USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 729 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 Single : A 1 GLY N :NH3+ -111:sc= 0.0832 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -56:sc= 0.0245 USER MOD Single : A 15 SER OG : rot -151:sc= 0.926 USER MOD Single : A 16 LYS NZ :NH3+ -141:sc= 0.479 (180deg=0.0237) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.455 X(o=0.45,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0451 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -3.19 K(o=-3.2,f=-7.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.9 K(o=-0.9,f=-4.3!) USER MOD Single : A 47 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.013) USER MOD Single : A 48 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.42) USER MOD Single : A 49 ASN : amide:sc= -0.103 K(o=-0.1,f=-4.5!) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= 0.675 (180deg=0.252) USER MOD Single : A 52 SER OG : rot -120:sc= -0.067 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.19 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.9 K(o=-1.9,f=-0.61) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -165:sc= -3.31! USER MOD Single : A 74 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.53) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.3!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.9!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.873 -3.752 -2.510 1.00 0.00 N ATOM 2 CA GLY A 1 -32.514 -2.604 -1.699 1.00 0.00 C ATOM 3 C GLY A 1 -31.797 -1.532 -2.496 1.00 0.00 C ATOM 4 O GLY A 1 -31.311 -1.789 -3.597 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.906 -3.790 -2.620 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.428 -3.669 -3.446 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.543 -4.622 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.415 -2.181 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.876 -2.929 -0.877 1.00 0.00 H new ATOM 8 N SER A 2 -31.733 -0.326 -1.940 1.00 0.00 N ATOM 9 CA SER A 2 -31.075 0.790 -2.609 1.00 0.00 C ATOM 10 C SER A 2 -29.868 1.269 -1.807 1.00 0.00 C ATOM 11 O SER A 2 -30.015 1.854 -0.734 1.00 0.00 O ATOM 12 CB SER A 2 -32.060 1.944 -2.809 1.00 0.00 C ATOM 13 OG SER A 2 -33.068 1.598 -3.742 1.00 0.00 O ATOM 0 H SER A 2 -32.129 -0.097 -1.028 1.00 0.00 H new ATOM 0 HA SER A 2 -30.728 0.445 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.518 2.205 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.525 2.827 -3.158 1.00 0.00 H new ATOM 0 HG SER A 2 -33.685 2.351 -3.851 1.00 0.00 H new ATOM 19 N SER A 3 -28.676 1.016 -2.337 1.00 0.00 N ATOM 20 CA SER A 3 -27.443 1.417 -1.670 1.00 0.00 C ATOM 21 C SER A 3 -26.439 1.976 -2.675 1.00 0.00 C ATOM 22 O SER A 3 -26.522 1.700 -3.871 1.00 0.00 O ATOM 23 CB SER A 3 -26.830 0.229 -0.927 1.00 0.00 C ATOM 24 OG SER A 3 -26.321 -0.733 -1.835 1.00 0.00 O ATOM 0 H SER A 3 -28.538 0.535 -3.226 1.00 0.00 H new ATOM 0 HA SER A 3 -27.686 2.199 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.029 0.578 -0.275 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.583 -0.232 -0.288 1.00 0.00 H new ATOM 0 HG SER A 3 -25.933 -1.481 -1.335 1.00 0.00 H new ATOM 30 N GLY A 4 -25.490 2.764 -2.178 1.00 0.00 N ATOM 31 CA GLY A 4 -24.484 3.350 -3.044 1.00 0.00 C ATOM 32 C GLY A 4 -23.213 3.706 -2.298 1.00 0.00 C ATOM 33 O GLY A 4 -22.895 3.100 -1.275 1.00 0.00 O ATOM 0 H GLY A 4 -25.400 3.007 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.247 2.651 -3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.890 4.247 -3.513 1.00 0.00 H new ATOM 37 N SER A 5 -22.484 4.692 -2.812 1.00 0.00 N ATOM 38 CA SER A 5 -21.238 5.125 -2.191 1.00 0.00 C ATOM 39 C SER A 5 -21.187 6.645 -2.077 1.00 0.00 C ATOM 40 O SER A 5 -20.963 7.345 -3.064 1.00 0.00 O ATOM 41 CB SER A 5 -20.040 4.622 -2.998 1.00 0.00 C ATOM 42 OG SER A 5 -18.915 4.410 -2.162 1.00 0.00 O ATOM 0 H SER A 5 -22.735 5.206 -3.657 1.00 0.00 H new ATOM 0 HA SER A 5 -21.195 4.702 -1.188 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.302 3.692 -3.503 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.790 5.346 -3.773 1.00 0.00 H new ATOM 0 HG SER A 5 -18.163 4.087 -2.701 1.00 0.00 H new ATOM 48 N SER A 6 -21.397 7.149 -0.865 1.00 0.00 N ATOM 49 CA SER A 6 -21.379 8.587 -0.621 1.00 0.00 C ATOM 50 C SER A 6 -20.062 9.200 -1.087 1.00 0.00 C ATOM 51 O SER A 6 -19.069 8.498 -1.274 1.00 0.00 O ATOM 52 CB SER A 6 -21.591 8.876 0.866 1.00 0.00 C ATOM 53 OG SER A 6 -20.429 8.568 1.616 1.00 0.00 O ATOM 0 H SER A 6 -21.582 6.583 -0.037 1.00 0.00 H new ATOM 0 HA SER A 6 -22.192 9.038 -1.191 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.848 9.926 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.433 8.291 1.237 1.00 0.00 H new ATOM 0 HG SER A 6 -20.590 8.763 2.563 1.00 0.00 H new ATOM 59 N GLY A 7 -20.062 10.517 -1.273 1.00 0.00 N ATOM 60 CA GLY A 7 -18.863 11.204 -1.715 1.00 0.00 C ATOM 61 C GLY A 7 -18.821 12.649 -1.260 1.00 0.00 C ATOM 62 O GLY A 7 -19.218 13.551 -1.996 1.00 0.00 O ATOM 0 H GLY A 7 -20.871 11.120 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.987 10.681 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.807 11.167 -2.803 1.00 0.00 H new ATOM 66 N ASN A 8 -18.340 12.870 -0.040 1.00 0.00 N ATOM 67 CA ASN A 8 -18.251 14.216 0.514 1.00 0.00 C ATOM 68 C ASN A 8 -17.331 14.243 1.731 1.00 0.00 C ATOM 69 O ASN A 8 -17.409 13.375 2.600 1.00 0.00 O ATOM 70 CB ASN A 8 -19.641 14.725 0.899 1.00 0.00 C ATOM 71 CG ASN A 8 -19.585 15.825 1.942 1.00 0.00 C ATOM 72 OD1 ASN A 8 -18.697 16.677 1.914 1.00 0.00 O ATOM 73 ND2 ASN A 8 -20.537 15.811 2.868 1.00 0.00 N ATOM 0 H ASN A 8 -18.006 12.134 0.583 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.832 14.870 -0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.148 15.097 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -20.236 13.895 1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.552 16.526 3.595 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -21.253 15.085 2.852 1.00 0.00 H new ATOM 80 N SER A 9 -16.461 15.246 1.786 1.00 0.00 N ATOM 81 CA SER A 9 -15.524 15.386 2.895 1.00 0.00 C ATOM 82 C SER A 9 -14.845 16.751 2.864 1.00 0.00 C ATOM 83 O SER A 9 -14.952 17.490 1.884 1.00 0.00 O ATOM 84 CB SER A 9 -14.470 14.278 2.841 1.00 0.00 C ATOM 85 OG SER A 9 -13.620 14.437 1.718 1.00 0.00 O ATOM 0 H SER A 9 -16.385 15.974 1.076 1.00 0.00 H new ATOM 0 HA SER A 9 -16.085 15.300 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.876 14.292 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.961 13.306 2.794 1.00 0.00 H new ATOM 0 HG SER A 9 -12.954 13.718 1.707 1.00 0.00 H new ATOM 91 N THR A 10 -14.145 17.082 3.945 1.00 0.00 N ATOM 92 CA THR A 10 -13.449 18.358 4.044 1.00 0.00 C ATOM 93 C THR A 10 -11.983 18.159 4.414 1.00 0.00 C ATOM 94 O THR A 10 -11.657 17.341 5.274 1.00 0.00 O ATOM 95 CB THR A 10 -14.109 19.279 5.088 1.00 0.00 C ATOM 96 OG1 THR A 10 -15.521 19.345 4.860 1.00 0.00 O ATOM 97 CG2 THR A 10 -13.515 20.678 5.029 1.00 0.00 C ATOM 0 H THR A 10 -14.045 16.483 4.765 1.00 0.00 H new ATOM 0 HA THR A 10 -13.513 18.828 3.063 1.00 0.00 H new ATOM 0 HB THR A 10 -13.920 18.863 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.933 19.931 5.529 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.997 21.310 5.775 1.00 0.00 H new ATOM 0 HG22 THR A 10 -12.445 20.628 5.232 1.00 0.00 H new ATOM 0 HG23 THR A 10 -13.677 21.100 4.037 1.00 0.00 H new ATOM 105 N TRP A 11 -11.106 18.910 3.760 1.00 0.00 N ATOM 106 CA TRP A 11 -9.674 18.815 4.021 1.00 0.00 C ATOM 107 C TRP A 11 -8.933 20.011 3.433 1.00 0.00 C ATOM 108 O TRP A 11 -8.901 20.196 2.216 1.00 0.00 O ATOM 109 CB TRP A 11 -9.113 17.516 3.440 1.00 0.00 C ATOM 110 CG TRP A 11 -7.627 17.393 3.584 1.00 0.00 C ATOM 111 CD1 TRP A 11 -6.691 17.568 2.605 1.00 0.00 C ATOM 112 CD2 TRP A 11 -6.906 17.067 4.777 1.00 0.00 C ATOM 113 NE1 TRP A 11 -5.431 17.371 3.118 1.00 0.00 N ATOM 114 CE2 TRP A 11 -5.536 17.063 4.449 1.00 0.00 C ATOM 115 CE3 TRP A 11 -7.284 16.780 6.092 1.00 0.00 C ATOM 116 CZ2 TRP A 11 -4.546 16.781 5.387 1.00 0.00 C ATOM 117 CZ3 TRP A 11 -6.300 16.500 7.022 1.00 0.00 C ATOM 118 CH2 TRP A 11 -4.945 16.503 6.666 1.00 0.00 C ATOM 0 H TRP A 11 -11.360 19.592 3.045 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.526 18.815 5.101 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -9.590 16.670 3.935 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.374 17.456 2.383 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.909 17.824 1.579 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.559 17.442 2.593 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.326 16.777 6.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.501 16.782 5.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.581 16.275 8.040 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.200 16.281 7.416 1.00 0.00 H new ATOM 129 N SER A 12 -8.338 20.819 4.304 1.00 0.00 N ATOM 130 CA SER A 12 -7.599 22.000 3.870 1.00 0.00 C ATOM 131 C SER A 12 -6.165 21.965 4.390 1.00 0.00 C ATOM 132 O SER A 12 -5.612 22.990 4.786 1.00 0.00 O ATOM 133 CB SER A 12 -8.299 23.271 4.354 1.00 0.00 C ATOM 134 OG SER A 12 -7.906 24.394 3.585 1.00 0.00 O ATOM 0 H SER A 12 -8.353 20.678 5.314 1.00 0.00 H new ATOM 0 HA SER A 12 -7.571 22.002 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.379 23.142 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.061 23.444 5.404 1.00 0.00 H new ATOM 0 HG SER A 12 -6.930 24.481 3.608 1.00 0.00 H new ATOM 140 N GLY A 13 -5.569 20.777 4.386 1.00 0.00 N ATOM 141 CA GLY A 13 -4.206 20.629 4.859 1.00 0.00 C ATOM 142 C GLY A 13 -3.386 19.701 3.985 1.00 0.00 C ATOM 143 O GLY A 13 -3.773 19.397 2.858 1.00 0.00 O ATOM 0 H GLY A 13 -6.006 19.914 4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.728 21.608 4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.218 20.245 5.879 1.00 0.00 H new ATOM 147 N GLU A 14 -2.249 19.250 4.507 1.00 0.00 N ATOM 148 CA GLU A 14 -1.372 18.353 3.764 1.00 0.00 C ATOM 149 C GLU A 14 -0.895 17.203 4.647 1.00 0.00 C ATOM 150 O GLU A 14 -0.143 17.409 5.600 1.00 0.00 O ATOM 151 CB GLU A 14 -0.168 19.120 3.214 1.00 0.00 C ATOM 152 CG GLU A 14 0.702 19.743 4.293 1.00 0.00 C ATOM 153 CD GLU A 14 1.486 20.941 3.792 1.00 0.00 C ATOM 154 OE1 GLU A 14 2.615 20.745 3.295 1.00 0.00 O ATOM 155 OE2 GLU A 14 0.971 22.073 3.897 1.00 0.00 O ATOM 0 H GLU A 14 -1.914 19.491 5.440 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.941 17.938 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.440 18.443 2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.522 19.905 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.073 20.049 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.396 18.993 4.673 1.00 0.00 H new ATOM 162 N SER A 15 -1.340 15.993 4.324 1.00 0.00 N ATOM 163 CA SER A 15 -0.963 14.811 5.090 1.00 0.00 C ATOM 164 C SER A 15 -0.300 13.770 4.192 1.00 0.00 C ATOM 165 O SER A 15 -0.957 13.136 3.366 1.00 0.00 O ATOM 166 CB SER A 15 -2.193 14.205 5.770 1.00 0.00 C ATOM 167 OG SER A 15 -2.380 14.751 7.064 1.00 0.00 O ATOM 0 H SER A 15 -1.962 15.805 3.537 1.00 0.00 H new ATOM 0 HA SER A 15 -0.247 15.116 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.078 14.392 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.077 13.123 5.841 1.00 0.00 H new ATOM 0 HG SER A 15 -2.828 14.092 7.635 1.00 0.00 H new ATOM 173 N LYS A 16 1.007 13.600 4.360 1.00 0.00 N ATOM 174 CA LYS A 16 1.761 12.637 3.567 1.00 0.00 C ATOM 175 C LYS A 16 1.741 11.259 4.222 1.00 0.00 C ATOM 176 O LYS A 16 2.488 10.362 3.828 1.00 0.00 O ATOM 177 CB LYS A 16 3.206 13.110 3.393 1.00 0.00 C ATOM 178 CG LYS A 16 3.949 13.293 4.705 1.00 0.00 C ATOM 179 CD LYS A 16 4.540 11.984 5.199 1.00 0.00 C ATOM 180 CE LYS A 16 5.590 12.217 6.275 1.00 0.00 C ATOM 181 NZ LYS A 16 6.917 12.555 5.690 1.00 0.00 N ATOM 0 H LYS A 16 1.566 14.117 5.039 1.00 0.00 H new ATOM 0 HA LYS A 16 1.289 12.561 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.744 12.388 2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.207 14.055 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.745 14.026 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.268 13.692 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.746 11.352 5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.988 11.447 4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.265 13.025 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.682 11.323 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.667 12.091 6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.956 12.225 4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.055 13.585 5.716 1.00 0.00 H new ATOM 195 N THR A 17 0.882 11.097 5.223 1.00 0.00 N ATOM 196 CA THR A 17 0.764 9.829 5.931 1.00 0.00 C ATOM 197 C THR A 17 -0.570 9.154 5.634 1.00 0.00 C ATOM 198 O THR A 17 -1.608 9.546 6.168 1.00 0.00 O ATOM 199 CB THR A 17 0.901 10.021 7.453 1.00 0.00 C ATOM 200 OG1 THR A 17 2.077 10.784 7.747 1.00 0.00 O ATOM 201 CG2 THR A 17 0.970 8.678 8.165 1.00 0.00 C ATOM 0 H THR A 17 0.257 11.829 5.562 1.00 0.00 H new ATOM 0 HA THR A 17 1.576 9.194 5.577 1.00 0.00 H new ATOM 0 HB THR A 17 0.022 10.558 7.809 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.156 10.903 8.717 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.067 8.840 9.239 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.060 8.112 7.964 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.833 8.118 7.803 1.00 0.00 H new ATOM 209 N LEU A 18 -0.536 8.138 4.779 1.00 0.00 N ATOM 210 CA LEU A 18 -1.743 7.407 4.410 1.00 0.00 C ATOM 211 C LEU A 18 -1.982 6.237 5.358 1.00 0.00 C ATOM 212 O LEU A 18 -1.085 5.429 5.603 1.00 0.00 O ATOM 213 CB LEU A 18 -1.637 6.899 2.971 1.00 0.00 C ATOM 214 CG LEU A 18 -1.103 7.899 1.944 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.923 7.229 0.591 1.00 0.00 C ATOM 216 CD2 LEU A 18 -2.037 9.095 1.829 1.00 0.00 C ATOM 0 H LEU A 18 0.315 7.802 4.328 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.589 8.091 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.991 6.021 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.625 6.571 2.649 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.130 8.254 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.542 7.955 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.215 6.406 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.882 6.845 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.642 9.796 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.024 8.757 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.115 9.590 2.797 1.00 0.00 H new ATOM 228 N VAL A 19 -3.198 6.149 5.888 1.00 0.00 N ATOM 229 CA VAL A 19 -3.556 5.075 6.807 1.00 0.00 C ATOM 230 C VAL A 19 -4.247 3.931 6.073 1.00 0.00 C ATOM 231 O VAL A 19 -5.293 4.120 5.451 1.00 0.00 O ATOM 232 CB VAL A 19 -4.480 5.582 7.930 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.587 4.549 9.041 1.00 0.00 C ATOM 234 CG2 VAL A 19 -3.979 6.912 8.473 1.00 0.00 C ATOM 0 H VAL A 19 -3.952 6.809 5.697 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.627 4.712 7.247 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.476 5.738 7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.244 4.925 9.825 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.996 3.622 8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.598 4.358 9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.644 7.255 9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.973 6.786 8.873 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.961 7.649 7.670 1.00 0.00 H new ATOM 244 N LEU A 20 -3.655 2.744 6.148 1.00 0.00 N ATOM 245 CA LEU A 20 -4.213 1.568 5.491 1.00 0.00 C ATOM 246 C LEU A 20 -5.168 0.826 6.422 1.00 0.00 C ATOM 247 O LEU A 20 -4.892 0.665 7.610 1.00 0.00 O ATOM 248 CB LEU A 20 -3.092 0.631 5.040 1.00 0.00 C ATOM 249 CG LEU A 20 -3.486 -0.453 4.036 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.297 -0.832 3.166 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.032 -1.676 4.758 1.00 0.00 C ATOM 0 H LEU A 20 -2.788 2.571 6.657 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.772 1.902 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.297 1.233 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.674 0.146 5.922 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.270 -0.056 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.596 -1.605 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.951 0.046 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.491 -1.209 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.307 -2.437 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.269 -2.074 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.911 -1.394 5.337 1.00 0.00 H new ATOM 263 N SER A 21 -6.290 0.374 5.872 1.00 0.00 N ATOM 264 CA SER A 21 -7.287 -0.350 6.653 1.00 0.00 C ATOM 265 C SER A 21 -7.706 -1.633 5.942 1.00 0.00 C ATOM 266 O SER A 21 -7.808 -1.672 4.717 1.00 0.00 O ATOM 267 CB SER A 21 -8.511 0.533 6.901 1.00 0.00 C ATOM 268 OG SER A 21 -8.136 1.783 7.454 1.00 0.00 O ATOM 0 H SER A 21 -6.532 0.496 4.889 1.00 0.00 H new ATOM 0 HA SER A 21 -6.840 -0.615 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.044 0.692 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.199 0.025 7.577 1.00 0.00 H new ATOM 0 HG SER A 21 -8.936 2.329 7.601 1.00 0.00 H new ATOM 274 N ASN A 22 -7.948 -2.681 6.722 1.00 0.00 N ATOM 275 CA ASN A 22 -8.357 -3.967 6.169 1.00 0.00 C ATOM 276 C ASN A 22 -7.177 -4.675 5.508 1.00 0.00 C ATOM 277 O ASN A 22 -7.285 -5.169 4.386 1.00 0.00 O ATOM 278 CB ASN A 22 -9.484 -3.774 5.152 1.00 0.00 C ATOM 279 CG ASN A 22 -10.400 -4.980 5.068 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.239 -5.197 5.942 1.00 0.00 O ATOM 281 ND2 ASN A 22 -10.242 -5.771 4.013 1.00 0.00 N ATOM 0 H ASN A 22 -7.868 -2.665 7.739 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.719 -4.588 6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.069 -2.895 5.424 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.054 -3.579 4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.829 -6.598 3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.533 -5.552 3.313 1.00 0.00 H new ATOM 288 N LEU A 23 -6.052 -4.719 6.213 1.00 0.00 N ATOM 289 CA LEU A 23 -4.851 -5.367 5.697 1.00 0.00 C ATOM 290 C LEU A 23 -4.856 -6.858 6.016 1.00 0.00 C ATOM 291 O LEU A 23 -5.129 -7.260 7.147 1.00 0.00 O ATOM 292 CB LEU A 23 -3.600 -4.711 6.286 1.00 0.00 C ATOM 293 CG LEU A 23 -2.317 -4.856 5.467 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.176 -4.097 6.125 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.956 -6.324 5.297 1.00 0.00 C ATOM 0 H LEU A 23 -5.946 -4.314 7.143 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.841 -5.247 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.802 -3.649 6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.425 -5.133 7.276 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.489 -4.428 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.271 -4.211 5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.434 -3.040 6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.004 -4.494 7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.040 -6.408 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.803 -6.777 6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.765 -6.840 4.781 1.00 0.00 H new ATOM 307 N SER A 24 -4.550 -7.675 5.013 1.00 0.00 N ATOM 308 CA SER A 24 -4.520 -9.122 5.187 1.00 0.00 C ATOM 309 C SER A 24 -3.241 -9.558 5.895 1.00 0.00 C ATOM 310 O SER A 24 -2.150 -9.086 5.576 1.00 0.00 O ATOM 311 CB SER A 24 -4.630 -9.822 3.831 1.00 0.00 C ATOM 312 OG SER A 24 -4.592 -11.231 3.980 1.00 0.00 O ATOM 0 H SER A 24 -4.319 -7.359 4.071 1.00 0.00 H new ATOM 0 HA SER A 24 -5.371 -9.407 5.805 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.559 -9.530 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.814 -9.499 3.184 1.00 0.00 H new ATOM 0 HG SER A 24 -4.666 -11.655 3.100 1.00 0.00 H new ATOM 318 N TYR A 25 -3.385 -10.462 6.858 1.00 0.00 N ATOM 319 CA TYR A 25 -2.242 -10.961 7.614 1.00 0.00 C ATOM 320 C TYR A 25 -1.138 -11.443 6.678 1.00 0.00 C ATOM 321 O TYR A 25 0.047 -11.246 6.945 1.00 0.00 O ATOM 322 CB TYR A 25 -2.675 -12.100 8.539 1.00 0.00 C ATOM 323 CG TYR A 25 -4.074 -11.936 9.088 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.349 -10.994 10.072 1.00 0.00 C ATOM 325 CD2 TYR A 25 -5.120 -12.723 8.624 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.626 -10.840 10.577 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.400 -12.576 9.122 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.648 -11.634 10.098 1.00 0.00 C ATOM 329 OH TYR A 25 -7.922 -11.485 10.598 1.00 0.00 O ATOM 0 H TYR A 25 -4.281 -10.864 7.133 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.850 -10.141 8.216 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.616 -13.042 7.994 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.973 -12.168 9.370 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.551 -10.371 10.449 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.929 -13.463 7.861 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.823 -10.103 11.342 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.202 -13.195 8.749 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.524 -12.119 10.154 1.00 0.00 H new ATOM 339 N SER A 26 -1.537 -12.076 5.579 1.00 0.00 N ATOM 340 CA SER A 26 -0.583 -12.589 4.603 1.00 0.00 C ATOM 341 C SER A 26 0.197 -11.450 3.954 1.00 0.00 C ATOM 342 O SER A 26 1.287 -11.654 3.420 1.00 0.00 O ATOM 343 CB SER A 26 -1.307 -13.404 3.530 1.00 0.00 C ATOM 344 OG SER A 26 -1.866 -14.586 4.077 1.00 0.00 O ATOM 0 H SER A 26 -2.515 -12.246 5.342 1.00 0.00 H new ATOM 0 HA SER A 26 0.122 -13.236 5.126 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.095 -12.800 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.610 -13.663 2.733 1.00 0.00 H new ATOM 0 HG SER A 26 -2.325 -15.088 3.371 1.00 0.00 H new ATOM 350 N ALA A 27 -0.372 -10.249 4.003 1.00 0.00 N ATOM 351 CA ALA A 27 0.270 -9.076 3.422 1.00 0.00 C ATOM 352 C ALA A 27 1.227 -8.425 4.415 1.00 0.00 C ATOM 353 O ALA A 27 0.889 -8.230 5.583 1.00 0.00 O ATOM 354 CB ALA A 27 -0.780 -8.075 2.963 1.00 0.00 C ATOM 0 H ALA A 27 -1.275 -10.063 4.439 1.00 0.00 H new ATOM 0 HA ALA A 27 0.851 -9.400 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.288 -7.204 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.421 -8.538 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.384 -7.765 3.816 1.00 0.00 H new ATOM 360 N THR A 28 2.424 -8.091 3.943 1.00 0.00 N ATOM 361 CA THR A 28 3.431 -7.464 4.790 1.00 0.00 C ATOM 362 C THR A 28 4.111 -6.305 4.069 1.00 0.00 C ATOM 363 O THR A 28 3.881 -6.082 2.881 1.00 0.00 O ATOM 364 CB THR A 28 4.503 -8.477 5.233 1.00 0.00 C ATOM 365 OG1 THR A 28 5.394 -8.755 4.147 1.00 0.00 O ATOM 366 CG2 THR A 28 3.860 -9.770 5.712 1.00 0.00 C ATOM 0 H THR A 28 2.720 -8.244 2.979 1.00 0.00 H new ATOM 0 HA THR A 28 2.912 -7.087 5.671 1.00 0.00 H new ATOM 0 HB THR A 28 5.064 -8.041 6.059 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.073 -9.399 4.438 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.637 -10.470 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.205 -9.559 6.558 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.277 -10.208 4.902 1.00 0.00 H new ATOM 374 N GLU A 29 4.948 -5.572 4.796 1.00 0.00 N ATOM 375 CA GLU A 29 5.661 -4.436 4.224 1.00 0.00 C ATOM 376 C GLU A 29 6.172 -4.763 2.824 1.00 0.00 C ATOM 377 O GLU A 29 6.230 -3.894 1.955 1.00 0.00 O ATOM 378 CB GLU A 29 6.831 -4.033 5.125 1.00 0.00 C ATOM 379 CG GLU A 29 6.448 -3.044 6.213 1.00 0.00 C ATOM 380 CD GLU A 29 7.389 -3.092 7.402 1.00 0.00 C ATOM 381 OE1 GLU A 29 8.596 -3.333 7.193 1.00 0.00 O ATOM 382 OE2 GLU A 29 6.917 -2.891 8.540 1.00 0.00 O ATOM 0 H GLU A 29 5.149 -5.744 5.781 1.00 0.00 H new ATOM 0 HA GLU A 29 4.964 -3.602 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.247 -4.928 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.619 -3.597 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.444 -2.036 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.433 -3.254 6.549 1.00 0.00 H new ATOM 389 N GLU A 30 6.543 -6.023 2.615 1.00 0.00 N ATOM 390 CA GLU A 30 7.051 -6.464 1.322 1.00 0.00 C ATOM 391 C GLU A 30 6.018 -6.230 0.223 1.00 0.00 C ATOM 392 O GLU A 30 6.344 -5.733 -0.856 1.00 0.00 O ATOM 393 CB GLU A 30 7.427 -7.946 1.375 1.00 0.00 C ATOM 394 CG GLU A 30 8.868 -8.194 1.788 1.00 0.00 C ATOM 395 CD GLU A 30 9.838 -8.059 0.630 1.00 0.00 C ATOM 396 OE1 GLU A 30 9.635 -8.738 -0.397 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.801 -7.273 0.752 1.00 0.00 O ATOM 0 H GLU A 30 6.501 -6.755 3.324 1.00 0.00 H new ATOM 0 HA GLU A 30 7.941 -5.878 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.765 -8.455 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.257 -8.391 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.144 -7.489 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.953 -9.194 2.214 1.00 0.00 H new ATOM 404 N THR A 31 4.771 -6.592 0.505 1.00 0.00 N ATOM 405 CA THR A 31 3.690 -6.423 -0.459 1.00 0.00 C ATOM 406 C THR A 31 3.325 -4.952 -0.624 1.00 0.00 C ATOM 407 O THR A 31 3.021 -4.498 -1.728 1.00 0.00 O ATOM 408 CB THR A 31 2.433 -7.207 -0.036 1.00 0.00 C ATOM 409 OG1 THR A 31 2.769 -8.579 0.204 1.00 0.00 O ATOM 410 CG2 THR A 31 1.357 -7.124 -1.108 1.00 0.00 C ATOM 0 H THR A 31 4.484 -7.004 1.393 1.00 0.00 H new ATOM 0 HA THR A 31 4.051 -6.814 -1.410 1.00 0.00 H new ATOM 0 HB THR A 31 2.046 -6.762 0.881 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.965 -9.070 0.474 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.479 -7.685 -0.787 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.083 -6.081 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.737 -7.546 -2.038 1.00 0.00 H new ATOM 418 N LEU A 32 3.358 -4.212 0.478 1.00 0.00 N ATOM 419 CA LEU A 32 3.032 -2.790 0.455 1.00 0.00 C ATOM 420 C LEU A 32 4.056 -2.009 -0.362 1.00 0.00 C ATOM 421 O LEU A 32 3.696 -1.171 -1.187 1.00 0.00 O ATOM 422 CB LEU A 32 2.971 -2.238 1.880 1.00 0.00 C ATOM 423 CG LEU A 32 2.055 -2.984 2.851 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.124 -2.361 4.236 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.623 -2.989 2.337 1.00 0.00 C ATOM 0 H LEU A 32 3.607 -4.573 1.399 1.00 0.00 H new ATOM 0 HA LEU A 32 2.056 -2.674 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.980 -2.238 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.646 -1.199 1.832 1.00 0.00 H new ATOM 0 HG LEU A 32 2.398 -4.016 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.466 -2.905 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.148 -2.411 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.808 -1.319 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.014 -3.524 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.269 -1.963 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.587 -3.483 1.366 1.00 0.00 H new ATOM 437 N GLN A 33 5.333 -2.293 -0.126 1.00 0.00 N ATOM 438 CA GLN A 33 6.410 -1.618 -0.842 1.00 0.00 C ATOM 439 C GLN A 33 6.216 -1.732 -2.350 1.00 0.00 C ATOM 440 O GLN A 33 6.812 -0.980 -3.120 1.00 0.00 O ATOM 441 CB GLN A 33 7.764 -2.207 -0.443 1.00 0.00 C ATOM 442 CG GLN A 33 8.251 -1.745 0.921 1.00 0.00 C ATOM 443 CD GLN A 33 8.434 -0.242 0.997 1.00 0.00 C ATOM 444 OE1 GLN A 33 8.062 0.391 1.985 1.00 0.00 O ATOM 445 NE2 GLN A 33 9.009 0.338 -0.050 1.00 0.00 N ATOM 0 H GLN A 33 5.647 -2.985 0.554 1.00 0.00 H new ATOM 0 HA GLN A 33 6.387 -0.563 -0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.692 -3.295 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.505 -1.935 -1.195 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.538 -2.059 1.683 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.198 -2.234 1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.302 -0.226 -0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.158 1.347 -0.056 1.00 0.00 H new ATOM 454 N GLU A 34 5.379 -2.678 -2.764 1.00 0.00 N ATOM 455 CA GLU A 34 5.109 -2.891 -4.181 1.00 0.00 C ATOM 456 C GLU A 34 3.955 -2.010 -4.653 1.00 0.00 C ATOM 457 O GLU A 34 3.984 -1.469 -5.759 1.00 0.00 O ATOM 458 CB GLU A 34 4.783 -4.362 -4.446 1.00 0.00 C ATOM 459 CG GLU A 34 5.889 -5.316 -4.025 1.00 0.00 C ATOM 460 CD GLU A 34 6.985 -5.434 -5.066 1.00 0.00 C ATOM 461 OE1 GLU A 34 7.726 -4.448 -5.263 1.00 0.00 O ATOM 462 OE2 GLU A 34 7.102 -6.513 -5.683 1.00 0.00 O ATOM 0 H GLU A 34 4.877 -3.308 -2.139 1.00 0.00 H new ATOM 0 HA GLU A 34 6.004 -2.619 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.867 -4.624 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.585 -4.496 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.321 -4.973 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.462 -6.302 -3.839 1.00 0.00 H new ATOM 469 N VAL A 35 2.939 -1.872 -3.807 1.00 0.00 N ATOM 470 CA VAL A 35 1.775 -1.058 -4.136 1.00 0.00 C ATOM 471 C VAL A 35 2.130 0.425 -4.157 1.00 0.00 C ATOM 472 O VAL A 35 1.687 1.168 -5.033 1.00 0.00 O ATOM 473 CB VAL A 35 0.629 -1.286 -3.133 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.577 -0.435 -3.498 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.255 -2.759 -3.078 1.00 0.00 C ATOM 0 H VAL A 35 2.899 -2.314 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 35 1.445 -1.364 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 35 0.970 -0.984 -2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.377 -0.609 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.297 0.618 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.923 -0.703 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.556 -2.902 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.068 -3.090 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.121 -3.343 -2.765 1.00 0.00 H new ATOM 485 N PHE A 36 2.933 0.849 -3.187 1.00 0.00 N ATOM 486 CA PHE A 36 3.348 2.244 -3.093 1.00 0.00 C ATOM 487 C PHE A 36 4.846 2.384 -3.348 1.00 0.00 C ATOM 488 O PHE A 36 5.665 2.042 -2.497 1.00 0.00 O ATOM 489 CB PHE A 36 2.999 2.810 -1.715 1.00 0.00 C ATOM 490 CG PHE A 36 1.578 2.552 -1.303 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.564 3.419 -1.680 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.255 1.442 -0.539 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.744 3.183 -1.302 1.00 0.00 C ATOM 494 CE2 PHE A 36 -0.052 1.201 -0.158 1.00 0.00 C ATOM 495 CZ PHE A 36 -1.053 2.073 -0.541 1.00 0.00 C ATOM 0 H PHE A 36 3.309 0.247 -2.455 1.00 0.00 H new ATOM 0 HA PHE A 36 2.813 2.809 -3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.669 2.376 -0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.179 3.885 -1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.799 4.289 -2.276 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.034 0.757 -0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.525 3.867 -1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.290 0.332 0.438 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.075 1.887 -0.246 1.00 0.00 H new ATOM 505 N GLU A 37 5.194 2.889 -4.528 1.00 0.00 N ATOM 506 CA GLU A 37 6.593 3.073 -4.896 1.00 0.00 C ATOM 507 C GLU A 37 7.121 4.407 -4.375 1.00 0.00 C ATOM 508 O GLU A 37 8.326 4.579 -4.185 1.00 0.00 O ATOM 509 CB GLU A 37 6.756 3.006 -6.416 1.00 0.00 C ATOM 510 CG GLU A 37 6.468 1.632 -6.998 1.00 0.00 C ATOM 511 CD GLU A 37 7.139 1.415 -8.341 1.00 0.00 C ATOM 512 OE1 GLU A 37 6.600 1.898 -9.359 1.00 0.00 O ATOM 513 OE2 GLU A 37 8.203 0.763 -8.373 1.00 0.00 O ATOM 0 H GLU A 37 4.527 3.177 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 37 7.171 2.270 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.089 3.734 -6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.774 3.296 -6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.807 0.867 -6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.391 1.507 -7.110 1.00 0.00 H new ATOM 520 N LYS A 38 6.212 5.349 -4.148 1.00 0.00 N ATOM 521 CA LYS A 38 6.584 6.667 -3.649 1.00 0.00 C ATOM 522 C LYS A 38 6.683 6.665 -2.126 1.00 0.00 C ATOM 523 O LYS A 38 7.349 7.516 -1.537 1.00 0.00 O ATOM 524 CB LYS A 38 5.564 7.713 -4.102 1.00 0.00 C ATOM 525 CG LYS A 38 5.296 7.694 -5.597 1.00 0.00 C ATOM 526 CD LYS A 38 6.339 8.493 -6.360 1.00 0.00 C ATOM 527 CE LYS A 38 5.789 9.010 -7.681 1.00 0.00 C ATOM 528 NZ LYS A 38 6.500 10.237 -8.135 1.00 0.00 N ATOM 0 H LYS A 38 5.211 5.224 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 38 7.562 6.920 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.626 7.548 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.921 8.703 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.292 6.664 -5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.306 8.104 -5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.673 9.332 -5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.212 7.868 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.881 8.234 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.726 9.225 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.096 10.558 -9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.391 10.986 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.510 10.026 -8.263 1.00 0.00 H new ATOM 542 N ALA A 39 6.019 5.702 -1.496 1.00 0.00 N ATOM 543 CA ALA A 39 6.035 5.587 -0.043 1.00 0.00 C ATOM 544 C ALA A 39 7.462 5.629 0.495 1.00 0.00 C ATOM 545 O ALA A 39 8.232 4.685 0.315 1.00 0.00 O ATOM 546 CB ALA A 39 5.342 4.305 0.393 1.00 0.00 C ATOM 0 H ALA A 39 5.463 4.990 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 39 5.493 6.438 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.362 4.233 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.308 4.315 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.859 3.447 -0.037 1.00 0.00 H new ATOM 552 N THR A 40 7.808 6.730 1.155 1.00 0.00 N ATOM 553 CA THR A 40 9.143 6.895 1.717 1.00 0.00 C ATOM 554 C THR A 40 9.366 5.950 2.892 1.00 0.00 C ATOM 555 O THR A 40 10.503 5.690 3.285 1.00 0.00 O ATOM 556 CB THR A 40 9.379 8.344 2.185 1.00 0.00 C ATOM 557 OG1 THR A 40 8.515 8.650 3.285 1.00 0.00 O ATOM 558 CG2 THR A 40 9.132 9.327 1.051 1.00 0.00 C ATOM 0 H THR A 40 7.183 7.520 1.313 1.00 0.00 H new ATOM 0 HA THR A 40 9.852 6.657 0.924 1.00 0.00 H new ATOM 0 HB THR A 40 10.418 8.435 2.503 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.672 9.572 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.305 10.343 1.406 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.812 9.110 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.102 9.234 0.706 1.00 0.00 H new ATOM 566 N PHE A 41 8.273 5.439 3.449 1.00 0.00 N ATOM 567 CA PHE A 41 8.350 4.522 4.580 1.00 0.00 C ATOM 568 C PHE A 41 7.018 3.807 4.792 1.00 0.00 C ATOM 569 O PHE A 41 5.954 4.425 4.737 1.00 0.00 O ATOM 570 CB PHE A 41 8.743 5.278 5.851 1.00 0.00 C ATOM 571 CG PHE A 41 9.324 4.395 6.918 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.665 4.046 6.893 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.530 3.914 7.947 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.202 3.233 7.874 1.00 0.00 C ATOM 575 CE2 PHE A 41 9.061 3.101 8.930 1.00 0.00 C ATOM 576 CZ PHE A 41 10.399 2.761 8.894 1.00 0.00 C ATOM 0 H PHE A 41 7.324 5.644 3.136 1.00 0.00 H new ATOM 0 HA PHE A 41 9.113 3.775 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.468 6.050 5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.864 5.785 6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.298 4.413 6.098 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.483 4.178 7.981 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.248 2.967 7.843 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.431 2.732 9.725 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.817 2.127 9.662 1.00 0.00 H new ATOM 586 N ILE A 42 7.086 2.502 5.033 1.00 0.00 N ATOM 587 CA ILE A 42 5.887 1.703 5.254 1.00 0.00 C ATOM 588 C ILE A 42 5.964 0.950 6.578 1.00 0.00 C ATOM 589 O ILE A 42 6.953 0.277 6.866 1.00 0.00 O ATOM 590 CB ILE A 42 5.667 0.692 4.113 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.523 1.421 2.776 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.439 -0.162 4.392 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.141 0.511 1.629 1.00 0.00 C ATOM 0 H ILE A 42 7.958 1.976 5.080 1.00 0.00 H new ATOM 0 HA ILE A 42 5.046 2.396 5.282 1.00 0.00 H new ATOM 0 HB ILE A 42 6.536 0.037 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.769 2.202 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.464 1.916 2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.296 -0.872 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.579 -0.706 5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.561 0.479 4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.057 1.096 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.906 -0.255 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.184 0.035 1.845 1.00 0.00 H new ATOM 605 N LYS A 43 4.911 1.067 7.380 1.00 0.00 N ATOM 606 CA LYS A 43 4.856 0.396 8.673 1.00 0.00 C ATOM 607 C LYS A 43 3.625 -0.500 8.769 1.00 0.00 C ATOM 608 O LYS A 43 2.513 -0.082 8.444 1.00 0.00 O ATOM 609 CB LYS A 43 4.840 1.426 9.805 1.00 0.00 C ATOM 610 CG LYS A 43 5.232 0.852 11.156 1.00 0.00 C ATOM 611 CD LYS A 43 6.739 0.855 11.346 1.00 0.00 C ATOM 612 CE LYS A 43 7.153 -0.003 12.532 1.00 0.00 C ATOM 613 NZ LYS A 43 8.625 0.030 12.754 1.00 0.00 N ATOM 0 H LYS A 43 4.084 1.621 7.157 1.00 0.00 H new ATOM 0 HA LYS A 43 5.745 -0.227 8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.521 2.240 9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.841 1.857 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.763 1.434 11.950 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.855 -0.167 11.243 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.222 0.485 10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.086 1.877 11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.643 0.347 13.429 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.834 -1.032 12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.866 -0.567 13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.112 -0.328 11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.926 1.008 12.939 1.00 0.00 H new ATOM 627 N VAL A 44 3.830 -1.733 9.219 1.00 0.00 N ATOM 628 CA VAL A 44 2.736 -2.687 9.361 1.00 0.00 C ATOM 629 C VAL A 44 2.799 -3.400 10.707 1.00 0.00 C ATOM 630 O VAL A 44 3.551 -4.357 10.896 1.00 0.00 O ATOM 631 CB VAL A 44 2.759 -3.738 8.234 1.00 0.00 C ATOM 632 CG1 VAL A 44 4.111 -4.432 8.178 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.639 -4.749 8.427 1.00 0.00 C ATOM 0 H VAL A 44 4.744 -2.095 9.492 1.00 0.00 H new ATOM 0 HA VAL A 44 1.809 -2.117 9.299 1.00 0.00 H new ATOM 0 HB VAL A 44 2.599 -3.230 7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.108 -5.170 7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.891 -3.694 7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.304 -4.929 9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.670 -5.484 7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.766 -5.254 9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.678 -4.235 8.412 1.00 0.00 H new ATOM 643 N PRO A 45 1.991 -2.925 11.666 1.00 0.00 N ATOM 644 CA PRO A 45 1.936 -3.503 13.012 1.00 0.00 C ATOM 645 C PRO A 45 1.297 -4.888 13.023 1.00 0.00 C ATOM 646 O PRO A 45 0.169 -5.063 12.563 1.00 0.00 O ATOM 647 CB PRO A 45 1.070 -2.509 13.790 1.00 0.00 C ATOM 648 CG PRO A 45 0.226 -1.851 12.754 1.00 0.00 C ATOM 649 CD PRO A 45 1.069 -1.788 11.511 1.00 0.00 C ATOM 0 HA PRO A 45 2.930 -3.645 13.435 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.458 -3.016 14.536 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.683 -1.781 14.322 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.688 -2.418 12.577 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.075 -0.853 13.072 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.463 -1.882 10.610 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.606 -0.842 11.437 1.00 0.00 H new ATOM 657 N GLN A 46 2.025 -5.866 13.550 1.00 0.00 N ATOM 658 CA GLN A 46 1.527 -7.235 13.620 1.00 0.00 C ATOM 659 C GLN A 46 1.413 -7.700 15.068 1.00 0.00 C ATOM 660 O GLN A 46 1.836 -7.003 15.989 1.00 0.00 O ATOM 661 CB GLN A 46 2.449 -8.175 12.841 1.00 0.00 C ATOM 662 CG GLN A 46 2.487 -7.891 11.348 1.00 0.00 C ATOM 663 CD GLN A 46 2.822 -9.122 10.528 1.00 0.00 C ATOM 664 OE1 GLN A 46 2.846 -10.239 11.046 1.00 0.00 O ATOM 665 NE2 GLN A 46 3.084 -8.923 9.242 1.00 0.00 N ATOM 0 H GLN A 46 2.961 -5.737 13.935 1.00 0.00 H new ATOM 0 HA GLN A 46 0.534 -7.257 13.172 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.459 -8.096 13.243 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.123 -9.203 12.999 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.520 -7.500 11.032 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.225 -7.114 11.148 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.052 -7.980 8.855 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.317 -9.713 8.641 1.00 0.00 H new ATOM 674 N ASN A 47 0.838 -8.883 15.261 1.00 0.00 N ATOM 675 CA ASN A 47 0.668 -9.441 16.598 1.00 0.00 C ATOM 676 C ASN A 47 1.909 -10.219 17.025 1.00 0.00 C ATOM 677 O ASN A 47 2.846 -10.386 16.246 1.00 0.00 O ATOM 678 CB ASN A 47 -0.559 -10.353 16.639 1.00 0.00 C ATOM 679 CG ASN A 47 -1.860 -9.575 16.603 1.00 0.00 C ATOM 680 OD1 ASN A 47 -2.128 -8.751 17.477 1.00 0.00 O ATOM 681 ND2 ASN A 47 -2.676 -9.834 15.587 1.00 0.00 N ATOM 0 H ASN A 47 0.482 -9.473 14.509 1.00 0.00 H new ATOM 0 HA ASN A 47 0.522 -8.615 17.294 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.526 -11.040 15.793 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.527 -10.960 17.544 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.566 -9.341 15.509 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.413 -10.526 14.885 1.00 0.00 H new ATOM 688 N GLN A 48 1.905 -10.691 18.267 1.00 0.00 N ATOM 689 CA GLN A 48 3.031 -11.451 18.798 1.00 0.00 C ATOM 690 C GLN A 48 3.253 -12.728 17.994 1.00 0.00 C ATOM 691 O GLN A 48 4.349 -13.287 17.988 1.00 0.00 O ATOM 692 CB GLN A 48 2.793 -11.796 20.269 1.00 0.00 C ATOM 693 CG GLN A 48 2.976 -10.615 21.208 1.00 0.00 C ATOM 694 CD GLN A 48 1.784 -9.678 21.206 1.00 0.00 C ATOM 695 OE1 GLN A 48 1.928 -8.472 21.001 1.00 0.00 O ATOM 696 NE2 GLN A 48 0.597 -10.228 21.435 1.00 0.00 N ATOM 0 H GLN A 48 1.136 -10.561 18.924 1.00 0.00 H new ATOM 0 HA GLN A 48 3.925 -10.832 18.717 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.782 -12.187 20.383 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.477 -12.592 20.562 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.142 -10.983 22.220 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.869 -10.061 20.919 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.523 -11.232 21.600 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.241 -9.647 21.446 1.00 0.00 H new ATOM 705 N ASN A 49 2.205 -13.184 17.316 1.00 0.00 N ATOM 706 CA ASN A 49 2.286 -14.396 16.508 1.00 0.00 C ATOM 707 C ASN A 49 2.828 -14.087 15.116 1.00 0.00 C ATOM 708 O ASN A 49 3.828 -14.661 14.687 1.00 0.00 O ATOM 709 CB ASN A 49 0.908 -15.053 16.397 1.00 0.00 C ATOM 710 CG ASN A 49 -0.220 -14.039 16.431 1.00 0.00 C ATOM 711 OD1 ASN A 49 -0.441 -13.373 17.442 1.00 0.00 O ATOM 712 ND2 ASN A 49 -0.939 -13.918 15.321 1.00 0.00 N ATOM 0 H ASN A 49 1.290 -12.733 17.310 1.00 0.00 H new ATOM 0 HA ASN A 49 2.972 -15.086 17.000 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.853 -15.622 15.469 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.780 -15.763 17.214 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.710 -13.252 15.283 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.720 -14.491 14.506 1.00 0.00 H new ATOM 719 N GLY A 50 2.160 -13.176 14.415 1.00 0.00 N ATOM 720 CA GLY A 50 2.590 -12.806 13.079 1.00 0.00 C ATOM 721 C GLY A 50 1.427 -12.451 12.174 1.00 0.00 C ATOM 722 O GLY A 50 1.443 -12.758 10.981 1.00 0.00 O ATOM 0 H GLY A 50 1.329 -12.688 14.748 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.270 -11.957 13.142 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.150 -13.631 12.639 1.00 0.00 H new ATOM 726 N LYS A 51 0.415 -11.804 12.740 1.00 0.00 N ATOM 727 CA LYS A 51 -0.763 -11.407 11.977 1.00 0.00 C ATOM 728 C LYS A 51 -1.016 -9.909 12.108 1.00 0.00 C ATOM 729 O LYS A 51 -1.182 -9.392 13.212 1.00 0.00 O ATOM 730 CB LYS A 51 -1.991 -12.186 12.452 1.00 0.00 C ATOM 731 CG LYS A 51 -2.087 -13.585 11.869 1.00 0.00 C ATOM 732 CD LYS A 51 -3.475 -14.175 12.059 1.00 0.00 C ATOM 733 CE LYS A 51 -3.614 -15.513 11.351 1.00 0.00 C ATOM 734 NZ LYS A 51 -3.498 -15.373 9.873 1.00 0.00 N ATOM 0 H LYS A 51 0.386 -11.543 13.726 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.579 -11.636 10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.968 -12.256 13.540 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.889 -11.629 12.187 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.846 -13.555 10.806 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.348 -14.230 12.345 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.674 -14.303 13.123 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.222 -13.480 11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.846 -16.197 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.578 -15.957 11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.937 -16.195 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.982 -14.505 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.494 -15.322 9.607 1.00 0.00 H new ATOM 748 N SER A 52 -1.046 -9.217 10.973 1.00 0.00 N ATOM 749 CA SER A 52 -1.277 -7.777 10.962 1.00 0.00 C ATOM 750 C SER A 52 -2.533 -7.422 11.751 1.00 0.00 C ATOM 751 O SER A 52 -3.540 -8.128 11.690 1.00 0.00 O ATOM 752 CB SER A 52 -1.405 -7.271 9.523 1.00 0.00 C ATOM 753 OG SER A 52 -0.965 -5.929 9.414 1.00 0.00 O ATOM 0 H SER A 52 -0.913 -9.630 10.050 1.00 0.00 H new ATOM 0 HA SER A 52 -0.423 -7.293 11.436 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.818 -7.905 8.858 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.443 -7.344 9.199 1.00 0.00 H new ATOM 0 HG SER A 52 -1.701 -5.368 9.091 1.00 0.00 H new ATOM 759 N LYS A 53 -2.466 -6.322 12.494 1.00 0.00 N ATOM 760 CA LYS A 53 -3.597 -5.870 13.296 1.00 0.00 C ATOM 761 C LYS A 53 -4.798 -5.549 12.412 1.00 0.00 C ATOM 762 O LYS A 53 -5.933 -5.505 12.883 1.00 0.00 O ATOM 763 CB LYS A 53 -3.208 -4.636 14.114 1.00 0.00 C ATOM 764 CG LYS A 53 -1.939 -4.822 14.929 1.00 0.00 C ATOM 765 CD LYS A 53 -1.927 -3.923 16.154 1.00 0.00 C ATOM 766 CE LYS A 53 -1.145 -4.551 17.297 1.00 0.00 C ATOM 767 NZ LYS A 53 -1.663 -4.120 18.626 1.00 0.00 N ATOM 0 H LYS A 53 -1.640 -5.727 12.557 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.874 -6.676 13.975 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.076 -3.790 13.439 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.028 -4.383 14.786 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.854 -5.863 15.240 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.071 -4.603 14.307 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.486 -2.960 15.896 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.951 -3.729 16.475 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.199 -5.637 17.221 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.093 -4.278 17.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.104 -4.569 19.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.588 -3.086 18.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.659 -4.403 18.719 1.00 0.00 H new ATOM 781 N GLY A 54 -4.538 -5.327 11.127 1.00 0.00 N ATOM 782 CA GLY A 54 -5.608 -5.014 10.197 1.00 0.00 C ATOM 783 C GLY A 54 -5.444 -3.647 9.563 1.00 0.00 C ATOM 784 O GLY A 54 -6.291 -3.211 8.784 1.00 0.00 O ATOM 0 H GLY A 54 -3.606 -5.358 10.713 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.639 -5.772 9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.564 -5.056 10.720 1.00 0.00 H new ATOM 788 N TYR A 55 -4.352 -2.969 9.898 1.00 0.00 N ATOM 789 CA TYR A 55 -4.082 -1.641 9.359 1.00 0.00 C ATOM 790 C TYR A 55 -2.582 -1.415 9.195 1.00 0.00 C ATOM 791 O TYR A 55 -1.768 -2.215 9.655 1.00 0.00 O ATOM 792 CB TYR A 55 -4.675 -0.567 10.271 1.00 0.00 C ATOM 793 CG TYR A 55 -4.501 -0.860 11.744 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.326 -1.771 12.393 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.514 -0.226 12.488 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.172 -2.042 13.739 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.352 -0.491 13.834 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.183 -1.400 14.455 1.00 0.00 C ATOM 799 OH TYR A 55 -4.026 -1.666 15.795 1.00 0.00 O ATOM 0 H TYR A 55 -3.640 -3.317 10.540 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.551 -1.573 8.377 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.208 0.391 10.042 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.738 -0.463 10.053 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.101 -2.276 11.835 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.862 0.487 12.006 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.822 -2.752 14.228 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.579 0.011 14.397 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.285 -1.132 16.150 1.00 0.00 H new ATOM 809 N ALA A 56 -2.224 -0.317 8.538 1.00 0.00 N ATOM 810 CA ALA A 56 -0.823 0.018 8.315 1.00 0.00 C ATOM 811 C ALA A 56 -0.622 1.529 8.260 1.00 0.00 C ATOM 812 O ALA A 56 -1.581 2.296 8.345 1.00 0.00 O ATOM 813 CB ALA A 56 -0.322 -0.631 7.033 1.00 0.00 C ATOM 0 H ALA A 56 -2.885 0.356 8.151 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.245 -0.369 9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.726 -0.372 6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.421 -1.714 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.912 -0.273 6.189 1.00 0.00 H new ATOM 819 N PHE A 57 0.631 1.949 8.117 1.00 0.00 N ATOM 820 CA PHE A 57 0.958 3.369 8.052 1.00 0.00 C ATOM 821 C PHE A 57 1.923 3.653 6.905 1.00 0.00 C ATOM 822 O PHE A 57 3.087 3.253 6.946 1.00 0.00 O ATOM 823 CB PHE A 57 1.569 3.834 9.375 1.00 0.00 C ATOM 824 CG PHE A 57 0.585 3.876 10.509 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.394 4.856 10.558 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.638 2.936 11.525 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.301 4.897 11.600 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.267 2.972 12.569 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.237 3.954 12.607 1.00 0.00 C ATOM 0 H PHE A 57 1.436 1.327 8.044 1.00 0.00 H new ATOM 0 HA PHE A 57 0.036 3.921 7.872 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.389 3.167 9.641 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.997 4.827 9.239 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.449 5.596 9.773 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.395 2.166 11.501 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.059 5.666 11.627 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.216 2.233 13.355 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.944 3.985 13.423 1.00 0.00 H new ATOM 839 N ILE A 58 1.431 4.344 5.882 1.00 0.00 N ATOM 840 CA ILE A 58 2.249 4.681 4.724 1.00 0.00 C ATOM 841 C ILE A 58 2.757 6.117 4.810 1.00 0.00 C ATOM 842 O ILE A 58 1.996 7.038 5.106 1.00 0.00 O ATOM 843 CB ILE A 58 1.465 4.503 3.410 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.482 3.338 3.532 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.423 4.277 2.250 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.155 1.995 3.712 1.00 0.00 C ATOM 0 H ILE A 58 0.470 4.681 5.832 1.00 0.00 H new ATOM 0 HA ILE A 58 3.098 3.997 4.726 1.00 0.00 H new ATOM 0 HB ILE A 58 0.897 5.413 3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.181 3.519 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.143 3.305 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.855 4.153 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.087 5.136 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.014 3.380 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.397 1.216 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.796 1.791 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.758 2.009 4.620 1.00 0.00 H new ATOM 858 N GLU A 59 4.047 6.299 4.546 1.00 0.00 N ATOM 859 CA GLU A 59 4.656 7.623 4.592 1.00 0.00 C ATOM 860 C GLU A 59 5.207 8.016 3.225 1.00 0.00 C ATOM 861 O GLU A 59 5.806 7.199 2.526 1.00 0.00 O ATOM 862 CB GLU A 59 5.776 7.658 5.635 1.00 0.00 C ATOM 863 CG GLU A 59 6.044 9.045 6.193 1.00 0.00 C ATOM 864 CD GLU A 59 7.367 9.131 6.929 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.312 8.415 6.535 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.458 9.914 7.898 1.00 0.00 O ATOM 0 H GLU A 59 4.690 5.547 4.298 1.00 0.00 H new ATOM 0 HA GLU A 59 3.885 8.340 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.518 6.989 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.692 7.273 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.038 9.768 5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.237 9.322 6.871 1.00 0.00 H new ATOM 873 N PHE A 60 4.999 9.274 2.849 1.00 0.00 N ATOM 874 CA PHE A 60 5.473 9.777 1.565 1.00 0.00 C ATOM 875 C PHE A 60 6.327 11.027 1.752 1.00 0.00 C ATOM 876 O PHE A 60 6.614 11.433 2.878 1.00 0.00 O ATOM 877 CB PHE A 60 4.289 10.087 0.646 1.00 0.00 C ATOM 878 CG PHE A 60 3.448 8.885 0.325 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.593 8.348 1.272 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.515 8.292 -0.926 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.817 7.241 0.979 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.742 7.186 -1.225 1.00 0.00 C ATOM 883 CZ PHE A 60 1.893 6.659 -0.271 1.00 0.00 C ATOM 0 H PHE A 60 4.505 9.964 3.416 1.00 0.00 H new ATOM 0 HA PHE A 60 6.088 9.004 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.662 10.844 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.663 10.517 -0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.531 8.799 2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.178 8.699 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.153 6.833 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.802 6.734 -2.204 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.290 5.793 -0.502 1.00 0.00 H new ATOM 893 N ALA A 61 6.732 11.632 0.640 1.00 0.00 N ATOM 894 CA ALA A 61 7.552 12.836 0.680 1.00 0.00 C ATOM 895 C ALA A 61 6.721 14.054 1.070 1.00 0.00 C ATOM 896 O ALA A 61 7.232 15.002 1.666 1.00 0.00 O ATOM 897 CB ALA A 61 8.224 13.062 -0.666 1.00 0.00 C ATOM 0 H ALA A 61 6.505 11.307 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 61 8.322 12.696 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.833 13.965 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.858 12.208 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.463 13.176 -1.438 1.00 0.00 H new ATOM 903 N SER A 62 5.436 14.022 0.729 1.00 0.00 N ATOM 904 CA SER A 62 4.535 15.125 1.039 1.00 0.00 C ATOM 905 C SER A 62 3.103 14.786 0.639 1.00 0.00 C ATOM 906 O SER A 62 2.821 13.682 0.173 1.00 0.00 O ATOM 907 CB SER A 62 4.989 16.399 0.323 1.00 0.00 C ATOM 908 OG SER A 62 4.646 17.554 1.070 1.00 0.00 O ATOM 0 H SER A 62 4.996 13.244 0.238 1.00 0.00 H new ATOM 0 HA SER A 62 4.563 15.292 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.068 16.369 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.528 16.450 -0.663 1.00 0.00 H new ATOM 0 HG SER A 62 4.948 18.354 0.592 1.00 0.00 H new ATOM 914 N PHE A 63 2.200 15.744 0.826 1.00 0.00 N ATOM 915 CA PHE A 63 0.796 15.547 0.486 1.00 0.00 C ATOM 916 C PHE A 63 0.626 15.322 -1.014 1.00 0.00 C ATOM 917 O PHE A 63 -0.451 14.949 -1.477 1.00 0.00 O ATOM 918 CB PHE A 63 -0.032 16.756 0.928 1.00 0.00 C ATOM 919 CG PHE A 63 -1.345 16.878 0.210 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.338 15.928 0.389 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.588 17.943 -0.642 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.547 16.038 -0.271 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.796 18.058 -1.304 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.777 17.105 -1.118 1.00 0.00 C ATOM 0 H PHE A 63 2.416 16.664 1.211 1.00 0.00 H new ATOM 0 HA PHE A 63 0.442 14.660 1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.218 16.687 2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.549 17.664 0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.165 15.093 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.825 18.692 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.312 15.290 -0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.972 18.893 -1.966 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.722 17.193 -1.633 1.00 0.00 H new ATOM 934 N GLU A 64 1.697 15.551 -1.766 1.00 0.00 N ATOM 935 CA GLU A 64 1.666 15.375 -3.213 1.00 0.00 C ATOM 936 C GLU A 64 1.657 13.894 -3.581 1.00 0.00 C ATOM 937 O GLU A 64 0.688 13.391 -4.151 1.00 0.00 O ATOM 938 CB GLU A 64 2.870 16.064 -3.860 1.00 0.00 C ATOM 939 CG GLU A 64 2.605 17.507 -4.255 1.00 0.00 C ATOM 940 CD GLU A 64 2.772 18.470 -3.096 1.00 0.00 C ATOM 941 OE1 GLU A 64 3.745 18.310 -2.329 1.00 0.00 O ATOM 942 OE2 GLU A 64 1.932 19.383 -2.956 1.00 0.00 O ATOM 0 H GLU A 64 2.597 15.859 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 64 0.750 15.831 -3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.711 16.034 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.167 15.502 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.285 17.790 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.592 17.592 -4.650 1.00 0.00 H new ATOM 949 N ASP A 65 2.741 13.201 -3.250 1.00 0.00 N ATOM 950 CA ASP A 65 2.859 11.778 -3.544 1.00 0.00 C ATOM 951 C ASP A 65 1.763 10.985 -2.839 1.00 0.00 C ATOM 952 O ASP A 65 0.991 10.271 -3.478 1.00 0.00 O ATOM 953 CB ASP A 65 4.234 11.260 -3.119 1.00 0.00 C ATOM 954 CG ASP A 65 5.317 11.602 -4.123 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.064 12.453 -5.001 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.417 11.017 -4.032 1.00 0.00 O ATOM 0 H ASP A 65 3.551 13.602 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 65 2.745 11.644 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.495 11.684 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.188 10.178 -2.992 1.00 0.00 H new ATOM 961 N ALA A 66 1.701 11.115 -1.518 1.00 0.00 N ATOM 962 CA ALA A 66 0.700 10.412 -0.726 1.00 0.00 C ATOM 963 C ALA A 66 -0.661 10.438 -1.415 1.00 0.00 C ATOM 964 O ALA A 66 -1.360 9.426 -1.471 1.00 0.00 O ATOM 965 CB ALA A 66 0.602 11.023 0.664 1.00 0.00 C ATOM 0 H ALA A 66 2.333 11.702 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 66 1.011 9.372 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.150 10.488 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.568 10.948 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.317 12.072 0.581 1.00 0.00 H new ATOM 971 N LYS A 67 -1.033 11.602 -1.936 1.00 0.00 N ATOM 972 CA LYS A 67 -2.310 11.761 -2.622 1.00 0.00 C ATOM 973 C LYS A 67 -2.300 11.040 -3.966 1.00 0.00 C ATOM 974 O LYS A 67 -3.329 10.540 -4.419 1.00 0.00 O ATOM 975 CB LYS A 67 -2.619 13.246 -2.830 1.00 0.00 C ATOM 976 CG LYS A 67 -3.829 13.497 -3.713 1.00 0.00 C ATOM 977 CD LYS A 67 -5.098 12.938 -3.091 1.00 0.00 C ATOM 978 CE LYS A 67 -5.570 13.792 -1.924 1.00 0.00 C ATOM 979 NZ LYS A 67 -6.976 13.482 -1.543 1.00 0.00 N ATOM 0 H LYS A 67 -0.468 12.450 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.086 11.318 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.785 13.714 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.749 13.731 -3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.945 14.568 -3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.669 13.040 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.882 12.886 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.918 11.919 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.917 13.628 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.490 14.846 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.260 14.085 -0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.603 13.662 -2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.048 12.482 -1.265 1.00 0.00 H new ATOM 993 N GLU A 68 -1.130 10.989 -4.596 1.00 0.00 N ATOM 994 CA GLU A 68 -0.988 10.327 -5.888 1.00 0.00 C ATOM 995 C GLU A 68 -1.319 8.842 -5.778 1.00 0.00 C ATOM 996 O GLU A 68 -1.914 8.259 -6.684 1.00 0.00 O ATOM 997 CB GLU A 68 0.435 10.505 -6.423 1.00 0.00 C ATOM 998 CG GLU A 68 0.706 9.729 -7.701 1.00 0.00 C ATOM 999 CD GLU A 68 0.342 10.513 -8.947 1.00 0.00 C ATOM 1000 OE1 GLU A 68 -0.852 10.526 -9.311 1.00 0.00 O ATOM 1001 OE2 GLU A 68 1.252 11.111 -9.558 1.00 0.00 O ATOM 0 H GLU A 68 -0.268 11.397 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.691 10.788 -6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.616 11.564 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.144 10.188 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.761 9.459 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.140 8.798 -7.684 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.930 8.236 -4.661 1.00 0.00 N ATOM 1009 CA ALA A 69 -1.186 6.819 -4.431 1.00 0.00 C ATOM 1010 C ALA A 69 -2.544 6.608 -3.770 1.00 0.00 C ATOM 1011 O ALA A 69 -3.238 5.629 -4.052 1.00 0.00 O ATOM 1012 CB ALA A 69 -0.082 6.215 -3.577 1.00 0.00 C ATOM 0 H ALA A 69 -0.436 8.704 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.199 6.315 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.286 5.157 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.875 6.325 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.042 6.729 -2.617 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.918 7.529 -2.889 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.194 7.443 -2.187 1.00 0.00 C ATOM 1020 C LEU A 70 -5.361 7.545 -3.164 1.00 0.00 C ATOM 1021 O LEU A 70 -6.466 7.088 -2.876 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.296 8.549 -1.135 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.708 9.035 -0.806 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.462 7.982 -0.008 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.655 10.350 -0.043 1.00 0.00 C ATOM 0 H LEU A 70 -2.356 8.344 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.243 6.473 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.833 8.192 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.710 9.402 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.242 9.203 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.465 8.345 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.531 7.064 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.931 7.782 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.669 10.681 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.104 10.209 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.154 11.104 -0.651 1.00 0.00 H new ATOM 1037 N ASN A 71 -5.106 8.147 -4.321 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.135 8.309 -5.342 1.00 0.00 C ATOM 1039 C ASN A 71 -6.380 6.996 -6.080 1.00 0.00 C ATOM 1040 O ASN A 71 -7.518 6.658 -6.406 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.731 9.398 -6.336 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.191 10.777 -5.903 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.339 10.961 -5.497 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.296 11.754 -5.988 1.00 0.00 N ATOM 0 H ASN A 71 -4.196 8.531 -4.575 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.060 8.605 -4.846 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.647 9.399 -6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.153 9.168 -7.314 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.549 12.703 -5.711 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.356 11.556 -6.330 1.00 0.00 H new ATOM 1051 N SER A 72 -5.304 6.261 -6.341 1.00 0.00 N ATOM 1052 CA SER A 72 -5.400 4.987 -7.043 1.00 0.00 C ATOM 1053 C SER A 72 -5.429 3.823 -6.057 1.00 0.00 C ATOM 1054 O SER A 72 -6.439 3.130 -5.926 1.00 0.00 O ATOM 1055 CB SER A 72 -4.225 4.822 -8.009 1.00 0.00 C ATOM 1056 OG SER A 72 -4.587 4.023 -9.122 1.00 0.00 O ATOM 0 H SER A 72 -4.355 6.526 -6.077 1.00 0.00 H new ATOM 0 HA SER A 72 -6.331 4.983 -7.610 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.893 5.802 -8.353 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.383 4.365 -7.488 1.00 0.00 H new ATOM 0 HG SER A 72 -3.819 3.934 -9.725 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.314 3.615 -5.365 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.210 2.535 -4.390 1.00 0.00 C ATOM 1064 C CYS A 73 -5.527 2.345 -3.646 1.00 0.00 C ATOM 1065 O CYS A 73 -5.863 1.237 -3.230 1.00 0.00 O ATOM 1066 CB CYS A 73 -3.085 2.825 -3.395 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.462 3.045 -4.159 1.00 0.00 S ATOM 0 H CYS A 73 -3.470 4.180 -5.461 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.982 1.615 -4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.335 3.725 -2.833 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.029 2.006 -2.678 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.539 2.964 -3.247 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.270 3.435 -3.480 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.551 3.388 -2.784 1.00 0.00 C ATOM 1075 C ASN A 74 -8.279 2.079 -3.072 1.00 0.00 C ATOM 1076 O ASN A 74 -8.523 1.732 -4.227 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.424 4.574 -3.200 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.363 5.016 -2.095 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.575 5.109 -2.294 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.807 5.292 -0.921 1.00 0.00 N ATOM 0 H ASN A 74 -6.007 4.361 -3.818 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.357 3.446 -1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.785 5.409 -3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.006 4.302 -4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.389 5.595 -0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.798 5.201 -0.801 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.626 1.356 -2.012 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.329 0.086 -2.148 1.00 0.00 C ATOM 1089 C LYS A 75 -8.545 -0.877 -3.033 1.00 0.00 C ATOM 1090 O LYS A 75 -9.088 -1.447 -3.980 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.725 0.312 -2.734 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.561 1.307 -1.948 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.770 1.771 -2.743 1.00 0.00 C ATOM 1094 CE LYS A 75 -13.378 3.031 -2.147 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.262 3.733 -3.119 1.00 0.00 N ATOM 0 H LYS A 75 -8.431 1.629 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.425 -0.356 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.626 0.664 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.252 -0.641 -2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.891 0.849 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.948 2.168 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.477 1.960 -3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.519 0.979 -2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.951 2.772 -1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.581 3.704 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.657 4.587 -2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.710 4.003 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.037 3.100 -3.403 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.266 -1.055 -2.718 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.407 -1.950 -3.485 1.00 0.00 C ATOM 1111 C ARG A 76 -6.582 -3.395 -3.027 1.00 0.00 C ATOM 1112 O ARG A 76 -6.364 -3.717 -1.860 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.943 -1.533 -3.342 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.963 -2.537 -3.927 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.677 -2.247 -5.392 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.423 -2.852 -5.835 1.00 0.00 N ATOM 1117 CZ ARG A 76 -1.716 -2.406 -6.867 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.137 -1.356 -7.560 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.585 -3.010 -7.209 1.00 0.00 N ATOM 0 H ARG A 76 -6.802 -0.591 -1.937 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.697 -1.881 -4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.799 -0.570 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.716 -1.390 -2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.032 -2.510 -3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.368 -3.544 -3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.497 -2.624 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.634 -1.169 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.071 -3.661 -5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.006 -0.889 -7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.592 -1.016 -8.352 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.258 -3.818 -6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.043 -2.667 -8.002 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.978 -4.261 -3.955 1.00 0.00 N ATOM 1134 CA GLU A 77 -7.183 -5.671 -3.646 1.00 0.00 C ATOM 1135 C GLU A 77 -5.848 -6.387 -3.461 1.00 0.00 C ATOM 1136 O GLU A 77 -5.145 -6.673 -4.431 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.987 -6.348 -4.758 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.490 -6.300 -4.538 1.00 0.00 C ATOM 1139 CD GLU A 77 -10.270 -6.286 -5.838 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -10.283 -7.324 -6.533 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.867 -5.238 -6.161 1.00 0.00 O ATOM 0 H GLU A 77 -7.163 -4.011 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.742 -5.734 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.752 -5.869 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.673 -7.389 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.794 -7.163 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.740 -5.411 -3.959 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.506 -6.674 -2.209 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.257 -7.357 -1.896 1.00 0.00 C ATOM 1150 C ILE A 78 -4.517 -8.682 -1.187 1.00 0.00 C ATOM 1151 O ILE A 78 -5.128 -8.715 -0.119 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.345 -6.485 -1.013 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -3.030 -5.163 -1.716 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -2.063 -7.232 -0.677 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -2.101 -4.267 -0.928 1.00 0.00 C ATOM 0 H ILE A 78 -6.076 -6.444 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.756 -7.548 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.868 -6.264 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.581 -5.375 -2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.962 -4.630 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.428 -6.603 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.306 -8.149 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.534 -7.480 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.921 -3.348 -1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.557 -4.025 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.154 -4.781 -0.761 1.00 0.00 H new ATOM 1167 N GLU A 79 -4.049 -9.771 -1.789 1.00 0.00 N ATOM 1168 CA GLU A 79 -4.230 -11.098 -1.213 1.00 0.00 C ATOM 1169 C GLU A 79 -5.712 -11.448 -1.109 1.00 0.00 C ATOM 1170 O GLU A 79 -6.118 -12.227 -0.248 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.579 -11.173 0.169 1.00 0.00 C ATOM 1172 CG GLU A 79 -2.098 -11.507 0.127 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.837 -12.955 -0.240 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.161 -13.842 0.577 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -1.309 -13.201 -1.345 1.00 0.00 O ATOM 0 H GLU A 79 -3.542 -9.760 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.749 -11.820 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.713 -10.218 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.096 -11.926 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.603 -10.858 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.654 -11.297 1.100 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.515 -10.865 -1.994 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.943 -11.126 -1.985 1.00 0.00 C ATOM 1184 C GLY A 80 -8.698 -10.187 -1.066 1.00 0.00 C ATOM 1185 O GLY A 80 -9.928 -10.146 -1.084 1.00 0.00 O ATOM 0 H GLY A 80 -6.202 -10.217 -2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.333 -11.030 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.119 -12.155 -1.672 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.961 -9.432 -0.258 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.569 -8.491 0.674 1.00 0.00 C ATOM 1191 C ARG A 81 -8.382 -7.054 0.196 1.00 0.00 C ATOM 1192 O ARG A 81 -7.271 -6.636 -0.126 1.00 0.00 O ATOM 1193 CB ARG A 81 -7.963 -8.658 2.069 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.459 -9.892 2.804 1.00 0.00 C ATOM 1195 CD ARG A 81 -7.732 -11.146 2.343 1.00 0.00 C ATOM 1196 NE ARG A 81 -8.416 -11.797 1.229 1.00 0.00 N ATOM 1197 CZ ARG A 81 -9.588 -12.412 1.345 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -10.202 -12.459 2.519 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -10.147 -12.981 0.286 1.00 0.00 N ATOM 0 H ARG A 81 -6.942 -9.454 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.637 -8.704 0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.878 -8.710 1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.193 -7.774 2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.315 -9.760 3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.530 -10.009 2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.717 -10.887 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.650 -11.844 3.176 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.970 -11.779 0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.775 -12.022 3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.102 -12.932 2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.677 -12.947 -0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.047 -13.453 0.376 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.478 -6.303 0.151 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.435 -4.913 -0.286 1.00 0.00 C ATOM 1215 C ALA A 82 -8.859 -4.013 0.802 1.00 0.00 C ATOM 1216 O ALA A 82 -9.285 -4.068 1.956 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.826 -4.441 -0.682 1.00 0.00 C ATOM 0 H ALA A 82 -10.407 -6.634 0.412 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.781 -4.852 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.779 -3.401 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.201 -5.059 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.496 -4.524 0.174 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.889 -3.187 0.427 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.255 -2.275 1.371 1.00 0.00 C ATOM 1225 C ILE A 83 -7.632 -0.827 1.075 1.00 0.00 C ATOM 1226 O ILE A 83 -7.521 -0.367 -0.062 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.721 -2.411 1.342 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.150 -1.724 0.099 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.319 -3.878 1.375 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.806 -0.268 0.318 1.00 0.00 C ATOM 0 H ILE A 83 -7.525 -3.130 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.617 -2.546 2.363 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.310 -1.922 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.254 -2.256 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.873 -1.800 -0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.232 -3.958 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.699 -4.339 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.737 -4.389 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.407 0.154 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.703 0.278 0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.059 -0.185 1.108 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.076 -0.114 2.105 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.468 1.282 1.955 1.00 0.00 C ATOM 1244 C ARG A 84 -7.411 2.210 2.545 1.00 0.00 C ATOM 1245 O ARG A 84 -6.696 1.841 3.478 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.816 1.530 2.633 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.273 2.978 2.568 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.447 3.235 3.501 1.00 0.00 C ATOM 1249 NE ARG A 84 -11.775 4.655 3.590 1.00 0.00 N ATOM 1250 CZ ARG A 84 -12.385 5.330 2.622 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -12.730 4.717 1.498 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -12.650 6.621 2.777 1.00 0.00 N ATOM 0 H ARG A 84 -8.173 -0.480 3.052 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.560 1.495 0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.571 0.898 2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.749 1.225 3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.445 3.634 2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.559 3.225 1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.318 2.683 3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.210 2.855 4.495 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.522 5.156 4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.527 3.725 1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.198 5.237 0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.385 7.096 3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.118 7.138 2.033 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.316 3.415 1.995 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.345 4.397 2.466 1.00 0.00 C ATOM 1268 C LEU A 85 -7.038 5.692 2.881 1.00 0.00 C ATOM 1269 O LEU A 85 -7.918 6.188 2.179 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.311 4.685 1.376 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.508 3.483 0.879 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.094 3.681 -0.571 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.286 3.258 1.758 1.00 0.00 C ATOM 0 H LEU A 85 -7.899 3.736 1.222 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.839 3.982 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.825 5.131 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.613 5.432 1.754 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.141 2.598 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.523 2.816 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.983 3.793 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.478 4.577 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.726 2.398 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.651 4.143 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.605 3.071 2.783 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.632 6.233 4.025 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.213 7.471 4.532 1.00 0.00 C ATOM 1287 C GLU A 86 -6.134 8.381 5.113 1.00 0.00 C ATOM 1288 O GLU A 86 -5.274 7.935 5.874 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.267 7.166 5.599 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.670 7.000 5.038 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.728 6.939 6.123 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -11.093 8.008 6.655 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.190 5.823 6.439 1.00 0.00 O ATOM 0 H GLU A 86 -5.904 5.834 4.618 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.689 7.987 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.985 6.254 6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.271 7.971 6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.890 7.831 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.713 6.089 4.442 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.186 9.657 4.748 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.214 10.631 5.232 1.00 0.00 C ATOM 1302 C LEU A 87 -5.260 10.737 6.753 1.00 0.00 C ATOM 1303 O LEU A 87 -6.263 11.163 7.324 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.480 12.001 4.606 1.00 0.00 C ATOM 1305 CG LEU A 87 -5.009 12.182 3.162 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.404 13.555 2.640 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.503 11.985 3.064 1.00 0.00 C ATOM 0 H LEU A 87 -6.891 10.041 4.119 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.220 10.291 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.552 12.194 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.998 12.760 5.222 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.495 11.427 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.061 13.666 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.489 13.659 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.946 14.326 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.185 12.117 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.999 12.717 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.245 10.980 3.397 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.166 10.349 7.401 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.082 10.402 8.856 1.00 0.00 C ATOM 1321 C GLN A 88 -4.065 11.845 9.348 1.00 0.00 C ATOM 1322 O GLN A 88 -3.675 12.756 8.619 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.829 9.671 9.342 1.00 0.00 C ATOM 1324 CG GLN A 88 -2.996 9.019 10.706 1.00 0.00 C ATOM 1325 CD GLN A 88 -2.597 9.938 11.844 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -3.447 10.440 12.579 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -1.297 10.161 11.996 1.00 0.00 N ATOM 0 H GLN A 88 -3.327 9.995 6.942 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.964 9.908 9.264 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.559 8.906 8.614 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.000 10.377 9.385 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.035 8.717 10.835 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.393 8.112 10.748 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.627 9.724 11.363 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.968 10.770 12.746 1.00 0.00 H new ATOM 1336 N GLY A 89 -4.493 12.047 10.591 1.00 0.00 N ATOM 1337 CA GLY A 89 -4.519 13.382 11.159 1.00 0.00 C ATOM 1338 C GLY A 89 -3.131 13.914 11.456 1.00 0.00 C ATOM 1339 O GLY A 89 -2.154 13.167 11.502 1.00 0.00 O ATOM 0 H GLY A 89 -4.822 11.310 11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.023 14.058 10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.105 13.371 12.078 1.00 0.00 H new ATOM 1343 N PRO A 90 -3.031 15.235 11.662 1.00 0.00 N ATOM 1344 CA PRO A 90 -1.757 15.896 11.958 1.00 0.00 C ATOM 1345 C PRO A 90 -1.228 15.541 13.344 1.00 0.00 C ATOM 1346 O PRO A 90 -1.851 15.861 14.356 1.00 0.00 O ATOM 1347 CB PRO A 90 -2.103 17.385 11.883 1.00 0.00 C ATOM 1348 CG PRO A 90 -3.561 17.450 12.180 1.00 0.00 C ATOM 1349 CD PRO A 90 -4.155 16.187 11.622 1.00 0.00 C ATOM 0 HA PRO A 90 -0.971 15.592 11.267 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.526 17.962 12.605 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -1.881 17.794 10.897 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -3.738 17.523 13.253 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.014 18.329 11.722 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.997 15.840 12.221 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.524 16.331 10.606 1.00 0.00 H new ATOM 1357 N ARG A 91 -0.076 14.879 13.381 1.00 0.00 N ATOM 1358 CA ARG A 91 0.535 14.480 14.643 1.00 0.00 C ATOM 1359 C ARG A 91 0.522 15.634 15.642 1.00 0.00 C ATOM 1360 O ARG A 91 0.819 16.775 15.291 1.00 0.00 O ATOM 1361 CB ARG A 91 1.972 14.008 14.411 1.00 0.00 C ATOM 1362 CG ARG A 91 2.600 13.349 15.628 1.00 0.00 C ATOM 1363 CD ARG A 91 3.678 12.353 15.228 1.00 0.00 C ATOM 1364 NE ARG A 91 3.109 11.106 14.723 1.00 0.00 N ATOM 1365 CZ ARG A 91 3.843 10.072 14.326 1.00 0.00 C ATOM 1366 NH1 ARG A 91 5.166 10.136 14.376 1.00 0.00 N ATOM 1367 NH2 ARG A 91 3.252 8.972 13.878 1.00 0.00 N ATOM 0 H ARG A 91 0.453 14.608 12.552 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.048 13.657 15.057 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.984 13.303 13.580 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.582 14.861 14.115 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.031 14.113 16.275 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.829 12.840 16.206 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.316 12.796 14.463 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.312 12.140 16.088 1.00 0.00 H new ATOM 0 HE ARG A 91 2.094 11.025 14.672 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.623 10.981 14.720 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.727 9.341 14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.234 8.920 13.838 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.816 8.178 13.573 1.00 0.00 H new ATOM 1381 N GLY A 92 0.176 15.327 16.888 1.00 0.00 N ATOM 1382 CA GLY A 92 0.130 16.348 17.918 1.00 0.00 C ATOM 1383 C GLY A 92 -0.584 15.878 19.169 1.00 0.00 C ATOM 1384 O GLY A 92 -1.506 15.065 19.098 1.00 0.00 O ATOM 0 H GLY A 92 -0.073 14.389 17.203 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.146 16.647 18.174 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.373 17.232 17.527 1.00 0.00 H new ATOM 1388 N SER A 93 -0.158 16.388 20.320 1.00 0.00 N ATOM 1389 CA SER A 93 -0.760 16.012 21.594 1.00 0.00 C ATOM 1390 C SER A 93 -1.404 17.219 22.268 1.00 0.00 C ATOM 1391 O SER A 93 -0.908 18.343 22.193 1.00 0.00 O ATOM 1392 CB SER A 93 0.293 15.398 22.518 1.00 0.00 C ATOM 1393 OG SER A 93 1.346 16.312 22.770 1.00 0.00 O ATOM 0 H SER A 93 0.603 17.063 20.397 1.00 0.00 H new ATOM 0 HA SER A 93 -1.536 15.272 21.397 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.171 15.105 23.460 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.695 14.492 22.065 1.00 0.00 H new ATOM 0 HG SER A 93 2.005 15.896 23.364 1.00 0.00 H new ATOM 1399 N PRO A 94 -2.538 16.982 22.945 1.00 0.00 N ATOM 1400 CA PRO A 94 -3.275 18.037 23.647 1.00 0.00 C ATOM 1401 C PRO A 94 -2.531 18.543 24.878 1.00 0.00 C ATOM 1402 O PRO A 94 -2.333 17.806 25.843 1.00 0.00 O ATOM 1403 CB PRO A 94 -4.578 17.346 24.057 1.00 0.00 C ATOM 1404 CG PRO A 94 -4.232 15.899 24.133 1.00 0.00 C ATOM 1405 CD PRO A 94 -3.187 15.667 23.077 1.00 0.00 C ATOM 0 HA PRO A 94 -3.421 18.917 23.021 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.938 17.718 25.016 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.368 17.526 23.328 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -3.852 15.640 25.121 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.110 15.278 23.956 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.477 14.897 23.377 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.631 15.342 22.136 1.00 0.00 H new ATOM 1413 N ASN A 95 -2.121 19.807 24.837 1.00 0.00 N ATOM 1414 CA ASN A 95 -1.398 20.412 25.950 1.00 0.00 C ATOM 1415 C ASN A 95 -2.347 20.746 27.098 1.00 0.00 C ATOM 1416 O ASN A 95 -3.239 21.582 26.956 1.00 0.00 O ATOM 1417 CB ASN A 95 -0.675 21.678 25.487 1.00 0.00 C ATOM 1418 CG ASN A 95 0.184 21.438 24.260 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -0.321 21.079 23.196 1.00 0.00 O ATOM 1420 ND2 ASN A 95 1.489 21.635 24.404 1.00 0.00 N ATOM 0 H ASN A 95 -2.277 20.432 24.046 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.663 19.691 26.308 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.410 22.453 25.267 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.050 22.053 26.297 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.117 21.489 23.614 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.863 21.933 25.305 1.00 0.00 H new ATOM 1427 N SER A 96 -2.146 20.086 28.234 1.00 0.00 N ATOM 1428 CA SER A 96 -2.985 20.310 29.406 1.00 0.00 C ATOM 1429 C SER A 96 -2.338 19.725 30.657 1.00 0.00 C ATOM 1430 O SER A 96 -1.349 18.997 30.576 1.00 0.00 O ATOM 1431 CB SER A 96 -4.368 19.690 29.196 1.00 0.00 C ATOM 1432 OG SER A 96 -4.271 18.295 28.965 1.00 0.00 O ATOM 0 H SER A 96 -1.410 19.392 28.368 1.00 0.00 H new ATOM 0 HA SER A 96 -3.094 21.386 29.543 1.00 0.00 H new ATOM 0 HB2 SER A 96 -4.990 19.874 30.072 1.00 0.00 H new ATOM 0 HB3 SER A 96 -4.860 20.169 28.349 1.00 0.00 H new ATOM 0 HG SER A 96 -5.168 17.922 28.836 1.00 0.00 H new ATOM 1438 N GLY A 97 -2.904 20.050 31.816 1.00 0.00 N ATOM 1439 CA GLY A 97 -2.369 19.549 33.069 1.00 0.00 C ATOM 1440 C GLY A 97 -3.279 18.526 33.719 1.00 0.00 C ATOM 1441 O GLY A 97 -4.504 18.603 33.625 1.00 0.00 O ATOM 0 H GLY A 97 -3.723 20.651 31.909 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.392 19.100 32.890 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.216 20.383 33.755 1.00 0.00 H new ATOM 1445 N PRO A 98 -2.676 17.537 34.397 1.00 0.00 N ATOM 1446 CA PRO A 98 -3.421 16.475 35.078 1.00 0.00 C ATOM 1447 C PRO A 98 -4.173 16.987 36.301 1.00 0.00 C ATOM 1448 O PRO A 98 -3.643 17.777 37.082 1.00 0.00 O ATOM 1449 CB PRO A 98 -2.329 15.487 35.496 1.00 0.00 C ATOM 1450 CG PRO A 98 -1.092 16.312 35.599 1.00 0.00 C ATOM 1451 CD PRO A 98 -1.220 17.382 34.551 1.00 0.00 C ATOM 0 HA PRO A 98 -4.186 16.039 34.436 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.568 15.011 36.447 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -2.214 14.690 34.761 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -0.996 16.749 36.593 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.203 15.705 35.430 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.748 18.312 34.867 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.746 17.086 33.615 1.00 0.00 H new ATOM 1459 N SER A 99 -5.412 16.531 36.463 1.00 0.00 N ATOM 1460 CA SER A 99 -6.238 16.946 37.590 1.00 0.00 C ATOM 1461 C SER A 99 -6.998 15.758 38.173 1.00 0.00 C ATOM 1462 O SER A 99 -7.309 14.799 37.466 1.00 0.00 O ATOM 1463 CB SER A 99 -7.223 18.032 37.155 1.00 0.00 C ATOM 1464 OG SER A 99 -8.203 17.510 36.275 1.00 0.00 O ATOM 0 H SER A 99 -5.865 15.874 35.828 1.00 0.00 H new ATOM 0 HA SER A 99 -5.581 17.349 38.361 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.708 18.459 38.032 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.683 18.841 36.664 1.00 0.00 H new ATOM 0 HG SER A 99 -8.821 18.224 36.013 1.00 0.00 H new ATOM 1470 N SER A 100 -7.294 15.830 39.467 1.00 0.00 N ATOM 1471 CA SER A 100 -8.014 14.759 40.146 1.00 0.00 C ATOM 1472 C SER A 100 -8.661 15.270 41.430 1.00 0.00 C ATOM 1473 O SER A 100 -8.453 16.415 41.831 1.00 0.00 O ATOM 1474 CB SER A 100 -7.067 13.601 40.465 1.00 0.00 C ATOM 1475 OG SER A 100 -6.036 14.013 41.346 1.00 0.00 O ATOM 0 H SER A 100 -7.047 16.618 40.066 1.00 0.00 H new ATOM 0 HA SER A 100 -8.800 14.403 39.480 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.628 12.782 40.915 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.630 13.220 39.542 1.00 0.00 H new ATOM 0 HG SER A 100 -5.445 13.254 41.536 1.00 0.00 H new ATOM 1481 N GLY A 101 -9.448 14.412 42.071 1.00 0.00 N ATOM 1482 CA GLY A 101 -10.115 14.793 43.303 1.00 0.00 C ATOM 1483 C GLY A 101 -11.504 15.349 43.062 1.00 0.00 C ATOM 1484 O GLY A 101 -11.722 16.557 43.155 1.00 0.00 O ATOM 0 H GLY A 101 -9.636 13.459 41.759 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.183 13.925 43.959 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.513 15.539 43.823 1.00 0.00 H new TER 1488 GLY A 101