 -1.080 1.00 0.00 C ATOM 422 CG PRO A 32 -8.465 -9.434 0.023 1.00 0.00 C ATOM 423 CD PRO A 32 -8.456 -8.394 1.109 1.00 0.00 C ATOM 0 HA PRO A 32 -10.660 -7.139 -0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.745 -9.656 -1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.687 -8.261 -1.755 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.887 -10.372 0.384 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.453 -9.650 -0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.415 -8.848 2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.594 -7.733 1.025 1.00 0.00 H new ATOM 431 N VAL A 33 -12.725 -8.354 -0.770 1.00 0.00 N ATOM 432 CA VAL A 33 -14.011 -9.033 -0.662 1.00 0.00 C ATOM 433 C VAL A 33 -13.872 -10.522 -0.958 1.00 0.00 C ATOM 434 O VAL A 33 -13.226 -10.916 -1.930 1.00 0.00 O ATOM 435 CB VAL A 33 -15.049 -8.424 -1.623 1.00 0.00 C ATOM 436 CG1 VAL A 33 -15.381 -6.997 -1.216 1.00 0.00 C ATOM 437 CG2 VAL A 33 -14.542 -8.475 -3.056 1.00 0.00 C ATOM 0 H VAL A 33 -12.745 -7.500 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.355 -8.900 0.364 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.963 -9.014 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -16.116 -6.583 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.790 -6.993 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.476 -6.391 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.288 -8.041 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.613 -7.910 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -14.361 -9.511 -3.341 1.00 0.00 H new ATOM 447 N LEU A 34 -14.483 -11.346 -0.114 1.00 0.00 N ATOM 448 CA LEU A 34 -14.428 -12.794 -0.285 1.00 0.00 C ATOM 449 C LEU A 34 -14.612 -13.177 -1.750 1.00 0.00 C ATOM 450 O LEU A 34 -14.179 -14.245 -2.181 1.00 0.00 O ATOM 451 CB LEU A 34 -15.504 -13.469 0.569 1.00 0.00 C ATOM 452 CG LEU A 34 -16.929 -13.415 0.019 1.00 0.00 C ATOM 453 CD1 LEU A 34 -17.724 -14.628 0.476 1.00 0.00 C ATOM 454 CD2 LEU A 34 -17.619 -12.129 0.451 1.00 0.00 C ATOM 0 H LEU A 34 -15.022 -11.037 0.695 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.446 -13.136 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.228 -14.515 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.499 -13.007 1.556 1.00 0.00 H new ATOM 0 HG LEU A 34 -16.878 -13.429 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.736 -14.572 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.241 -15.536 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.766 -14.646 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.632 -12.108 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.658 -12.085 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.061 -11.272 0.073 1.00 0.00 H new ATOM 466 N ALA A 35 -15.254 -12.296 -2.510 1.00 0.00 N ATOM 467 CA ALA A 35 -15.490 -12.540 -3.928 1.00 0.00 C ATOM 468 C ALA A 35 -14.197 -12.428 -4.727 1.00 0.00 C ATOM 469 O ALA A 35 -13.889 -13.290 -5.550 1.00 0.00 O ATOM 470 CB ALA A 35 -16.531 -11.568 -4.464 1.00 0.00 C ATOM 0 H ALA A 35 -15.620 -11.407 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.867 -13.557 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -16.698 -11.761 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.466 -11.700 -3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -16.176 -10.546 -4.333 1.00 0.00 H new ATOM 476 N GLU A 36 -13.445 -11.360 -4.481 1.00 0.00 N ATOM 477 CA GLU A 36 -12.185 -11.135 -5.180 1.00 0.00 C ATOM 478 C GLU A 36 -11.107 -12.091 -4.679 1.00 0.00 C ATOM 479 O GLU A 36 -10.600 -12.922 -5.432 1.00 0.00 O ATOM 480 CB GLU A 36 -11.725 -9.687 -4.996 1.00 0.00 C ATOM 481 CG GLU A 36 -12.554 -8.681 -5.777 1.00 0.00 C ATOM 482 CD GLU A 36 -12.262 -7.248 -5.375 1.00 0.00 C ATOM 483 OE1 GLU A 36 -11.089 -6.831 -5.478 1.00 0.00 O ATOM 484 OE2 GLU A 36 -13.205 -6.545 -4.958 1.00 0.00 O ATOM 0 H GLU A 36 -13.686 -10.637 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.349 -11.324 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.765 -9.434 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.683 -9.604 -5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.358 -8.803 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.613 -8.890 -5.622 1.00 0.00 H new ATOM 491 N ARG A 37 -10.760 -11.965 -3.402 1.00 0.00 N ATOM 492 CA ARG A 37 -9.741 -12.816 -2.800 1.00 0.00 C ATOM 493 C ARG A 37 -9.942 -14.274 -3.202 1.00 0.00 C ATOM 494 O ARG A 37 -10.972 -14.635 -3.770 1.00 0.00 O ATOM 495 CB ARG A 37 -9.774 -12.687 -1.276 1.00 0.00 C ATOM 496 CG ARG A 37 -11.152 -12.913 -0.675 1.00 0.00 C ATOM 497 CD ARG A 37 -11.369 -14.375 -0.314 1.00 0.00 C ATOM 498 NE ARG A 37 -11.965 -15.127 -1.415 1.00 0.00 N ATOM 499 CZ ARG A 37 -12.441 -16.361 -1.288 1.00 0.00 C ATOM 500 NH1 ARG A 37 -12.392 -16.977 -0.116 1.00 0.00 N ATOM 501 NH2 ARG A 37 -12.969 -16.980 -2.337 1.00 0.00 N ATOM 0 H ARG A 37 -11.170 -11.282 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.768 -12.488 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.076 -13.405 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.423 -11.694 -0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.267 -12.296 0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.916 -12.595 -1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.415 -14.827 -0.041 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.015 -14.440 0.561 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.019 -14.681 -2.331 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.988 -16.504 0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.758 -17.924 -0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.009 -16.508 -3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.334 -17.927 -2.240 1.00 0.00 H new ATOM 515 N ASN A 38 -8.951 -15.107 -2.904 1.00 0.00 N ATOM 516 CA ASN A 38 -9.019 -16.526 -3.235 1.00 0.00 C ATOM 517 C ASN A 38 -9.124 -17.375 -1.972 1.00 0.00 C ATOM 518 O ASN A 38 -10.038 -18.187 -1.832 1.00 0.00 O ATOM 519 CB ASN A 38 -7.787 -16.942 -4.042 1.00 0.00 C ATOM 520 CG ASN A 38 -7.971 -16.726 -5.531 1.00 0.00 C ATOM 521 OD1 ASN A 38 -8.961 -17.166 -6.116 1.00 0.00 O ATOM 522 ND2 ASN A 38 -7.015 -16.046 -6.153 1.00 0.00 N ATOM 0 H ASN A 38 -8.091 -14.824 -2.434 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.912 -16.691 -3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.923 -16.373 -3.699 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.571 -17.994 -3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.084 -15.870 -7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.212 -15.700 -5.628 1.00 0.00 H new ATOM 529 N GLY A 39 -8.182 -17.182 -1.055 1.00 0.00 N ATOM 530 CA GLY A 39 -8.187 -17.936 0.185 1.00 0.00 C ATOM 531 C GLY A 39 -8.222 -17.042 1.408 1.00 0.00 C ATOM 532 O GLY A 39 -9.241 -16.417 1.699 1.00 0.00 O ATOM 0 H GLY A 39 -7.415 -16.516 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.052 -18.600 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.300 -18.568 0.226 1.00 0.00 H new ATOM 536 N ARG A 40 -7.105 -16.982 2.127 1.00 0.00 N ATOM 537 CA ARG A 40 -7.013 -16.159 3.327 1.00 0.00 C ATOM 538 C ARG A 40 -5.860 -15.166 3.219 1.00 0.00 C ATOM 539 O ARG A 40 -4.911 -15.382 2.464 1.00 0.00 O ATOM 540 CB ARG A 40 -6.826 -17.042 4.563 1.00 0.00 C ATOM 541 CG ARG A 40 -8.084 -17.789 4.973 1.00 0.00 C ATOM 542 CD ARG A 40 -7.823 -18.716 6.150 1.00 0.00 C ATOM 543 NE ARG A 40 -7.889 -18.012 7.427 1.00 0.00 N ATOM 544 CZ ARG A 40 -9.025 -17.625 7.995 1.00 0.00 C ATOM 545 NH1 ARG A 40 -10.185 -17.873 7.402 1.00 0.00 N ATOM 546 NH2 ARG A 40 -9.004 -16.988 9.159 1.00 0.00 N ATOM 0 H ARG A 40 -6.252 -17.493 1.899 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.943 -15.599 3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.033 -17.763 4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.494 -16.422 5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.863 -17.074 5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.456 -18.368 4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.554 -19.524 6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.840 -19.174 6.039 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.014 -17.806 7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.206 -18.362 6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.056 -17.575 7.841 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.114 -16.795 9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.878 -16.691 9.594 1.00 0.00 H new ATOM 560 N ILE A 41 -5.949 -14.079 3.977 1.00 0.00 N ATOM 561 CA ILE A 41 -4.912 -13.054 3.967 1.00 0.00 C ATOM 562 C ILE A 41 -4.042 -13.139 5.216 1.00 0.00 C ATOM 563 O ILE A 41 -4.550 -13.270 6.330 1.00 0.00 O ATOM 564 CB ILE A 41 -5.519 -11.642 3.872 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.698 -11.634 2.897 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.459 -10.639 3.439 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.317 -12.020 1.485 1.00 0.00 C ATOM 0 H ILE A 41 -6.728 -13.885 4.606 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.296 -13.236 3.086 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.885 -11.352 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.463 -12.321 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.143 -10.639 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.902 -9.645 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.648 -10.629 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.066 -10.923 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.202 -11.993 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.574 -11.319 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.900 -13.027 1.483 1.00 0.00 H new ATOM 579 N ILE A 42 -2.730 -13.061 5.023 1.00 0.00 N ATOM 580 CA ILE A 42 -1.790 -13.125 6.135 1.00 0.00 C ATOM 581 C ILE A 42 -1.172 -11.759 6.413 1.00 0.00 C ATOM 582 O ILE A 42 -0.975 -11.378 7.567 1.00 0.00 O ATOM 583 CB ILE A 42 -0.664 -14.140 5.862 1.00 0.00 C ATOM 584 CG1 ILE A 42 -0.036 -13.881 4.491 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.200 -15.561 5.946 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.102 -14.820 4.160 1.00 0.00 C ATOM 0 H ILE A 42 -2.294 -12.953 4.107 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.356 -13.449 7.008 1.00 0.00 H new ATOM 0 HB ILE A 42 0.107 -14.019 6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.806 -13.972 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.329 -12.854 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.392 -16.267 5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.604 -15.739 6.942 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.988 -15.697 5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.499 -14.578 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.891 -14.713 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.738 -15.848 4.162 1.00 0.00 H new ATOM 598 N SER A 43 -0.869 -11.025 5.347 1.00 0.00 N ATOM 599 CA SER A 43 -0.272 -9.701 5.475 1.00 0.00 C ATOM 600 C SER A 43 -0.372 -8.930 4.162 1.00 0.00 C ATOM 601 O SER A 43 -0.870 -9.448 3.162 1.00 0.00 O ATOM 602 CB SER A 43 1.193 -9.819 5.900 1.00 0.00 C ATOM 603 OG SER A 43 1.326 -10.633 7.053 1.00 0.00 O ATOM 0 H SER A 43 -1.027 -11.325 4.385 1.00 0.00 H new ATOM 0 HA SER A 43 -0.823 -9.153 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.779 -10.241 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.597 -8.827 6.103 1.00 0.00 H new ATOM 0 HG SER A 43 0.501 -10.590 7.581 1.00 0.00 H new ATOM 609 N TYR A 44 0.106 -7.691 4.173 1.00 0.00 N ATOM 610 CA TYR A 44 0.069 -6.847 2.985 1.00 0.00 C ATOM 611 C TYR A 44 1.402 -6.133 2.782 1.00 0.00 C ATOM 612 O TYR A 44 2.276 -6.165 3.649 1.00 0.00 O ATOM 613 CB TYR A 44 -1.060 -5.820 3.098 1.00 0.00 C ATOM 614 CG TYR A 44 -2.433 -6.441 3.226 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.791 -7.154 4.363 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.372 -6.314 2.209 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.044 -7.724 4.483 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.627 -6.879 2.322 1.00 0.00 C ATOM 619 CZ TYR A 44 -4.958 -7.583 3.460 1.00 0.00 C ATOM 620 OH TYR A 44 -6.208 -8.148 3.577 1.00 0.00 O ATOM 0 H TYR A 44 0.524 -7.249 4.992 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.115 -7.487 2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.876 -5.184 3.964 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.043 -5.175 2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.078 -7.265 5.167 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.116 -5.764 1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.306 -8.277 5.373 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.345 -6.770 1.523 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.820 -7.506 3.994 1.00 0.00 H new ATOM 630 N THR A 45 1.550 -5.488 1.629 1.00 0.00 N ATOM 631 CA THR A 45 2.776 -4.767 1.310 1.00 0.00 C ATOM 632 C THR A 45 2.469 -3.378 0.762 1.00 0.00 C ATOM 633 O THR A 45 2.015 -3.233 -0.374 1.00 0.00 O ATOM 634 CB THR A 45 3.628 -5.535 0.282 1.00 0.00 C ATOM 635 OG1 THR A 45 3.905 -6.854 0.764 1.00 0.00 O ATOM 636 CG2 THR A 45 4.935 -4.804 0.009 1.00 0.00 C ATOM 0 H THR A 45 0.836 -5.450 0.901 1.00 0.00 H new ATOM 0 HA THR A 45 3.339 -4.673 2.239 1.00 0.00 H new ATOM 0 HB THR A 45 3.065 -5.600 -0.649 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.068 -7.360 0.832 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.520 -5.365 -0.720 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.721 -3.810 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.501 -4.713 0.936 1.00 0.00 H new ATOM 644 N VAL A 46 2.720 -2.357 1.576 1.00 0.00 N ATOM 645 CA VAL A 46 2.472 -0.978 1.171 1.00 0.00 C ATOM 646 C VAL A 46 3.658 -0.409 0.401 1.00 0.00 C ATOM 647 O VAL A 46 4.659 -0.003 0.992 1.00 0.00 O ATOM 648 CB VAL A 46 2.186 -0.079 2.389 1.00 0.00 C ATOM 649 CG1 VAL A 46 1.980 1.363 1.951 1.00 0.00 C ATOM 650 CG2 VAL A 46 0.975 -0.590 3.155 1.00 0.00 C ATOM 0 H VAL A 46 3.095 -2.459 2.519 1.00 0.00 H new ATOM 0 HA VAL A 46 1.595 -0.991 0.524 1.00 0.00 H new ATOM 0 HB VAL A 46 3.049 -0.112 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.779 1.983 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.878 1.723 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.135 1.418 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.787 0.057 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.103 -0.588 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.166 -1.606 3.502 1.00 0.00 H new ATOM 660 N VAL A 47 3.540 -0.383 -0.923 1.00 0.00 N ATOM 661 CA VAL A 47 4.602 0.138 -1.775 1.00 0.00 C ATOM 662 C VAL A 47 4.397 1.620 -2.065 1.00 0.00 C ATOM 663 O VAL A 47 3.436 2.007 -2.730 1.00 0.00 O ATOM 664 CB VAL A 47 4.678 -0.629 -3.109 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.746 -0.029 -4.010 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.946 -2.105 -2.860 1.00 0.00 C ATOM 0 H VAL A 47 2.719 -0.717 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 47 5.538 0.003 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 47 3.717 -0.538 -3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.785 -0.584 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.505 1.014 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.715 -0.086 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.997 -2.631 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.893 -2.219 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.141 -2.524 -2.256 1.00 0.00 H new ATOM 676 N PHE A 48 5.307 2.447 -1.561 1.00 0.00 N ATOM 677 CA PHE A 48 5.227 3.889 -1.765 1.00 0.00 C ATOM 678 C PHE A 48 6.442 4.398 -2.534 1.00 0.00 C ATOM 679 O PHE A 48 7.568 3.960 -2.298 1.00 0.00 O ATOM 680 CB PHE A 48 5.122 4.611 -0.420 1.00 0.00 C ATOM 681 CG PHE A 48 6.281 4.341 0.497 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.427 3.105 1.105 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.224 5.324 0.751 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.493 2.855 1.950 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.291 5.080 1.594 1.00 0.00 C ATOM 686 CZ PHE A 48 8.426 3.843 2.193 1.00 0.00 C ATOM 0 H PHE A 48 6.109 2.143 -1.008 1.00 0.00 H new ATOM 0 HA PHE A 48 4.333 4.098 -2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.051 5.684 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.199 4.308 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.701 2.328 0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.124 6.293 0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.595 1.888 2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.018 5.855 1.784 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.260 3.649 2.851 1.00 0.00 H new ATOM 696 N ARG A 49 6.205 5.325 -3.456 1.00 0.00 N ATOM 697 CA ARG A 49 7.279 5.893 -4.262 1.00 0.00 C ATOM 698 C ARG A 49 6.901 7.282 -4.771 1.00 0.00 C ATOM 699 O ARG A 49 5.734 7.555 -5.049 1.00 0.00 O ATOM 700 CB ARG A 49 7.599 4.976 -5.444 1.00 0.00 C ATOM 701 CG ARG A 49 8.461 5.633 -6.509 1.00 0.00 C ATOM 702 CD ARG A 49 8.705 4.697 -7.683 1.00 0.00 C ATOM 703 NE ARG A 49 7.463 4.328 -8.357 1.00 0.00 N ATOM 704 CZ ARG A 49 7.417 3.802 -9.576 1.00 0.00 C ATOM 705 NH1 ARG A 49 8.537 3.583 -10.250 1.00 0.00 N ATOM 706 NH2 ARG A 49 6.248 3.492 -10.122 1.00 0.00 N ATOM 0 H ARG A 49 5.279 5.699 -3.664 1.00 0.00 H new ATOM 0 HA ARG A 49 8.163 5.983 -3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.108 4.086 -5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.666 4.644 -5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.975 6.542 -6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.415 5.930 -6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.375 5.177 -8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.207 3.796 -7.330 1.00 0.00 H new ATOM 0 HE ARG A 49 6.583 4.483 -7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.438 3.818 -9.833 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.498 3.179 -11.186 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.384 3.658 -9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.213 3.088 -11.058 1.00 0.00 H new ATOM 720 N ASP A 50 7.897 8.153 -4.889 1.00 0.00 N ATOM 721 CA ASP A 50 7.669 9.513 -5.364 1.00 0.00 C ATOM 722 C ASP A 50 7.519 9.541 -6.882 1.00 0.00 C ATOM 723 O ASP A 50 8.457 9.222 -7.614 1.00 0.00 O ATOM 724 CB ASP A 50 8.821 10.425 -4.936 1.00 0.00 C ATOM 725 CG ASP A 50 9.291 10.140 -3.524 1.00 0.00 C ATOM 726 OD1 ASP A 50 9.471 8.951 -3.187 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.477 11.105 -2.754 1.00 0.00 O ATOM 0 H ASP A 50 8.869 7.942 -4.663 1.00 0.00 H new ATOM 0 HA ASP A 50 6.743 9.876 -4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.656 10.299 -5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.503 11.465 -5.007 1.00 0.00 H new ATOM 732 N ILE A 51 6.335 9.922 -7.347 1.00 0.00 N ATOM 733 CA ILE A 51 6.062 9.990 -8.778 1.00 0.00 C ATOM 734 C ILE A 51 6.929 11.049 -9.452 1.00 0.00 C ATOM 735 O ILE A 51 6.915 11.190 -10.674 1.00 0.00 O ATOM 736 CB ILE A 51 4.580 10.304 -9.054 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.192 11.641 -8.420 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.695 9.185 -8.527 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.927 12.238 -8.996 1.00 0.00 C ATOM 0 H ILE A 51 5.549 10.189 -6.754 1.00 0.00 H new ATOM 0 HA ILE A 51 6.300 9.010 -9.192 1.00 0.00 H new ATOM 0 HB ILE A 51 4.435 10.379 -10.132 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.062 11.501 -7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.011 12.348 -8.552 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.650 9.421 -8.729 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.958 8.250 -9.021 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.842 9.081 -7.452 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.713 13.184 -8.500 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.060 12.410 -10.064 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.096 11.550 -8.840 1.00 0.00 H new ATOM 751 N ASN A 52 7.683 11.789 -8.646 1.00 0.00 N ATOM 752 CA ASN A 52 8.558 12.834 -9.165 1.00 0.00 C ATOM 753 C ASN A 52 10.015 12.382 -9.150 1.00 0.00 C ATOM 754 O ASN A 52 10.892 13.060 -9.685 1.00 0.00 O ATOM 755 CB ASN A 52 8.401 14.115 -8.343 1.00 0.00 C ATOM 756 CG ASN A 52 6.955 14.560 -8.237 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.512 15.447 -8.967 1.00 0.00 O ATOM 758 ND2 ASN A 52 6.212 13.946 -7.324 1.00 0.00 N ATOM 0 H ASN A 52 7.706 11.685 -7.632 1.00 0.00 H new ATOM 0 HA ASN A 52 8.269 13.035 -10.197 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.803 13.953 -7.343 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.991 14.910 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.232 14.204 -7.206 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.621 13.216 -6.741 1.00 0.00 H new ATOM 765 N SER A 53 10.265 11.231 -8.533 1.00 0.00 N ATOM 766 CA SER A 53 11.616 10.690 -8.445 1.00 0.00 C ATOM 767 C SER A 53 11.624 9.197 -8.762 1.00 0.00 C ATOM 768 O SER A 53 10.578 8.600 -9.011 1.00 0.00 O ATOM 769 CB SER A 53 12.194 10.929 -7.048 1.00 0.00 C ATOM 770 OG SER A 53 12.892 12.161 -6.990 1.00 0.00 O ATOM 0 H SER A 53 9.550 10.656 -8.087 1.00 0.00 H new ATOM 0 HA SER A 53 12.236 11.204 -9.180 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.389 10.928 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.867 10.113 -6.785 1.00 0.00 H new ATOM 0 HG SER A 53 13.250 12.292 -6.087 1.00 0.00 H new ATOM 776 N GLN A 54 12.813 8.603 -8.751 1.00 0.00 N ATOM 777 CA GLN A 54 12.959 7.181 -9.038 1.00 0.00 C ATOM 778 C GLN A 54 13.306 6.403 -7.773 1.00 0.00 C ATOM 779 O GLN A 54 14.046 5.421 -7.822 1.00 0.00 O ATOM 780 CB GLN A 54 14.039 6.961 -10.099 1.00 0.00 C ATOM 781 CG GLN A 54 15.362 7.632 -9.768 1.00 0.00 C ATOM 782 CD GLN A 54 16.505 7.121 -10.622 1.00 0.00 C ATOM 783 OE1 GLN A 54 16.927 7.780 -11.573 1.00 0.00 O ATOM 784 NE2 GLN A 54 17.013 5.941 -10.287 1.00 0.00 N ATOM 0 H GLN A 54 13.689 9.084 -8.547 1.00 0.00 H new ATOM 0 HA GLN A 54 12.006 6.813 -9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.204 5.891 -10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.679 7.339 -11.056 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.263 8.709 -9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.596 7.466 -8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.632 5.429 -9.491 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.784 5.546 -10.826 1.00 0.00 H new ATOM 793 N GLN A 55 12.766 6.849 -6.643 1.00 0.00 N ATOM 794 CA GLN A 55 13.021 6.194 -5.365 1.00 0.00 C ATOM 795 C GLN A 55 11.864 5.277 -4.984 1.00 0.00 C ATOM 796 O GLN A 55 10.865 5.724 -4.421 1.00 0.00 O ATOM 797 CB GLN A 55 13.243 7.237 -4.269 1.00 0.00 C ATOM 798 CG GLN A 55 13.396 6.638 -2.881 1.00 0.00 C ATOM 799 CD GLN A 55 14.530 5.635 -2.800 1.00 0.00 C ATOM 800 OE1 GLN A 55 15.652 5.978 -2.426 1.00 0.00 O ATOM 801 NE2 GLN A 55 14.243 4.387 -3.150 1.00 0.00 N ATOM 0 H GLN A 55 12.150 7.660 -6.586 1.00 0.00 H new ATOM 0 HA GLN A 55 13.922 5.589 -5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.135 7.816 -4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.403 7.932 -4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.571 7.438 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.464 6.151 -2.595 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.299 4.147 -3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.966 3.668 -3.115 1.00 0.00 H new ATOM 810 N GLU A 56 12.006 3.992 -5.295 1.00 0.00 N ATOM 811 CA GLU A 56 10.970 3.013 -4.985 1.00 0.00 C ATOM 812 C GLU A 56 11.155 2.453 -3.578 1.00 0.00 C ATOM 813 O GLU A 56 12.270 2.131 -3.167 1.00 0.00 O ATOM 814 CB GLU A 56 10.993 1.873 -6.006 1.00 0.00 C ATOM 815 CG GLU A 56 9.719 1.047 -6.024 1.00 0.00 C ATOM 816 CD GLU A 56 9.810 -0.146 -6.956 1.00 0.00 C ATOM 817 OE1 GLU A 56 10.875 -0.798 -6.983 1.00 0.00 O ATOM 818 OE2 GLU A 56 8.816 -0.428 -7.657 1.00 0.00 O ATOM 0 H GLU A 56 12.827 3.605 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 56 10.004 3.516 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.160 2.289 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.837 1.219 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.502 0.699 -5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.885 1.679 -6.329 1.00 0.00 H new ATOM 825 N LEU A 57 10.053 2.341 -2.843 1.00 0.00 N ATOM 826 CA LEU A 57 10.092 1.821 -1.481 1.00 0.00 C ATOM 827 C LEU A 57 8.779 1.131 -1.124 1.00 0.00 C ATOM 828 O LEU A 57 7.761 1.334 -1.785 1.00 0.00 O ATOM 829 CB LEU A 57 10.373 2.952 -0.490 1.00 0.00 C ATOM 830 CG LEU A 57 11.555 3.862 -0.828 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.407 5.207 -0.134 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.867 3.199 -0.436 1.00 0.00 C ATOM 0 H LEU A 57 9.122 2.603 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 57 10.895 1.086 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.477 3.568 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.548 2.513 0.492 1.00 0.00 H new ATOM 0 HG LEU A 57 11.564 4.030 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.257 5.842 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.485 5.687 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.373 5.058 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.697 3.860 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.868 3.001 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.977 2.260 -0.979 1.00 0.00 H new ATOM 844 N GLN A 58 8.810 0.318 -0.074 1.00 0.00 N ATOM 845 CA GLN A 58 7.622 -0.400 0.372 1.00 0.00 C ATOM 846 C GLN A 58 7.769 -0.850 1.822 1.00 0.00 C ATOM 847 O GLN A 58 8.869 -0.855 2.371 1.00 0.00 O ATOM 848 CB GLN A 58 7.366 -1.611 -0.527 1.00 0.00 C ATOM 849 CG GLN A 58 8.467 -2.658 -0.466 1.00 0.00 C ATOM 850 CD GLN A 58 8.620 -3.420 -1.767 1.00 0.00 C ATOM 851 OE1 GLN A 58 7.817 -4.299 -2.083 1.00 0.00 O ATOM 852 NE2 GLN A 58 9.654 -3.087 -2.531 1.00 0.00 N ATOM 0 H GLN A 58 9.645 0.140 0.484 1.00 0.00 H new ATOM 0 HA GLN A 58 6.772 0.279 0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.421 -2.072 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.256 -1.272 -1.557 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.412 -2.173 -0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.251 -3.361 0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.295 -2.352 -2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.807 -3.566 -3.419 1.00 0.00 H new ATOM 861 N ASN A 59 6.652 -1.226 2.436 1.00 0.00 N ATOM 862 CA ASN A 59 6.656 -1.676 3.823 1.00 0.00 C ATOM 863 C ASN A 59 5.762 -2.899 4.001 1.00 0.00 C ATOM 864 O ASN A 59 5.026 -3.280 3.089 1.00 0.00 O ATOM 865 CB ASN A 59 6.190 -0.550 4.748 1.00 0.00 C ATOM 866 CG ASN A 59 7.271 0.485 4.989 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.069 1.677 4.755 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.428 0.033 5.459 1.00 0.00 N ATOM 0 H ASN A 59 5.732 -1.228 1.995 1.00 0.00 H new ATOM 0 HA ASN A 59 7.677 -1.953 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.316 -0.064 4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.877 -0.974 5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.193 0.682 5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.551 -0.963 5.639 1.00 0.00 H new ATOM 875 N ILE A 60 5.829 -3.508 5.179 1.00 0.00 N ATOM 876 CA ILE A 60 5.024 -4.686 5.477 1.00 0.00 C ATOM 877 C ILE A 60 4.368 -4.571 6.848 1.00 0.00 C ATOM 878 O ILE A 60 5.003 -4.164 7.822 1.00 0.00 O ATOM 879 CB ILE A 60 5.871 -5.972 5.432 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.572 -6.100 4.078 1.00 0.00 C ATOM 881 CG2 ILE A 60 4.998 -7.190 5.700 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.467 -7.315 3.974 1.00 0.00 C ATOM 0 H ILE A 60 6.433 -3.205 5.943 1.00 0.00 H new ATOM 0 HA ILE A 60 4.251 -4.742 4.711 1.00 0.00 H new ATOM 0 HB ILE A 60 6.632 -5.916 6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.819 -6.145 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.167 -5.204 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.610 -8.091 5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.541 -7.100 6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.217 -7.252 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.931 -7.342 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.242 -7.262 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.874 -8.218 4.120 1.00 0.00 H new ATOM 894 N THR A 61 3.091 -4.934 6.919 1.00 0.00 N ATOM 895 CA THR A 61 2.347 -4.873 8.171 1.00 0.00 C ATOM 896 C THR A 61 1.204 -5.881 8.182 1.00 0.00 C ATOM 897 O THR A 61 0.508 -6.058 7.181 1.00 0.00 O ATOM 898 CB THR A 61 1.776 -3.463 8.417 1.00 0.00 C ATOM 899 OG1 THR A 61 1.013 -3.448 9.629 1.00 0.00 O ATOM 900 CG2 THR A 61 0.898 -3.025 7.254 1.00 0.00 C ATOM 0 H THR A 61 2.550 -5.274 6.124 1.00 0.00 H new ATOM 0 HA THR A 61 3.050 -5.117 8.968 1.00 0.00 H new ATOM 0 HB THR A 61 2.610 -2.767 8.505 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.655 -2.548 9.779 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.506 -2.027 7.450 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.488 -3.010 6.338 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.070 -3.724 7.140 1.00 0.00 H new ATOM 908 N THR A 62 1.013 -6.540 9.321 1.00 0.00 N ATOM 909 CA THR A 62 -0.046 -7.532 9.461 1.00 0.00 C ATOM 910 C THR A 62 -1.414 -6.866 9.551 1.00 0.00 C ATOM 911 O THR A 62 -2.446 -7.534 9.483 1.00 0.00 O ATOM 912 CB THR A 62 0.168 -8.409 10.709 1.00 0.00 C ATOM 913 OG1 THR A 62 0.338 -7.583 11.866 1.00 0.00 O ATOM 914 CG2 THR A 62 1.385 -9.306 10.537 1.00 0.00 C ATOM 0 H THR A 62 1.578 -6.405 10.159 1.00 0.00 H new ATOM 0 HA THR A 62 -0.009 -8.162 8.572 1.00 0.00 H new ATOM 0 HB THR A 62 -0.713 -9.038 10.839 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.472 -8.149 12.655 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.516 -9.916 11.431 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.240 -9.954 9.673 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.272 -8.691 10.384 1.00 0.00 H new ATOM 922 N ASP A 63 -1.416 -5.546 9.705 1.00 0.00 N ATOM 923 CA ASP A 63 -2.658 -4.789 9.802 1.00 0.00 C ATOM 924 C ASP A 63 -3.075 -4.250 8.437 1.00 0.00 C ATOM 925 O ASP A 63 -2.261 -4.163 7.517 1.00 0.00 O ATOM 926 CB ASP A 63 -2.501 -3.635 10.794 1.00 0.00 C ATOM 927 CG ASP A 63 -2.800 -4.053 12.220 1.00 0.00 C ATOM 928 OD1 ASP A 63 -1.934 -4.704 12.841 1.00 0.00 O ATOM 929 OD2 ASP A 63 -3.900 -3.729 12.715 1.00 0.00 O ATOM 0 H ASP A 63 -0.571 -4.978 9.765 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.437 -5.462 10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.484 -3.247 10.738 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.168 -2.822 10.509 1.00 0.00 H new ATOM 934 N THR A 64 -4.348 -3.889 8.313 1.00 0.00 N ATOM 935 CA THR A 64 -4.874 -3.360 7.060 1.00 0.00 C ATOM 936 C THR A 64 -4.576 -1.871 6.924 1.00 0.00 C ATOM 937 O THR A 64 -5.214 -1.171 6.138 1.00 0.00 O ATOM 938 CB THR A 64 -6.394 -3.580 6.952 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.983 -3.588 8.257 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.702 -4.891 6.244 1.00 0.00 C ATOM 0 H THR A 64 -5.034 -3.953 9.065 1.00 0.00 H new ATOM 0 HA THR A 64 -4.378 -3.902 6.255 1.00 0.00 H new ATOM 0 HB THR A 64 -6.816 -2.762 6.369 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.950 -3.727 8.179 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.782 -5.025 6.180 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.278 -4.871 5.240 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.267 -5.718 6.805 1.00 0.00 H new ATOM 948 N ARG A 65 -3.603 -1.394 7.693 1.00 0.00 N ATOM 949 CA ARG A 65 -3.222 0.013 7.658 1.00 0.00 C ATOM 950 C ARG A 65 -1.710 0.170 7.796 1.00 0.00 C ATOM 951 O ARG A 65 -1.010 -0.770 8.176 1.00 0.00 O ATOM 952 CB ARG A 65 -3.929 0.783 8.774 1.00 0.00 C ATOM 953 CG ARG A 65 -3.491 0.373 10.170 1.00 0.00 C ATOM 954 CD ARG A 65 -2.253 1.137 10.613 1.00 0.00 C ATOM 955 NE ARG A 65 -2.054 1.067 12.058 1.00 0.00 N ATOM 956 CZ ARG A 65 -2.775 1.759 12.933 1.00 0.00 C ATOM 957 NH1 ARG A 65 -3.738 2.567 12.512 1.00 0.00 N ATOM 958 NH2 ARG A 65 -2.534 1.642 14.233 1.00 0.00 N ATOM 0 H ARG A 65 -3.064 -1.961 8.348 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.527 0.422 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.743 1.849 8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.005 0.634 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.303 0.554 10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.285 -0.697 10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.377 0.732 10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.343 2.180 10.310 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.322 0.453 12.415 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.927 2.659 11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.290 3.097 13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.795 1.020 14.561 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.088 2.174 14.904 1.00 0.00 H new ATOM 972 N PHE A 66 -1.214 1.362 7.486 1.00 0.00 N ATOM 973 CA PHE A 66 0.215 1.642 7.574 1.00 0.00 C ATOM 974 C PHE A 66 0.479 3.144 7.517 1.00 0.00 C ATOM 975 O PHE A 66 -0.366 3.919 7.069 1.00 0.00 O ATOM 976 CB PHE A 66 0.965 0.938 6.442 1.00 0.00 C ATOM 977 CG PHE A 66 2.456 0.939 6.619 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.086 -0.085 7.309 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.229 1.963 6.096 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.458 -0.087 7.474 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.601 1.966 6.258 1.00 0.00 C ATOM 982 CZ PHE A 66 5.217 0.940 6.948 1.00 0.00 C ATOM 0 H PHE A 66 -1.780 2.150 7.171 1.00 0.00 H new ATOM 0 HA PHE A 66 0.576 1.263 8.530 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.616 -0.092 6.372 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.719 1.423 5.497 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.498 -0.891 7.723 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.754 2.768 5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.936 -0.891 8.014 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.192 2.770 5.845 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.289 0.941 7.076 1.00 0.00 H new ATOM 992 N THR A 67 1.660 3.549 7.975 1.00 0.00 N ATOM 993 CA THR A 67 2.036 4.957 7.979 1.00 0.00 C ATOM 994 C THR A 67 3.454 5.148 7.451 1.00 0.00 C ATOM 995 O THR A 67 4.426 4.755 8.096 1.00 0.00 O ATOM 996 CB THR A 67 1.942 5.560 9.393 1.00 0.00 C ATOM 997 OG1 THR A 67 0.595 5.477 9.872 1.00 0.00 O ATOM 998 CG2 THR A 67 2.397 7.012 9.394 1.00 0.00 C ATOM 0 H THR A 67 2.372 2.921 8.348 1.00 0.00 H new ATOM 0 HA THR A 67 1.334 5.474 7.325 1.00 0.00 H new ATOM 0 HB THR A 67 2.598 4.990 10.051 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.530 5.918 10.745 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.322 7.416 10.403 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.432 7.069 9.057 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.764 7.592 8.723 1.00 0.00 H new ATOM 1006 N LEU A 68 3.564 5.755 6.274 1.00 0.00 N ATOM 1007 CA LEU A 68 4.864 6.000 5.659 1.00 0.00 C ATOM 1008 C LEU A 68 5.689 6.971 6.497 1.00 0.00 C ATOM 1009 O LEU A 68 5.197 7.541 7.471 1.00 0.00 O ATOM 1010 CB LEU A 68 4.685 6.554 4.244 1.00 0.00 C ATOM 1011 CG LEU A 68 4.147 5.572 3.202 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.551 4.149 3.551 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.633 5.688 3.093 1.00 0.00 C ATOM 0 H LEU A 68 2.769 6.086 5.727 1.00 0.00 H new ATOM 0 HA LEU A 68 5.398 5.051 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.009 7.408 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.648 6.929 3.898 1.00 0.00 H new ATOM 0 HG LEU A 68 4.582 5.823 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.159 3.465 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.638 4.076 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.146 3.885 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.267 4.982 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.180 5.463 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.366 6.702 2.795 1.00 0.00 H new ATOM 1025 N THR A 69 6.948 7.157 6.111 1.00 0.00 N ATOM 1026 CA THR A 69 7.841 8.060 6.825 1.00 0.00 C ATOM 1027 C THR A 69 9.028 8.460 5.957 1.00 0.00 C ATOM 1028 O THR A 69 9.275 7.860 4.911 1.00 0.00 O ATOM 1029 CB THR A 69 8.363 7.421 8.126 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.176 6.283 7.821 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.208 7.000 9.023 1.00 0.00 C ATOM 0 H THR A 69 7.372 6.694 5.307 1.00 0.00 H new ATOM 0 HA THR A 69 7.260 8.948 7.073 1.00 0.00 H new ATOM 0 HB THR A 69 8.961 8.163 8.655 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.505 5.884 8.653 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.601 6.551 9.935 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.608 7.874 9.277 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.587 6.273 8.500 1.00 0.00 H new ATOM 1039 N GLY A 70 9.762 9.477 6.398 1.00 0.00 N ATOM 1040 CA GLY A 70 10.916 9.939 5.648 1.00 0.00 C ATOM 1041 C GLY A 70 10.543 10.474 4.280 1.00 0.00 C ATOM 1042 O GLY A 70 11.312 10.351 3.326 1.00 0.00 O ATOM 0 H GLY A 70 9.578 9.989 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.424 10.720 6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.623 9.117 5.533 1.00 0.00 H new ATOM 1046 N LEU A 71 9.358 11.068 4.182 1.00 0.00 N ATOM 1047 CA LEU A 71 8.883 11.622 2.919 1.00 0.00 C ATOM 1048 C LEU A 71 9.042 13.139 2.896 1.00 0.00 C ATOM 1049 O LEU A 71 9.264 13.767 3.932 1.00 0.00 O ATOM 1050 CB LEU A 71 7.417 11.248 2.695 1.00 0.00 C ATOM 1051 CG LEU A 71 7.001 9.852 3.161 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.487 9.745 3.241 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.565 8.789 2.229 1.00 0.00 C ATOM 0 H LEU A 71 8.709 11.178 4.961 1.00 0.00 H new ATOM 0 HA LEU A 71 9.486 11.200 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.794 11.981 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.200 11.333 1.630 1.00 0.00 H new ATOM 0 HG LEU A 71 7.409 9.686 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.210 8.745 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.107 10.482 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.057 9.932 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.259 7.802 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.187 8.952 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.653 8.850 2.223 1.00 0.00 H new ATOM 1065 N LYS A 72 8.925 13.723 1.708 1.00 0.00 N ATOM 1066 CA LYS A 72 9.052 15.167 1.549 1.00 0.00 C ATOM 1067 C LYS A 72 7.681 15.835 1.538 1.00 0.00 C ATOM 1068 O LYS A 72 6.724 15.333 0.948 1.00 0.00 O ATOM 1069 CB LYS A 72 9.802 15.494 0.256 1.00 0.00 C ATOM 1070 CG LYS A 72 10.419 16.882 0.246 1.00 0.00 C ATOM 1071 CD LYS A 72 11.273 17.103 -0.991 1.00 0.00 C ATOM 1072 CE LYS A 72 10.457 17.682 -2.136 1.00 0.00 C ATOM 1073 NZ LYS A 72 11.308 18.018 -3.311 1.00 0.00 N ATOM 0 H LYS A 72 8.742 13.218 0.841 1.00 0.00 H new ATOM 0 HA LYS A 72 9.618 15.553 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.589 14.755 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.115 15.405 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.629 17.633 0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.029 17.017 1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.095 17.778 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.717 16.157 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.692 16.965 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.939 18.578 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.714 18.410 -4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.022 18.721 -3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.783 17.158 -3.653 1.00 0.00 H new ATOM 1087 N PRO A 73 7.582 16.996 2.202 1.00 0.00 N ATOM 1088 CA PRO A 73 6.333 17.760 2.280 1.00 0.00 C ATOM 1089 C PRO A 73 5.947 18.380 0.942 1.00 0.00 C ATOM 1090 O PRO A 73 6.806 18.841 0.190 1.00 0.00 O ATOM 1091 CB PRO A 73 6.649 18.852 3.305 1.00 0.00 C ATOM 1092 CG PRO A 73 8.128 19.016 3.240 1.00 0.00 C ATOM 1093 CD PRO A 73 8.683 17.654 2.927 1.00 0.00 C ATOM 0 HA PRO A 73 5.487 17.130 2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.136 19.783 3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.326 18.562 4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.407 19.737 2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.521 19.390 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.584 17.718 2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.949 17.110 3.833 1.00 0.00 H new ATOM 1101 N ASP A 74 4.651 18.388 0.651 1.00 0.00 N ATOM 1102 CA ASP A 74 4.152 18.953 -0.597 1.00 0.00 C ATOM 1103 C ASP A 74 4.714 18.199 -1.799 1.00 0.00 C ATOM 1104 O ASP A 74 5.190 18.805 -2.759 1.00 0.00 O ATOM 1105 CB ASP A 74 4.517 20.435 -0.693 1.00 0.00 C ATOM 1106 CG ASP A 74 4.045 21.065 -1.989 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.878 20.835 -2.370 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.842 21.789 -2.621 1.00 0.00 O ATOM 0 H ASP A 74 3.927 18.010 1.262 1.00 0.00 H new ATOM 0 HA ASP A 74 3.067 18.853 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.077 20.970 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.598 20.546 -0.611 1.00 0.00 H new ATOM 1113 N THR A 75 4.656 16.872 -1.739 1.00 0.00 N ATOM 1114 CA THR A 75 5.161 16.035 -2.820 1.00 0.00 C ATOM 1115 C THR A 75 4.306 14.785 -2.992 1.00 0.00 C ATOM 1116 O THR A 75 4.083 14.036 -2.040 1.00 0.00 O ATOM 1117 CB THR A 75 6.621 15.615 -2.569 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.497 16.723 -2.803 1.00 0.00 O ATOM 1119 CG2 THR A 75 7.012 14.454 -3.472 1.00 0.00 C ATOM 0 H THR A 75 4.264 16.354 -0.953 1.00 0.00 H new ATOM 0 HA THR A 75 5.114 16.632 -3.731 1.00 0.00 H new ATOM 0 HB THR A 75 6.711 15.295 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.966 17.528 -2.979 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.047 14.174 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.362 13.602 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.907 14.753 -4.515 1.00 0.00 H new ATOM 1127 N THR A 76 3.829 14.563 -4.213 1.00 0.00 N ATOM 1128 CA THR A 76 2.999 13.403 -4.510 1.00 0.00 C ATOM 1129 C THR A 76 3.761 12.105 -4.271 1.00 0.00 C ATOM 1130 O THR A 76 4.888 11.940 -4.738 1.00 0.00 O ATOM 1131 CB THR A 76 2.497 13.429 -5.966 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.776 14.642 -6.214 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.600 12.234 -6.251 1.00 0.00 C ATOM 0 H THR A 76 4.004 15.172 -5.012 1.00 0.00 H new ATOM 0 HA THR A 76 2.143 13.447 -3.837 1.00 0.00 H new ATOM 0 HB THR A 76 3.363 13.379 -6.626 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.462 14.652 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.258 12.274 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.159 11.312 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.739 12.258 -5.583 1.00 0.00 H new ATOM 1141 N TYR A 77 3.140 11.185 -3.541 1.00 0.00 N ATOM 1142 CA TYR A 77 3.761 9.901 -3.239 1.00 0.00 C ATOM 1143 C TYR A 77 2.860 8.746 -3.664 1.00 0.00 C ATOM 1144 O TYR A 77 1.849 8.464 -3.021 1.00 0.00 O ATOM 1145 CB TYR A 77 4.069 9.799 -1.744 1.00 0.00 C ATOM 1146 CG TYR A 77 5.418 10.365 -1.363 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.569 9.592 -1.458 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.543 11.671 -0.908 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.804 10.104 -1.111 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.774 12.192 -0.560 1.00 0.00 C ATOM 1151 CZ TYR A 77 7.902 11.405 -0.663 1.00 0.00 C ATOM 1152 OH TYR A 77 9.130 11.919 -0.316 1.00 0.00 O ATOM 0 H TYR A 77 2.207 11.305 -3.147 1.00 0.00 H new ATOM 0 HA TYR A 77 4.693 9.836 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.294 10.323 -1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.026 8.752 -1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.497 8.573 -1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.662 12.290 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.688 9.489 -1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.853 13.210 -0.209 1.00 0.00 H new ATOM 0 HH TYR A 77 9.778 11.726 -1.026 1.00 0.00 H new ATOM 1162 N ASP A 78 3.235 8.081 -4.751 1.00 0.00 N ATOM 1163 CA ASP A 78 2.463 6.955 -5.263 1.00 0.00 C ATOM 1164 C ASP A 78 2.507 5.779 -4.291 1.00 0.00 C ATOM 1165 O ASP A 78 3.461 5.001 -4.286 1.00 0.00 O ATOM 1166 CB ASP A 78 2.996 6.523 -6.629 1.00 0.00 C ATOM 1167 CG ASP A 78 2.417 5.198 -7.084 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.613 4.189 -6.375 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.766 5.169 -8.149 1.00 0.00 O ATOM 0 H ASP A 78 4.069 8.302 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 78 1.427 7.276 -5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.762 7.291 -7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.082 6.445 -6.584 1.00 0.00 H new ATOM 1174 N ILE A 79 1.469 5.658 -3.470 1.00 0.00 N ATOM 1175 CA ILE A 79 1.390 4.578 -2.494 1.00 0.00 C ATOM 1176 C ILE A 79 0.314 3.568 -2.878 1.00 0.00 C ATOM 1177 O ILE A 79 -0.801 3.941 -3.243 1.00 0.00 O ATOM 1178 CB ILE A 79 1.093 5.116 -1.082 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.034 6.274 -0.745 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.224 4.003 -0.053 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.426 7.295 0.191 1.00 0.00 C ATOM 0 H ILE A 79 0.672 6.294 -3.461 1.00 0.00 H new ATOM 0 HA ILE A 79 2.362 4.085 -2.489 1.00 0.00 H new ATOM 0 HB ILE A 79 0.068 5.487 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.942 5.874 -0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.330 6.771 -1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.011 4.399 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.517 3.207 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.238 3.605 -0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.150 8.087 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.534 7.723 -0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.155 6.812 1.130 1.00 0.00 H new ATOM 1193 N LYS A 80 0.656 2.287 -2.792 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.281 1.221 -3.127 1.00 0.00 C ATOM 1195 C LYS A 80 -0.237 0.110 -2.083 1.00 0.00 C ATOM 1196 O LYS A 80 0.497 0.198 -1.098 1.00 0.00 O ATOM 1197 CB LYS A 80 0.039 0.649 -4.510 1.00 0.00 C ATOM 1198 CG LYS A 80 1.523 0.626 -4.830 1.00 0.00 C ATOM 1199 CD LYS A 80 1.774 0.766 -6.322 1.00 0.00 C ATOM 1200 CE LYS A 80 1.557 -0.552 -7.049 1.00 0.00 C ATOM 1201 NZ LYS A 80 2.305 -0.606 -8.336 1.00 0.00 N ATOM 0 H LYS A 80 1.575 1.962 -2.493 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.285 1.644 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.354 -0.366 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.478 1.239 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.023 1.435 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.959 -0.307 -4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.108 1.524 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.794 1.112 -6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.874 -1.376 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.493 -0.690 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.117 -1.513 -8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.997 0.175 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.324 -0.517 -8.149 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.026 -0.937 -2.305 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.075 -2.066 -1.385 1.00 0.00 C ATOM 1217 C VAL A 81 -1.419 -3.358 -2.118 1.00 0.00 C ATOM 1218 O VAL A 81 -1.947 -3.331 -3.230 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.106 -1.834 -0.265 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.471 -2.363 -0.678 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.642 -2.484 1.030 1.00 0.00 C ATOM 0 H VAL A 81 -1.640 -1.026 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.083 -2.156 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.195 -0.761 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.187 -2.190 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.804 -1.846 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.401 -3.432 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.383 -2.310 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.522 -3.556 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.688 -2.052 1.332 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.118 -4.488 -1.487 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.395 -5.791 -2.080 1.00 0.00 C ATOM 1233 C ARG A 82 -1.485 -6.870 -1.005 1.00 0.00 C ATOM 1234 O ARG A 82 -0.618 -6.969 -0.137 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.309 -6.156 -3.093 1.00 0.00 C ATOM 1236 CG ARG A 82 1.065 -6.346 -2.471 1.00 0.00 C ATOM 1237 CD ARG A 82 2.056 -6.917 -3.474 1.00 0.00 C ATOM 1238 NE ARG A 82 3.418 -6.938 -2.945 1.00 0.00 N ATOM 1239 CZ ARG A 82 4.503 -6.929 -3.711 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.387 -6.899 -5.031 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.708 -6.950 -3.156 1.00 0.00 N ATOM 0 H ARG A 82 -0.682 -4.528 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.355 -5.731 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.596 -7.074 -3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.251 -5.373 -3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.433 -5.390 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.988 -7.014 -1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.756 -7.930 -3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.031 -6.323 -4.387 1.00 0.00 H new ATOM 0 HE ARG A 82 3.542 -6.961 -1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.462 -6.883 -5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.222 -6.892 -5.616 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.801 -6.973 -2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.541 -6.943 -3.745 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.541 -7.675 -1.068 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.743 -8.747 -0.101 1.00 0.00 C ATOM 1257 C ALA A 83 -1.795 -9.911 -0.366 1.00 0.00 C ATOM 1258 O ALA A 83 -1.372 -10.134 -1.500 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.188 -9.222 -0.136 1.00 0.00 C ATOM 0 H ALA A 83 -3.270 -7.605 -1.778 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.524 -8.354 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.326 -10.023 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.850 -8.392 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.425 -9.593 -1.133 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.464 -10.649 0.688 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.564 -11.791 0.569 1.00 0.00 C ATOM 1267 C TRP A 84 -1.198 -13.047 1.156 1.00 0.00 C ATOM 1268 O TRP A 84 -1.975 -12.976 2.108 1.00 0.00 O ATOM 1269 CB TRP A 84 0.762 -11.497 1.274 1.00 0.00 C ATOM 1270 CG TRP A 84 1.637 -10.544 0.518 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.407 -9.215 0.300 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.882 -10.847 -0.121 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.433 -8.675 -0.436 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.351 -9.654 -0.706 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.647 -12.009 -0.254 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.549 -9.594 -1.413 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.836 -11.947 -0.956 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.278 -10.746 -1.528 1.00 0.00 C ATOM 0 H TRP A 84 -1.805 -10.477 1.634 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.374 -11.964 -0.490 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.557 -11.085 2.262 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.301 -12.433 1.424 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.545 -8.669 0.654 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.500 -7.702 -0.733 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.315 -12.939 0.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.891 -8.670 -1.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.435 -12.839 -1.066 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.212 -10.730 -2.070 1.00 0.00 H new ATOM 1289 N THR A 85 -0.861 -14.198 0.581 1.00 0.00 N ATOM 1290 CA THR A 85 -1.399 -15.470 1.047 1.00 0.00 C ATOM 1291 C THR A 85 -0.280 -16.451 1.378 1.00 0.00 C ATOM 1292 O THR A 85 0.866 -16.262 0.969 1.00 0.00 O ATOM 1293 CB THR A 85 -2.329 -16.105 -0.003 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.661 -16.181 -1.268 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.611 -15.299 -0.149 1.00 0.00 C ATOM 0 H THR A 85 -0.219 -14.275 -0.207 1.00 0.00 H new ATOM 0 HA THR A 85 -1.973 -15.259 1.949 1.00 0.00 H new ATOM 0 HB THR A 85 -2.586 -17.110 0.333 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.701 -17.101 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.252 -15.767 -0.896 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.132 -15.268 0.808 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.369 -14.284 -0.463 1.00 0.00 H new ATOM 1303 N SER A 86 -0.620 -17.501 2.120 1.00 0.00 N ATOM 1304 CA SER A 86 0.358 -18.511 2.508 1.00 0.00 C ATOM 1305 C SER A 86 1.157 -18.987 1.299 1.00 0.00 C ATOM 1306 O SER A 86 2.292 -19.445 1.431 1.00 0.00 O ATOM 1307 CB SER A 86 -0.341 -19.699 3.172 1.00 0.00 C ATOM 1308 OG SER A 86 0.602 -20.620 3.691 1.00 0.00 O ATOM 0 H SER A 86 -1.565 -17.674 2.464 1.00 0.00 H new ATOM 0 HA SER A 86 1.047 -18.059 3.221 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.986 -19.343 3.975 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.982 -20.200 2.446 1.00 0.00 H new ATOM 0 HG SER A 86 0.130 -21.369 4.111 1.00 0.00 H new ATOM 1314 N LYS A 87 0.555 -18.875 0.119 1.00 0.00 N ATOM 1315 CA LYS A 87 1.209 -19.292 -1.116 1.00 0.00 C ATOM 1316 C LYS A 87 2.262 -18.276 -1.544 1.00 0.00 C ATOM 1317 O LYS A 87 3.444 -18.601 -1.653 1.00 0.00 O ATOM 1318 CB LYS A 87 0.174 -19.470 -2.229 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.886 -20.512 -1.914 1.00 0.00 C ATOM 1320 CD LYS A 87 -0.473 -21.891 -2.400 1.00 0.00 C ATOM 1321 CE LYS A 87 -1.684 -22.750 -2.732 1.00 0.00 C ATOM 1322 NZ LYS A 87 -1.294 -24.024 -3.397 1.00 0.00 N ATOM 0 H LYS A 87 -0.385 -18.499 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 87 1.704 -20.246 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.314 -18.513 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.687 -19.752 -3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.061 -20.541 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.828 -20.227 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.158 -21.793 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.125 -22.384 -1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.234 -22.971 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.358 -22.192 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.147 -24.581 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.791 -23.814 -4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.671 -24.568 -2.766 1.00 0.00 H new ATOM 1336 N GLY A 88 1.826 -17.043 -1.784 1.00 0.00 N ATOM 1337 CA GLY A 88 2.745 -15.998 -2.196 1.00 0.00 C ATOM 1338 C GLY A 88 2.096 -14.628 -2.211 1.00 0.00 C ATOM 1339 O GLY A 88 1.465 -14.222 -1.235 1.00 0.00 O ATOM 0 H GLY A 88 0.853 -16.749 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.601 -15.984 -1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.128 -16.226 -3.191 1.00 0.00 H new ATOM 1343 N SER A 89 2.252 -13.913 -3.320 1.00 0.00 N ATOM 1344 CA SER A 89 1.681 -12.578 -3.456 1.00 0.00 C ATOM 1345 C SER A 89 0.713 -12.518 -4.634 1.00 0.00 C ATOM 1346 O SER A 89 0.643 -13.444 -5.442 1.00 0.00 O ATOM 1347 CB SER A 89 2.791 -11.542 -3.641 1.00 0.00 C ATOM 1348 OG SER A 89 2.253 -10.268 -3.950 1.00 0.00 O ATOM 0 H SER A 89 2.769 -14.236 -4.138 1.00 0.00 H new ATOM 0 HA SER A 89 1.130 -12.351 -2.543 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.388 -11.477 -2.731 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.461 -11.861 -4.440 1.00 0.00 H new ATOM 0 HG SER A 89 2.980 -9.655 -4.187 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.032 -11.421 -4.725 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.986 -11.260 -5.806 1.00 0.00 C ATOM 1356 C GLY A 90 -0.792 -9.960 -6.562 1.00 0.00 C ATOM 1357 O GLY A 90 0.329 -9.481 -6.737 1.00 0.00 O ATOM 0 H GLY A 90 0.008 -10.641 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.891 -12.097 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.998 -11.294 -5.402 1.00 0.00 H new ATOM 1361 N PRO A 91 -1.902 -9.369 -7.027 1.00 0.00 N ATOM 1362 CA PRO A 91 -1.874 -8.110 -7.778 1.00 0.00 C ATOM 1363 C PRO A 91 -1.491 -6.922 -6.902 1.00 0.00 C ATOM 1364 O PRO A 91 -1.305 -7.064 -5.693 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.313 -7.964 -8.278 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.134 -8.738 -7.305 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.271 -9.885 -6.856 1.00 0.00 C ATOM 0 HA PRO A 91 -1.131 -8.127 -8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.617 -6.918 -8.308 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.422 -8.357 -9.289 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.427 -8.116 -6.459 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.052 -9.099 -7.769 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.471 -10.157 -5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.443 -10.777 -7.459 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.375 -5.752 -7.519 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.014 -4.538 -6.796 1.00 0.00 C ATOM 1377 C LEU A 92 -2.108 -3.482 -6.923 1.00 0.00 C ATOM 1378 O LEU A 92 -2.430 -3.038 -8.025 1.00 0.00 O ATOM 1379 CB LEU A 92 0.311 -3.982 -7.321 1.00 0.00 C ATOM 1380 CG LEU A 92 1.573 -4.469 -6.609 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.793 -4.281 -7.497 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.755 -3.739 -5.286 1.00 0.00 C ATOM 0 H LEU A 92 -1.526 -5.618 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.902 -4.793 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.394 -4.234 -8.378 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.277 -2.895 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 92 1.462 -5.533 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.682 -4.633 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.664 -4.851 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.909 -3.224 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.658 -4.099 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.844 -2.668 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.893 -3.926 -4.645 1.00 0.00 H new ATOM 1394 N SER A 93 -2.674 -3.083 -5.789 1.00 0.00 N ATOM 1395 CA SER A 93 -3.733 -2.081 -5.773 1.00 0.00 C ATOM 1396 C SER A 93 -3.292 -0.814 -6.501 1.00 0.00 C ATOM 1397 O SER A 93 -2.104 -0.512 -6.611 1.00 0.00 O ATOM 1398 CB SER A 93 -4.125 -1.745 -4.333 1.00 0.00 C ATOM 1399 OG SER A 93 -3.282 -0.741 -3.796 1.00 0.00 O ATOM 0 H SER A 93 -2.417 -3.439 -4.868 1.00 0.00 H new ATOM 0 HA SER A 93 -4.599 -2.494 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.161 -1.408 -4.304 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.065 -2.643 -3.717 1.00 0.00 H new ATOM 0 HG SER A 93 -3.503 0.123 -4.202 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.273 -0.055 -7.011 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.012 1.192 -7.737 1.00 0.00 C ATOM 1407 C PRO A 94 -3.497 2.298 -6.823 1.00 0.00 C ATOM 1408 O PRO A 94 -4.200 2.744 -5.916 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.384 1.564 -8.307 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.363 0.917 -7.390 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.712 -0.354 -6.918 1.00 0.00 C ATOM 0 HA PRO A 94 -3.239 1.068 -8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.522 2.645 -8.334 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.500 1.202 -9.329 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.600 1.569 -6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.300 0.707 -7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.006 -0.601 -5.898 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.987 -1.203 -7.544 1.00 0.00 H new ATOM 1419 N SER A 95 -2.267 2.737 -7.068 1.00 0.00 N ATOM 1420 CA SER A 95 -1.656 3.790 -6.264 1.00 0.00 C ATOM 1421 C SER A 95 -2.628 4.947 -6.056 1.00 0.00 C ATOM 1422 O SER A 95 -3.486 5.211 -6.899 1.00 0.00 O ATOM 1423 CB SER A 95 -0.379 4.297 -6.936 1.00 0.00 C ATOM 1424 OG SER A 95 -0.445 4.140 -8.343 1.00 0.00 O ATOM 0 H SER A 95 -1.673 2.380 -7.817 1.00 0.00 H new ATOM 0 HA SER A 95 -1.404 3.370 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.229 5.348 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.481 3.753 -6.546 1.00 0.00 H new ATOM 0 HG SER A 95 0.342 4.553 -8.756 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.488 5.633 -4.927 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.352 6.762 -4.607 1.00 0.00 C ATOM 1432 C ILE A 96 -2.621 8.086 -4.800 1.00 0.00 C ATOM 1433 O ILE A 96 -3.242 9.118 -5.051 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.872 6.682 -3.160 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.743 6.269 -2.212 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.033 5.703 -3.067 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.124 6.346 -0.750 1.00 0.00 C ATOM 0 H ILE A 96 -1.784 5.426 -4.218 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.199 6.714 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.229 7.668 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.437 5.249 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.879 6.909 -2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.389 5.658 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.842 6.036 -3.717 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.700 4.713 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.277 6.039 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.402 7.370 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.969 5.684 -0.559 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.298 8.048 -4.682 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.481 9.245 -4.845 1.00 0.00 C ATOM 1451 C GLN A 97 -0.805 10.275 -3.768 1.00 0.00 C ATOM 1452 O GLN A 97 -1.039 11.446 -4.065 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.701 9.853 -6.231 1.00 0.00 C ATOM 1454 CG GLN A 97 0.233 9.298 -7.294 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.404 9.259 -8.669 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.887 10.275 -9.170 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.409 8.084 -9.287 1.00 0.00 N ATOM 0 H GLN A 97 -0.769 7.201 -4.474 1.00 0.00 H new ATOM 0 HA GLN A 97 0.565 8.957 -4.744 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.732 9.676 -6.537 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.568 10.933 -6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.136 9.908 -7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.541 8.291 -7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.003 7.268 -8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.824 7.997 -10.215 1.00 0.00 H new ATOM 1466 N SER A 98 -0.816 9.830 -2.515 1.00 0.00 N ATOM 1467 CA SER A 98 -1.116 10.713 -1.393 1.00 0.00 C ATOM 1468 C SER A 98 -0.003 11.738 -1.197 1.00 0.00 C ATOM 1469 O SER A 98 1.052 11.427 -0.644 1.00 0.00 O ATOM 1470 CB SER A 98 -1.306 9.898 -0.112 1.00 0.00 C ATOM 1471 OG SER A 98 -1.867 10.692 0.919 1.00 0.00 O ATOM 0 H SER A 98 -0.621 8.864 -2.251 1.00 0.00 H new ATOM 0 HA SER A 98 -2.041 11.244 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.955 9.045 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.346 9.498 0.214 1.00 0.00 H new ATOM 0 HG SER A 98 -1.833 10.200 1.766 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.247 12.962 -1.654 1.00 0.00 N ATOM 1478 CA ARG A 99 0.734 14.033 -1.530 1.00 0.00 C ATOM 1479 C ARG A 99 0.777 14.568 -0.102 1.00 0.00 C ATOM 1480 O ARG A 99 -0.186 15.167 0.379 1.00 0.00 O ATOM 1481 CB ARG A 99 0.405 15.168 -2.502 1.00 0.00 C ATOM 1482 CG ARG A 99 1.344 16.358 -2.388 1.00 0.00 C ATOM 1483 CD ARG A 99 1.028 17.419 -3.430 1.00 0.00 C ATOM 1484 NE ARG A 99 2.218 18.166 -3.829 1.00 0.00 N ATOM 1485 CZ ARG A 99 2.271 18.942 -4.906 1.00 0.00 C ATOM 1486 NH1 ARG A 99 1.208 19.073 -5.686 1.00 0.00 N ATOM 1487 NH2 ARG A 99 3.391 19.590 -5.203 1.00 0.00 N ATOM 0 H ARG A 99 -1.115 13.236 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 99 1.714 13.625 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.441 14.784 -3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.617 15.503 -2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.265 16.791 -1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.374 16.023 -2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.586 16.946 -4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.284 18.109 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 99 3.054 18.088 -3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.346 18.577 -5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.252 19.670 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.211 19.492 -4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.432 20.186 -6.030 1.00 0.00 H new ATOM 1501 N THR A 100 1.901 14.349 0.573 1.00 0.00 N ATOM 1502 CA THR A 100 2.070 14.807 1.946 1.00 0.00 C ATOM 1503 C THR A 100 1.593 16.245 2.109 1.00 0.00 C ATOM 1504 O THR A 100 1.679 17.046 1.179 1.00 0.00 O ATOM 1505 CB THR A 100 3.541 14.712 2.393 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.357 15.558 1.575 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.042 13.278 2.307 1.00 0.00 C ATOM 0 H THR A 100 2.708 13.857 0.190 1.00 0.00 H new ATOM 0 HA THR A 100 1.464 14.153 2.574 1.00 0.00 H new ATOM 0 HB THR A 100 3.604 15.040 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.110 15.042 1.220 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.083 13.236 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.437 12.642 2.954 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.965 12.927 1.278 1.00 0.00 H new ATOM 1515 N MET A 101 1.089 16.566 3.296 1.00 0.00 N ATOM 1516 CA MET A 101 0.600 17.911 3.580 1.00 0.00 C ATOM 1517 C MET A 101 1.727 18.933 3.475 1.00 0.00 C ATOM 1518 O MET A 101 2.854 18.698 3.912 1.00 0.00 O ATOM 1519 CB MET A 101 -0.024 17.965 4.976 1.00 0.00 C ATOM 1520 CG MET A 101 0.968 18.316 6.072 1.00 0.00 C ATOM 1521 SD MET A 101 0.171 18.607 7.663 1.00 0.00 S ATOM 1522 CE MET A 101 -0.579 17.008 7.964 1.00 0.00 C ATOM 0 H MET A 101 1.008 15.914 4.076 1.00 0.00 H new ATOM 0 HA MET A 101 -0.161 18.158 2.839 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.829 18.700 4.977 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.475 16.998 5.201 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.691 17.507 6.175 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.525 19.206 5.781 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.664 17.112 7.981 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.293 16.317 7.171 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.237 16.621 8.924 1.00 0.00 H new ATOM 1532 N PRO A 102 1.420 20.095 2.880 1.00 0.00 N ATOM 1533 CA PRO A 102 2.394 21.176 2.704 1.00 0.00 C ATOM 1534 C PRO A 102 2.770 21.839 4.025 1.00 0.00 C ATOM 1535 O PRO A 102 2.046 22.697 4.529 1.00 0.00 O ATOM 1536 CB PRO A 102 1.662 22.169 1.797 1.00 0.00 C ATOM 1537 CG PRO A 102 0.215 21.915 2.048 1.00 0.00 C ATOM 1538 CD PRO A 102 0.097 20.444 2.335 1.00 0.00 C ATOM 0 HA PRO A 102 3.335 20.813 2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.931 23.198 2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.916 22.010 0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.145 22.507 2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.386 22.193 1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.699 20.237 3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.129 19.875 1.433 1.00 0.00 H new ATOM 1546 N VAL A 103 3.908 21.435 4.581 1.00 0.00 N ATOM 1547 CA VAL A 103 4.381 21.991 5.843 1.00 0.00 C ATOM 1548 C VAL A 103 4.168 23.500 5.893 1.00 0.00 C ATOM 1549 O VAL A 103 4.795 24.251 5.146 1.00 0.00 O ATOM 1550 CB VAL A 103 5.875 21.687 6.065 1.00 0.00 C ATOM 1551 CG1 VAL A 103 6.668 21.947 4.794 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.420 22.512 7.222 1.00 0.00 C ATOM 0 H VAL A 103 4.519 20.725 4.177 1.00 0.00 H new ATOM 0 HA VAL A 103 3.800 21.519 6.635 1.00 0.00 H new ATOM 0 HB VAL A 103 5.979 20.632 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.721 21.727 4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.293 21.309 3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.560 22.992 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.476 22.285 7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.304 23.573 6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.871 22.270 8.132 1.00 0.00 H new TER 1562 VAL A 103