USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 hydrogens (5 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 56 SER OG : rot 94:sc= -0.578 USER MOD Set 1.2: B 121 SER OG : rot -160:sc= 0.852 USER MOD Set 2.1: A 14 ASN : amide:sc= 0.442 K(o=0.44,f=-3!) USER MOD Set 2.2: A 15 THR OG1 : rot -24:sc= 0.00138! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 29:sc= 1.28 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.244 K(o=-0.24,f=-1.6!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.223 USER MOD Single : A 34 TYR OH : rot 51:sc= 1.36 USER MOD Single : A 38 HIS : no HD1:sc= -6.37! C(o=-6.4!,f=-13!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.02 K(o=-0.02,f=-1.6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.45 K(o=-1.5,f=-4.1!) USER MOD Single : A 50 MET CE :methyl 180:sc= -0.0175 (180deg=-0.0175) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -140:sc= -1.33 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -68:sc= 0.154 USER MOD Single : A 75 SER OG : rot 136:sc= 0.278 USER MOD Single : A 76 ASN : amide:sc= -14.4! C(o=-14!,f=-20!) USER MOD Single : A 77 TYR OH : rot 10:sc= 0.0724 USER MOD Single : A 83 SER OG : rot -45:sc= 0.571 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : B 120 HIS : no HD1:sc= -0.0802 X(o=-0.08,f=0) USER MOD Single : B 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 123 TYR OH : rot 180:sc= 0 USER MOD Single : B 130 SER OG : rot -60:sc= 0.0503 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.390 -29.304 13.702 1.00 0.00 N ATOM 2 CA GLY A 1 30.464 -30.337 14.131 1.00 0.00 C ATOM 3 C GLY A 1 29.127 -30.218 13.396 1.00 0.00 C ATOM 4 O GLY A 1 28.270 -29.427 13.784 1.00 0.00 O ATOM 0 H1 GLY A 1 32.288 -29.408 14.216 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.563 -29.395 12.681 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.983 -28.368 13.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.899 -31.319 13.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.300 -30.259 15.206 1.00 0.00 H new ATOM 8 N PRO A 2 28.990 -31.036 12.318 1.00 0.00 N ATOM 9 CA PRO A 2 27.773 -31.028 11.523 1.00 0.00 C ATOM 10 C PRO A 2 26.636 -31.744 12.256 1.00 0.00 C ATOM 11 O PRO A 2 26.846 -32.795 12.859 1.00 0.00 O ATOM 12 CB PRO A 2 28.153 -31.701 10.215 1.00 0.00 C ATOM 13 CG PRO A 2 29.431 -32.473 10.500 1.00 0.00 C ATOM 14 CD PRO A 2 29.985 -31.985 11.829 1.00 0.00 C ATOM 0 HA PRO A 2 27.395 -30.022 11.342 1.00 0.00 H new ATOM 0 HB2 PRO A 2 27.361 -32.368 9.875 1.00 0.00 H new ATOM 0 HB3 PRO A 2 28.309 -30.964 9.427 1.00 0.00 H new ATOM 0 HG2 PRO A 2 29.229 -33.543 10.541 1.00 0.00 H new ATOM 0 HG3 PRO A 2 30.158 -32.316 9.703 1.00 0.00 H new ATOM 0 HD2 PRO A 2 30.123 -32.810 12.528 1.00 0.00 H new ATOM 0 HD3 PRO A 2 30.957 -31.509 11.702 1.00 0.00 H new ATOM 22 N LEU A 3 25.456 -31.146 12.179 1.00 0.00 N ATOM 23 CA LEU A 3 24.286 -31.714 12.827 1.00 0.00 C ATOM 24 C LEU A 3 23.031 -31.002 12.318 1.00 0.00 C ATOM 25 O LEU A 3 23.089 -29.835 11.930 1.00 0.00 O ATOM 26 CB LEU A 3 24.443 -31.671 14.349 1.00 0.00 C ATOM 27 CG LEU A 3 24.704 -30.292 14.957 1.00 0.00 C ATOM 28 CD1 LEU A 3 23.391 -29.571 15.268 1.00 0.00 C ATOM 29 CD2 LEU A 3 25.605 -30.398 16.190 1.00 0.00 C ATOM 0 H LEU A 3 25.285 -30.274 11.678 1.00 0.00 H new ATOM 0 HA LEU A 3 24.182 -32.768 12.570 1.00 0.00 H new ATOM 0 HB2 LEU A 3 23.538 -32.080 14.799 1.00 0.00 H new ATOM 0 HB3 LEU A 3 25.264 -32.331 14.629 1.00 0.00 H new ATOM 0 HG LEU A 3 25.235 -29.690 14.220 1.00 0.00 H new ATOM 0 HD11 LEU A 3 23.606 -28.593 15.699 1.00 0.00 H new ATOM 0 HD12 LEU A 3 22.819 -29.444 14.349 1.00 0.00 H new ATOM 0 HD13 LEU A 3 22.811 -30.161 15.978 1.00 0.00 H new ATOM 0 HD21 LEU A 3 25.775 -29.404 16.603 1.00 0.00 H new ATOM 0 HD22 LEU A 3 25.123 -31.025 16.940 1.00 0.00 H new ATOM 0 HD23 LEU A 3 26.560 -30.841 15.906 1.00 0.00 H new ATOM 41 N GLY A 4 21.926 -31.733 12.335 1.00 0.00 N ATOM 42 CA GLY A 4 20.659 -31.186 11.879 1.00 0.00 C ATOM 43 C GLY A 4 19.854 -32.236 11.111 1.00 0.00 C ATOM 44 O GLY A 4 20.384 -33.283 10.743 1.00 0.00 O ATOM 0 H GLY A 4 21.882 -32.700 12.657 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.082 -30.834 12.734 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.841 -30.322 11.239 1.00 0.00 H new ATOM 48 N SER A 5 18.586 -31.919 10.892 1.00 0.00 N ATOM 49 CA SER A 5 17.703 -32.821 10.174 1.00 0.00 C ATOM 50 C SER A 5 16.399 -32.103 9.818 1.00 0.00 C ATOM 51 O SER A 5 15.524 -31.938 10.667 1.00 0.00 O ATOM 52 CB SER A 5 17.409 -34.076 10.998 1.00 0.00 C ATOM 53 OG SER A 5 18.434 -35.057 10.861 1.00 0.00 O ATOM 0 H SER A 5 18.150 -31.050 11.199 1.00 0.00 H new ATOM 0 HA SER A 5 18.203 -33.130 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.306 -33.804 12.048 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.456 -34.501 10.683 1.00 0.00 H new ATOM 0 HG SER A 5 19.289 -34.614 10.681 1.00 0.00 H new ATOM 59 N PRO A 6 16.308 -31.685 8.527 1.00 0.00 N ATOM 60 CA PRO A 6 15.125 -30.989 8.047 1.00 0.00 C ATOM 61 C PRO A 6 13.959 -31.960 7.852 1.00 0.00 C ATOM 62 O PRO A 6 14.164 -33.167 7.742 1.00 0.00 O ATOM 63 CB PRO A 6 15.561 -30.316 6.757 1.00 0.00 C ATOM 64 CG PRO A 6 16.827 -31.035 6.319 1.00 0.00 C ATOM 65 CD PRO A 6 17.323 -31.863 7.493 1.00 0.00 C ATOM 0 HA PRO A 6 14.753 -30.252 8.758 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.785 -30.392 5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 6 15.750 -29.254 6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.625 -31.674 5.459 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.587 -30.317 6.011 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.430 -32.913 7.220 1.00 0.00 H new ATOM 0 HD3 PRO A 6 18.300 -31.521 7.834 1.00 0.00 H new ATOM 73 N GLY A 7 12.761 -31.395 7.815 1.00 0.00 N ATOM 74 CA GLY A 7 11.561 -32.196 7.635 1.00 0.00 C ATOM 75 C GLY A 7 10.343 -31.504 8.250 1.00 0.00 C ATOM 76 O GLY A 7 10.000 -31.755 9.404 1.00 0.00 O ATOM 0 H GLY A 7 12.595 -30.393 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.389 -32.366 6.572 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.700 -33.174 8.096 1.00 0.00 H new ATOM 80 N PRO A 8 9.707 -30.625 7.430 1.00 0.00 N ATOM 81 CA PRO A 8 8.534 -29.896 7.881 1.00 0.00 C ATOM 82 C PRO A 8 7.304 -30.805 7.919 1.00 0.00 C ATOM 83 O PRO A 8 7.346 -31.934 7.431 1.00 0.00 O ATOM 84 CB PRO A 8 8.389 -28.741 6.904 1.00 0.00 C ATOM 85 CG PRO A 8 9.200 -29.127 5.678 1.00 0.00 C ATOM 86 CD PRO A 8 10.085 -30.304 6.057 1.00 0.00 C ATOM 0 HA PRO A 8 8.635 -29.527 8.902 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.343 -28.578 6.645 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.758 -27.812 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.540 -29.395 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.806 -28.286 5.341 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.921 -31.152 5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.141 -30.044 5.988 1.00 0.00 H new ATOM 94 N ASN A 9 6.237 -30.281 8.504 1.00 0.00 N ATOM 95 CA ASN A 9 4.997 -31.031 8.613 1.00 0.00 C ATOM 96 C ASN A 9 4.244 -30.957 7.283 1.00 0.00 C ATOM 97 O ASN A 9 3.515 -29.999 7.031 1.00 0.00 O ATOM 98 CB ASN A 9 4.093 -30.448 9.701 1.00 0.00 C ATOM 99 CG ASN A 9 3.508 -31.556 10.579 1.00 0.00 C ATOM 100 OD1 ASN A 9 3.874 -31.730 11.729 1.00 0.00 O ATOM 101 ND2 ASN A 9 2.580 -32.291 9.974 1.00 0.00 N ATOM 0 H ASN A 9 6.206 -29.345 8.908 1.00 0.00 H new ATOM 0 HA ASN A 9 5.247 -32.061 8.867 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.662 -29.753 10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.285 -29.879 9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.127 -33.055 10.476 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.321 -32.091 9.008 1.00 0.00 H new ATOM 108 N SER A 10 4.446 -31.982 6.467 1.00 0.00 N ATOM 109 CA SER A 10 3.796 -32.045 5.169 1.00 0.00 C ATOM 110 C SER A 10 2.280 -31.929 5.339 1.00 0.00 C ATOM 111 O SER A 10 1.648 -32.806 5.926 1.00 0.00 O ATOM 112 CB SER A 10 4.151 -33.341 4.437 1.00 0.00 C ATOM 113 OG SER A 10 3.370 -33.518 3.259 1.00 0.00 O ATOM 0 H SER A 10 5.051 -32.775 6.680 1.00 0.00 H new ATOM 0 HA SER A 10 4.153 -31.210 4.566 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.208 -33.331 4.173 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.998 -34.189 5.105 1.00 0.00 H new ATOM 0 HG SER A 10 3.627 -34.355 2.819 1.00 0.00 H new ATOM 119 N HIS A 11 1.739 -30.839 4.813 1.00 0.00 N ATOM 120 CA HIS A 11 0.308 -30.598 4.898 1.00 0.00 C ATOM 121 C HIS A 11 -0.059 -29.382 4.045 1.00 0.00 C ATOM 122 O HIS A 11 0.808 -28.586 3.688 1.00 0.00 O ATOM 123 CB HIS A 11 -0.132 -30.455 6.356 1.00 0.00 C ATOM 124 CG HIS A 11 -0.244 -29.024 6.826 1.00 0.00 C ATOM 125 ND1 HIS A 11 -1.459 -28.409 7.075 1.00 0.00 N ATOM 126 CD2 HIS A 11 0.719 -28.096 7.090 1.00 0.00 C ATOM 127 CE1 HIS A 11 -1.225 -27.166 7.470 1.00 0.00 C ATOM 128 NE2 HIS A 11 0.125 -26.973 7.478 1.00 0.00 N ATOM 0 H HIS A 11 2.266 -30.113 4.327 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.234 -31.455 4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.097 -30.945 6.483 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.579 -30.981 6.993 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.784 -28.248 6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.972 -26.434 7.739 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.600 -26.109 7.739 1.00 0.00 H new ATOM 136 N ASN A 12 -1.345 -29.278 3.744 1.00 0.00 N ATOM 137 CA ASN A 12 -1.838 -28.172 2.940 1.00 0.00 C ATOM 138 C ASN A 12 -3.323 -28.387 2.641 1.00 0.00 C ATOM 139 O ASN A 12 -3.785 -29.523 2.559 1.00 0.00 O ATOM 140 CB ASN A 12 -1.094 -28.088 1.604 1.00 0.00 C ATOM 141 CG ASN A 12 -0.881 -26.632 1.187 1.00 0.00 C ATOM 142 OD1 ASN A 12 -0.783 -25.733 2.005 1.00 0.00 O ATOM 143 ND2 ASN A 12 -0.813 -26.451 -0.129 1.00 0.00 N ATOM 0 H ASN A 12 -2.060 -29.941 4.042 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.679 -27.250 3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.131 -28.591 1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.661 -28.611 0.834 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.671 -25.515 -0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.903 -27.248 -0.759 1.00 0.00 H new ATOM 150 N SER A 13 -4.029 -27.275 2.490 1.00 0.00 N ATOM 151 CA SER A 13 -5.453 -27.327 2.203 1.00 0.00 C ATOM 152 C SER A 13 -5.872 -26.086 1.411 1.00 0.00 C ATOM 153 O SER A 13 -5.338 -25.000 1.626 1.00 0.00 O ATOM 154 CB SER A 13 -6.270 -27.437 3.491 1.00 0.00 C ATOM 155 OG SER A 13 -5.971 -28.628 4.214 1.00 0.00 O ATOM 0 H SER A 13 -3.642 -26.334 2.561 1.00 0.00 H new ATOM 0 HA SER A 13 -5.650 -28.216 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.071 -26.571 4.122 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.333 -27.417 3.249 1.00 0.00 H new ATOM 0 HG SER A 13 -6.512 -28.660 5.030 1.00 0.00 H new ATOM 161 N ASN A 14 -6.825 -26.291 0.513 1.00 0.00 N ATOM 162 CA ASN A 14 -7.322 -25.203 -0.311 1.00 0.00 C ATOM 163 C ASN A 14 -8.412 -25.733 -1.245 1.00 0.00 C ATOM 164 O ASN A 14 -8.374 -26.892 -1.653 1.00 0.00 O ATOM 165 CB ASN A 14 -6.206 -24.611 -1.174 1.00 0.00 C ATOM 166 CG ASN A 14 -6.599 -23.233 -1.710 1.00 0.00 C ATOM 167 OD1 ASN A 14 -7.483 -23.090 -2.539 1.00 0.00 O ATOM 168 ND2 ASN A 14 -5.896 -22.230 -1.192 1.00 0.00 N ATOM 0 H ASN A 14 -7.266 -27.194 0.338 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.714 -24.431 0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.292 -24.529 -0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.991 -25.281 -2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.083 -21.271 -1.485 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.170 -22.420 -0.502 1.00 0.00 H new ATOM 175 N THR A 15 -9.357 -24.858 -1.556 1.00 0.00 N ATOM 176 CA THR A 15 -10.455 -25.224 -2.434 1.00 0.00 C ATOM 177 C THR A 15 -9.943 -26.059 -3.609 1.00 0.00 C ATOM 178 O THR A 15 -8.760 -26.008 -3.943 1.00 0.00 O ATOM 179 CB THR A 15 -11.164 -23.938 -2.865 1.00 0.00 C ATOM 180 OG1 THR A 15 -10.112 -23.108 -3.350 1.00 0.00 O ATOM 181 CG2 THR A 15 -11.737 -23.159 -1.680 1.00 0.00 C ATOM 0 H THR A 15 -9.385 -23.897 -1.216 1.00 0.00 H new ATOM 0 HA THR A 15 -11.180 -25.855 -1.920 1.00 0.00 H new ATOM 0 HB THR A 15 -11.967 -24.182 -3.560 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.263 -23.386 -2.946 1.00 0.00 H new ATOM 0 HG21 THR A 15 -12.229 -22.256 -2.042 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.461 -23.780 -1.152 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.930 -22.885 -1.000 1.00 0.00 H new ATOM 189 N PRO A 16 -10.883 -26.828 -4.220 1.00 0.00 N ATOM 190 CA PRO A 16 -10.539 -27.674 -5.351 1.00 0.00 C ATOM 191 C PRO A 16 -10.346 -26.840 -6.620 1.00 0.00 C ATOM 192 O PRO A 16 -10.160 -25.626 -6.547 1.00 0.00 O ATOM 193 CB PRO A 16 -11.683 -28.668 -5.462 1.00 0.00 C ATOM 194 CG PRO A 16 -12.843 -28.057 -4.690 1.00 0.00 C ATOM 195 CD PRO A 16 -12.293 -26.914 -3.853 1.00 0.00 C ATOM 0 HA PRO A 16 -9.590 -28.193 -5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.954 -28.837 -6.504 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.402 -29.635 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.609 -27.694 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.314 -28.805 -4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.815 -25.981 -4.066 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.413 -27.110 -2.788 1.00 0.00 H new ATOM 203 N GLY A 17 -10.398 -27.525 -7.752 1.00 0.00 N ATOM 204 CA GLY A 17 -10.232 -26.862 -9.036 1.00 0.00 C ATOM 205 C GLY A 17 -11.146 -25.641 -9.145 1.00 0.00 C ATOM 206 O GLY A 17 -10.685 -24.505 -9.041 1.00 0.00 O ATOM 0 H GLY A 17 -10.553 -28.532 -7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.193 -26.555 -9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.456 -27.561 -9.842 1.00 0.00 H new ATOM 210 N ILE A 18 -12.425 -25.916 -9.353 1.00 0.00 N ATOM 211 CA ILE A 18 -13.409 -24.853 -9.477 1.00 0.00 C ATOM 212 C ILE A 18 -13.048 -23.968 -10.672 1.00 0.00 C ATOM 213 O ILE A 18 -11.872 -23.785 -10.980 1.00 0.00 O ATOM 214 CB ILE A 18 -13.537 -24.085 -8.160 1.00 0.00 C ATOM 215 CG1 ILE A 18 -14.511 -24.787 -7.209 1.00 0.00 C ATOM 216 CG2 ILE A 18 -13.930 -22.628 -8.410 1.00 0.00 C ATOM 217 CD1 ILE A 18 -14.369 -24.248 -5.784 1.00 0.00 C ATOM 0 H ILE A 18 -12.803 -26.859 -9.439 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.397 -25.269 -9.674 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.562 -24.076 -7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -15.534 -24.641 -7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.322 -25.860 -7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.014 -22.105 -7.457 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -13.168 -22.146 -9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.888 -22.593 -8.929 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -15.072 -24.763 -5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.352 -24.418 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -14.582 -23.179 -5.776 1.00 0.00 H new ATOM 229 N ARG A 19 -14.082 -23.442 -11.312 1.00 0.00 N ATOM 230 CA ARG A 19 -13.889 -22.581 -12.466 1.00 0.00 C ATOM 231 C ARG A 19 -12.911 -21.454 -12.129 1.00 0.00 C ATOM 232 O ARG A 19 -13.134 -20.694 -11.188 1.00 0.00 O ATOM 233 CB ARG A 19 -15.215 -21.975 -12.928 1.00 0.00 C ATOM 234 CG ARG A 19 -15.869 -22.842 -14.006 1.00 0.00 C ATOM 235 CD ARG A 19 -16.602 -24.032 -13.382 1.00 0.00 C ATOM 236 NE ARG A 19 -18.054 -23.928 -13.648 1.00 0.00 N ATOM 237 CZ ARG A 19 -18.913 -24.951 -13.541 1.00 0.00 C ATOM 238 NH1 ARG A 19 -18.471 -26.160 -13.173 1.00 0.00 N ATOM 239 NH2 ARG A 19 -20.214 -24.763 -13.802 1.00 0.00 N ATOM 0 H ARG A 19 -15.057 -23.596 -11.053 1.00 0.00 H new ATOM 0 HA ARG A 19 -13.481 -23.192 -13.272 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -15.889 -21.876 -12.077 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.044 -20.972 -13.318 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -16.570 -22.241 -14.585 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.109 -23.201 -14.700 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -16.215 -24.964 -13.793 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.422 -24.058 -12.307 1.00 0.00 H new ATOM 0 HE ARG A 19 -18.424 -23.021 -13.931 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -17.481 -26.302 -12.974 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -19.125 -26.939 -13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -20.550 -23.842 -14.082 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -20.868 -25.541 -13.721 1.00 0.00 H new ATOM 253 N GLU A 20 -11.848 -21.381 -12.917 1.00 0.00 N ATOM 254 CA GLU A 20 -10.835 -20.359 -12.714 1.00 0.00 C ATOM 255 C GLU A 20 -9.660 -20.581 -13.668 1.00 0.00 C ATOM 256 O GLU A 20 -9.584 -21.610 -14.337 1.00 0.00 O ATOM 257 CB GLU A 20 -10.363 -20.336 -11.258 1.00 0.00 C ATOM 258 CG GLU A 20 -10.359 -18.909 -10.706 1.00 0.00 C ATOM 259 CD GLU A 20 -11.041 -18.848 -9.338 1.00 0.00 C ATOM 260 OE1 GLU A 20 -10.739 -19.738 -8.513 1.00 0.00 O ATOM 261 OE2 GLU A 20 -11.849 -17.915 -9.147 1.00 0.00 O ATOM 0 H GLU A 20 -11.666 -22.013 -13.697 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.277 -19.387 -12.933 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.015 -20.963 -10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.361 -20.759 -11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.333 -18.551 -10.621 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.872 -18.245 -11.402 1.00 0.00 H new ATOM 268 N ALA A 21 -8.772 -19.598 -13.700 1.00 0.00 N ATOM 269 CA ALA A 21 -7.604 -19.673 -14.560 1.00 0.00 C ATOM 270 C ALA A 21 -8.053 -19.706 -16.022 1.00 0.00 C ATOM 271 O ALA A 21 -9.009 -20.400 -16.366 1.00 0.00 O ATOM 272 CB ALA A 21 -6.766 -20.896 -14.180 1.00 0.00 C ATOM 0 H ALA A 21 -8.838 -18.745 -13.144 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.974 -18.793 -14.428 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.890 -20.952 -14.826 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.446 -20.810 -13.141 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.364 -21.799 -14.302 1.00 0.00 H new ATOM 278 N GLY A 22 -7.344 -18.945 -16.844 1.00 0.00 N ATOM 279 CA GLY A 22 -7.659 -18.879 -18.260 1.00 0.00 C ATOM 280 C GLY A 22 -7.272 -17.519 -18.845 1.00 0.00 C ATOM 281 O GLY A 22 -8.116 -16.811 -19.392 1.00 0.00 O ATOM 0 H GLY A 22 -6.553 -18.369 -16.556 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.131 -19.671 -18.791 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.725 -19.052 -18.408 1.00 0.00 H new ATOM 285 N SER A 23 -5.994 -17.195 -18.709 1.00 0.00 N ATOM 286 CA SER A 23 -5.485 -15.932 -19.217 1.00 0.00 C ATOM 287 C SER A 23 -6.091 -14.769 -18.430 1.00 0.00 C ATOM 288 O SER A 23 -6.763 -14.980 -17.422 1.00 0.00 O ATOM 289 CB SER A 23 -5.785 -15.778 -20.709 1.00 0.00 C ATOM 290 OG SER A 23 -4.635 -16.025 -21.513 1.00 0.00 O ATOM 0 H SER A 23 -5.297 -17.785 -18.255 1.00 0.00 H new ATOM 0 HA SER A 23 -4.403 -15.923 -19.089 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.580 -16.468 -20.992 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.153 -14.770 -20.903 1.00 0.00 H new ATOM 0 HG SER A 23 -4.868 -15.918 -22.459 1.00 0.00 H new ATOM 296 N GLU A 24 -5.833 -13.566 -18.921 1.00 0.00 N ATOM 297 CA GLU A 24 -6.344 -12.369 -18.277 1.00 0.00 C ATOM 298 C GLU A 24 -5.685 -12.178 -16.909 1.00 0.00 C ATOM 299 O GLU A 24 -6.154 -12.718 -15.909 1.00 0.00 O ATOM 300 CB GLU A 24 -7.868 -12.424 -18.147 1.00 0.00 C ATOM 301 CG GLU A 24 -8.506 -12.978 -19.422 1.00 0.00 C ATOM 302 CD GLU A 24 -10.030 -13.039 -19.290 1.00 0.00 C ATOM 303 OE1 GLU A 24 -10.653 -11.963 -19.410 1.00 0.00 O ATOM 304 OE2 GLU A 24 -10.536 -14.162 -19.073 1.00 0.00 O ATOM 0 H GLU A 24 -5.276 -13.395 -19.758 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.095 -11.511 -18.902 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.142 -13.049 -17.297 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.256 -11.425 -17.946 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.236 -12.350 -20.271 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.115 -13.975 -19.625 1.00 0.00 H new ATOM 311 N ASP A 25 -4.606 -11.409 -16.910 1.00 0.00 N ATOM 312 CA ASP A 25 -3.877 -11.141 -15.683 1.00 0.00 C ATOM 313 C ASP A 25 -2.950 -9.943 -15.896 1.00 0.00 C ATOM 314 O ASP A 25 -1.869 -10.083 -16.467 1.00 0.00 O ATOM 315 CB ASP A 25 -3.015 -12.340 -15.280 1.00 0.00 C ATOM 316 CG ASP A 25 -3.797 -13.587 -14.866 1.00 0.00 C ATOM 317 OD1 ASP A 25 -4.669 -13.443 -13.982 1.00 0.00 O ATOM 318 OD2 ASP A 25 -3.504 -14.658 -15.441 1.00 0.00 O ATOM 0 H ASP A 25 -4.219 -10.963 -17.742 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.605 -10.940 -14.897 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.364 -12.598 -16.116 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.370 -12.043 -14.453 1.00 0.00 H new ATOM 323 N ILE A 26 -3.406 -8.791 -15.425 1.00 0.00 N ATOM 324 CA ILE A 26 -2.631 -7.569 -15.558 1.00 0.00 C ATOM 325 C ILE A 26 -1.580 -7.514 -14.448 1.00 0.00 C ATOM 326 O ILE A 26 -1.892 -7.174 -13.309 1.00 0.00 O ATOM 327 CB ILE A 26 -3.554 -6.349 -15.591 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.315 -6.274 -16.916 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.776 -5.065 -15.302 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.459 -5.622 -18.003 1.00 0.00 C ATOM 0 H ILE A 26 -4.302 -8.678 -14.951 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.095 -7.560 -16.507 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.296 -6.459 -14.800 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.606 -7.277 -17.230 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.234 -5.703 -16.780 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.456 -4.213 -15.332 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.319 -5.131 -14.314 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.998 -4.934 -16.054 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.023 -5.581 -18.935 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.190 -4.611 -17.697 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.553 -6.209 -18.153 1.00 0.00 H new ATOM 342 N ILE A 27 -0.354 -7.854 -14.820 1.00 0.00 N ATOM 343 CA ILE A 27 0.746 -7.848 -13.870 1.00 0.00 C ATOM 344 C ILE A 27 1.419 -6.474 -13.886 1.00 0.00 C ATOM 345 O ILE A 27 1.755 -5.956 -14.949 1.00 0.00 O ATOM 346 CB ILE A 27 1.704 -9.006 -14.152 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.934 -10.281 -14.501 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.666 -9.219 -12.982 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.308 -10.904 -13.251 1.00 0.00 C ATOM 0 H ILE A 27 -0.098 -8.135 -15.766 1.00 0.00 H new ATOM 0 HA ILE A 27 0.377 -8.011 -12.858 1.00 0.00 H new ATOM 0 HB ILE A 27 2.308 -8.746 -15.021 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.154 -10.052 -15.227 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.606 -10.999 -14.972 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.336 -10.048 -13.208 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.251 -8.313 -12.822 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.098 -9.448 -12.081 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.233 -11.809 -13.528 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.093 -11.155 -12.537 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.382 -10.193 -12.797 1.00 0.00 H new ATOM 361 N VAL A 28 1.597 -5.925 -12.694 1.00 0.00 N ATOM 362 CA VAL A 28 2.225 -4.621 -12.557 1.00 0.00 C ATOM 363 C VAL A 28 3.233 -4.663 -11.407 1.00 0.00 C ATOM 364 O VAL A 28 2.934 -5.180 -10.332 1.00 0.00 O ATOM 365 CB VAL A 28 1.155 -3.541 -12.374 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.279 -3.422 -13.622 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.306 -3.815 -11.131 1.00 0.00 C ATOM 0 H VAL A 28 1.318 -6.359 -11.814 1.00 0.00 H new ATOM 0 HA VAL A 28 2.775 -4.366 -13.463 1.00 0.00 H new ATOM 0 HB VAL A 28 1.662 -2.587 -12.228 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.473 -2.648 -13.466 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.900 -3.158 -14.478 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.215 -4.375 -13.812 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.446 -3.033 -11.024 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.187 -4.782 -11.233 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.946 -3.826 -10.249 1.00 0.00 H new ATOM 377 N VAL A 29 4.410 -4.114 -11.674 1.00 0.00 N ATOM 378 CA VAL A 29 5.464 -4.083 -10.674 1.00 0.00 C ATOM 379 C VAL A 29 5.397 -2.760 -9.909 1.00 0.00 C ATOM 380 O VAL A 29 5.233 -1.699 -10.510 1.00 0.00 O ATOM 381 CB VAL A 29 6.822 -4.321 -11.339 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.360 -3.032 -11.964 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.824 -4.909 -10.344 1.00 0.00 C ATOM 0 H VAL A 29 4.656 -3.688 -12.567 1.00 0.00 H new ATOM 0 HA VAL A 29 5.326 -4.885 -9.949 1.00 0.00 H new ATOM 0 HB VAL A 29 6.681 -5.047 -12.140 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.326 -3.229 -12.430 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.660 -2.674 -12.718 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.478 -2.274 -11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.780 -5.068 -10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.959 -4.218 -9.512 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.448 -5.860 -9.968 1.00 0.00 H new ATOM 393 N ALA A 30 5.528 -2.866 -8.595 1.00 0.00 N ATOM 394 CA ALA A 30 5.484 -1.691 -7.741 1.00 0.00 C ATOM 395 C ALA A 30 6.687 -0.797 -8.050 1.00 0.00 C ATOM 396 O ALA A 30 7.833 -1.215 -7.892 1.00 0.00 O ATOM 397 CB ALA A 30 5.442 -2.126 -6.276 1.00 0.00 C ATOM 0 H ALA A 30 5.665 -3.748 -8.101 1.00 0.00 H new ATOM 0 HA ALA A 30 4.582 -1.109 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.409 -1.245 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.554 -2.734 -6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.333 -2.710 -6.044 1.00 0.00 H new ATOM 403 N LEU A 31 6.384 0.418 -8.484 1.00 0.00 N ATOM 404 CA LEU A 31 7.426 1.376 -8.816 1.00 0.00 C ATOM 405 C LEU A 31 8.033 1.931 -7.525 1.00 0.00 C ATOM 406 O LEU A 31 9.110 2.523 -7.546 1.00 0.00 O ATOM 407 CB LEU A 31 6.884 2.454 -9.755 1.00 0.00 C ATOM 408 CG LEU A 31 6.501 1.988 -11.161 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.033 3.165 -12.020 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.652 1.223 -11.818 1.00 0.00 C ATOM 0 H LEU A 31 5.432 0.761 -8.613 1.00 0.00 H new ATOM 0 HA LEU A 31 8.232 0.887 -9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.006 2.904 -9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.634 3.239 -9.846 1.00 0.00 H new ATOM 0 HG LEU A 31 5.662 1.297 -11.075 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.767 2.807 -13.014 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.163 3.630 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.836 3.898 -12.101 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.353 0.903 -12.816 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.525 1.871 -11.891 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.899 0.349 -11.216 1.00 0.00 H new ATOM 422 N TYR A 32 7.313 1.720 -6.433 1.00 0.00 N ATOM 423 CA TYR A 32 7.766 2.193 -5.136 1.00 0.00 C ATOM 424 C TYR A 32 7.077 1.429 -4.003 1.00 0.00 C ATOM 425 O TYR A 32 5.938 0.992 -4.147 1.00 0.00 O ATOM 426 CB TYR A 32 7.362 3.667 -5.060 1.00 0.00 C ATOM 427 CG TYR A 32 7.401 4.393 -6.406 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.590 4.910 -6.877 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.246 4.530 -7.149 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.626 5.593 -8.145 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.282 5.213 -8.416 1.00 0.00 C ATOM 432 CZ TYR A 32 7.470 5.711 -8.852 1.00 0.00 C ATOM 433 OH TYR A 32 7.504 6.356 -10.048 1.00 0.00 O ATOM 0 H TYR A 32 6.420 1.228 -6.420 1.00 0.00 H new ATOM 0 HA TYR A 32 8.841 2.048 -5.028 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.354 3.736 -4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.025 4.179 -4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.494 4.803 -6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.315 4.125 -6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.550 6.002 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.385 5.327 -9.007 1.00 0.00 H new ATOM 0 HH TYR A 32 6.606 6.363 -10.441 1.00 0.00 H new ATOM 443 N ASP A 33 7.799 1.293 -2.900 1.00 0.00 N ATOM 444 CA ASP A 33 7.272 0.590 -1.744 1.00 0.00 C ATOM 445 C ASP A 33 5.987 1.275 -1.277 1.00 0.00 C ATOM 446 O ASP A 33 5.895 2.502 -1.285 1.00 0.00 O ATOM 447 CB ASP A 33 8.269 0.615 -0.583 1.00 0.00 C ATOM 448 CG ASP A 33 9.721 0.327 -0.971 1.00 0.00 C ATOM 449 OD1 ASP A 33 10.390 1.286 -1.413 1.00 0.00 O ATOM 450 OD2 ASP A 33 10.129 -0.843 -0.815 1.00 0.00 O ATOM 0 H ASP A 33 8.744 1.658 -2.783 1.00 0.00 H new ATOM 0 HA ASP A 33 7.082 -0.443 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.224 1.594 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.956 -0.117 0.161 1.00 0.00 H new ATOM 455 N TYR A 34 5.025 0.453 -0.882 1.00 0.00 N ATOM 456 CA TYR A 34 3.749 0.965 -0.413 1.00 0.00 C ATOM 457 C TYR A 34 3.231 0.146 0.771 1.00 0.00 C ATOM 458 O TYR A 34 3.233 -1.083 0.729 1.00 0.00 O ATOM 459 CB TYR A 34 2.778 0.813 -1.586 1.00 0.00 C ATOM 460 CG TYR A 34 1.399 1.425 -1.334 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.227 2.793 -1.407 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.326 0.611 -1.037 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.071 3.369 -1.169 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.973 1.187 -0.800 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.107 2.537 -0.879 1.00 0.00 C ATOM 466 OH TYR A 34 -2.333 3.082 -0.655 1.00 0.00 O ATOM 0 H TYR A 34 5.104 -0.564 -0.877 1.00 0.00 H new ATOM 0 HA TYR A 34 3.848 1.999 -0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.215 1.279 -2.469 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.658 -0.247 -1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.066 3.431 -1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.460 -0.459 -0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.219 4.438 -1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.821 0.560 -0.565 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.562 3.686 -1.392 1.00 0.00 H new ATOM 476 N GLU A 35 2.800 0.860 1.800 1.00 0.00 N ATOM 477 CA GLU A 35 2.281 0.216 2.994 1.00 0.00 C ATOM 478 C GLU A 35 0.854 0.691 3.275 1.00 0.00 C ATOM 479 O GLU A 35 0.574 1.222 4.349 1.00 0.00 O ATOM 480 CB GLU A 35 3.192 0.472 4.196 1.00 0.00 C ATOM 481 CG GLU A 35 3.835 -0.827 4.684 1.00 0.00 C ATOM 482 CD GLU A 35 3.988 -0.826 6.206 1.00 0.00 C ATOM 483 OE1 GLU A 35 4.711 0.065 6.703 1.00 0.00 O ATOM 484 OE2 GLU A 35 3.378 -1.715 6.838 1.00 0.00 O ATOM 0 H GLU A 35 2.800 1.880 1.831 1.00 0.00 H new ATOM 0 HA GLU A 35 2.257 -0.860 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.969 1.186 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.616 0.922 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.225 -1.676 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.812 -0.951 4.217 1.00 0.00 H new ATOM 491 N ALA A 36 -0.011 0.482 2.293 1.00 0.00 N ATOM 492 CA ALA A 36 -1.401 0.883 2.422 1.00 0.00 C ATOM 493 C ALA A 36 -1.474 2.231 3.142 1.00 0.00 C ATOM 494 O ALA A 36 -1.706 2.283 4.348 1.00 0.00 O ATOM 495 CB ALA A 36 -2.182 -0.212 3.153 1.00 0.00 C ATOM 0 H ALA A 36 0.225 0.040 1.404 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.857 1.009 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.225 0.088 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.123 -1.141 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.754 -0.364 4.144 1.00 0.00 H new ATOM 501 N ILE A 37 -1.273 3.288 2.369 1.00 0.00 N ATOM 502 CA ILE A 37 -1.314 4.634 2.918 1.00 0.00 C ATOM 503 C ILE A 37 -2.686 4.882 3.548 1.00 0.00 C ATOM 504 O ILE A 37 -2.778 5.308 4.697 1.00 0.00 O ATOM 505 CB ILE A 37 -0.933 5.660 1.848 1.00 0.00 C ATOM 506 CG1 ILE A 37 0.508 5.451 1.377 1.00 0.00 C ATOM 507 CG2 ILE A 37 -1.172 7.086 2.348 1.00 0.00 C ATOM 508 CD1 ILE A 37 0.790 6.255 0.106 1.00 0.00 C ATOM 0 H ILE A 37 -1.081 3.241 1.368 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.575 4.745 3.711 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.579 5.509 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.199 5.753 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.683 4.392 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.894 7.796 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.226 7.213 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.567 7.266 3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.821 6.089 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.113 5.933 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.637 7.316 0.305 1.00 0.00 H new ATOM 520 N HIS A 38 -3.719 4.605 2.765 1.00 0.00 N ATOM 521 CA HIS A 38 -5.082 4.793 3.232 1.00 0.00 C ATOM 522 C HIS A 38 -5.800 3.443 3.276 1.00 0.00 C ATOM 523 O HIS A 38 -5.308 2.456 2.733 1.00 0.00 O ATOM 524 CB HIS A 38 -5.813 5.826 2.372 1.00 0.00 C ATOM 525 CG HIS A 38 -5.351 5.866 0.935 1.00 0.00 C ATOM 526 ND1 HIS A 38 -4.328 6.691 0.500 1.00 0.00 N ATOM 527 CD2 HIS A 38 -5.782 5.176 -0.159 1.00 0.00 C ATOM 528 CE1 HIS A 38 -4.161 6.497 -0.801 1.00 0.00 C ATOM 529 NE2 HIS A 38 -5.063 5.559 -1.207 1.00 0.00 N ATOM 0 H HIS A 38 -3.639 4.252 1.811 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.071 5.193 4.246 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.881 5.611 2.394 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.677 6.813 2.814 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -6.574 4.442 -0.171 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.437 6.995 -1.429 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.168 5.209 -2.159 1.00 0.00 H new ATOM 537 N HIS A 39 -6.955 3.444 3.927 1.00 0.00 N ATOM 538 CA HIS A 39 -7.746 2.231 4.048 1.00 0.00 C ATOM 539 C HIS A 39 -8.157 1.745 2.657 1.00 0.00 C ATOM 540 O HIS A 39 -8.021 2.474 1.675 1.00 0.00 O ATOM 541 CB HIS A 39 -8.942 2.454 4.976 1.00 0.00 C ATOM 542 CG HIS A 39 -9.055 1.438 6.088 1.00 0.00 C ATOM 543 ND1 HIS A 39 -8.503 1.635 7.341 1.00 0.00 N ATOM 544 CD2 HIS A 39 -9.660 0.216 6.121 1.00 0.00 C ATOM 545 CE1 HIS A 39 -8.770 0.573 8.088 1.00 0.00 C ATOM 546 NE2 HIS A 39 -9.487 -0.305 7.329 1.00 0.00 N ATOM 0 H HIS A 39 -7.361 4.265 4.376 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.146 1.445 4.506 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.869 3.450 5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.857 2.433 4.384 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.190 -0.249 5.303 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.472 0.428 9.116 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.833 -1.213 7.639 1.00 0.00 H new ATOM 554 N GLU A 40 -8.652 0.517 2.616 1.00 0.00 N ATOM 555 CA GLU A 40 -9.084 -0.076 1.362 1.00 0.00 C ATOM 556 C GLU A 40 -7.953 -0.022 0.333 1.00 0.00 C ATOM 557 O GLU A 40 -8.140 0.474 -0.777 1.00 0.00 O ATOM 558 CB GLU A 40 -10.340 0.618 0.832 1.00 0.00 C ATOM 559 CG GLU A 40 -11.497 -0.373 0.692 1.00 0.00 C ATOM 560 CD GLU A 40 -12.844 0.323 0.894 1.00 0.00 C ATOM 561 OE1 GLU A 40 -12.975 1.015 1.927 1.00 0.00 O ATOM 562 OE2 GLU A 40 -13.712 0.148 0.012 1.00 0.00 O ATOM 0 H GLU A 40 -8.764 -0.084 3.432 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.335 -1.121 1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.627 1.424 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.127 1.073 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.467 -0.835 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.385 -1.174 1.423 1.00 0.00 H new ATOM 569 N ASP A 41 -6.802 -0.541 0.737 1.00 0.00 N ATOM 570 CA ASP A 41 -5.641 -0.559 -0.136 1.00 0.00 C ATOM 571 C ASP A 41 -4.688 -1.668 0.314 1.00 0.00 C ATOM 572 O ASP A 41 -4.576 -1.950 1.506 1.00 0.00 O ATOM 573 CB ASP A 41 -4.885 0.769 -0.073 1.00 0.00 C ATOM 574 CG ASP A 41 -5.071 1.676 -1.291 1.00 0.00 C ATOM 575 OD1 ASP A 41 -4.386 1.416 -2.304 1.00 0.00 O ATOM 576 OD2 ASP A 41 -5.894 2.611 -1.181 1.00 0.00 O ATOM 0 H ASP A 41 -6.649 -0.952 1.658 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.987 -0.729 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.205 1.311 0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.822 0.560 0.047 1.00 0.00 H new ATOM 581 N LEU A 42 -4.025 -2.268 -0.663 1.00 0.00 N ATOM 582 CA LEU A 42 -3.084 -3.339 -0.383 1.00 0.00 C ATOM 583 C LEU A 42 -1.682 -2.750 -0.217 1.00 0.00 C ATOM 584 O LEU A 42 -1.373 -1.703 -0.783 1.00 0.00 O ATOM 585 CB LEU A 42 -3.171 -4.423 -1.458 1.00 0.00 C ATOM 586 CG LEU A 42 -2.501 -5.758 -1.122 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.393 -6.607 -0.215 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.100 -6.506 -2.395 1.00 0.00 C ATOM 0 H LEU A 42 -4.121 -2.033 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.337 -3.832 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.223 -4.611 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.724 -4.035 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.585 -5.550 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.893 -7.550 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.585 -6.069 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.338 -6.808 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.626 -7.451 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.988 -6.702 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.400 -5.899 -2.969 1.00 0.00 H new ATOM 600 N SER A 43 -0.871 -3.449 0.564 1.00 0.00 N ATOM 601 CA SER A 43 0.492 -3.009 0.813 1.00 0.00 C ATOM 602 C SER A 43 1.476 -3.901 0.055 1.00 0.00 C ATOM 603 O SER A 43 1.324 -5.121 0.035 1.00 0.00 O ATOM 604 CB SER A 43 0.810 -3.018 2.309 1.00 0.00 C ATOM 605 OG SER A 43 0.529 -4.281 2.907 1.00 0.00 O ATOM 0 H SER A 43 -1.131 -4.317 1.033 1.00 0.00 H new ATOM 0 HA SER A 43 0.591 -1.984 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.862 -2.772 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.228 -2.243 2.808 1.00 0.00 H new ATOM 0 HG SER A 43 0.747 -4.247 3.862 1.00 0.00 H new ATOM 611 N PHE A 44 2.466 -3.258 -0.549 1.00 0.00 N ATOM 612 CA PHE A 44 3.475 -3.979 -1.305 1.00 0.00 C ATOM 613 C PHE A 44 4.839 -3.296 -1.189 1.00 0.00 C ATOM 614 O PHE A 44 5.001 -2.353 -0.416 1.00 0.00 O ATOM 615 CB PHE A 44 3.032 -3.962 -2.770 1.00 0.00 C ATOM 616 CG PHE A 44 2.537 -2.599 -3.255 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.420 -1.690 -3.747 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.213 -2.296 -3.194 1.00 0.00 C ATOM 619 CE1 PHE A 44 2.960 -0.424 -4.197 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.753 -1.029 -3.643 1.00 0.00 C ATOM 621 CZ PHE A 44 1.636 -0.121 -4.136 1.00 0.00 C ATOM 0 H PHE A 44 2.590 -2.246 -0.530 1.00 0.00 H new ATOM 0 HA PHE A 44 3.574 -4.994 -0.921 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.868 -4.277 -3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.237 -4.695 -2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.472 -1.931 -3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.511 -3.018 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.662 0.298 -4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.298 -0.787 -3.593 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.286 0.841 -4.479 1.00 0.00 H new ATOM 631 N GLN A 45 5.785 -3.798 -1.969 1.00 0.00 N ATOM 632 CA GLN A 45 7.130 -3.248 -1.963 1.00 0.00 C ATOM 633 C GLN A 45 7.583 -2.939 -3.392 1.00 0.00 C ATOM 634 O GLN A 45 7.054 -3.500 -4.349 1.00 0.00 O ATOM 635 CB GLN A 45 8.108 -4.199 -1.271 1.00 0.00 C ATOM 636 CG GLN A 45 7.950 -4.138 0.249 1.00 0.00 C ATOM 637 CD GLN A 45 8.634 -5.331 0.921 1.00 0.00 C ATOM 638 OE1 GLN A 45 8.954 -6.329 0.295 1.00 0.00 O ATOM 639 NE2 GLN A 45 8.841 -5.172 2.225 1.00 0.00 N ATOM 0 H GLN A 45 5.647 -4.580 -2.609 1.00 0.00 H new ATOM 0 HA GLN A 45 7.119 -2.317 -1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.936 -5.218 -1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.130 -3.937 -1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.379 -3.209 0.626 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.891 -4.128 0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.548 -4.311 2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.293 -5.911 2.764 1.00 0.00 H new ATOM 648 N LYS A 46 8.559 -2.048 -3.489 1.00 0.00 N ATOM 649 CA LYS A 46 9.089 -1.657 -4.784 1.00 0.00 C ATOM 650 C LYS A 46 9.739 -2.871 -5.451 1.00 0.00 C ATOM 651 O LYS A 46 10.844 -3.268 -5.086 1.00 0.00 O ATOM 652 CB LYS A 46 10.029 -0.459 -4.639 1.00 0.00 C ATOM 653 CG LYS A 46 10.472 0.061 -6.008 1.00 0.00 C ATOM 654 CD LYS A 46 11.895 0.619 -5.949 1.00 0.00 C ATOM 655 CE LYS A 46 12.647 0.342 -7.253 1.00 0.00 C ATOM 656 NZ LYS A 46 14.056 -0.014 -6.972 1.00 0.00 N ATOM 0 H LYS A 46 8.996 -1.586 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 46 8.285 -1.324 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.527 0.337 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.903 -0.747 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.424 -0.745 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.786 0.839 -6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.861 1.693 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.431 0.170 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.161 -0.470 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.609 1.221 -7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.552 -0.199 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.520 0.773 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.087 -0.866 -6.377 1.00 0.00 H new ATOM 670 N GLY A 47 9.024 -3.428 -6.418 1.00 0.00 N ATOM 671 CA GLY A 47 9.517 -4.589 -7.139 1.00 0.00 C ATOM 672 C GLY A 47 8.568 -5.777 -6.980 1.00 0.00 C ATOM 673 O GLY A 47 8.833 -6.863 -7.496 1.00 0.00 O ATOM 0 H GLY A 47 8.107 -3.097 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.627 -4.346 -8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.507 -4.858 -6.769 1.00 0.00 H new ATOM 677 N ASP A 48 7.480 -5.533 -6.265 1.00 0.00 N ATOM 678 CA ASP A 48 6.489 -6.570 -6.031 1.00 0.00 C ATOM 679 C ASP A 48 5.489 -6.585 -7.189 1.00 0.00 C ATOM 680 O ASP A 48 5.035 -5.532 -7.636 1.00 0.00 O ATOM 681 CB ASP A 48 5.711 -6.308 -4.739 1.00 0.00 C ATOM 682 CG ASP A 48 5.531 -7.528 -3.835 1.00 0.00 C ATOM 683 OD1 ASP A 48 5.125 -8.581 -4.376 1.00 0.00 O ATOM 684 OD2 ASP A 48 5.802 -7.383 -2.623 1.00 0.00 O ATOM 0 H ASP A 48 7.263 -4.632 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 48 7.012 -7.523 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.224 -5.529 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.727 -5.918 -4.998 1.00 0.00 H new ATOM 689 N GLN A 49 5.176 -7.789 -7.643 1.00 0.00 N ATOM 690 CA GLN A 49 4.237 -7.954 -8.741 1.00 0.00 C ATOM 691 C GLN A 49 2.861 -8.355 -8.207 1.00 0.00 C ATOM 692 O GLN A 49 2.756 -9.204 -7.322 1.00 0.00 O ATOM 693 CB GLN A 49 4.753 -8.980 -9.752 1.00 0.00 C ATOM 694 CG GLN A 49 6.090 -8.537 -10.349 1.00 0.00 C ATOM 695 CD GLN A 49 5.974 -8.329 -11.861 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.496 -9.089 -12.660 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.260 -7.262 -12.207 1.00 0.00 N ATOM 0 H GLN A 49 5.555 -8.660 -7.271 1.00 0.00 H new ATOM 0 HA GLN A 49 4.140 -6.999 -9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.871 -9.948 -9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.021 -9.111 -10.549 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.415 -7.611 -9.875 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.852 -9.287 -10.139 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.850 -6.667 -11.487 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.122 -7.038 -13.193 1.00 0.00 H new ATOM 706 N MET A 50 1.838 -7.725 -8.766 1.00 0.00 N ATOM 707 CA MET A 50 0.472 -8.004 -8.357 1.00 0.00 C ATOM 708 C MET A 50 -0.405 -8.336 -9.566 1.00 0.00 C ATOM 709 O MET A 50 -0.164 -7.842 -10.667 1.00 0.00 O ATOM 710 CB MET A 50 -0.102 -6.788 -7.628 1.00 0.00 C ATOM 711 CG MET A 50 0.794 -6.378 -6.457 1.00 0.00 C ATOM 712 SD MET A 50 0.366 -4.736 -5.906 1.00 0.00 S ATOM 713 CE MET A 50 1.851 -3.857 -6.363 1.00 0.00 C ATOM 0 H MET A 50 1.928 -7.022 -9.499 1.00 0.00 H new ATOM 0 HA MET A 50 0.481 -8.866 -7.691 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.201 -5.955 -8.324 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.103 -7.018 -7.262 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.681 -7.087 -5.637 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.840 -6.407 -6.761 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.752 -2.807 -6.087 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.705 -4.290 -5.842 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.004 -3.936 -7.439 1.00 0.00 H new ATOM 723 N VAL A 51 -1.405 -9.169 -9.321 1.00 0.00 N ATOM 724 CA VAL A 51 -2.320 -9.571 -10.375 1.00 0.00 C ATOM 725 C VAL A 51 -3.550 -8.662 -10.353 1.00 0.00 C ATOM 726 O VAL A 51 -4.503 -8.919 -9.619 1.00 0.00 O ATOM 727 CB VAL A 51 -2.670 -11.053 -10.228 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.789 -11.451 -11.192 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.433 -11.931 -10.431 1.00 0.00 C ATOM 0 H VAL A 51 -1.602 -9.577 -8.407 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.849 -9.457 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.031 -11.212 -9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.018 -12.509 -11.067 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.680 -10.859 -10.980 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.468 -11.268 -12.217 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.709 -12.980 -10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.029 -11.765 -11.430 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.679 -11.675 -9.687 1.00 0.00 H new ATOM 739 N VAL A 52 -3.489 -7.617 -11.166 1.00 0.00 N ATOM 740 CA VAL A 52 -4.585 -6.668 -11.249 1.00 0.00 C ATOM 741 C VAL A 52 -5.849 -7.394 -11.716 1.00 0.00 C ATOM 742 O VAL A 52 -5.881 -7.946 -12.815 1.00 0.00 O ATOM 743 CB VAL A 52 -4.198 -5.498 -12.156 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.442 -4.773 -12.675 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.261 -4.530 -11.432 1.00 0.00 C ATOM 0 H VAL A 52 -2.697 -7.407 -11.773 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.797 -6.244 -10.268 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.663 -5.902 -13.015 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.140 -3.946 -13.317 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.057 -5.469 -13.245 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.016 -4.387 -11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.001 -3.708 -12.099 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.759 -4.135 -10.546 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.354 -5.056 -11.134 1.00 0.00 H new ATOM 755 N LEU A 53 -6.858 -7.370 -10.858 1.00 0.00 N ATOM 756 CA LEU A 53 -8.120 -8.019 -11.169 1.00 0.00 C ATOM 757 C LEU A 53 -9.121 -6.972 -11.659 1.00 0.00 C ATOM 758 O LEU A 53 -9.704 -7.119 -12.732 1.00 0.00 O ATOM 759 CB LEU A 53 -8.616 -8.830 -9.969 1.00 0.00 C ATOM 760 CG LEU A 53 -7.557 -9.653 -9.232 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.124 -10.243 -7.940 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.967 -10.731 -10.144 1.00 0.00 C ATOM 0 H LEU A 53 -6.827 -6.911 -9.948 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.989 -8.738 -11.978 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.075 -8.144 -9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.400 -9.506 -10.311 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.741 -8.987 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.352 -10.823 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.457 -9.436 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.968 -10.891 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.217 -11.301 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.760 -11.400 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.503 -10.260 -11.011 1.00 0.00 H new ATOM 774 N GLU A 54 -9.290 -5.937 -10.848 1.00 0.00 N ATOM 775 CA GLU A 54 -10.210 -4.865 -11.186 1.00 0.00 C ATOM 776 C GLU A 54 -9.456 -3.540 -11.319 1.00 0.00 C ATOM 777 O GLU A 54 -8.513 -3.280 -10.574 1.00 0.00 O ATOM 778 CB GLU A 54 -11.329 -4.756 -10.148 1.00 0.00 C ATOM 779 CG GLU A 54 -12.528 -5.621 -10.542 1.00 0.00 C ATOM 780 CD GLU A 54 -12.997 -5.296 -11.961 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.136 -4.088 -12.250 1.00 0.00 O ATOM 782 OE2 GLU A 54 -13.206 -6.264 -12.725 1.00 0.00 O ATOM 0 H GLU A 54 -8.805 -5.819 -9.958 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.670 -5.097 -12.146 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.956 -5.067 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.642 -3.716 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.257 -6.675 -10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.345 -5.458 -9.839 1.00 0.00 H new ATOM 789 N GLU A 55 -9.899 -2.737 -12.276 1.00 0.00 N ATOM 790 CA GLU A 55 -9.278 -1.446 -12.517 1.00 0.00 C ATOM 791 C GLU A 55 -10.347 -0.366 -12.688 1.00 0.00 C ATOM 792 O GLU A 55 -10.785 -0.092 -13.804 1.00 0.00 O ATOM 793 CB GLU A 55 -8.354 -1.501 -13.736 1.00 0.00 C ATOM 794 CG GLU A 55 -7.912 -0.097 -14.153 1.00 0.00 C ATOM 795 CD GLU A 55 -8.407 0.237 -15.562 1.00 0.00 C ATOM 796 OE1 GLU A 55 -9.521 -0.221 -15.896 1.00 0.00 O ATOM 797 OE2 GLU A 55 -7.660 0.945 -16.272 1.00 0.00 O ATOM 0 H GLU A 55 -10.681 -2.956 -12.893 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.668 -1.191 -11.651 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.479 -2.108 -13.506 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.869 -1.985 -14.566 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.299 0.635 -13.444 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.825 -0.029 -14.120 1.00 0.00 H new ATOM 804 N SER A 56 -10.738 0.218 -11.564 1.00 0.00 N ATOM 805 CA SER A 56 -11.748 1.262 -11.576 1.00 0.00 C ATOM 806 C SER A 56 -11.282 2.433 -12.444 1.00 0.00 C ATOM 807 O SER A 56 -11.851 2.689 -13.504 1.00 0.00 O ATOM 808 CB SER A 56 -12.057 1.745 -10.157 1.00 0.00 C ATOM 809 OG SER A 56 -10.950 2.424 -9.570 1.00 0.00 O ATOM 0 H SER A 56 -10.373 -0.012 -10.640 1.00 0.00 H new ATOM 0 HA SER A 56 -12.663 0.847 -11.998 1.00 0.00 H new ATOM 0 HB2 SER A 56 -12.919 2.411 -10.181 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.330 0.892 -9.535 1.00 0.00 H new ATOM 0 HG SER A 56 -11.039 3.388 -9.722 1.00 0.00 H new ATOM 815 N GLY A 57 -10.251 3.111 -11.963 1.00 0.00 N ATOM 816 CA GLY A 57 -9.702 4.248 -12.681 1.00 0.00 C ATOM 817 C GLY A 57 -8.211 4.420 -12.380 1.00 0.00 C ATOM 818 O GLY A 57 -7.379 4.348 -13.282 1.00 0.00 O ATOM 0 H GLY A 57 -9.781 2.895 -11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.847 4.110 -13.753 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.240 5.154 -12.401 1.00 0.00 H new ATOM 822 N GLU A 58 -7.921 4.645 -11.107 1.00 0.00 N ATOM 823 CA GLU A 58 -6.546 4.828 -10.675 1.00 0.00 C ATOM 824 C GLU A 58 -6.070 3.606 -9.887 1.00 0.00 C ATOM 825 O GLU A 58 -5.153 2.906 -10.313 1.00 0.00 O ATOM 826 CB GLU A 58 -6.397 6.106 -9.846 1.00 0.00 C ATOM 827 CG GLU A 58 -6.374 7.342 -10.746 1.00 0.00 C ATOM 828 CD GLU A 58 -5.315 7.204 -11.842 1.00 0.00 C ATOM 829 OE1 GLU A 58 -4.325 6.485 -11.587 1.00 0.00 O ATOM 830 OE2 GLU A 58 -5.521 7.819 -12.911 1.00 0.00 O ATOM 0 H GLU A 58 -8.614 4.705 -10.361 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.919 4.933 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.222 6.183 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.478 6.060 -9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.355 7.484 -11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.168 8.229 -10.146 1.00 0.00 H new ATOM 837 N TRP A 59 -6.716 3.385 -8.750 1.00 0.00 N ATOM 838 CA TRP A 59 -6.369 2.260 -7.899 1.00 0.00 C ATOM 839 C TRP A 59 -7.019 1.005 -8.487 1.00 0.00 C ATOM 840 O TRP A 59 -8.182 1.033 -8.885 1.00 0.00 O ATOM 841 CB TRP A 59 -6.780 2.522 -6.450 1.00 0.00 C ATOM 842 CG TRP A 59 -6.258 3.845 -5.884 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.672 5.086 -6.171 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.200 4.008 -4.915 1.00 0.00 C ATOM 845 NE1 TRP A 59 -5.961 6.033 -5.463 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.038 5.356 -4.674 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.407 3.046 -4.265 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.090 5.866 -3.780 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.463 3.572 -3.374 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.288 4.928 -3.120 1.00 0.00 C ATOM 0 H TRP A 59 -7.477 3.966 -8.399 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.289 2.114 -7.873 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.868 2.515 -6.385 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.418 1.704 -5.827 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.463 5.317 -6.869 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.089 7.044 -5.510 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.517 1.986 -4.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.983 6.927 -3.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.827 2.876 -2.848 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.537 5.256 -2.417 1.00 0.00 H new ATOM 861 N TRP A 60 -6.239 -0.065 -8.523 1.00 0.00 N ATOM 862 CA TRP A 60 -6.723 -1.327 -9.055 1.00 0.00 C ATOM 863 C TRP A 60 -6.618 -2.379 -7.949 1.00 0.00 C ATOM 864 O TRP A 60 -5.759 -2.281 -7.074 1.00 0.00 O ATOM 865 CB TRP A 60 -5.961 -1.717 -10.324 1.00 0.00 C ATOM 866 CG TRP A 60 -5.734 -0.556 -11.294 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.503 0.526 -11.481 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.629 -0.403 -12.209 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.976 1.360 -12.445 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.800 0.777 -12.903 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.521 -1.237 -12.444 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.903 1.232 -13.876 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.633 -0.767 -13.420 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.791 0.419 -14.127 1.00 0.00 C ATOM 0 H TRP A 60 -5.274 -0.084 -8.192 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.767 -1.242 -9.357 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.995 -2.135 -10.041 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.511 -2.505 -10.838 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.420 0.720 -10.944 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.376 2.243 -12.763 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.367 -2.166 -11.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.060 2.160 -14.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.764 -1.369 -13.639 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.060 0.712 -14.866 1.00 0.00 H new ATOM 885 N LYS A 61 -7.505 -3.360 -8.023 1.00 0.00 N ATOM 886 CA LYS A 61 -7.523 -4.428 -7.039 1.00 0.00 C ATOM 887 C LYS A 61 -6.700 -5.608 -7.558 1.00 0.00 C ATOM 888 O LYS A 61 -7.197 -6.423 -8.335 1.00 0.00 O ATOM 889 CB LYS A 61 -8.963 -4.797 -6.673 1.00 0.00 C ATOM 890 CG LYS A 61 -8.995 -5.866 -5.579 1.00 0.00 C ATOM 891 CD LYS A 61 -10.011 -6.961 -5.914 1.00 0.00 C ATOM 892 CE LYS A 61 -10.676 -7.497 -4.644 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.079 -7.880 -4.917 1.00 0.00 N ATOM 0 H LYS A 61 -8.217 -3.437 -8.750 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.057 -4.097 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.495 -3.908 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.485 -5.162 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.004 -6.306 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.251 -5.407 -4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.771 -6.564 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.513 -7.776 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.123 -8.360 -4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.645 -6.738 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.516 -8.242 -4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.607 -7.048 -5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.101 -8.620 -5.648 1.00 0.00 H new ATOM 907 N ALA A 62 -5.455 -5.664 -7.109 1.00 0.00 N ATOM 908 CA ALA A 62 -4.558 -6.731 -7.518 1.00 0.00 C ATOM 909 C ALA A 62 -4.193 -7.581 -6.299 1.00 0.00 C ATOM 910 O ALA A 62 -4.332 -7.133 -5.162 1.00 0.00 O ATOM 911 CB ALA A 62 -3.327 -6.129 -8.199 1.00 0.00 C ATOM 0 H ALA A 62 -5.046 -4.987 -6.465 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.044 -7.385 -8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.653 -6.929 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.638 -5.560 -9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.812 -5.469 -7.501 1.00 0.00 H new ATOM 917 N ARG A 63 -3.733 -8.791 -6.578 1.00 0.00 N ATOM 918 CA ARG A 63 -3.347 -9.708 -5.518 1.00 0.00 C ATOM 919 C ARG A 63 -1.825 -9.869 -5.484 1.00 0.00 C ATOM 920 O ARG A 63 -1.213 -10.231 -6.487 1.00 0.00 O ATOM 921 CB ARG A 63 -3.994 -11.081 -5.715 1.00 0.00 C ATOM 922 CG ARG A 63 -3.192 -12.171 -5.002 1.00 0.00 C ATOM 923 CD ARG A 63 -2.402 -13.015 -6.005 1.00 0.00 C ATOM 924 NE ARG A 63 -3.332 -13.724 -6.912 1.00 0.00 N ATOM 925 CZ ARG A 63 -3.034 -14.863 -7.552 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.829 -15.428 -7.389 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.938 -15.437 -8.357 1.00 0.00 N ATOM 0 H ARG A 63 -3.619 -9.158 -7.523 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.693 -9.288 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.014 -11.065 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.057 -11.308 -6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.508 -11.715 -4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.867 -12.811 -4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.733 -12.377 -6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.778 -13.735 -5.475 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.257 -13.321 -7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.139 -14.991 -6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.602 -16.295 -7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.854 -15.007 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.710 -16.304 -8.844 1.00 0.00 H new ATOM 941 N SER A 64 -1.260 -9.591 -4.318 1.00 0.00 N ATOM 942 CA SER A 64 0.178 -9.700 -4.139 1.00 0.00 C ATOM 943 C SER A 64 0.646 -11.109 -4.512 1.00 0.00 C ATOM 944 O SER A 64 0.103 -12.098 -4.020 1.00 0.00 O ATOM 945 CB SER A 64 0.581 -9.370 -2.701 1.00 0.00 C ATOM 946 OG SER A 64 1.840 -8.707 -2.639 1.00 0.00 O ATOM 0 H SER A 64 -1.772 -9.291 -3.488 1.00 0.00 H new ATOM 0 HA SER A 64 0.660 -8.977 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.183 -8.740 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.626 -10.289 -2.117 1.00 0.00 H new ATOM 0 HG SER A 64 2.061 -8.512 -1.704 1.00 0.00 H new ATOM 952 N LEU A 65 1.649 -11.155 -5.377 1.00 0.00 N ATOM 953 CA LEU A 65 2.195 -12.426 -5.821 1.00 0.00 C ATOM 954 C LEU A 65 3.256 -12.896 -4.823 1.00 0.00 C ATOM 955 O LEU A 65 4.047 -13.788 -5.126 1.00 0.00 O ATOM 956 CB LEU A 65 2.709 -12.316 -7.258 1.00 0.00 C ATOM 957 CG LEU A 65 1.656 -12.455 -8.360 1.00 0.00 C ATOM 958 CD1 LEU A 65 2.282 -12.267 -9.743 1.00 0.00 C ATOM 959 CD2 LEU A 65 0.914 -13.787 -8.242 1.00 0.00 C ATOM 0 H LEU A 65 2.097 -10.333 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 65 1.416 -13.188 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.202 -11.351 -7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.469 -13.082 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 65 0.918 -11.663 -8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.512 -12.371 -10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.728 -11.274 -9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.053 -13.022 -9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.171 -13.861 -9.036 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.625 -14.609 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.416 -13.842 -7.274 1.00 0.00 H new ATOM 971 N ALA A 66 3.238 -12.275 -3.652 1.00 0.00 N ATOM 972 CA ALA A 66 4.187 -12.620 -2.609 1.00 0.00 C ATOM 973 C ALA A 66 3.430 -13.162 -1.394 1.00 0.00 C ATOM 974 O ALA A 66 3.932 -14.030 -0.683 1.00 0.00 O ATOM 975 CB ALA A 66 5.036 -11.394 -2.266 1.00 0.00 C ATOM 0 H ALA A 66 2.581 -11.535 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 66 4.865 -13.402 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.749 -11.653 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.576 -11.065 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.389 -10.590 -1.916 1.00 0.00 H new ATOM 981 N THR A 67 2.235 -12.627 -1.196 1.00 0.00 N ATOM 982 CA THR A 67 1.403 -13.047 -0.081 1.00 0.00 C ATOM 983 C THR A 67 -0.001 -13.410 -0.569 1.00 0.00 C ATOM 984 O THR A 67 -0.914 -13.592 0.234 1.00 0.00 O ATOM 985 CB THR A 67 1.413 -11.929 0.964 1.00 0.00 C ATOM 986 OG1 THR A 67 1.075 -10.760 0.223 1.00 0.00 O ATOM 987 CG2 THR A 67 2.817 -11.639 1.497 1.00 0.00 C ATOM 0 H THR A 67 1.823 -11.906 -1.788 1.00 0.00 H new ATOM 0 HA THR A 67 1.794 -13.951 0.385 1.00 0.00 H new ATOM 0 HB THR A 67 0.759 -12.200 1.793 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.618 -10.006 0.535 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.768 -10.838 2.235 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.222 -12.537 1.963 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.463 -11.334 0.674 1.00 0.00 H new ATOM 995 N ARG A 68 -0.130 -13.505 -1.885 1.00 0.00 N ATOM 996 CA ARG A 68 -1.407 -13.842 -2.489 1.00 0.00 C ATOM 997 C ARG A 68 -2.529 -13.020 -1.854 1.00 0.00 C ATOM 998 O ARG A 68 -3.678 -13.456 -1.816 1.00 0.00 O ATOM 999 CB ARG A 68 -1.718 -15.331 -2.325 1.00 0.00 C ATOM 1000 CG ARG A 68 -1.962 -15.681 -0.855 1.00 0.00 C ATOM 1001 CD ARG A 68 -2.684 -17.023 -0.723 1.00 0.00 C ATOM 1002 NE ARG A 68 -1.715 -18.087 -0.379 1.00 0.00 N ATOM 1003 CZ ARG A 68 -2.058 -19.287 0.107 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -3.350 -19.583 0.310 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -1.112 -20.192 0.390 1.00 0.00 N ATOM 0 H ARG A 68 0.629 -13.354 -2.549 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.342 -13.611 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.597 -15.590 -2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.889 -15.924 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.011 -15.722 -0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.555 -14.897 -0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.453 -16.957 0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.188 -17.267 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.723 -17.894 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.071 -18.894 0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.612 -20.497 0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.129 -19.968 0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.375 -21.106 0.760 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.157 -11.843 -1.370 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.118 -10.956 -0.738 1.00 0.00 C ATOM 1021 C LYS A 69 -4.061 -10.390 -1.802 1.00 0.00 C ATOM 1022 O LYS A 69 -3.921 -10.696 -2.985 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.398 -9.882 0.080 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.095 -10.381 1.494 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.027 -9.513 2.164 1.00 0.00 C ATOM 1026 CE LYS A 69 -0.645 -10.075 3.535 1.00 0.00 C ATOM 1027 NZ LYS A 69 -1.495 -9.484 4.592 1.00 0.00 N ATOM 0 H LYS A 69 -1.203 -11.484 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.734 -11.506 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.469 -9.602 -0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.015 -8.985 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.007 -10.368 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.755 -11.416 1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.143 -9.463 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.398 -8.494 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.757 -11.159 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.404 -9.863 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.223 -9.876 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.368 -8.452 4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.492 -9.708 4.401 1.00 0.00 H new ATOM 1041 N GLU A 70 -4.999 -9.577 -1.343 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.965 -8.966 -2.241 1.00 0.00 C ATOM 1043 C GLU A 70 -6.425 -7.615 -1.687 1.00 0.00 C ATOM 1044 O GLU A 70 -6.917 -7.536 -0.562 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.157 -9.895 -2.479 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.855 -10.898 -3.595 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.995 -11.906 -3.747 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.593 -12.250 -2.704 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.244 -12.312 -4.903 1.00 0.00 O ATOM 0 H GLU A 70 -5.112 -9.326 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.481 -8.797 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.396 -10.429 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.035 -9.306 -2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.706 -10.367 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.926 -11.424 -3.375 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.247 -6.585 -2.502 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.638 -5.243 -2.108 1.00 0.00 C ATOM 1058 C GLY A 71 -6.333 -4.236 -3.218 1.00 0.00 C ATOM 1059 O GLY A 71 -5.640 -4.558 -4.182 1.00 0.00 O ATOM 0 H GLY A 71 -5.837 -6.654 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.703 -5.224 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.109 -4.958 -1.198 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.866 -3.034 -3.045 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.661 -1.977 -4.021 1.00 0.00 C ATOM 1065 C TYR A 72 -5.245 -1.408 -3.922 1.00 0.00 C ATOM 1066 O TYR A 72 -4.729 -1.205 -2.825 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.666 -0.878 -3.670 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.121 -1.250 -3.958 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.452 -1.874 -5.144 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.104 -0.961 -3.034 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.822 -2.224 -5.417 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.474 -1.311 -3.306 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.766 -1.925 -4.484 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.060 -2.255 -4.740 1.00 0.00 O ATOM 0 H TYR A 72 -7.439 -2.769 -2.244 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.795 -2.358 -5.034 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.567 -0.634 -2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.414 0.023 -4.230 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.683 -2.100 -5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.846 -0.472 -2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.094 -2.713 -6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.252 -1.091 -2.590 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.397 -1.708 -5.480 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.655 -1.167 -5.085 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.309 -0.625 -5.143 1.00 0.00 C ATOM 1086 C ILE A 73 -3.269 0.525 -6.152 1.00 0.00 C ATOM 1087 O ILE A 73 -4.041 0.541 -7.110 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.296 -1.734 -5.435 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.677 -2.503 -6.703 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.137 -2.662 -4.230 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.544 -2.458 -7.731 1.00 0.00 C ATOM 0 H ILE A 73 -5.086 -1.338 -5.994 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.024 -0.211 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.326 -1.272 -5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.903 -3.539 -6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.582 -2.075 -7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.412 -3.441 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.788 -2.087 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.098 -3.120 -3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.839 -3.011 -8.622 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.337 -1.422 -7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.648 -2.909 -7.305 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.340 1.484 -5.896 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.189 2.633 -6.770 1.00 0.00 C ATOM 1105 C PRO A 74 -1.482 2.246 -8.070 1.00 0.00 C ATOM 1106 O PRO A 74 -0.540 1.455 -8.056 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.412 3.651 -5.952 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.755 2.868 -4.827 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.409 1.497 -4.770 1.00 0.00 C ATOM 0 HA PRO A 74 -3.146 3.045 -7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.665 4.156 -6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.074 4.422 -5.557 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.316 2.773 -5.003 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.877 3.389 -3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.669 0.701 -4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.929 1.345 -3.824 1.00 0.00 H new ATOM 1117 N SER A 75 -1.963 2.821 -9.162 1.00 0.00 N ATOM 1118 CA SER A 75 -1.389 2.545 -10.469 1.00 0.00 C ATOM 1119 C SER A 75 -0.142 3.406 -10.684 1.00 0.00 C ATOM 1120 O SER A 75 0.793 2.990 -11.366 1.00 0.00 O ATOM 1121 CB SER A 75 -2.407 2.797 -11.582 1.00 0.00 C ATOM 1122 OG SER A 75 -1.806 3.391 -12.731 1.00 0.00 O ATOM 0 H SER A 75 -2.744 3.477 -9.169 1.00 0.00 H new ATOM 0 HA SER A 75 -1.107 1.493 -10.504 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.876 1.855 -11.865 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.198 3.448 -11.209 1.00 0.00 H new ATOM 0 HG SER A 75 -2.136 2.946 -13.540 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.169 4.590 -10.090 1.00 0.00 N ATOM 1129 CA ASN A 76 0.947 5.513 -10.208 1.00 0.00 C ATOM 1130 C ASN A 76 2.157 4.939 -9.469 1.00 0.00 C ATOM 1131 O ASN A 76 3.260 5.475 -9.567 1.00 0.00 O ATOM 1132 CB ASN A 76 0.609 6.867 -9.584 1.00 0.00 C ATOM 1133 CG ASN A 76 0.643 6.791 -8.056 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.607 5.726 -7.461 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.714 7.976 -7.456 1.00 0.00 N ATOM 0 H ASN A 76 -0.947 4.932 -9.525 1.00 0.00 H new ATOM 0 HA ASN A 76 1.163 5.649 -11.268 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.319 7.618 -9.930 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.379 7.187 -9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.742 8.031 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.741 8.829 -8.014 1.00 0.00 H new ATOM 1142 N TYR A 77 1.911 3.857 -8.746 1.00 0.00 N ATOM 1143 CA TYR A 77 2.967 3.206 -7.989 1.00 0.00 C ATOM 1144 C TYR A 77 3.287 1.828 -8.572 1.00 0.00 C ATOM 1145 O TYR A 77 4.045 1.060 -7.979 1.00 0.00 O ATOM 1146 CB TYR A 77 2.425 3.033 -6.570 1.00 0.00 C ATOM 1147 CG TYR A 77 3.063 3.970 -5.542 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.087 5.330 -5.770 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.613 3.453 -4.386 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.687 6.212 -4.803 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.214 4.334 -3.418 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.222 5.671 -3.674 1.00 0.00 C ATOM 1153 OH TYR A 77 4.789 6.503 -2.760 1.00 0.00 O ATOM 0 H TYR A 77 0.995 3.414 -8.668 1.00 0.00 H new ATOM 0 HA TYR A 77 3.881 3.799 -8.017 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.348 3.201 -6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.584 2.002 -6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.656 5.733 -6.674 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.593 2.388 -4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.712 7.279 -4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.648 3.943 -2.510 1.00 0.00 H new ATOM 0 HH TYR A 77 4.584 7.433 -2.993 1.00 0.00 H new ATOM 1163 N VAL A 78 2.693 1.555 -9.725 1.00 0.00 N ATOM 1164 CA VAL A 78 2.906 0.282 -10.393 1.00 0.00 C ATOM 1165 C VAL A 78 3.211 0.532 -11.871 1.00 0.00 C ATOM 1166 O VAL A 78 3.018 1.640 -12.370 1.00 0.00 O ATOM 1167 CB VAL A 78 1.697 -0.630 -10.179 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.259 -0.623 -8.713 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.541 -0.233 -11.098 1.00 0.00 C ATOM 0 H VAL A 78 2.065 2.193 -10.213 1.00 0.00 H new ATOM 0 HA VAL A 78 3.766 -0.234 -9.966 1.00 0.00 H new ATOM 0 HB VAL A 78 1.994 -1.647 -10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.398 -1.279 -8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.078 -0.976 -8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.988 0.391 -8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.306 -0.897 -10.925 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.245 0.795 -10.887 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.859 -0.313 -12.138 1.00 0.00 H new ATOM 1179 N ALA A 79 3.683 -0.515 -12.531 1.00 0.00 N ATOM 1180 CA ALA A 79 4.017 -0.424 -13.942 1.00 0.00 C ATOM 1181 C ALA A 79 3.909 -1.810 -14.579 1.00 0.00 C ATOM 1182 O ALA A 79 4.716 -2.693 -14.292 1.00 0.00 O ATOM 1183 CB ALA A 79 5.413 0.183 -14.099 1.00 0.00 C ATOM 0 H ALA A 79 3.842 -1.432 -12.114 1.00 0.00 H new ATOM 0 HA ALA A 79 3.317 0.231 -14.460 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.663 0.251 -15.158 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.428 1.180 -13.658 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.143 -0.449 -13.593 1.00 0.00 H new ATOM 1189 N ARG A 80 2.905 -1.958 -15.431 1.00 0.00 N ATOM 1190 CA ARG A 80 2.681 -3.223 -16.110 1.00 0.00 C ATOM 1191 C ARG A 80 4.016 -3.852 -16.514 1.00 0.00 C ATOM 1192 O ARG A 80 4.916 -3.160 -16.988 1.00 0.00 O ATOM 1193 CB ARG A 80 1.818 -3.032 -17.360 1.00 0.00 C ATOM 1194 CG ARG A 80 0.356 -3.386 -17.075 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.282 -4.084 -18.278 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.424 -3.286 -18.778 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.151 -3.609 -19.856 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.858 -4.714 -20.555 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.169 -2.826 -20.237 1.00 0.00 N ATOM 0 H ARG A 80 2.238 -1.223 -15.666 1.00 0.00 H new ATOM 0 HA ARG A 80 2.158 -3.883 -15.417 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.886 -1.998 -17.699 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.197 -3.658 -18.168 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.299 -4.035 -16.201 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.202 -2.480 -16.837 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.457 -4.212 -19.069 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.620 -5.080 -17.994 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.673 -2.437 -18.270 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.082 -5.309 -20.266 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.411 -4.960 -21.376 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.391 -1.984 -19.706 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.722 -3.072 -21.058 1.00 0.00 H new ATOM 1213 N VAL A 81 4.104 -5.158 -16.311 1.00 0.00 N ATOM 1214 CA VAL A 81 5.313 -5.889 -16.647 1.00 0.00 C ATOM 1215 C VAL A 81 5.588 -5.750 -18.146 1.00 0.00 C ATOM 1216 O VAL A 81 6.743 -5.719 -18.568 1.00 0.00 O ATOM 1217 CB VAL A 81 5.187 -7.345 -16.195 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.784 -8.250 -17.362 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.486 -7.833 -15.548 1.00 0.00 C ATOM 0 H VAL A 81 3.356 -5.729 -15.917 1.00 0.00 H new ATOM 0 HA VAL A 81 6.171 -5.472 -16.119 1.00 0.00 H new ATOM 0 HB VAL A 81 4.398 -7.394 -15.444 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.702 -9.279 -17.013 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.823 -7.924 -17.760 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.540 -8.192 -18.145 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.369 -8.871 -15.236 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.301 -7.760 -16.268 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.714 -7.216 -14.679 1.00 0.00 H new ATOM 1229 N ASP A 82 4.507 -5.671 -18.908 1.00 0.00 N ATOM 1230 CA ASP A 82 4.617 -5.535 -20.351 1.00 0.00 C ATOM 1231 C ASP A 82 4.743 -4.053 -20.712 1.00 0.00 C ATOM 1232 O ASP A 82 4.616 -3.681 -21.877 1.00 0.00 O ATOM 1233 CB ASP A 82 3.375 -6.088 -21.053 1.00 0.00 C ATOM 1234 CG ASP A 82 3.643 -6.791 -22.384 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.114 -6.094 -23.309 1.00 0.00 O ATOM 1236 OD2 ASP A 82 3.372 -8.009 -22.448 1.00 0.00 O ATOM 0 H ASP A 82 3.551 -5.699 -18.554 1.00 0.00 H new ATOM 0 HA ASP A 82 5.494 -6.094 -20.676 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.879 -6.790 -20.382 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.679 -5.267 -21.227 1.00 0.00 H new ATOM 1241 N SER A 83 4.993 -3.247 -19.690 1.00 0.00 N ATOM 1242 CA SER A 83 5.138 -1.815 -19.885 1.00 0.00 C ATOM 1243 C SER A 83 6.528 -1.364 -19.433 1.00 0.00 C ATOM 1244 O SER A 83 6.713 -0.214 -19.038 1.00 0.00 O ATOM 1245 CB SER A 83 4.056 -1.043 -19.126 1.00 0.00 C ATOM 1246 OG SER A 83 4.074 0.347 -19.438 1.00 0.00 O ATOM 0 H SER A 83 5.099 -3.559 -18.725 1.00 0.00 H new ATOM 0 HA SER A 83 5.021 -1.601 -20.947 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.077 -1.457 -19.369 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.200 -1.176 -18.054 1.00 0.00 H new ATOM 0 HG SER A 83 4.999 0.672 -19.431 1.00 0.00 H new ATOM 1252 N LEU A 84 7.470 -2.293 -19.505 1.00 0.00 N ATOM 1253 CA LEU A 84 8.837 -2.004 -19.108 1.00 0.00 C ATOM 1254 C LEU A 84 9.677 -1.719 -20.355 1.00 0.00 C ATOM 1255 O LEU A 84 9.332 -2.155 -21.454 1.00 0.00 O ATOM 1256 CB LEU A 84 9.393 -3.134 -18.239 1.00 0.00 C ATOM 1257 CG LEU A 84 8.474 -3.634 -17.122 1.00 0.00 C ATOM 1258 CD1 LEU A 84 8.998 -4.942 -16.526 1.00 0.00 C ATOM 1259 CD2 LEU A 84 8.272 -2.556 -16.054 1.00 0.00 C ATOM 0 H LEU A 84 7.313 -3.246 -19.832 1.00 0.00 H new ATOM 0 HA LEU A 84 8.871 -1.108 -18.488 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.638 -3.977 -18.886 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.327 -2.795 -17.790 1.00 0.00 H new ATOM 0 HG LEU A 84 7.496 -3.846 -17.553 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.327 -5.276 -15.735 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.047 -5.703 -17.305 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.994 -4.781 -16.113 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.615 -2.937 -15.272 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.236 -2.289 -15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.821 -1.674 -16.508 1.00 0.00 H new ATOM 1271 N GLU A 85 10.763 -0.990 -20.145 1.00 0.00 N ATOM 1272 CA GLU A 85 11.654 -0.642 -21.238 1.00 0.00 C ATOM 1273 C GLU A 85 10.895 0.135 -22.315 1.00 0.00 C ATOM 1274 O GLU A 85 10.205 -0.456 -23.143 1.00 0.00 O ATOM 1275 CB GLU A 85 12.314 -1.891 -21.827 1.00 0.00 C ATOM 1276 CG GLU A 85 13.672 -1.554 -22.445 1.00 0.00 C ATOM 1277 CD GLU A 85 13.663 -1.795 -23.956 1.00 0.00 C ATOM 1278 OE1 GLU A 85 13.607 -2.984 -24.340 1.00 0.00 O ATOM 1279 OE2 GLU A 85 13.712 -0.787 -24.692 1.00 0.00 O ATOM 0 H GLU A 85 11.046 -0.631 -19.233 1.00 0.00 H new ATOM 0 HA GLU A 85 12.445 -0.003 -20.846 1.00 0.00 H new ATOM 0 HB2 GLU A 85 12.442 -2.641 -21.047 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.664 -2.327 -22.585 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.920 -0.512 -22.241 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.448 -2.163 -21.981 1.00 0.00 H new ATOM 1286 N THR A 86 11.048 1.451 -22.268 1.00 0.00 N ATOM 1287 CA THR A 86 10.386 2.316 -23.230 1.00 0.00 C ATOM 1288 C THR A 86 11.066 3.686 -23.272 1.00 0.00 C ATOM 1289 O THR A 86 11.201 4.348 -22.245 1.00 0.00 O ATOM 1290 CB THR A 86 8.902 2.385 -22.859 1.00 0.00 C ATOM 1291 OG1 THR A 86 8.310 3.115 -23.931 1.00 0.00 O ATOM 1292 CG2 THR A 86 8.646 3.257 -21.628 1.00 0.00 C ATOM 0 H THR A 86 11.621 1.939 -21.579 1.00 0.00 H new ATOM 0 HA THR A 86 10.466 1.918 -24.241 1.00 0.00 H new ATOM 0 HB THR A 86 8.527 1.378 -22.675 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.347 3.205 -23.773 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.578 3.272 -21.408 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.187 2.849 -20.774 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.990 4.273 -21.823 1.00 0.00 H new TER 1300 THR A 86 HETATM 1301 C ACE B 119 -11.598 0.381 -7.120 1.00 0.00 C HETATM 1302 O ACE B 119 -12.670 -0.138 -6.813 1.00 0.00 O HETATM 1303 CH3 ACE B 119 -10.548 -0.410 -7.822 1.00 0.00 C HETATM 0 H1 ACE B 119 -10.327 0.052 -8.784 1.00 0.00 H new HETATM 0 H2 ACE B 119 -9.643 -0.433 -7.215 1.00 0.00 H new HETATM 0 H3 ACE B 119 -10.905 -1.428 -7.981 1.00 0.00 H new ATOM 1307 N HIS B 120 -11.276 1.642 -6.871 1.00 0.00 N ATOM 1308 CA HIS B 120 -12.204 2.531 -6.193 1.00 0.00 C ATOM 1309 C HIS B 120 -12.022 3.958 -6.714 1.00 0.00 C ATOM 1310 O HIS B 120 -12.994 4.619 -7.075 1.00 0.00 O ATOM 1311 CB HIS B 120 -12.041 2.430 -4.675 1.00 0.00 C ATOM 1312 CG HIS B 120 -13.347 2.359 -3.921 1.00 0.00 C ATOM 1313 ND1 HIS B 120 -13.679 3.246 -2.911 1.00 0.00 N ATOM 1314 CD2 HIS B 120 -14.401 1.499 -4.040 1.00 0.00 C ATOM 1315 CE1 HIS B 120 -14.879 2.924 -2.449 1.00 0.00 C ATOM 1316 NE2 HIS B 120 -15.325 1.841 -3.151 1.00 0.00 N ATOM 0 H HIS B 120 -10.386 2.069 -7.127 1.00 0.00 H new ATOM 0 HA HIS B 120 -13.228 2.229 -6.412 1.00 0.00 H new ATOM 0 HB2 HIS B 120 -11.450 1.545 -4.441 1.00 0.00 H new ATOM 0 HB3 HIS B 120 -11.476 3.293 -4.322 1.00 0.00 H new ATOM 0 HD2 HIS B 120 -14.471 0.679 -4.739 1.00 0.00 H new ATOM 0 HE1 HIS B 120 -15.411 3.430 -1.656 1.00 0.00 H new ATOM 0 HE2 HIS B 120 -16.221 1.372 -3.015 1.00 0.00 H new ATOM 1324 N SER B 121 -10.770 4.390 -6.737 1.00 0.00 N ATOM 1325 CA SER B 121 -10.448 5.727 -7.209 1.00 0.00 C ATOM 1326 C SER B 121 -11.127 6.772 -6.321 1.00 0.00 C ATOM 1327 O SER B 121 -12.032 7.476 -6.766 1.00 0.00 O ATOM 1328 CB SER B 121 -10.872 5.913 -8.667 1.00 0.00 C ATOM 1329 OG SER B 121 -9.776 5.765 -9.565 1.00 0.00 O ATOM 0 H SER B 121 -9.966 3.839 -6.437 1.00 0.00 H new ATOM 0 HA SER B 121 -9.367 5.859 -7.154 1.00 0.00 H new ATOM 0 HB2 SER B 121 -11.645 5.186 -8.915 1.00 0.00 H new ATOM 0 HB3 SER B 121 -11.313 6.902 -8.793 1.00 0.00 H new ATOM 0 HG SER B 121 -9.995 6.189 -10.421 1.00 0.00 H new ATOM 1335 N LYS B 122 -10.664 6.840 -5.082 1.00 0.00 N ATOM 1336 CA LYS B 122 -11.214 7.787 -4.127 1.00 0.00 C ATOM 1337 C LYS B 122 -10.190 8.893 -3.865 1.00 0.00 C ATOM 1338 O LYS B 122 -10.558 10.022 -3.544 1.00 0.00 O ATOM 1339 CB LYS B 122 -11.678 7.065 -2.861 1.00 0.00 C ATOM 1340 CG LYS B 122 -10.487 6.698 -1.972 1.00 0.00 C ATOM 1341 CD LYS B 122 -10.874 5.623 -0.954 1.00 0.00 C ATOM 1342 CE LYS B 122 -10.294 5.940 0.426 1.00 0.00 C ATOM 1343 NZ LYS B 122 -11.378 6.225 1.392 1.00 0.00 N ATOM 0 H LYS B 122 -9.913 6.254 -4.717 1.00 0.00 H new ATOM 0 HA LYS B 122 -12.104 8.266 -4.535 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -12.368 7.702 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -12.226 6.163 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -9.664 6.339 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -10.130 7.586 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -11.960 5.553 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -10.512 4.652 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -9.697 5.098 0.778 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -9.625 6.798 0.357 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -10.966 6.438 2.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -11.931 7.042 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -12.000 5.395 1.470 1.00 0.00 H new ATOM 1357 N TYR B 123 -8.924 8.529 -4.010 1.00 0.00 N ATOM 1358 CA TYR B 123 -7.844 9.478 -3.792 1.00 0.00 C ATOM 1359 C TYR B 123 -7.102 9.773 -5.097 1.00 0.00 C ATOM 1360 O TYR B 123 -7.014 8.914 -5.974 1.00 0.00 O ATOM 1361 CB TYR B 123 -6.882 8.801 -2.814 1.00 0.00 C ATOM 1362 CG TYR B 123 -6.938 9.368 -1.393 1.00 0.00 C ATOM 1363 CD1 TYR B 123 -8.134 9.828 -0.881 1.00 0.00 C ATOM 1364 CD2 TYR B 123 -5.793 9.419 -0.625 1.00 0.00 C ATOM 1365 CE1 TYR B 123 -8.187 10.362 0.455 1.00 0.00 C ATOM 1366 CE2 TYR B 123 -5.846 9.952 0.712 1.00 0.00 C ATOM 1367 CZ TYR B 123 -7.041 10.397 1.185 1.00 0.00 C ATOM 1368 OH TYR B 123 -7.091 10.901 2.448 1.00 0.00 O ATOM 0 H TYR B 123 -8.622 7.592 -4.275 1.00 0.00 H new ATOM 0 HA TYR B 123 -8.233 10.423 -3.411 1.00 0.00 H new ATOM 0 HB2 TYR B 123 -7.107 7.735 -2.778 1.00 0.00 H new ATOM 0 HB3 TYR B 123 -5.865 8.899 -3.194 1.00 0.00 H new ATOM 0 HD1 TYR B 123 -9.030 9.787 -1.482 1.00 0.00 H new ATOM 0 HD2 TYR B 123 -4.857 9.059 -1.026 1.00 0.00 H new ATOM 0 HE1 TYR B 123 -9.116 10.726 0.868 1.00 0.00 H new ATOM 0 HE2 TYR B 123 -4.958 9.997 1.325 1.00 0.00 H new ATOM 0 HH TYR B 123 -6.199 10.863 2.851 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.573 11.023 -5.188 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.842 11.441 -6.371 1.00 0.00 C ATOM 1380 C PRO B 124 -4.448 10.812 -6.406 1.00 0.00 C ATOM 1381 O PRO B 124 -3.448 11.515 -6.545 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.807 12.959 -6.294 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.109 13.310 -4.847 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.657 12.065 -4.169 1.00 0.00 C ATOM 0 HA PRO B 124 -6.315 11.112 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.832 13.343 -6.594 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.543 13.401 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.207 13.654 -4.341 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.833 14.123 -4.795 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.073 11.804 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.685 12.214 -3.838 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.426 9.494 -6.276 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.171 8.761 -6.291 1.00 0.00 C ATOM 1394 C LEU B 125 -2.277 9.266 -5.155 1.00 0.00 C ATOM 1395 O LEU B 125 -2.375 10.423 -4.752 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.517 8.846 -7.672 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.026 7.850 -8.716 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.517 8.214 -10.113 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.661 6.416 -8.329 1.00 0.00 C ATOM 0 H LEU B 125 -5.257 8.914 -6.160 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.347 7.700 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.662 9.854 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.443 8.701 -7.553 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.114 7.909 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -2.893 7.491 -10.837 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -2.868 9.211 -10.380 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.427 8.200 -10.118 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.034 5.728 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.577 6.323 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.111 6.173 -7.366 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.404 8.348 -4.660 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.494 8.688 -3.579 1.00 0.00 C ATOM 1413 C PRO B 126 0.656 9.561 -4.086 1.00 0.00 C ATOM 1414 O PRO B 126 0.873 9.670 -5.291 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.028 7.353 -3.024 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.325 6.325 -4.103 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.261 6.968 -5.113 1.00 0.00 C ATOM 0 HA PRO B 126 -0.969 9.284 -2.799 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.036 7.377 -2.791 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.552 7.111 -2.099 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.597 6.003 -4.588 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.784 5.437 -3.668 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.848 6.923 -6.121 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.224 6.458 -5.141 1.00 0.00 H new ATOM 1425 N PRO B 127 1.382 10.174 -3.114 1.00 0.00 N ATOM 1426 CA PRO B 127 2.505 11.034 -3.449 1.00 0.00 C ATOM 1427 C PRO B 127 3.718 10.209 -3.880 1.00 0.00 C ATOM 1428 O PRO B 127 4.256 9.431 -3.094 1.00 0.00 O ATOM 1429 CB PRO B 127 2.761 11.854 -2.194 1.00 0.00 C ATOM 1430 CG PRO B 127 2.081 11.103 -1.060 1.00 0.00 C ATOM 1431 CD PRO B 127 1.154 10.068 -1.675 1.00 0.00 C ATOM 0 HA PRO B 127 2.297 11.684 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.830 11.959 -2.007 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.355 12.860 -2.295 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.823 10.621 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.519 11.792 -0.429 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.382 9.066 -1.311 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.113 10.270 -1.423 1.00 0.00 H new ATOM 1439 N LEU B 128 4.113 10.405 -5.130 1.00 0.00 N ATOM 1440 CA LEU B 128 5.252 9.688 -5.676 1.00 0.00 C ATOM 1441 C LEU B 128 6.482 9.954 -4.806 1.00 0.00 C ATOM 1442 O LEU B 128 6.760 11.099 -4.452 1.00 0.00 O ATOM 1443 CB LEU B 128 5.453 10.043 -7.151 1.00 0.00 C ATOM 1444 CG LEU B 128 4.697 9.175 -8.159 1.00 0.00 C ATOM 1445 CD1 LEU B 128 5.424 7.851 -8.397 1.00 0.00 C ATOM 1446 CD2 LEU B 128 3.247 8.962 -7.720 1.00 0.00 C ATOM 0 H LEU B 128 3.664 11.050 -5.780 1.00 0.00 H new ATOM 0 HA LEU B 128 5.071 8.613 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.154 11.081 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.518 9.983 -7.377 1.00 0.00 H new ATOM 0 HG LEU B 128 4.671 9.703 -9.112 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.865 7.253 -9.117 1.00 0.00 H new ATOM 0 HD12 LEU B 128 6.422 8.049 -8.787 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.503 7.305 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU B 128 2.732 8.342 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU B 128 3.230 8.466 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU B 128 2.745 9.926 -7.643 1.00 0.00 H new ATOM 1458 N PRO B 129 7.205 8.850 -4.478 1.00 0.00 N ATOM 1459 CA PRO B 129 8.399 8.954 -3.656 1.00 0.00 C ATOM 1460 C PRO B 129 9.569 9.524 -4.460 1.00 0.00 C ATOM 1461 O PRO B 129 10.411 10.237 -3.916 1.00 0.00 O ATOM 1462 CB PRO B 129 8.654 7.542 -3.153 1.00 0.00 C ATOM 1463 CG PRO B 129 7.875 6.623 -4.079 1.00 0.00 C ATOM 1464 CD PRO B 129 6.906 7.479 -4.879 1.00 0.00 C ATOM 0 HA PRO B 129 8.277 9.644 -2.821 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.718 7.306 -3.173 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.322 7.429 -2.121 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.553 6.089 -4.745 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.335 5.871 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.047 7.340 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.871 7.218 -4.657 1.00 0.00 H new ATOM 1472 N SER B 130 9.585 9.188 -5.741 1.00 0.00 N ATOM 1473 CA SER B 130 10.639 9.657 -6.625 1.00 0.00 C ATOM 1474 C SER B 130 11.995 9.129 -6.150 1.00 0.00 C ATOM 1475 O SER B 130 12.927 9.903 -5.940 1.00 0.00 O ATOM 1476 CB SER B 130 10.660 11.185 -6.694 1.00 0.00 C ATOM 1477 OG SER B 130 11.484 11.660 -7.755 1.00 0.00 O ATOM 0 H SER B 130 8.885 8.596 -6.189 1.00 0.00 H new ATOM 0 HA SER B 130 10.439 9.277 -7.627 1.00 0.00 H new ATOM 0 HB2 SER B 130 9.644 11.556 -6.830 1.00 0.00 H new ATOM 0 HB3 SER B 130 11.021 11.586 -5.747 1.00 0.00 H new ATOM 0 HG SER B 130 12.403 11.346 -7.622 1.00 0.00 H new ATOM 1483 N LEU B 131 12.060 7.815 -5.994 1.00 0.00 N ATOM 1484 CA LEU B 131 13.286 7.174 -5.548 1.00 0.00 C ATOM 1485 C LEU B 131 13.927 8.022 -4.447 1.00 0.00 C ATOM 1486 O LEU B 131 14.766 8.878 -4.727 1.00 0.00 O ATOM 1487 CB LEU B 131 14.212 6.904 -6.735 1.00 0.00 C ATOM 1488 CG LEU B 131 14.548 8.112 -7.612 1.00 0.00 C ATOM 1489 CD1 LEU B 131 15.877 7.907 -8.343 1.00 0.00 C ATOM 1490 CD2 LEU B 131 13.403 8.423 -8.579 1.00 0.00 C ATOM 0 H LEU B 131 11.284 7.177 -6.168 1.00 0.00 H new ATOM 0 HA LEU B 131 13.070 6.198 -5.114 1.00 0.00 H new ATOM 0 HB2 LEU B 131 15.144 6.485 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU B 131 13.752 6.141 -7.363 1.00 0.00 H new ATOM 0 HG LEU B 131 14.668 8.981 -6.965 1.00 0.00 H new ATOM 0 HD11 LEU B 131 16.092 8.780 -8.959 1.00 0.00 H new ATOM 0 HD12 LEU B 131 16.676 7.772 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU B 131 15.811 7.023 -8.977 1.00 0.00 H new ATOM 0 HD21 LEU B 131 13.667 9.286 -9.191 1.00 0.00 H new ATOM 0 HD22 LEU B 131 13.227 7.562 -9.223 1.00 0.00 H new ATOM 0 HD23 LEU B 131 12.498 8.643 -8.013 1.00 0.00 H new HETATM 1502 N NH2 B 132 13.510 7.754 -3.219 1.00 0.00 N TER 1505 NH2 B 132