USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 745 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 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.111 K(o=0.11,f=-12!) USER MOD Single : A 13 SER OG : rot -67:sc= 1.95 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -177:sc= 0 (180deg=-0.0152) USER MOD Single : A 43 TYR OH : rot 148:sc= 0.176 USER MOD Single : A 48 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.18) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.263 X(o=-0.26,f=0.0028) USER MOD Single : A 65 THR OG1 : rot -26:sc= 1.23 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.691 K(o=0.69,f=-0.068) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 131:sc= 1.26 USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= 2.39 (180deg=2.19) USER MOD Single : A 91 TYR OH : rot -168:sc= 1.24 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 64:sc= 1.26 USER MOD Single : A 103 HIS : no HE2:sc= -0.0663 X(o=-0.066,f=-0.22) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 1.05 K(o=1.1,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -1.933 -2.413 11.359 1.00 0.00 N ATOM 15 CA ASP A 2 -0.685 -3.115 10.979 1.00 0.00 C ATOM 16 C ASP A 2 0.141 -2.383 9.888 1.00 0.00 C ATOM 17 O ASP A 2 1.102 -2.944 9.355 1.00 0.00 O ATOM 18 CB ASP A 2 -1.044 -4.557 10.566 1.00 0.00 C ATOM 19 CG ASP A 2 0.172 -5.507 10.595 1.00 0.00 C ATOM 20 OD1 ASP A 2 0.821 -5.616 11.664 1.00 0.00 O ATOM 21 OD2 ASP A 2 0.450 -6.184 9.573 1.00 0.00 O ATOM 0 HA ASP A 2 -0.025 -3.128 11.847 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.815 -4.940 11.234 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.468 -4.548 9.562 1.00 0.00 H new ATOM 26 N VAL A 3 -0.222 -1.139 9.537 1.00 0.00 N ATOM 27 CA VAL A 3 0.412 -0.360 8.450 1.00 0.00 C ATOM 28 C VAL A 3 1.808 0.141 8.861 1.00 0.00 C ATOM 29 O VAL A 3 1.963 0.766 9.917 1.00 0.00 O ATOM 30 CB VAL A 3 -0.459 0.851 8.043 1.00 0.00 C ATOM 31 CG1 VAL A 3 0.149 1.591 6.850 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.871 0.448 7.620 1.00 0.00 C ATOM 0 H VAL A 3 -0.975 -0.634 10.005 1.00 0.00 H new ATOM 0 HA VAL A 3 0.510 -1.032 7.598 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.500 1.482 8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.485 2.438 6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.144 1.950 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.222 0.913 6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.437 1.338 7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.816 -0.225 6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.369 -0.057 8.448 1.00 0.00 H new ATOM 42 N LEU A 4 2.809 -0.083 8.008 1.00 0.00 N ATOM 43 CA LEU A 4 4.152 0.496 8.118 1.00 0.00 C ATOM 44 C LEU A 4 4.167 1.952 7.611 1.00 0.00 C ATOM 45 O LEU A 4 3.533 2.278 6.611 1.00 0.00 O ATOM 46 CB LEU A 4 5.124 -0.358 7.284 1.00 0.00 C ATOM 47 CG LEU A 4 5.225 -1.846 7.679 1.00 0.00 C ATOM 48 CD1 LEU A 4 6.105 -2.588 6.668 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.832 -2.025 9.073 1.00 0.00 C ATOM 0 H LEU A 4 2.706 -0.691 7.196 1.00 0.00 H new ATOM 0 HA LEU A 4 4.456 0.502 9.165 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.822 -0.300 6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.118 0.085 7.354 1.00 0.00 H new ATOM 0 HG LEU A 4 4.213 -2.252 7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.175 -3.639 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.665 -2.507 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.102 -2.147 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.886 -3.087 9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.835 -1.598 9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.209 -1.518 9.809 1.00 0.00 H new ATOM 61 N GLU A 5 4.950 2.825 8.239 1.00 0.00 N ATOM 62 CA GLU A 5 5.008 4.262 7.914 1.00 0.00 C ATOM 63 C GLU A 5 6.373 4.609 7.308 1.00 0.00 C ATOM 64 O GLU A 5 7.266 5.149 7.971 1.00 0.00 O ATOM 65 CB GLU A 5 4.645 5.114 9.140 1.00 0.00 C ATOM 66 CG GLU A 5 3.214 4.848 9.625 1.00 0.00 C ATOM 67 CD GLU A 5 2.796 5.840 10.719 1.00 0.00 C ATOM 68 OE1 GLU A 5 3.348 5.790 11.846 1.00 0.00 O ATOM 69 OE2 GLU A 5 1.890 6.674 10.472 1.00 0.00 O ATOM 0 H GLU A 5 5.574 2.558 9.000 1.00 0.00 H new ATOM 0 HA GLU A 5 4.261 4.498 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.346 4.903 9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.753 6.170 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.524 4.921 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.142 3.830 10.009 1.00 0.00 H new ATOM 76 N LEU A 6 6.563 4.187 6.057 1.00 0.00 N ATOM 77 CA LEU A 6 7.858 4.213 5.374 1.00 0.00 C ATOM 78 C LEU A 6 8.273 5.612 4.875 1.00 0.00 C ATOM 79 O LEU A 6 7.443 6.464 4.544 1.00 0.00 O ATOM 80 CB LEU A 6 7.867 3.191 4.224 1.00 0.00 C ATOM 81 CG LEU A 6 7.542 1.742 4.638 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.612 0.837 3.406 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.488 1.192 5.709 1.00 0.00 C ATOM 0 H LEU A 6 5.810 3.812 5.481 1.00 0.00 H new ATOM 0 HA LEU A 6 8.607 3.937 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.146 3.508 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.849 3.206 3.752 1.00 0.00 H new ATOM 0 HG LEU A 6 6.540 1.754 5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.383 -0.189 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.889 1.176 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.615 0.879 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.204 0.169 5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.511 1.204 5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.424 1.811 6.604 1.00 0.00 H new ATOM 95 N THR A 7 9.590 5.811 4.795 1.00 0.00 N ATOM 96 CA THR A 7 10.271 7.047 4.359 1.00 0.00 C ATOM 97 C THR A 7 11.582 6.716 3.630 1.00 0.00 C ATOM 98 O THR A 7 12.026 5.566 3.648 1.00 0.00 O ATOM 99 CB THR A 7 10.608 7.956 5.563 1.00 0.00 C ATOM 100 OG1 THR A 7 11.574 7.340 6.394 1.00 0.00 O ATOM 101 CG2 THR A 7 9.420 8.324 6.447 1.00 0.00 C ATOM 0 H THR A 7 10.253 5.078 5.045 1.00 0.00 H new ATOM 0 HA THR A 7 9.588 7.567 3.688 1.00 0.00 H new ATOM 0 HB THR A 7 10.977 8.875 5.108 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.778 7.929 7.151 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.758 8.963 7.263 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.676 8.856 5.854 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.976 7.417 6.857 1.00 0.00 H new ATOM 109 N ASP A 8 12.263 7.707 3.048 1.00 0.00 N ATOM 110 CA ASP A 8 13.598 7.534 2.449 1.00 0.00 C ATOM 111 C ASP A 8 14.661 6.963 3.425 1.00 0.00 C ATOM 112 O ASP A 8 15.642 6.357 3.000 1.00 0.00 O ATOM 113 CB ASP A 8 14.053 8.882 1.881 1.00 0.00 C ATOM 114 CG ASP A 8 15.362 8.765 1.085 1.00 0.00 C ATOM 115 OD1 ASP A 8 15.351 8.160 -0.016 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.398 9.316 1.528 1.00 0.00 O ATOM 0 H ASP A 8 11.905 8.659 2.976 1.00 0.00 H new ATOM 0 HA ASP A 8 13.508 6.787 1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.272 9.284 1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.189 9.591 2.698 1.00 0.00 H new ATOM 121 N ASP A 9 14.449 7.113 4.736 1.00 0.00 N ATOM 122 CA ASP A 9 15.337 6.609 5.793 1.00 0.00 C ATOM 123 C ASP A 9 15.237 5.086 6.020 1.00 0.00 C ATOM 124 O ASP A 9 16.196 4.479 6.509 1.00 0.00 O ATOM 125 CB ASP A 9 15.007 7.345 7.097 1.00 0.00 C ATOM 126 CG ASP A 9 16.044 7.078 8.202 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.214 7.515 8.058 1.00 0.00 O ATOM 128 OD2 ASP A 9 15.684 6.477 9.243 1.00 0.00 O ATOM 0 H ASP A 9 13.633 7.602 5.104 1.00 0.00 H new ATOM 0 HA ASP A 9 16.361 6.799 5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.955 8.416 6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.021 7.036 7.446 1.00 0.00 H new ATOM 133 N ASN A 10 14.098 4.465 5.664 1.00 0.00 N ATOM 134 CA ASN A 10 13.788 3.070 6.017 1.00 0.00 C ATOM 135 C ASN A 10 13.180 2.194 4.899 1.00 0.00 C ATOM 136 O ASN A 10 13.327 0.972 4.961 1.00 0.00 O ATOM 137 CB ASN A 10 12.939 3.070 7.307 1.00 0.00 C ATOM 138 CG ASN A 10 11.563 3.707 7.159 1.00 0.00 C ATOM 139 OD1 ASN A 10 10.962 3.687 6.101 1.00 0.00 O ATOM 140 ND2 ASN A 10 11.017 4.308 8.194 1.00 0.00 N ATOM 0 H ASN A 10 13.364 4.920 5.121 1.00 0.00 H new ATOM 0 HA ASN A 10 14.744 2.573 6.184 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.814 2.041 7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.487 3.597 8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.102 4.749 8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.509 4.333 9.087 1.00 0.00 H new ATOM 147 N PHE A 11 12.591 2.764 3.840 1.00 0.00 N ATOM 148 CA PHE A 11 12.062 2.008 2.692 1.00 0.00 C ATOM 149 C PHE A 11 13.152 1.135 2.044 1.00 0.00 C ATOM 150 O PHE A 11 12.909 -0.018 1.697 1.00 0.00 O ATOM 151 CB PHE A 11 11.450 2.993 1.684 1.00 0.00 C ATOM 152 CG PHE A 11 10.663 2.362 0.543 1.00 0.00 C ATOM 153 CD1 PHE A 11 11.324 1.734 -0.531 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.254 2.417 0.549 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.583 1.140 -1.568 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.514 1.837 -0.496 1.00 0.00 C ATOM 157 CZ PHE A 11 9.178 1.199 -1.561 1.00 0.00 C ATOM 0 H PHE A 11 12.466 3.773 3.753 1.00 0.00 H new ATOM 0 HA PHE A 11 11.285 1.326 3.038 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.791 3.674 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.253 3.595 1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.403 1.709 -0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.740 2.908 1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 11 11.096 0.636 -2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.435 1.881 -0.482 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.612 0.758 -2.368 1.00 0.00 H new ATOM 167 N GLU A 12 14.384 1.648 2.011 1.00 0.00 N ATOM 168 CA GLU A 12 15.622 1.022 1.523 1.00 0.00 C ATOM 169 C GLU A 12 16.073 -0.238 2.296 1.00 0.00 C ATOM 170 O GLU A 12 17.091 -0.843 1.953 1.00 0.00 O ATOM 171 CB GLU A 12 16.741 2.077 1.560 1.00 0.00 C ATOM 172 CG GLU A 12 16.521 3.277 0.632 1.00 0.00 C ATOM 173 CD GLU A 12 16.544 2.873 -0.855 1.00 0.00 C ATOM 174 OE1 GLU A 12 17.655 2.652 -1.402 1.00 0.00 O ATOM 175 OE2 GLU A 12 15.459 2.780 -1.480 1.00 0.00 O ATOM 0 H GLU A 12 14.559 2.593 2.354 1.00 0.00 H new ATOM 0 HA GLU A 12 15.413 0.672 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.846 2.440 2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.683 1.597 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.564 3.744 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.294 4.023 0.816 1.00 0.00 H new ATOM 182 N SER A 13 15.320 -0.640 3.325 1.00 0.00 N ATOM 183 CA SER A 13 15.514 -1.884 4.098 1.00 0.00 C ATOM 184 C SER A 13 14.372 -2.901 3.952 1.00 0.00 C ATOM 185 O SER A 13 14.556 -4.080 4.251 1.00 0.00 O ATOM 186 CB SER A 13 15.709 -1.538 5.578 1.00 0.00 C ATOM 187 OG SER A 13 14.487 -1.101 6.157 1.00 0.00 O ATOM 0 H SER A 13 14.528 -0.092 3.660 1.00 0.00 H new ATOM 0 HA SER A 13 16.401 -2.365 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.080 -2.411 6.115 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.464 -0.758 5.678 1.00 0.00 H new ATOM 0 HG SER A 13 14.230 -0.239 5.767 1.00 0.00 H new ATOM 193 N ARG A 14 13.182 -2.467 3.493 1.00 0.00 N ATOM 194 CA ARG A 14 11.986 -3.333 3.365 1.00 0.00 C ATOM 195 C ARG A 14 12.001 -4.221 2.122 1.00 0.00 C ATOM 196 O ARG A 14 11.399 -5.290 2.122 1.00 0.00 O ATOM 197 CB ARG A 14 10.726 -2.460 3.289 1.00 0.00 C ATOM 198 CG ARG A 14 10.477 -1.535 4.490 1.00 0.00 C ATOM 199 CD ARG A 14 10.406 -2.249 5.848 1.00 0.00 C ATOM 200 NE ARG A 14 11.734 -2.370 6.480 1.00 0.00 N ATOM 201 CZ ARG A 14 12.059 -3.104 7.521 1.00 0.00 C ATOM 202 NH1 ARG A 14 11.214 -3.892 8.119 1.00 0.00 N ATOM 203 NH2 ARG A 14 13.267 -3.039 7.997 1.00 0.00 N ATOM 0 H ARG A 14 13.019 -1.504 3.199 1.00 0.00 H new ATOM 0 HA ARG A 14 11.991 -3.979 4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.786 -1.847 2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.861 -3.113 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.272 -0.790 4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.543 -0.997 4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.738 -1.700 6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.977 -3.242 5.713 1.00 0.00 H new ATOM 0 HE ARG A 14 12.485 -1.822 6.061 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.253 -3.959 7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.512 -4.443 8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.954 -2.422 7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.528 -3.605 8.804 1.00 0.00 H new ATOM 217 N ILE A 15 12.724 -3.788 1.088 1.00 0.00 N ATOM 218 CA ILE A 15 12.852 -4.430 -0.240 1.00 0.00 C ATOM 219 C ILE A 15 13.398 -5.870 -0.200 1.00 0.00 C ATOM 220 O ILE A 15 13.305 -6.608 -1.180 1.00 0.00 O ATOM 221 CB ILE A 15 13.671 -3.551 -1.210 1.00 0.00 C ATOM 222 CG1 ILE A 15 15.201 -3.708 -1.103 1.00 0.00 C ATOM 223 CG2 ILE A 15 13.268 -2.075 -1.081 1.00 0.00 C ATOM 224 CD1 ILE A 15 15.810 -3.372 0.263 1.00 0.00 C ATOM 0 H ILE A 15 13.272 -2.930 1.149 1.00 0.00 H new ATOM 0 HA ILE A 15 11.833 -4.517 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 15 13.417 -3.920 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 15 15.460 -4.737 -1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 15 15.667 -3.070 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.858 -1.475 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.209 -1.965 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 15 13.450 -1.736 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 15 16.890 -3.517 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.592 -2.334 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 15 15.382 -4.026 1.023 1.00 0.00 H new ATOM 236 N SER A 16 13.965 -6.253 0.941 1.00 0.00 N ATOM 237 CA SER A 16 14.583 -7.561 1.222 1.00 0.00 C ATOM 238 C SER A 16 14.018 -8.276 2.462 1.00 0.00 C ATOM 239 O SER A 16 14.483 -9.365 2.820 1.00 0.00 O ATOM 240 CB SER A 16 16.096 -7.370 1.346 1.00 0.00 C ATOM 241 OG SER A 16 16.425 -6.458 2.385 1.00 0.00 O ATOM 0 H SER A 16 14.012 -5.628 1.746 1.00 0.00 H new ATOM 0 HA SER A 16 14.340 -8.218 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 16 16.570 -8.332 1.542 1.00 0.00 H new ATOM 0 HB3 SER A 16 16.496 -7.004 0.400 1.00 0.00 H new ATOM 0 HG SER A 16 17.399 -6.360 2.438 1.00 0.00 H new ATOM 247 N ASP A 17 13.003 -7.695 3.109 1.00 0.00 N ATOM 248 CA ASP A 17 12.345 -8.247 4.301 1.00 0.00 C ATOM 249 C ASP A 17 11.183 -9.219 3.990 1.00 0.00 C ATOM 250 O ASP A 17 10.644 -9.876 4.884 1.00 0.00 O ATOM 251 CB ASP A 17 11.872 -7.068 5.171 1.00 0.00 C ATOM 252 CG ASP A 17 11.426 -7.508 6.578 1.00 0.00 C ATOM 253 OD1 ASP A 17 12.262 -8.060 7.338 1.00 0.00 O ATOM 254 OD2 ASP A 17 10.254 -7.262 6.955 1.00 0.00 O ATOM 0 H ASP A 17 12.605 -6.804 2.812 1.00 0.00 H new ATOM 0 HA ASP A 17 13.073 -8.858 4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.680 -6.342 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.044 -6.564 4.673 1.00 0.00 H new ATOM 259 N THR A 18 10.807 -9.340 2.714 1.00 0.00 N ATOM 260 CA THR A 18 9.776 -10.256 2.204 1.00 0.00 C ATOM 261 C THR A 18 10.177 -11.730 2.314 1.00 0.00 C ATOM 262 O THR A 18 11.357 -12.098 2.297 1.00 0.00 O ATOM 263 CB THR A 18 9.423 -9.936 0.733 1.00 0.00 C ATOM 264 OG1 THR A 18 10.579 -9.806 -0.069 1.00 0.00 O ATOM 265 CG2 THR A 18 8.629 -8.635 0.620 1.00 0.00 C ATOM 0 H THR A 18 11.229 -8.779 1.974 1.00 0.00 H new ATOM 0 HA THR A 18 8.903 -10.098 2.837 1.00 0.00 H new ATOM 0 HB THR A 18 8.823 -10.775 0.380 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.799 -10.673 -0.469 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.397 -8.440 -0.427 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.702 -8.724 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.221 -7.812 1.020 1.00 0.00 H new ATOM 273 N GLY A 19 9.158 -12.589 2.382 1.00 0.00 N ATOM 274 CA GLY A 19 9.285 -14.050 2.289 1.00 0.00 C ATOM 275 C GLY A 19 8.084 -14.810 2.868 1.00 0.00 C ATOM 276 O GLY A 19 7.555 -15.723 2.231 1.00 0.00 O ATOM 0 H GLY A 19 8.193 -12.282 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.411 -14.329 1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.188 -14.362 2.813 1.00 0.00 H new ATOM 280 N SER A 20 7.597 -14.391 4.042 1.00 0.00 N ATOM 281 CA SER A 20 6.467 -15.021 4.758 1.00 0.00 C ATOM 282 C SER A 20 5.099 -14.793 4.106 1.00 0.00 C ATOM 283 O SER A 20 4.175 -15.580 4.331 1.00 0.00 O ATOM 284 CB SER A 20 6.401 -14.497 6.201 1.00 0.00 C ATOM 285 OG SER A 20 7.623 -14.730 6.888 1.00 0.00 O ATOM 0 H SER A 20 7.982 -13.587 4.537 1.00 0.00 H new ATOM 0 HA SER A 20 6.667 -16.092 4.724 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.183 -13.429 6.193 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.584 -14.986 6.731 1.00 0.00 H new ATOM 0 HG SER A 20 7.555 -14.386 7.803 1.00 0.00 H new ATOM 291 N ALA A 21 4.963 -13.736 3.292 1.00 0.00 N ATOM 292 CA ALA A 21 3.707 -13.322 2.640 1.00 0.00 C ATOM 293 C ALA A 21 3.774 -13.276 1.096 1.00 0.00 C ATOM 294 O ALA A 21 2.771 -13.006 0.435 1.00 0.00 O ATOM 295 CB ALA A 21 3.341 -11.944 3.212 1.00 0.00 C ATOM 0 H ALA A 21 5.747 -13.125 3.061 1.00 0.00 H new ATOM 0 HA ALA A 21 2.945 -14.071 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.414 -11.596 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.209 -12.022 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.141 -11.236 2.995 1.00 0.00 H new ATOM 301 N GLY A 22 4.955 -13.506 0.507 1.00 0.00 N ATOM 302 CA GLY A 22 5.190 -13.550 -0.948 1.00 0.00 C ATOM 303 C GLY A 22 5.275 -12.184 -1.645 1.00 0.00 C ATOM 304 O GLY A 22 5.867 -12.086 -2.719 1.00 0.00 O ATOM 0 H GLY A 22 5.804 -13.673 1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.118 -14.091 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.388 -14.125 -1.411 1.00 0.00 H new ATOM 308 N LEU A 23 4.737 -11.113 -1.045 1.00 0.00 N ATOM 309 CA LEU A 23 4.748 -9.744 -1.588 1.00 0.00 C ATOM 310 C LEU A 23 4.645 -8.667 -0.494 1.00 0.00 C ATOM 311 O LEU A 23 4.394 -8.969 0.674 1.00 0.00 O ATOM 312 CB LEU A 23 3.617 -9.609 -2.639 1.00 0.00 C ATOM 313 CG LEU A 23 2.157 -9.627 -2.137 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.647 -8.262 -1.665 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.240 -10.067 -3.279 1.00 0.00 C ATOM 0 H LEU A 23 4.268 -11.175 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 23 5.711 -9.573 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.773 -8.676 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.732 -10.418 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 23 2.143 -10.311 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.615 -8.356 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.267 -7.907 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.696 -7.550 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.207 -10.082 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.333 -9.368 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.525 -11.065 -3.611 1.00 0.00 H new ATOM 327 N MET A 24 4.781 -7.409 -0.910 1.00 0.00 N ATOM 328 CA MET A 24 4.504 -6.209 -0.114 1.00 0.00 C ATOM 329 C MET A 24 3.589 -5.272 -0.921 1.00 0.00 C ATOM 330 O MET A 24 3.680 -5.204 -2.148 1.00 0.00 O ATOM 331 CB MET A 24 5.840 -5.553 0.294 1.00 0.00 C ATOM 332 CG MET A 24 5.703 -4.190 0.998 1.00 0.00 C ATOM 333 SD MET A 24 5.563 -2.734 -0.089 1.00 0.00 S ATOM 334 CE MET A 24 7.258 -2.591 -0.725 1.00 0.00 C ATOM 0 H MET A 24 5.101 -7.186 -1.852 1.00 0.00 H new ATOM 0 HA MET A 24 3.977 -6.457 0.807 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.376 -6.235 0.954 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.453 -5.425 -0.598 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.824 -4.223 1.641 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.568 -4.051 1.647 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.334 -1.710 -1.362 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.953 -2.497 0.109 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.505 -3.480 -1.304 1.00 0.00 H new ATOM 344 N LEU A 25 2.700 -4.560 -0.227 1.00 0.00 N ATOM 345 CA LEU A 25 1.771 -3.578 -0.785 1.00 0.00 C ATOM 346 C LEU A 25 2.020 -2.218 -0.115 1.00 0.00 C ATOM 347 O LEU A 25 2.097 -2.128 1.112 1.00 0.00 O ATOM 348 CB LEU A 25 0.331 -4.097 -0.558 1.00 0.00 C ATOM 349 CG LEU A 25 -0.788 -3.088 -0.880 1.00 0.00 C ATOM 350 CD1 LEU A 25 -0.812 -2.637 -2.339 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.142 -3.723 -0.584 1.00 0.00 C ATOM 0 H LEU A 25 2.604 -4.657 0.784 1.00 0.00 H new ATOM 0 HA LEU A 25 1.919 -3.443 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.182 -4.987 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.233 -4.405 0.483 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.588 -2.215 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.627 -1.928 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.135 -2.159 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.962 -3.502 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.935 -3.011 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.268 -4.615 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.192 -3.998 0.469 1.00 0.00 H new ATOM 363 N VAL A 26 2.096 -1.151 -0.914 1.00 0.00 N ATOM 364 CA VAL A 26 2.315 0.226 -0.440 1.00 0.00 C ATOM 365 C VAL A 26 1.355 1.207 -1.103 1.00 0.00 C ATOM 366 O VAL A 26 0.945 1.018 -2.247 1.00 0.00 O ATOM 367 CB VAL A 26 3.787 0.654 -0.627 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.234 0.625 -2.087 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.099 2.037 -0.037 1.00 0.00 C ATOM 0 H VAL A 26 2.006 -1.217 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 26 2.102 0.243 0.629 1.00 0.00 H new ATOM 0 HB VAL A 26 4.352 -0.093 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.277 0.936 -2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.131 -0.387 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.614 1.306 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.150 2.275 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.476 2.788 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.894 2.031 1.033 1.00 0.00 H new ATOM 379 N GLU A 27 1.007 2.272 -0.381 1.00 0.00 N ATOM 380 CA GLU A 27 0.133 3.366 -0.794 1.00 0.00 C ATOM 381 C GLU A 27 0.879 4.706 -0.742 1.00 0.00 C ATOM 382 O GLU A 27 1.347 5.123 0.318 1.00 0.00 O ATOM 383 CB GLU A 27 -1.096 3.395 0.135 1.00 0.00 C ATOM 384 CG GLU A 27 -2.078 4.511 -0.226 1.00 0.00 C ATOM 385 CD GLU A 27 -3.310 4.467 0.700 1.00 0.00 C ATOM 386 OE1 GLU A 27 -4.243 3.674 0.431 1.00 0.00 O ATOM 387 OE2 GLU A 27 -3.346 5.253 1.682 1.00 0.00 O ATOM 0 H GLU A 27 1.352 2.400 0.570 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.188 3.206 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.608 2.434 0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.765 3.526 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.585 5.479 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.392 4.405 -1.264 1.00 0.00 H new ATOM 394 N PHE A 28 0.927 5.414 -1.871 1.00 0.00 N ATOM 395 CA PHE A 28 1.406 6.792 -1.961 1.00 0.00 C ATOM 396 C PHE A 28 0.237 7.769 -2.150 1.00 0.00 C ATOM 397 O PHE A 28 -0.648 7.539 -2.979 1.00 0.00 O ATOM 398 CB PHE A 28 2.387 6.931 -3.125 1.00 0.00 C ATOM 399 CG PHE A 28 3.656 6.113 -3.009 1.00 0.00 C ATOM 400 CD1 PHE A 28 3.679 4.773 -3.446 1.00 0.00 C ATOM 401 CD2 PHE A 28 4.841 6.715 -2.537 1.00 0.00 C ATOM 402 CE1 PHE A 28 4.873 4.036 -3.402 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.036 5.978 -2.497 1.00 0.00 C ATOM 404 CZ PHE A 28 6.053 4.638 -2.926 1.00 0.00 C ATOM 0 H PHE A 28 0.627 5.035 -2.769 1.00 0.00 H new ATOM 0 HA PHE A 28 1.913 7.036 -1.028 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.875 6.647 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.660 7.982 -3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.775 4.312 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.829 7.743 -2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.886 3.008 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.943 6.440 -2.137 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.972 4.071 -2.890 1.00 0.00 H new ATOM 414 N PHE A 29 0.253 8.876 -1.400 1.00 0.00 N ATOM 415 CA PHE A 29 -0.779 9.926 -1.408 1.00 0.00 C ATOM 416 C PHE A 29 -0.190 11.273 -0.916 1.00 0.00 C ATOM 417 O PHE A 29 1.030 11.457 -0.950 1.00 0.00 O ATOM 418 CB PHE A 29 -1.980 9.423 -0.572 1.00 0.00 C ATOM 419 CG PHE A 29 -3.384 9.906 -0.929 1.00 0.00 C ATOM 420 CD1 PHE A 29 -3.646 10.948 -1.849 1.00 0.00 C ATOM 421 CD2 PHE A 29 -4.469 9.265 -0.305 1.00 0.00 C ATOM 422 CE1 PHE A 29 -4.969 11.348 -2.105 1.00 0.00 C ATOM 423 CE2 PHE A 29 -5.790 9.669 -0.561 1.00 0.00 C ATOM 424 CZ PHE A 29 -6.040 10.720 -1.453 1.00 0.00 C ATOM 0 H PHE A 29 1.010 9.075 -0.747 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.136 10.124 -2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.984 8.334 -0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.793 9.693 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.828 11.437 -2.356 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.284 8.451 0.380 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.162 12.144 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.612 9.170 -0.070 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.053 11.045 -1.638 1.00 0.00 H new ATOM 434 N ALA A 30 -1.019 12.224 -0.478 1.00 0.00 N ATOM 435 CA ALA A 30 -0.606 13.452 0.219 1.00 0.00 C ATOM 436 C ALA A 30 -1.762 13.970 1.115 1.00 0.00 C ATOM 437 O ALA A 30 -2.930 13.820 0.737 1.00 0.00 O ATOM 438 CB ALA A 30 -0.199 14.515 -0.814 1.00 0.00 C ATOM 0 H ALA A 30 -2.030 12.162 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 30 0.250 13.237 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.107 15.425 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.631 14.141 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.046 14.734 -1.464 1.00 0.00 H new ATOM 444 N PRO A 31 -1.486 14.619 2.269 1.00 0.00 N ATOM 445 CA PRO A 31 -2.527 15.225 3.111 1.00 0.00 C ATOM 446 C PRO A 31 -3.351 16.301 2.385 1.00 0.00 C ATOM 447 O PRO A 31 -4.553 16.442 2.625 1.00 0.00 O ATOM 448 CB PRO A 31 -1.790 15.831 4.316 1.00 0.00 C ATOM 449 CG PRO A 31 -0.453 15.093 4.343 1.00 0.00 C ATOM 450 CD PRO A 31 -0.179 14.836 2.864 1.00 0.00 C ATOM 0 HA PRO A 31 -3.253 14.466 3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.650 16.906 4.199 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.347 15.681 5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.332 15.695 4.801 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.515 14.164 4.910 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.328 15.684 2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.465 13.967 2.728 1.00 0.00 H new ATOM 550 N ARG A 38 -9.936 10.999 4.041 1.00 0.00 N ATOM 551 CA ARG A 38 -10.742 10.255 3.049 1.00 0.00 C ATOM 552 C ARG A 38 -10.437 8.755 3.002 1.00 0.00 C ATOM 553 O ARG A 38 -11.329 7.959 2.703 1.00 0.00 O ATOM 554 CB ARG A 38 -10.550 10.843 1.640 1.00 0.00 C ATOM 555 CG ARG A 38 -11.061 12.283 1.506 1.00 0.00 C ATOM 556 CD ARG A 38 -11.026 12.731 0.036 1.00 0.00 C ATOM 557 NE ARG A 38 -11.424 14.144 -0.109 1.00 0.00 N ATOM 558 CZ ARG A 38 -11.368 14.869 -1.211 1.00 0.00 C ATOM 559 NH1 ARG A 38 -10.931 14.385 -2.341 1.00 0.00 N ATOM 560 NH2 ARG A 38 -11.746 16.116 -1.201 1.00 0.00 N ATOM 0 HA ARG A 38 -11.775 10.367 3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.491 10.816 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.068 10.213 0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.079 12.351 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.447 12.951 2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.022 12.592 -0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.693 12.102 -0.553 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.779 14.608 0.727 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.618 13.416 -2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.902 14.976 -3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.088 16.538 -0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.700 16.670 -2.056 1.00 0.00 H new ATOM 574 N LEU A 39 -9.192 8.384 3.301 1.00 0.00 N ATOM 575 CA LEU A 39 -8.668 7.028 3.088 1.00 0.00 C ATOM 576 C LEU A 39 -7.852 6.474 4.266 1.00 0.00 C ATOM 577 O LEU A 39 -7.695 5.259 4.389 1.00 0.00 O ATOM 578 CB LEU A 39 -7.839 7.119 1.800 1.00 0.00 C ATOM 579 CG LEU A 39 -7.393 5.774 1.210 1.00 0.00 C ATOM 580 CD1 LEU A 39 -8.583 4.933 0.751 1.00 0.00 C ATOM 581 CD2 LEU A 39 -6.534 6.083 -0.011 1.00 0.00 C ATOM 0 H LEU A 39 -8.507 9.023 3.704 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.488 6.315 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.423 7.651 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.953 7.721 2.000 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.855 5.212 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.225 3.989 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.237 4.734 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.138 5.475 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.195 5.151 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.122 6.645 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.670 6.675 0.292 1.00 0.00 H new ATOM 593 N ALA A 40 -7.410 7.347 5.179 1.00 0.00 N ATOM 594 CA ALA A 40 -6.735 6.962 6.425 1.00 0.00 C ATOM 595 C ALA A 40 -7.470 5.869 7.238 1.00 0.00 C ATOM 596 O ALA A 40 -6.821 4.882 7.592 1.00 0.00 O ATOM 597 CB ALA A 40 -6.461 8.212 7.276 1.00 0.00 C ATOM 0 H ALA A 40 -7.513 8.356 5.072 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.790 6.501 6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.960 7.921 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.824 8.899 6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.404 8.704 7.514 1.00 0.00 H new ATOM 603 N PRO A 41 -8.793 5.958 7.516 1.00 0.00 N ATOM 604 CA PRO A 41 -9.490 4.937 8.308 1.00 0.00 C ATOM 605 C PRO A 41 -9.716 3.616 7.547 1.00 0.00 C ATOM 606 O PRO A 41 -9.880 2.564 8.170 1.00 0.00 O ATOM 607 CB PRO A 41 -10.818 5.583 8.727 1.00 0.00 C ATOM 608 CG PRO A 41 -11.090 6.574 7.601 1.00 0.00 C ATOM 609 CD PRO A 41 -9.701 7.064 7.222 1.00 0.00 C ATOM 0 HA PRO A 41 -8.884 4.645 9.166 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.615 4.845 8.816 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.737 6.082 9.693 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.592 6.098 6.759 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.729 7.393 7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.657 7.336 6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.431 7.953 7.792 1.00 0.00 H new ATOM 617 N GLU A 42 -9.706 3.648 6.208 1.00 0.00 N ATOM 618 CA GLU A 42 -9.864 2.457 5.366 1.00 0.00 C ATOM 619 C GLU A 42 -8.587 1.602 5.339 1.00 0.00 C ATOM 620 O GLU A 42 -8.643 0.387 5.530 1.00 0.00 O ATOM 621 CB GLU A 42 -10.196 2.891 3.931 1.00 0.00 C ATOM 622 CG GLU A 42 -11.561 3.562 3.772 1.00 0.00 C ATOM 623 CD GLU A 42 -12.707 2.556 3.960 1.00 0.00 C ATOM 624 OE1 GLU A 42 -12.857 1.658 3.099 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.461 2.647 4.960 1.00 0.00 O ATOM 0 H GLU A 42 -9.587 4.509 5.675 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.670 1.857 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.424 3.579 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.157 2.016 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.659 4.367 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.632 4.016 2.783 1.00 0.00 H new ATOM 632 N TYR A 43 -7.424 2.209 5.098 1.00 0.00 N ATOM 633 CA TYR A 43 -6.202 1.435 4.853 1.00 0.00 C ATOM 634 C TYR A 43 -5.640 0.767 6.123 1.00 0.00 C ATOM 635 O TYR A 43 -5.126 -0.352 6.071 1.00 0.00 O ATOM 636 CB TYR A 43 -5.158 2.347 4.190 1.00 0.00 C ATOM 637 CG TYR A 43 -4.010 1.593 3.535 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.233 0.869 2.347 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.721 1.641 4.097 1.00 0.00 C ATOM 640 CE1 TYR A 43 -3.162 0.210 1.708 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.656 0.969 3.473 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.870 0.266 2.269 1.00 0.00 C ATOM 643 OH TYR A 43 -0.837 -0.373 1.656 1.00 0.00 O ATOM 0 H TYR A 43 -7.300 3.221 5.067 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.455 0.613 4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.652 2.962 3.438 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.753 3.025 4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.226 0.819 1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.550 2.195 5.008 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.331 -0.336 0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.671 0.991 3.916 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.007 0.126 1.808 1.00 0.00 H new ATOM 653 N GLU A 44 -5.809 1.401 7.288 1.00 0.00 N ATOM 654 CA GLU A 44 -5.502 0.822 8.611 1.00 0.00 C ATOM 655 C GLU A 44 -6.343 -0.434 8.886 1.00 0.00 C ATOM 656 O GLU A 44 -5.849 -1.450 9.390 1.00 0.00 O ATOM 657 CB GLU A 44 -5.816 1.851 9.704 1.00 0.00 C ATOM 658 CG GLU A 44 -5.031 3.159 9.605 1.00 0.00 C ATOM 659 CD GLU A 44 -3.611 3.098 10.188 1.00 0.00 C ATOM 660 OE1 GLU A 44 -3.443 2.644 11.344 1.00 0.00 O ATOM 661 OE2 GLU A 44 -2.663 3.553 9.510 1.00 0.00 O ATOM 0 H GLU A 44 -6.171 2.353 7.344 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.446 0.552 8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.881 2.081 9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.618 1.399 10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.967 3.451 8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.588 3.942 10.120 1.00 0.00 H new ATOM 668 N ALA A 45 -7.626 -0.368 8.521 1.00 0.00 N ATOM 669 CA ALA A 45 -8.559 -1.493 8.609 1.00 0.00 C ATOM 670 C ALA A 45 -8.210 -2.632 7.633 1.00 0.00 C ATOM 671 O ALA A 45 -8.263 -3.799 8.025 1.00 0.00 O ATOM 672 CB ALA A 45 -9.996 -0.987 8.401 1.00 0.00 C ATOM 0 H ALA A 45 -8.052 0.482 8.150 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.474 -1.924 9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.690 -1.825 8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.239 -0.254 9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.080 -0.523 7.418 1.00 0.00 H new ATOM 678 N ALA A 46 -7.777 -2.320 6.405 1.00 0.00 N ATOM 679 CA ALA A 46 -7.313 -3.316 5.437 1.00 0.00 C ATOM 680 C ALA A 46 -6.072 -4.076 5.944 1.00 0.00 C ATOM 681 O ALA A 46 -6.017 -5.301 5.862 1.00 0.00 O ATOM 682 CB ALA A 46 -7.028 -2.625 4.100 1.00 0.00 C ATOM 0 H ALA A 46 -7.739 -1.363 6.055 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.099 -4.059 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.682 -3.362 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.940 -2.155 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.259 -1.865 4.240 1.00 0.00 H new ATOM 688 N ALA A 47 -5.108 -3.360 6.531 1.00 0.00 N ATOM 689 CA ALA A 47 -3.897 -3.946 7.101 1.00 0.00 C ATOM 690 C ALA A 47 -4.202 -4.814 8.331 1.00 0.00 C ATOM 691 O ALA A 47 -3.627 -5.885 8.493 1.00 0.00 O ATOM 692 CB ALA A 47 -2.929 -2.814 7.444 1.00 0.00 C ATOM 0 H ALA A 47 -5.150 -2.345 6.623 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.442 -4.612 6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.017 -3.232 7.871 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.684 -2.258 6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.394 -2.144 8.167 1.00 0.00 H new ATOM 698 N THR A 48 -5.155 -4.379 9.166 1.00 0.00 N ATOM 699 CA THR A 48 -5.664 -5.170 10.299 1.00 0.00 C ATOM 700 C THR A 48 -6.339 -6.468 9.820 1.00 0.00 C ATOM 701 O THR A 48 -6.090 -7.536 10.385 1.00 0.00 O ATOM 702 CB THR A 48 -6.625 -4.334 11.156 1.00 0.00 C ATOM 703 OG1 THR A 48 -5.988 -3.137 11.559 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.035 -5.046 12.444 1.00 0.00 C ATOM 0 H THR A 48 -5.598 -3.465 9.076 1.00 0.00 H new ATOM 0 HA THR A 48 -4.812 -5.453 10.918 1.00 0.00 H new ATOM 0 HB THR A 48 -7.504 -4.155 10.536 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.042 -2.478 10.836 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.714 -4.410 13.011 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.535 -5.983 12.198 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.148 -5.254 13.043 1.00 0.00 H new ATOM 712 N ARG A 49 -7.131 -6.410 8.732 1.00 0.00 N ATOM 713 CA ARG A 49 -7.786 -7.583 8.122 1.00 0.00 C ATOM 714 C ARG A 49 -6.798 -8.564 7.479 1.00 0.00 C ATOM 715 O ARG A 49 -6.980 -9.779 7.589 1.00 0.00 O ATOM 716 CB ARG A 49 -8.820 -7.069 7.097 1.00 0.00 C ATOM 717 CG ARG A 49 -9.848 -8.121 6.651 1.00 0.00 C ATOM 718 CD ARG A 49 -10.743 -8.525 7.827 1.00 0.00 C ATOM 719 NE ARG A 49 -11.871 -9.370 7.395 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.050 -8.971 6.949 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.366 -7.711 6.832 1.00 0.00 N ATOM 722 NH2 ARG A 49 -13.957 -9.843 6.611 1.00 0.00 N ATOM 0 H ARG A 49 -7.336 -5.537 8.246 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.277 -8.156 8.908 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.351 -6.220 7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.291 -6.701 6.218 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.459 -7.722 5.841 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.333 -8.998 6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.150 -9.062 8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.127 -7.629 8.316 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.725 -10.378 7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.692 -6.990 7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.287 -7.447 6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.760 -10.841 6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.864 -9.528 6.268 1.00 0.00 H new ATOM 736 N LEU A 50 -5.755 -8.044 6.825 1.00 0.00 N ATOM 737 CA LEU A 50 -4.717 -8.812 6.114 1.00 0.00 C ATOM 738 C LEU A 50 -3.499 -9.153 7.003 1.00 0.00 C ATOM 739 O LEU A 50 -2.521 -9.713 6.507 1.00 0.00 O ATOM 740 CB LEU A 50 -4.292 -8.050 4.837 1.00 0.00 C ATOM 741 CG LEU A 50 -5.192 -8.285 3.606 1.00 0.00 C ATOM 742 CD1 LEU A 50 -6.690 -8.141 3.846 1.00 0.00 C ATOM 743 CD2 LEU A 50 -4.813 -7.314 2.492 1.00 0.00 C ATOM 0 H LEU A 50 -5.601 -7.037 6.772 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.151 -9.772 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.276 -6.983 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.272 -8.338 4.583 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.014 -9.327 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.227 -8.327 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.009 -8.861 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.907 -7.131 4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.453 -7.486 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.943 -6.290 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.772 -7.471 2.211 1.00 0.00 H new ATOM 755 N LYS A 51 -3.527 -8.847 8.307 1.00 0.00 N ATOM 756 CA LYS A 51 -2.443 -9.157 9.254 1.00 0.00 C ATOM 757 C LYS A 51 -2.140 -10.663 9.282 1.00 0.00 C ATOM 758 O LYS A 51 -3.037 -11.482 9.485 1.00 0.00 O ATOM 759 CB LYS A 51 -2.829 -8.614 10.636 1.00 0.00 C ATOM 760 CG LYS A 51 -1.682 -8.711 11.648 1.00 0.00 C ATOM 761 CD LYS A 51 -2.038 -8.007 12.966 1.00 0.00 C ATOM 762 CE LYS A 51 -0.860 -7.964 13.953 1.00 0.00 C ATOM 763 NZ LYS A 51 -0.469 -9.313 14.456 1.00 0.00 N ATOM 0 H LYS A 51 -4.316 -8.369 8.743 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.521 -8.672 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.137 -7.573 10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.689 -9.168 11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.454 -9.759 11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.783 -8.263 11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.365 -6.989 12.753 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.879 -8.521 13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.002 -7.502 13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.125 -7.330 14.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.329 -9.219 15.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.276 -9.748 14.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.187 -9.914 13.655 1.00 0.00 H new ATOM 777 N GLY A 52 -0.877 -11.028 9.041 1.00 0.00 N ATOM 778 CA GLY A 52 -0.429 -12.419 8.867 1.00 0.00 C ATOM 779 C GLY A 52 -0.685 -13.006 7.464 1.00 0.00 C ATOM 780 O GLY A 52 -0.430 -14.195 7.242 1.00 0.00 O ATOM 0 H GLY A 52 -0.118 -10.351 8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.639 -12.472 9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.932 -13.044 9.605 1.00 0.00 H new ATOM 784 N ILE A 53 -1.169 -12.190 6.514 1.00 0.00 N ATOM 785 CA ILE A 53 -1.475 -12.579 5.121 1.00 0.00 C ATOM 786 C ILE A 53 -0.750 -11.662 4.113 1.00 0.00 C ATOM 787 O ILE A 53 -0.145 -12.169 3.168 1.00 0.00 O ATOM 788 CB ILE A 53 -3.001 -12.597 4.841 1.00 0.00 C ATOM 789 CG1 ILE A 53 -3.833 -13.223 5.990 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.270 -13.349 3.521 1.00 0.00 C ATOM 791 CD1 ILE A 53 -5.351 -13.230 5.759 1.00 0.00 C ATOM 0 H ILE A 53 -1.366 -11.206 6.697 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.106 -13.596 4.990 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.323 -11.559 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.499 -14.249 6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.623 -12.678 6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.342 -13.363 3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.756 -12.844 2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.903 -14.372 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.847 -13.687 6.615 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.705 -12.206 5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.580 -13.802 4.860 1.00 0.00 H new ATOM 803 N VAL A 54 -0.757 -10.338 4.334 1.00 0.00 N ATOM 804 CA VAL A 54 -0.060 -9.334 3.501 1.00 0.00 C ATOM 805 C VAL A 54 0.434 -8.154 4.362 1.00 0.00 C ATOM 806 O VAL A 54 -0.385 -7.560 5.073 1.00 0.00 O ATOM 807 CB VAL A 54 -0.977 -8.751 2.404 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.138 -8.010 1.361 1.00 0.00 C ATOM 809 CG2 VAL A 54 -1.801 -9.793 1.638 1.00 0.00 C ATOM 0 H VAL A 54 -1.260 -9.921 5.117 1.00 0.00 H new ATOM 0 HA VAL A 54 0.778 -9.856 3.039 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.666 -8.099 2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.792 -7.602 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.406 -7.198 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.571 -8.702 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.414 -9.293 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.130 -10.497 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.445 -10.331 2.334 1.00 0.00 H new ATOM 819 N PRO A 55 1.725 -7.763 4.309 1.00 0.00 N ATOM 820 CA PRO A 55 2.219 -6.531 4.927 1.00 0.00 C ATOM 821 C PRO A 55 1.835 -5.307 4.072 1.00 0.00 C ATOM 822 O PRO A 55 2.011 -5.307 2.848 1.00 0.00 O ATOM 823 CB PRO A 55 3.740 -6.712 5.016 1.00 0.00 C ATOM 824 CG PRO A 55 4.058 -7.613 3.825 1.00 0.00 C ATOM 825 CD PRO A 55 2.821 -8.500 3.704 1.00 0.00 C ATOM 0 HA PRO A 55 1.785 -6.354 5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.263 -5.758 4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.036 -7.172 5.959 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.226 -7.033 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.958 -8.202 3.998 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.607 -8.726 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.975 -9.452 4.211 1.00 0.00 H new ATOM 833 N LEU A 56 1.338 -4.251 4.729 1.00 0.00 N ATOM 834 CA LEU A 56 0.877 -3.001 4.104 1.00 0.00 C ATOM 835 C LEU A 56 1.711 -1.804 4.599 1.00 0.00 C ATOM 836 O LEU A 56 2.123 -1.768 5.760 1.00 0.00 O ATOM 837 CB LEU A 56 -0.621 -2.780 4.413 1.00 0.00 C ATOM 838 CG LEU A 56 -1.581 -3.322 3.337 1.00 0.00 C ATOM 839 CD1 LEU A 56 -1.616 -4.848 3.260 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.006 -2.856 3.617 1.00 0.00 C ATOM 0 H LEU A 56 1.242 -4.241 5.744 1.00 0.00 H new ATOM 0 HA LEU A 56 1.008 -3.082 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.857 -3.255 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.800 -1.712 4.537 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.201 -2.934 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.313 -5.157 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.620 -5.223 3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.940 -5.253 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.674 -3.246 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.323 -3.222 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.041 -1.767 3.609 1.00 0.00 H new ATOM 852 N ALA A 57 1.905 -0.793 3.747 1.00 0.00 N ATOM 853 CA ALA A 57 2.658 0.423 4.065 1.00 0.00 C ATOM 854 C ALA A 57 2.039 1.701 3.460 1.00 0.00 C ATOM 855 O ALA A 57 1.419 1.652 2.396 1.00 0.00 O ATOM 856 CB ALA A 57 4.087 0.243 3.548 1.00 0.00 C ATOM 0 H ALA A 57 1.535 -0.798 2.797 1.00 0.00 H new ATOM 0 HA ALA A 57 2.636 0.560 5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.670 1.136 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.543 -0.620 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.067 0.084 2.470 1.00 0.00 H new ATOM 862 N LYS A 58 2.273 2.861 4.084 1.00 0.00 N ATOM 863 CA LYS A 58 1.830 4.178 3.586 1.00 0.00 C ATOM 864 C LYS A 58 2.966 5.208 3.565 1.00 0.00 C ATOM 865 O LYS A 58 3.842 5.206 4.438 1.00 0.00 O ATOM 866 CB LYS A 58 0.599 4.673 4.370 1.00 0.00 C ATOM 867 CG LYS A 58 0.886 5.051 5.831 1.00 0.00 C ATOM 868 CD LYS A 58 -0.413 5.408 6.567 1.00 0.00 C ATOM 869 CE LYS A 58 -0.087 5.674 8.041 1.00 0.00 C ATOM 870 NZ LYS A 58 -1.309 5.874 8.856 1.00 0.00 N ATOM 0 H LYS A 58 2.784 2.917 4.965 1.00 0.00 H new ATOM 0 HA LYS A 58 1.528 4.052 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.182 5.541 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.165 3.895 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.379 4.220 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.572 5.897 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.872 6.288 6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.132 4.594 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.483 4.836 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.548 6.557 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.062 6.372 9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.996 6.440 8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.727 4.950 9.087 1.00 0.00 H new ATOM 884 N VAL A 59 2.923 6.082 2.561 1.00 0.00 N ATOM 885 CA VAL A 59 3.937 7.098 2.231 1.00 0.00 C ATOM 886 C VAL A 59 3.229 8.357 1.696 1.00 0.00 C ATOM 887 O VAL A 59 2.174 8.260 1.066 1.00 0.00 O ATOM 888 CB VAL A 59 4.924 6.556 1.161 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.088 7.519 0.898 1.00 0.00 C ATOM 890 CG2 VAL A 59 5.554 5.203 1.537 1.00 0.00 C ATOM 0 H VAL A 59 2.135 6.106 1.914 1.00 0.00 H new ATOM 0 HA VAL A 59 4.504 7.343 3.129 1.00 0.00 H new ATOM 0 HB VAL A 59 4.302 6.442 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.749 7.093 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.698 8.473 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.646 7.676 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.232 4.885 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.109 5.307 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.768 4.458 1.663 1.00 0.00 H new ATOM 900 N ASP A 60 3.825 9.540 1.882 1.00 0.00 N ATOM 901 CA ASP A 60 3.299 10.803 1.354 1.00 0.00 C ATOM 902 C ASP A 60 4.309 11.453 0.399 1.00 0.00 C ATOM 903 O ASP A 60 5.444 11.738 0.787 1.00 0.00 O ATOM 904 CB ASP A 60 2.943 11.749 2.506 1.00 0.00 C ATOM 905 CG ASP A 60 1.747 11.242 3.328 1.00 0.00 C ATOM 906 OD1 ASP A 60 0.604 11.329 2.822 1.00 0.00 O ATOM 907 OD2 ASP A 60 1.946 10.802 4.490 1.00 0.00 O ATOM 0 H ASP A 60 4.693 9.648 2.407 1.00 0.00 H new ATOM 0 HA ASP A 60 2.391 10.595 0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.808 11.864 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.713 12.736 2.105 1.00 0.00 H new ATOM 912 N CYS A 61 3.906 11.699 -0.857 1.00 0.00 N ATOM 913 CA CYS A 61 4.774 12.308 -1.874 1.00 0.00 C ATOM 914 C CYS A 61 5.307 13.699 -1.481 1.00 0.00 C ATOM 915 O CYS A 61 6.432 14.063 -1.837 1.00 0.00 O ATOM 916 CB CYS A 61 4.001 12.382 -3.197 1.00 0.00 C ATOM 917 SG CYS A 61 5.036 12.757 -4.636 1.00 0.00 S ATOM 0 H CYS A 61 2.969 11.481 -1.195 1.00 0.00 H new ATOM 0 HA CYS A 61 5.656 11.676 -1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.495 11.431 -3.364 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.226 13.144 -3.111 1.00 0.00 H new ATOM 922 N THR A 62 4.528 14.472 -0.714 1.00 0.00 N ATOM 923 CA THR A 62 4.957 15.774 -0.166 1.00 0.00 C ATOM 924 C THR A 62 6.000 15.642 0.961 1.00 0.00 C ATOM 925 O THR A 62 6.867 16.506 1.109 1.00 0.00 O ATOM 926 CB THR A 62 3.732 16.586 0.296 1.00 0.00 C ATOM 927 OG1 THR A 62 4.057 17.934 0.564 1.00 0.00 O ATOM 928 CG2 THR A 62 3.048 16.022 1.546 1.00 0.00 C ATOM 0 H THR A 62 3.576 14.214 -0.452 1.00 0.00 H new ATOM 0 HA THR A 62 5.456 16.312 -0.972 1.00 0.00 H new ATOM 0 HB THR A 62 3.042 16.515 -0.545 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.252 18.413 0.852 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.195 16.648 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.705 15.007 1.346 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.757 16.009 2.374 1.00 0.00 H new ATOM 936 N ALA A 63 5.953 14.544 1.727 1.00 0.00 N ATOM 937 CA ALA A 63 6.904 14.251 2.809 1.00 0.00 C ATOM 938 C ALA A 63 8.222 13.614 2.310 1.00 0.00 C ATOM 939 O ALA A 63 9.300 13.936 2.821 1.00 0.00 O ATOM 940 CB ALA A 63 6.221 13.338 3.835 1.00 0.00 C ATOM 0 H ALA A 63 5.242 13.822 1.611 1.00 0.00 H new ATOM 0 HA ALA A 63 7.186 15.199 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.917 13.114 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.343 13.840 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.916 12.410 3.351 1.00 0.00 H new ATOM 946 N ASN A 64 8.143 12.745 1.293 1.00 0.00 N ATOM 947 CA ASN A 64 9.291 12.085 0.664 1.00 0.00 C ATOM 948 C ASN A 64 9.156 12.043 -0.866 1.00 0.00 C ATOM 949 O ASN A 64 8.812 11.036 -1.487 1.00 0.00 O ATOM 950 CB ASN A 64 9.521 10.689 1.240 1.00 0.00 C ATOM 951 CG ASN A 64 9.911 10.682 2.710 1.00 0.00 C ATOM 952 OD1 ASN A 64 9.097 10.458 3.595 1.00 0.00 O ATOM 953 ND2 ASN A 64 11.168 10.913 3.026 1.00 0.00 N ATOM 0 H ASN A 64 7.253 12.475 0.875 1.00 0.00 H new ATOM 0 HA ASN A 64 10.171 12.685 0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.612 10.101 1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.304 10.194 0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.458 10.904 4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.852 11.100 2.293 1.00 0.00 H new ATOM 960 N THR A 65 9.456 13.181 -1.477 1.00 0.00 N ATOM 961 CA THR A 65 9.391 13.403 -2.933 1.00 0.00 C ATOM 962 C THR A 65 10.471 12.616 -3.679 1.00 0.00 C ATOM 963 O THR A 65 10.238 12.150 -4.793 1.00 0.00 O ATOM 964 CB THR A 65 9.480 14.903 -3.263 1.00 0.00 C ATOM 965 OG1 THR A 65 8.593 15.637 -2.448 1.00 0.00 O ATOM 966 CG2 THR A 65 9.107 15.202 -4.716 1.00 0.00 C ATOM 0 H THR A 65 9.762 14.008 -0.965 1.00 0.00 H new ATOM 0 HA THR A 65 8.425 13.032 -3.275 1.00 0.00 H new ATOM 0 HB THR A 65 10.516 15.192 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.849 15.062 -2.174 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.186 16.274 -4.899 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.785 14.670 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.084 14.876 -4.903 1.00 0.00 H new ATOM 974 N ASN A 66 11.631 12.390 -3.052 1.00 0.00 N ATOM 975 CA ASN A 66 12.698 11.526 -3.573 1.00 0.00 C ATOM 976 C ASN A 66 12.206 10.082 -3.765 1.00 0.00 C ATOM 977 O ASN A 66 12.314 9.536 -4.861 1.00 0.00 O ATOM 978 CB ASN A 66 13.918 11.595 -2.636 1.00 0.00 C ATOM 979 CG ASN A 66 14.599 12.953 -2.642 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.749 13.600 -3.672 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.038 13.441 -1.503 1.00 0.00 N ATOM 0 H ASN A 66 11.859 12.810 -2.151 1.00 0.00 H new ATOM 0 HA ASN A 66 12.997 11.885 -4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 66 13.602 11.358 -1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.639 10.833 -2.931 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.499 14.351 -1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.918 12.910 -0.640 1.00 0.00 H new ATOM 988 N THR A 67 11.580 9.488 -2.745 1.00 0.00 N ATOM 989 CA THR A 67 10.983 8.138 -2.823 1.00 0.00 C ATOM 990 C THR A 67 9.834 8.079 -3.835 1.00 0.00 C ATOM 991 O THR A 67 9.711 7.120 -4.590 1.00 0.00 O ATOM 992 CB THR A 67 10.461 7.701 -1.439 1.00 0.00 C ATOM 993 OG1 THR A 67 11.430 7.935 -0.439 1.00 0.00 O ATOM 994 CG2 THR A 67 10.104 6.218 -1.387 1.00 0.00 C ATOM 0 H THR A 67 11.469 9.928 -1.832 1.00 0.00 H new ATOM 0 HA THR A 67 11.768 7.459 -3.155 1.00 0.00 H new ATOM 0 HB THR A 67 9.564 8.294 -1.263 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.077 7.652 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.742 5.966 -0.390 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.326 6.005 -2.120 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.988 5.623 -1.614 1.00 0.00 H new ATOM 1002 N CYS A 68 9.011 9.123 -3.875 1.00 0.00 N ATOM 1003 CA CYS A 68 7.831 9.216 -4.735 1.00 0.00 C ATOM 1004 C CYS A 68 8.190 9.210 -6.233 1.00 0.00 C ATOM 1005 O CYS A 68 7.669 8.399 -7.003 1.00 0.00 O ATOM 1006 CB CYS A 68 7.104 10.504 -4.333 1.00 0.00 C ATOM 1007 SG CYS A 68 5.623 10.923 -5.286 1.00 0.00 S ATOM 0 H CYS A 68 9.148 9.951 -3.295 1.00 0.00 H new ATOM 0 HA CYS A 68 7.193 8.343 -4.597 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.823 10.424 -3.283 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.808 11.333 -4.413 1.00 0.00 H new ATOM 1012 N ASN A 69 9.111 10.084 -6.661 1.00 0.00 N ATOM 1013 CA ASN A 69 9.445 10.239 -8.087 1.00 0.00 C ATOM 1014 C ASN A 69 10.322 9.099 -8.625 1.00 0.00 C ATOM 1015 O ASN A 69 10.146 8.653 -9.759 1.00 0.00 O ATOM 1016 CB ASN A 69 10.075 11.622 -8.317 1.00 0.00 C ATOM 1017 CG ASN A 69 11.589 11.693 -8.193 1.00 0.00 C ATOM 1018 OD1 ASN A 69 12.334 11.439 -9.132 1.00 0.00 O ATOM 1019 ND2 ASN A 69 12.089 12.045 -7.032 1.00 0.00 N ATOM 0 H ASN A 69 9.640 10.696 -6.040 1.00 0.00 H new ATOM 0 HA ASN A 69 8.521 10.175 -8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.795 11.966 -9.313 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.639 12.321 -7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.100 12.108 -6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.467 12.256 -6.252 1.00 0.00 H new ATOM 1026 N LYS A 70 11.215 8.593 -7.770 1.00 0.00 N ATOM 1027 CA LYS A 70 12.076 7.420 -8.042 1.00 0.00 C ATOM 1028 C LYS A 70 11.279 6.153 -8.387 1.00 0.00 C ATOM 1029 O LYS A 70 11.762 5.313 -9.152 1.00 0.00 O ATOM 1030 CB LYS A 70 13.010 7.212 -6.840 1.00 0.00 C ATOM 1031 CG LYS A 70 14.020 6.069 -7.035 1.00 0.00 C ATOM 1032 CD LYS A 70 14.992 5.995 -5.848 1.00 0.00 C ATOM 1033 CE LYS A 70 15.947 4.795 -5.933 1.00 0.00 C ATOM 1034 NZ LYS A 70 16.926 4.924 -7.048 1.00 0.00 N ATOM 0 H LYS A 70 11.369 8.992 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 70 12.669 7.622 -8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.554 8.137 -6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.408 7.007 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.490 5.122 -7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.577 6.223 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.575 6.915 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.422 5.935 -4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.485 4.696 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.367 3.882 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.547 4.090 -7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.416 4.992 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.500 5.780 -6.909 1.00 0.00 H new ATOM 1048 N TYR A 71 10.050 6.050 -7.872 1.00 0.00 N ATOM 1049 CA TYR A 71 9.146 4.896 -8.072 1.00 0.00 C ATOM 1050 C TYR A 71 7.994 5.188 -9.048 1.00 0.00 C ATOM 1051 O TYR A 71 7.140 4.338 -9.294 1.00 0.00 O ATOM 1052 CB TYR A 71 8.674 4.347 -6.715 1.00 0.00 C ATOM 1053 CG TYR A 71 9.757 3.535 -6.031 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.891 4.183 -5.515 1.00 0.00 C ATOM 1055 CD2 TYR A 71 9.676 2.130 -6.003 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.945 3.432 -4.959 1.00 0.00 C ATOM 1057 CE2 TYR A 71 10.722 1.371 -5.443 1.00 0.00 C ATOM 1058 CZ TYR A 71 11.865 2.025 -4.926 1.00 0.00 C ATOM 1059 OH TYR A 71 12.906 1.296 -4.436 1.00 0.00 O ATOM 0 H TYR A 71 9.640 6.780 -7.290 1.00 0.00 H new ATOM 0 HA TYR A 71 9.718 4.109 -8.564 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.378 5.175 -6.071 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.791 3.725 -6.861 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.955 5.261 -5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.809 1.632 -6.412 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.814 3.934 -4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.652 0.294 -5.408 1.00 0.00 H new ATOM 0 HH TYR A 71 12.688 0.342 -4.484 1.00 0.00 H new ATOM 1069 N GLY A 72 8.003 6.384 -9.634 1.00 0.00 N ATOM 1070 CA GLY A 72 7.134 6.778 -10.750 1.00 0.00 C ATOM 1071 C GLY A 72 5.727 7.213 -10.336 1.00 0.00 C ATOM 1072 O GLY A 72 4.799 7.154 -11.146 1.00 0.00 O ATOM 0 H GLY A 72 8.633 7.130 -9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.609 7.596 -11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.052 5.941 -11.443 1.00 0.00 H new ATOM 1076 N VAL A 73 5.553 7.641 -9.081 1.00 0.00 N ATOM 1077 CA VAL A 73 4.294 8.179 -8.526 1.00 0.00 C ATOM 1078 C VAL A 73 4.097 9.642 -8.985 1.00 0.00 C ATOM 1079 O VAL A 73 3.985 10.577 -8.194 1.00 0.00 O ATOM 1080 CB VAL A 73 4.237 7.995 -6.991 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.859 8.331 -6.410 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.536 6.540 -6.587 1.00 0.00 C ATOM 0 H VAL A 73 6.308 7.624 -8.395 1.00 0.00 H new ATOM 0 HA VAL A 73 3.450 7.611 -8.918 1.00 0.00 H new ATOM 0 HB VAL A 73 4.989 8.678 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.874 8.185 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.614 9.369 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.108 7.678 -6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.488 6.446 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.799 5.877 -7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.533 6.264 -6.931 1.00 0.00 H new ATOM 1092 N SER A 74 4.095 9.851 -10.303 1.00 0.00 N ATOM 1093 CA SER A 74 3.821 11.139 -10.973 1.00 0.00 C ATOM 1094 C SER A 74 2.419 11.725 -10.696 1.00 0.00 C ATOM 1095 O SER A 74 2.149 12.880 -11.033 1.00 0.00 O ATOM 1096 CB SER A 74 4.017 10.984 -12.489 1.00 0.00 C ATOM 1097 OG SER A 74 5.320 10.492 -12.779 1.00 0.00 O ATOM 0 H SER A 74 4.291 9.101 -10.966 1.00 0.00 H new ATOM 0 HA SER A 74 4.532 11.848 -10.550 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.267 10.302 -12.890 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.868 11.946 -12.980 1.00 0.00 H new ATOM 0 HG SER A 74 5.426 10.398 -13.749 1.00 0.00 H new ATOM 1103 N GLY A 75 1.522 10.951 -10.078 1.00 0.00 N ATOM 1104 CA GLY A 75 0.217 11.352 -9.561 1.00 0.00 C ATOM 1105 C GLY A 75 -0.276 10.320 -8.537 1.00 0.00 C ATOM 1106 O GLY A 75 0.289 9.229 -8.413 1.00 0.00 O ATOM 0 H GLY A 75 1.704 9.961 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.286 12.335 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.498 11.436 -10.379 1.00 0.00 H new ATOM 1110 N TYR A 76 -1.301 10.685 -7.771 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.814 9.934 -6.611 1.00 0.00 C ATOM 1112 C TYR A 76 -3.300 10.246 -6.292 1.00 0.00 C ATOM 1113 O TYR A 76 -3.802 11.274 -6.763 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.877 10.187 -5.409 1.00 0.00 C ATOM 1115 CG TYR A 76 -0.334 11.600 -5.248 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -1.111 12.605 -4.633 1.00 0.00 C ATOM 1117 CD2 TYR A 76 0.961 11.903 -5.708 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -0.588 13.905 -4.466 1.00 0.00 C ATOM 1119 CE2 TYR A 76 1.486 13.195 -5.547 1.00 0.00 C ATOM 1120 CZ TYR A 76 0.721 14.199 -4.913 1.00 0.00 C ATOM 1121 OH TYR A 76 1.243 15.443 -4.749 1.00 0.00 O ATOM 0 H TYR A 76 -1.823 11.545 -7.942 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.810 8.871 -6.850 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.414 9.924 -4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.031 9.505 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.109 12.378 -4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.554 11.138 -6.187 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.186 14.673 -3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.478 13.422 -5.909 1.00 0.00 H new ATOM 0 HH TYR A 76 2.153 15.467 -5.113 1.00 0.00 H new ATOM 1131 N PRO A 77 -4.033 9.401 -5.521 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.579 8.196 -4.813 1.00 0.00 C ATOM 1133 C PRO A 77 -3.120 7.072 -5.749 1.00 0.00 C ATOM 1134 O PRO A 77 -3.739 6.814 -6.782 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.755 7.732 -3.951 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.977 8.265 -4.700 1.00 0.00 C ATOM 1137 CD PRO A 77 -5.467 9.571 -5.312 1.00 0.00 C ATOM 0 HA PRO A 77 -2.701 8.440 -4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.782 6.646 -3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.696 8.136 -2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.317 7.567 -5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.818 8.436 -4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.974 9.781 -6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.665 10.413 -4.649 1.00 0.00 H new ATOM 1145 N THR A 78 -2.023 6.412 -5.366 1.00 0.00 N ATOM 1146 CA THR A 78 -1.329 5.395 -6.167 1.00 0.00 C ATOM 1147 C THR A 78 -0.833 4.284 -5.251 1.00 0.00 C ATOM 1148 O THR A 78 0.081 4.484 -4.447 1.00 0.00 O ATOM 1149 CB THR A 78 -0.176 6.036 -6.953 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.724 6.754 -8.038 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.816 5.046 -7.573 1.00 0.00 C ATOM 0 H THR A 78 -1.578 6.575 -4.462 1.00 0.00 H new ATOM 0 HA THR A 78 -2.018 4.961 -6.891 1.00 0.00 H new ATOM 0 HB THR A 78 0.364 6.645 -6.227 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.334 7.653 -8.066 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.592 5.595 -8.106 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.272 4.446 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.291 4.392 -8.269 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.436 3.100 -5.364 1.00 0.00 N ATOM 1160 CA LEU A 79 -0.992 1.900 -4.654 1.00 0.00 C ATOM 1161 C LEU A 79 -0.182 1.002 -5.607 1.00 0.00 C ATOM 1162 O LEU A 79 -0.492 0.911 -6.799 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.190 1.136 -4.060 1.00 0.00 C ATOM 1164 CG LEU A 79 -2.929 1.795 -2.885 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -3.878 2.922 -3.311 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.767 0.739 -2.164 1.00 0.00 C ATOM 0 H LEU A 79 -2.253 2.946 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.351 2.199 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.911 0.964 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.838 0.158 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.160 2.227 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.365 3.340 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.311 3.703 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.634 2.525 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.294 1.201 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.491 0.312 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.115 -0.050 -1.790 1.00 0.00 H new ATOM 1178 N LYS A 80 0.830 0.312 -5.082 1.00 0.00 N ATOM 1179 CA LYS A 80 1.700 -0.602 -5.855 1.00 0.00 C ATOM 1180 C LYS A 80 2.034 -1.883 -5.082 1.00 0.00 C ATOM 1181 O LYS A 80 2.295 -1.853 -3.878 1.00 0.00 O ATOM 1182 CB LYS A 80 2.998 0.119 -6.270 1.00 0.00 C ATOM 1183 CG LYS A 80 2.785 1.138 -7.400 1.00 0.00 C ATOM 1184 CD LYS A 80 4.116 1.572 -8.032 1.00 0.00 C ATOM 1185 CE LYS A 80 3.868 2.383 -9.307 1.00 0.00 C ATOM 1186 NZ LYS A 80 5.119 2.543 -10.089 1.00 0.00 N ATOM 0 H LYS A 80 1.080 0.366 -4.095 1.00 0.00 H new ATOM 0 HA LYS A 80 1.145 -0.896 -6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.417 0.629 -5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.732 -0.621 -6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.143 0.703 -8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.266 2.013 -7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.685 2.169 -7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.718 0.694 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.115 1.885 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.470 3.364 -9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.891 2.897 -11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.745 3.221 -9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.599 1.624 -10.168 1.00 0.00 H new ATOM 1200 N ILE A 81 2.048 -2.999 -5.810 1.00 0.00 N ATOM 1201 CA ILE A 81 2.410 -4.343 -5.340 1.00 0.00 C ATOM 1202 C ILE A 81 3.843 -4.669 -5.779 1.00 0.00 C ATOM 1203 O ILE A 81 4.228 -4.461 -6.937 1.00 0.00 O ATOM 1204 CB ILE A 81 1.399 -5.395 -5.874 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.014 -5.301 -5.181 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.914 -6.835 -5.659 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.901 -4.175 -5.676 1.00 0.00 C ATOM 0 H ILE A 81 1.794 -2.993 -6.798 1.00 0.00 H new ATOM 0 HA ILE A 81 2.367 -4.372 -4.251 1.00 0.00 H new ATOM 0 HB ILE A 81 1.294 -5.173 -6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.504 -6.251 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.172 -5.172 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.182 -7.545 -6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.859 -6.966 -6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.065 -7.012 -4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.841 -4.201 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.414 -3.213 -5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.100 -4.309 -6.739 1.00 0.00 H new ATOM 1219 N PHE A 82 4.613 -5.255 -4.863 1.00 0.00 N ATOM 1220 CA PHE A 82 6.005 -5.668 -5.043 1.00 0.00 C ATOM 1221 C PHE A 82 6.181 -7.129 -4.611 1.00 0.00 C ATOM 1222 O PHE A 82 6.393 -7.429 -3.435 1.00 0.00 O ATOM 1223 CB PHE A 82 6.948 -4.735 -4.269 1.00 0.00 C ATOM 1224 CG PHE A 82 6.935 -3.295 -4.740 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.954 -2.400 -4.278 1.00 0.00 C ATOM 1226 CD2 PHE A 82 7.910 -2.856 -5.645 1.00 0.00 C ATOM 1227 CE1 PHE A 82 5.951 -1.070 -4.733 1.00 0.00 C ATOM 1228 CE2 PHE A 82 7.902 -1.529 -6.112 1.00 0.00 C ATOM 1229 CZ PHE A 82 6.918 -0.633 -5.654 1.00 0.00 C ATOM 0 H PHE A 82 4.265 -5.465 -3.927 1.00 0.00 H new ATOM 0 HA PHE A 82 6.264 -5.595 -6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.678 -4.761 -3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.965 -5.120 -4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.205 -2.734 -3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.673 -3.540 -5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.202 -0.381 -4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.648 -1.199 -6.819 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.906 0.387 -6.009 1.00 0.00 H new ATOM 1239 N ARG A 83 6.039 -8.055 -5.564 1.00 0.00 N ATOM 1240 CA ARG A 83 6.184 -9.502 -5.336 1.00 0.00 C ATOM 1241 C ARG A 83 7.648 -9.826 -5.021 1.00 0.00 C ATOM 1242 O ARG A 83 8.551 -9.548 -5.811 1.00 0.00 O ATOM 1243 CB ARG A 83 5.586 -10.293 -6.511 1.00 0.00 C ATOM 1244 CG ARG A 83 5.305 -11.757 -6.131 1.00 0.00 C ATOM 1245 CD ARG A 83 4.430 -12.481 -7.170 1.00 0.00 C ATOM 1246 NE ARG A 83 3.056 -11.924 -7.230 1.00 0.00 N ATOM 1247 CZ ARG A 83 2.021 -12.228 -6.463 1.00 0.00 C ATOM 1248 NH1 ARG A 83 2.082 -13.114 -5.511 1.00 0.00 N ATOM 1249 NH2 ARG A 83 0.878 -11.629 -6.648 1.00 0.00 N ATOM 0 H ARG A 83 5.817 -7.820 -6.531 1.00 0.00 H new ATOM 0 HA ARG A 83 5.612 -9.816 -4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.660 -9.818 -6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.273 -10.263 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.251 -12.289 -6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.810 -11.788 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.895 -12.403 -8.153 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.380 -13.542 -6.925 1.00 0.00 H new ATOM 0 HE ARG A 83 2.889 -11.221 -7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.956 -13.608 -5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.256 -13.314 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.783 -10.928 -7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.079 -11.862 -6.058 1.00 0.00 H new ATOM 1263 N ASP A 84 7.871 -10.371 -3.823 1.00 0.00 N ATOM 1264 CA ASP A 84 9.174 -10.555 -3.173 1.00 0.00 C ATOM 1265 C ASP A 84 10.127 -9.341 -3.313 1.00 0.00 C ATOM 1266 O ASP A 84 11.332 -9.481 -3.544 1.00 0.00 O ATOM 1267 CB ASP A 84 9.785 -11.904 -3.576 1.00 0.00 C ATOM 1268 CG ASP A 84 10.946 -12.324 -2.652 1.00 0.00 C ATOM 1269 OD1 ASP A 84 10.855 -12.097 -1.418 1.00 0.00 O ATOM 1270 OD2 ASP A 84 11.928 -12.925 -3.154 1.00 0.00 O ATOM 0 H ASP A 84 7.104 -10.716 -3.246 1.00 0.00 H new ATOM 0 HA ASP A 84 9.005 -10.595 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.011 -12.671 -3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.145 -11.844 -4.603 1.00 0.00 H new ATOM 1275 N GLY A 85 9.574 -8.123 -3.190 1.00 0.00 N ATOM 1276 CA GLY A 85 10.353 -6.878 -3.150 1.00 0.00 C ATOM 1277 C GLY A 85 10.740 -6.278 -4.512 1.00 0.00 C ATOM 1278 O GLY A 85 11.646 -5.445 -4.580 1.00 0.00 O ATOM 0 H GLY A 85 8.567 -7.976 -3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.781 -6.133 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.266 -7.063 -2.585 1.00 0.00 H new ATOM 1282 N GLU A 86 10.056 -6.668 -5.590 1.00 0.00 N ATOM 1283 CA GLU A 86 10.258 -6.172 -6.962 1.00 0.00 C ATOM 1284 C GLU A 86 8.894 -5.877 -7.611 1.00 0.00 C ATOM 1285 O GLU A 86 7.938 -6.631 -7.428 1.00 0.00 O ATOM 1286 CB GLU A 86 11.016 -7.208 -7.806 1.00 0.00 C ATOM 1287 CG GLU A 86 12.460 -7.452 -7.345 1.00 0.00 C ATOM 1288 CD GLU A 86 13.203 -8.363 -8.336 1.00 0.00 C ATOM 1289 OE1 GLU A 86 13.807 -7.844 -9.307 1.00 0.00 O ATOM 1290 OE2 GLU A 86 13.206 -9.610 -8.160 1.00 0.00 O ATOM 0 H GLU A 86 9.315 -7.367 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 86 10.849 -5.258 -6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.472 -8.152 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.028 -6.877 -8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.984 -6.500 -7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.458 -7.909 -6.355 1.00 0.00 H new ATOM 1297 N GLU A 87 8.783 -4.760 -8.339 1.00 0.00 N ATOM 1298 CA GLU A 87 7.509 -4.248 -8.872 1.00 0.00 C ATOM 1299 C GLU A 87 6.765 -5.308 -9.706 1.00 0.00 C ATOM 1300 O GLU A 87 7.310 -5.856 -10.670 1.00 0.00 O ATOM 1301 CB GLU A 87 7.754 -2.966 -9.687 1.00 0.00 C ATOM 1302 CG GLU A 87 6.447 -2.291 -10.138 1.00 0.00 C ATOM 1303 CD GLU A 87 6.717 -1.029 -10.976 1.00 0.00 C ATOM 1304 OE1 GLU A 87 7.257 -1.140 -12.106 1.00 0.00 O ATOM 1305 OE2 GLU A 87 6.368 0.087 -10.524 1.00 0.00 O ATOM 0 H GLU A 87 9.584 -4.176 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 87 6.864 -4.007 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.333 -2.264 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.355 -3.207 -10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.856 -2.996 -10.723 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.853 -2.026 -9.263 1.00 0.00 H new ATOM 1312 N ALA A 88 5.510 -5.585 -9.324 1.00 0.00 N ATOM 1313 CA ALA A 88 4.717 -6.689 -9.881 1.00 0.00 C ATOM 1314 C ALA A 88 3.256 -6.318 -10.208 1.00 0.00 C ATOM 1315 O ALA A 88 2.583 -7.068 -10.918 1.00 0.00 O ATOM 1316 CB ALA A 88 4.784 -7.865 -8.899 1.00 0.00 C ATOM 0 H ALA A 88 5.014 -5.045 -8.615 1.00 0.00 H new ATOM 0 HA ALA A 88 5.151 -6.958 -10.844 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.202 -8.699 -9.290 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.821 -8.174 -8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.376 -7.558 -7.936 1.00 0.00 H new ATOM 1322 N GLY A 89 2.767 -5.153 -9.758 1.00 0.00 N ATOM 1323 CA GLY A 89 1.460 -4.652 -10.181 1.00 0.00 C ATOM 1324 C GLY A 89 1.067 -3.301 -9.587 1.00 0.00 C ATOM 1325 O GLY A 89 0.844 -3.182 -8.385 1.00 0.00 O ATOM 0 H GLY A 89 3.259 -4.545 -9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.453 -4.571 -11.268 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.701 -5.386 -9.911 1.00 0.00 H new ATOM 1329 N ALA A 90 0.981 -2.269 -10.418 1.00 0.00 N ATOM 1330 CA ALA A 90 0.369 -1.001 -10.015 1.00 0.00 C ATOM 1331 C ALA A 90 -1.162 -1.185 -9.921 1.00 0.00 C ATOM 1332 O ALA A 90 -1.805 -1.654 -10.870 1.00 0.00 O ATOM 1333 CB ALA A 90 0.766 0.101 -10.998 1.00 0.00 C ATOM 0 H ALA A 90 1.327 -2.282 -11.377 1.00 0.00 H new ATOM 0 HA ALA A 90 0.729 -0.698 -9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.308 1.042 -10.694 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.851 0.210 -11.004 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.423 -0.163 -11.998 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.745 -0.866 -8.768 1.00 0.00 N ATOM 1340 CA TYR A 91 -3.161 -1.072 -8.455 1.00 0.00 C ATOM 1341 C TYR A 91 -4.096 -0.236 -9.350 1.00 0.00 C ATOM 1342 O TYR A 91 -3.765 0.880 -9.766 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.356 -0.696 -6.983 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.724 -0.972 -6.385 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -5.165 -2.296 -6.196 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.522 0.104 -5.949 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -6.400 -2.547 -5.566 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.747 -0.144 -5.298 1.00 0.00 C ATOM 1349 CZ TYR A 91 -7.191 -1.471 -5.107 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.382 -1.716 -4.499 1.00 0.00 O ATOM 0 H TYR A 91 -1.228 -0.442 -7.998 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.422 -2.114 -8.642 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.612 -1.232 -6.393 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.144 0.368 -6.872 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.555 -3.121 -6.535 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.195 1.120 -6.114 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.742 -3.563 -5.434 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.347 0.682 -4.945 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.882 -0.878 -4.410 1.00 0.00 H new ATOM 1360 N ASP A 92 -5.300 -0.765 -9.607 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.343 -0.118 -10.430 1.00 0.00 C ATOM 1362 C ASP A 92 -7.775 -0.351 -9.892 1.00 0.00 C ATOM 1363 O ASP A 92 -8.769 -0.110 -10.588 1.00 0.00 O ATOM 1364 CB ASP A 92 -6.170 -0.610 -11.880 1.00 0.00 C ATOM 1365 CG ASP A 92 -6.956 0.223 -12.909 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -6.826 1.475 -12.922 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -7.669 -0.374 -13.752 1.00 0.00 O ATOM 0 H ASP A 92 -5.587 -1.674 -9.243 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.215 0.964 -10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.111 -0.588 -12.139 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.492 -1.649 -11.944 1.00 0.00 H new ATOM 1372 N GLY A 93 -7.904 -0.825 -8.644 1.00 0.00 N ATOM 1373 CA GLY A 93 -9.184 -1.115 -7.985 1.00 0.00 C ATOM 1374 C GLY A 93 -9.711 0.042 -7.120 1.00 0.00 C ATOM 1375 O GLY A 93 -9.104 1.118 -7.080 1.00 0.00 O ATOM 0 H GLY A 93 -7.099 -1.022 -8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.927 -1.356 -8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.068 -2.000 -7.360 1.00 0.00 H new ATOM 1379 N PRO A 94 -10.852 -0.149 -6.424 1.00 0.00 N ATOM 1380 CA PRO A 94 -11.426 0.836 -5.506 1.00 0.00 C ATOM 1381 C PRO A 94 -10.438 1.329 -4.436 1.00 0.00 C ATOM 1382 O PRO A 94 -9.732 0.521 -3.824 1.00 0.00 O ATOM 1383 CB PRO A 94 -12.630 0.136 -4.852 1.00 0.00 C ATOM 1384 CG PRO A 94 -13.033 -0.921 -5.880 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.691 -1.342 -6.473 1.00 0.00 C ATOM 0 HA PRO A 94 -11.707 1.734 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.361 -0.315 -3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.443 0.835 -4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.552 -1.760 -5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.701 -0.514 -6.639 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.248 -2.157 -5.901 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.808 -1.698 -7.497 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.424 2.638 -4.156 1.00 0.00 N ATOM 1394 CA ARG A 95 -9.700 3.231 -3.015 1.00 0.00 C ATOM 1395 C ARG A 95 -10.557 3.109 -1.740 1.00 0.00 C ATOM 1396 O ARG A 95 -11.048 4.093 -1.191 1.00 0.00 O ATOM 1397 CB ARG A 95 -9.242 4.673 -3.322 1.00 0.00 C ATOM 1398 CG ARG A 95 -7.958 4.752 -4.168 1.00 0.00 C ATOM 1399 CD ARG A 95 -8.094 4.313 -5.629 1.00 0.00 C ATOM 1400 NE ARG A 95 -9.001 5.194 -6.391 1.00 0.00 N ATOM 1401 CZ ARG A 95 -9.633 4.914 -7.517 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -9.627 3.735 -8.066 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -10.304 5.846 -8.132 1.00 0.00 N ATOM 0 H ARG A 95 -10.920 3.328 -4.720 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.779 2.675 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.043 5.195 -3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.079 5.200 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.596 5.780 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.194 4.136 -3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.111 4.311 -6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.467 3.290 -5.666 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.158 6.125 -6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.116 2.970 -7.625 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.133 3.575 -8.937 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.340 6.789 -7.744 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.793 5.633 -9.001 1.00 0.00 H new ATOM 1417 N THR A 96 -10.762 1.867 -1.310 1.00 0.00 N ATOM 1418 CA THR A 96 -11.472 1.455 -0.084 1.00 0.00 C ATOM 1419 C THR A 96 -10.843 0.177 0.470 1.00 0.00 C ATOM 1420 O THR A 96 -10.272 -0.606 -0.292 1.00 0.00 O ATOM 1421 CB THR A 96 -12.972 1.173 -0.343 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.143 0.162 -1.313 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.752 2.397 -0.825 1.00 0.00 C ATOM 0 H THR A 96 -10.418 1.064 -1.836 1.00 0.00 H new ATOM 0 HA THR A 96 -11.387 2.279 0.625 1.00 0.00 H new ATOM 0 HB THR A 96 -13.364 0.864 0.626 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.100 0.004 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.795 2.124 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.695 3.184 -0.073 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.323 2.757 -1.760 1.00 0.00 H new ATOM 1431 N ALA A 97 -10.974 -0.081 1.776 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.510 -1.313 2.422 1.00 0.00 C ATOM 1433 C ALA A 97 -11.029 -2.587 1.732 1.00 0.00 C ATOM 1434 O ALA A 97 -10.286 -3.552 1.544 1.00 0.00 O ATOM 1435 CB ALA A 97 -10.957 -1.288 3.888 1.00 0.00 C ATOM 0 H ALA A 97 -11.413 0.572 2.425 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.423 -1.346 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.621 -2.197 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.524 -0.420 4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.044 -1.229 3.936 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.297 -2.573 1.314 1.00 0.00 N ATOM 1442 CA ASP A 98 -12.960 -3.689 0.627 1.00 0.00 C ATOM 1443 C ASP A 98 -12.291 -4.045 -0.701 1.00 0.00 C ATOM 1444 O ASP A 98 -12.186 -5.218 -1.051 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.407 -3.297 0.333 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.286 -4.506 -0.024 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.354 -5.474 0.771 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -15.947 -4.477 -1.091 1.00 0.00 O ATOM 0 H ASP A 98 -12.908 -1.767 1.446 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.896 -4.557 1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.827 -2.792 1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.426 -2.583 -0.490 1.00 0.00 H new ATOM 1453 N GLY A 99 -11.815 -3.029 -1.421 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.021 -3.176 -2.640 1.00 0.00 C ATOM 1455 C GLY A 99 -9.701 -3.915 -2.391 1.00 0.00 C ATOM 1456 O GLY A 99 -9.374 -4.864 -3.105 1.00 0.00 O ATOM 0 H GLY A 99 -11.976 -2.055 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.602 -3.718 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.810 -2.190 -3.054 1.00 0.00 H new ATOM 1460 N ILE A 100 -8.984 -3.539 -1.324 1.00 0.00 N ATOM 1461 CA ILE A 100 -7.727 -4.185 -0.916 1.00 0.00 C ATOM 1462 C ILE A 100 -7.945 -5.643 -0.483 1.00 0.00 C ATOM 1463 O ILE A 100 -7.223 -6.537 -0.930 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.031 -3.406 0.226 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.040 -1.868 0.091 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.588 -3.918 0.368 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.479 -1.324 -1.228 1.00 0.00 C ATOM 0 H ILE A 100 -9.262 -2.771 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.081 -4.177 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.621 -3.601 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.065 -1.516 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.465 -1.444 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.087 -3.376 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.601 -4.983 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.052 -3.759 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.530 -0.235 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.441 -1.638 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.067 -1.711 -2.060 1.00 0.00 H new ATOM 1479 N VAL A 101 -8.962 -5.890 0.347 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.352 -7.237 0.790 1.00 0.00 C ATOM 1481 C VAL A 101 -9.747 -8.092 -0.414 1.00 0.00 C ATOM 1482 O VAL A 101 -9.239 -9.197 -0.576 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.488 -7.187 1.833 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -10.974 -8.585 2.243 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -10.026 -6.488 3.118 1.00 0.00 C ATOM 0 H VAL A 101 -9.548 -5.152 0.737 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.492 -7.696 1.277 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.298 -6.640 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.773 -8.491 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.348 -9.112 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.146 -9.145 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.846 -6.467 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.184 -7.032 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.719 -5.468 2.887 1.00 0.00 H new ATOM 1495 N SER A 102 -10.588 -7.563 -1.309 1.00 0.00 N ATOM 1496 CA SER A 102 -10.984 -8.264 -2.550 1.00 0.00 C ATOM 1497 C SER A 102 -9.792 -8.628 -3.442 1.00 0.00 C ATOM 1498 O SER A 102 -9.705 -9.761 -3.911 1.00 0.00 O ATOM 1499 CB SER A 102 -11.991 -7.438 -3.363 1.00 0.00 C ATOM 1500 OG SER A 102 -13.162 -7.177 -2.615 1.00 0.00 O ATOM 0 H SER A 102 -11.015 -6.643 -1.201 1.00 0.00 H new ATOM 0 HA SER A 102 -11.451 -9.193 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.533 -6.497 -3.666 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.252 -7.974 -4.276 1.00 0.00 H new ATOM 0 HG SER A 102 -12.938 -6.621 -1.840 1.00 0.00 H new ATOM 1506 N HIS A 103 -8.842 -7.707 -3.629 1.00 0.00 N ATOM 1507 CA HIS A 103 -7.611 -7.923 -4.398 1.00 0.00 C ATOM 1508 C HIS A 103 -6.736 -9.059 -3.824 1.00 0.00 C ATOM 1509 O HIS A 103 -6.123 -9.816 -4.585 1.00 0.00 O ATOM 1510 CB HIS A 103 -6.859 -6.579 -4.462 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.441 -6.681 -4.954 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.012 -6.642 -6.266 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.335 -6.873 -4.171 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -3.681 -6.817 -6.267 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.221 -6.969 -5.012 1.00 0.00 N ATOM 0 H HIS A 103 -8.909 -6.766 -3.240 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.865 -8.257 -5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.409 -5.900 -5.114 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.854 -6.132 -3.468 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -5.601 -6.505 -7.087 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.324 -6.939 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.064 -6.833 -7.153 1.00 0.00 H new ATOM 1523 N LEU A 104 -6.703 -9.220 -2.492 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.077 -10.363 -1.827 1.00 0.00 C ATOM 1525 C LEU A 104 -6.904 -11.643 -2.033 1.00 0.00 C ATOM 1526 O LEU A 104 -6.364 -12.642 -2.513 1.00 0.00 O ATOM 1527 CB LEU A 104 -5.836 -10.002 -0.347 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.235 -11.098 0.552 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.283 -12.108 1.029 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.062 -11.839 -0.087 1.00 0.00 C ATOM 0 H LEU A 104 -7.116 -8.550 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.106 -10.582 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.175 -9.136 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.788 -9.694 0.086 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.851 -10.556 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.805 -12.858 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.053 -11.591 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.738 -12.595 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.690 -12.596 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.393 -12.319 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.265 -11.131 -0.314 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.205 -11.636 -1.727 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.031 -12.860 -1.801 1.00 0.00 C ATOM 1544 C LYS A 105 -9.029 -13.488 -3.203 1.00 0.00 C ATOM 1545 O LYS A 105 -8.987 -14.711 -3.325 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.484 -12.580 -1.391 1.00 0.00 C ATOM 1547 CG LYS A 105 -10.648 -12.253 0.097 1.00 0.00 C ATOM 1548 CD LYS A 105 -12.116 -12.259 0.549 1.00 0.00 C ATOM 1549 CE LYS A 105 -13.000 -11.286 -0.237 1.00 0.00 C ATOM 1550 NZ LYS A 105 -14.413 -11.326 0.234 1.00 0.00 N ATOM 0 H LYS A 105 -8.713 -10.804 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.578 -13.565 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.866 -11.747 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.095 -13.449 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.088 -12.978 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.214 -11.274 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.516 -13.267 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.163 -12.006 1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.610 -10.274 -0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.962 -11.535 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.983 -10.655 -0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.793 -12.286 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.451 -11.064 1.240 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.018 -12.646 -4.244 1.00 0.00 N ATOM 1565 CA LYS A 106 -8.981 -13.026 -5.677 1.00 0.00 C ATOM 1566 C LYS A 106 -7.715 -13.781 -6.136 1.00 0.00 C ATOM 1567 O LYS A 106 -7.733 -14.368 -7.217 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.185 -11.764 -6.538 1.00 0.00 C ATOM 1569 CG LYS A 106 -10.654 -11.308 -6.591 1.00 0.00 C ATOM 1570 CD LYS A 106 -11.496 -12.135 -7.576 1.00 0.00 C ATOM 1571 CE LYS A 106 -12.977 -11.748 -7.463 1.00 0.00 C ATOM 1572 NZ LYS A 106 -13.834 -12.583 -8.348 1.00 0.00 N ATOM 0 H LYS A 106 -9.035 -11.635 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.791 -13.742 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.573 -10.955 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.834 -11.960 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.090 -11.383 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.694 -10.257 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.146 -11.968 -8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.373 -13.198 -7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.304 -11.859 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.099 -10.697 -7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.827 -12.292 -8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.538 -12.457 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.737 -13.584 -8.082 1.00 0.00 H new ATOM 1586 N GLN A 107 -6.648 -13.808 -5.326 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.427 -14.589 -5.572 1.00 0.00 C ATOM 1588 C GLN A 107 -5.161 -15.653 -4.491 1.00 0.00 C ATOM 1589 O GLN A 107 -4.667 -16.741 -4.789 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.232 -13.640 -5.746 1.00 0.00 C ATOM 1591 CG GLN A 107 -3.938 -12.667 -4.588 1.00 0.00 C ATOM 1592 CD GLN A 107 -2.850 -11.655 -4.949 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -1.684 -11.979 -5.162 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.194 -10.387 -5.037 1.00 0.00 N ATOM 0 H GLN A 107 -6.609 -13.273 -4.458 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.574 -15.149 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.341 -14.245 -5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -4.395 -13.052 -6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -4.852 -12.136 -4.320 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.629 -13.233 -3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.159 -10.107 -4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.495 -9.685 -5.280 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.549 -15.365 -3.249 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.580 -16.334 -2.143 1.00 0.00 C ATOM 1605 C ALA A 108 -6.635 -17.461 -2.321 1.00 0.00 C ATOM 1606 O ALA A 108 -6.520 -18.517 -1.691 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.818 -15.565 -0.838 1.00 0.00 C ATOM 0 H ALA A 108 -5.858 -14.433 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.619 -16.848 -2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.845 -16.265 -0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.011 -14.849 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.768 -15.034 -0.897 1.00 0.00 H new