USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot -170:sc= 0.054 USER MOD Set 1.2: A 64 SER OG : rot -168:sc= 0.0523 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -4.09! C(o=-8.6!,f=-13!) USER MOD Set 2.2: A 60 TYR OH : rot -171:sc= -4.55! USER MOD Set 3.1: A 28 MET CE :methyl -135:sc= -0.476 (180deg=-1.69) USER MOD Set 3.2: A 65 MET CE :methyl -176:sc= -0.0432 (180deg=-0.0821) USER MOD Single : A 14 SER OG : rot 25:sc= 0.256 USER MOD Single : A 17 CYS SG : rot 180:sc=-0.00918 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.5) USER MOD Single : A 23 MET CE :methyl 148:sc= -0.261 (180deg=-3.01!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 42 GLN : amide:sc= 0.724 K(o=0.72,f=-5.6!) USER MOD Single : A 46 LYS NZ :NH3+ -121:sc= -0.911 (180deg=-2.63!) USER MOD Single : A 63 MET CE :methyl -151:sc= -0.272 (180deg=-1.46!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.439 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.31) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.333 F(o=-1.5,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 7.464 -0.100 -7.800 1.00 0.00 N ATOM 24 CA SER A 14 6.173 -0.781 -7.502 1.00 0.00 C ATOM 25 C SER A 14 5.770 -0.470 -6.065 1.00 0.00 C ATOM 26 O SER A 14 6.562 0.021 -5.284 1.00 0.00 O ATOM 27 CB SER A 14 6.336 -2.291 -7.657 1.00 0.00 C ATOM 28 OG SER A 14 6.947 -2.576 -8.906 1.00 0.00 O ATOM 0 HA SER A 14 5.408 -0.427 -8.193 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.944 -2.687 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.364 -2.781 -7.596 1.00 0.00 H new ATOM 0 HG SER A 14 7.469 -1.800 -9.199 1.00 0.00 H new ATOM 34 N ILE A 15 4.545 -0.759 -5.705 1.00 0.00 N ATOM 35 CA ILE A 15 4.078 -0.492 -4.311 1.00 0.00 C ATOM 36 C ILE A 15 3.413 -1.748 -3.753 1.00 0.00 C ATOM 37 O ILE A 15 2.546 -2.336 -4.371 1.00 0.00 O ATOM 38 CB ILE A 15 3.070 0.659 -4.325 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.768 1.933 -4.812 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.532 0.884 -2.910 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.724 3.020 -5.087 1.00 0.00 C ATOM 0 H ILE A 15 3.844 -1.171 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 15 4.928 -0.221 -3.684 1.00 0.00 H new ATOM 0 HB ILE A 15 2.244 0.414 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.479 2.279 -4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.337 1.724 -5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.814 1.704 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.041 -0.024 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.357 1.132 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.223 3.925 -5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.030 2.673 -5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.174 3.237 -4.171 1.00 0.00 H new ATOM 53 N TRP A 16 3.806 -2.154 -2.578 1.00 0.00 N ATOM 54 CA TRP A 16 3.204 -3.366 -1.947 1.00 0.00 C ATOM 55 C TRP A 16 3.023 -3.074 -0.457 1.00 0.00 C ATOM 56 O TRP A 16 3.902 -2.528 0.178 1.00 0.00 O ATOM 57 CB TRP A 16 4.152 -4.557 -2.120 1.00 0.00 C ATOM 58 CG TRP A 16 4.413 -4.796 -3.575 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.213 -4.029 -4.356 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.910 -5.866 -4.432 1.00 0.00 C ATOM 61 NE1 TRP A 16 5.224 -4.552 -5.635 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.439 -5.685 -5.732 1.00 0.00 C ATOM 63 CE3 TRP A 16 3.052 -6.963 -4.215 1.00 0.00 C ATOM 64 CZ2 TRP A 16 4.133 -6.558 -6.776 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.744 -7.844 -5.264 1.00 0.00 C ATOM 66 CH2 TRP A 16 3.284 -7.642 -6.541 1.00 0.00 C ATOM 0 H TRP A 16 4.526 -1.694 -2.021 1.00 0.00 H new ATOM 0 HA TRP A 16 2.247 -3.605 -2.412 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.091 -4.364 -1.601 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.716 -5.448 -1.669 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.754 -3.152 -4.031 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.748 -4.151 -6.413 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.629 -7.127 -3.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.550 -6.397 -7.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.087 -8.682 -5.085 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.044 -8.324 -7.343 1.00 0.00 H new ATOM 77 N CYS A 17 1.889 -3.416 0.105 1.00 0.00 N ATOM 78 CA CYS A 17 1.648 -3.138 1.557 1.00 0.00 C ATOM 79 C CYS A 17 1.150 -4.401 2.258 1.00 0.00 C ATOM 80 O CYS A 17 0.316 -5.123 1.748 1.00 0.00 O ATOM 81 CB CYS A 17 0.588 -2.042 1.686 1.00 0.00 C ATOM 82 SG CYS A 17 1.234 -0.493 1.012 1.00 0.00 S ATOM 0 H CYS A 17 1.118 -3.876 -0.379 1.00 0.00 H new ATOM 0 HA CYS A 17 2.581 -2.816 2.020 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.317 -2.333 1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.313 -1.909 2.732 1.00 0.00 H new ATOM 0 HG CYS A 17 0.332 0.437 1.120 1.00 0.00 H new ATOM 88 N SER A 18 1.653 -4.661 3.433 1.00 0.00 N ATOM 89 CA SER A 18 1.211 -5.861 4.190 1.00 0.00 C ATOM 90 C SER A 18 -0.211 -5.613 4.703 1.00 0.00 C ATOM 91 O SER A 18 -0.616 -4.481 4.879 1.00 0.00 O ATOM 92 CB SER A 18 2.167 -6.081 5.369 1.00 0.00 C ATOM 93 OG SER A 18 3.328 -6.761 4.911 1.00 0.00 O ATOM 0 H SER A 18 2.355 -4.089 3.902 1.00 0.00 H new ATOM 0 HA SER A 18 1.219 -6.746 3.553 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.443 -5.124 5.812 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.674 -6.663 6.148 1.00 0.00 H new ATOM 0 HG SER A 18 3.942 -6.902 5.662 1.00 0.00 H new ATOM 99 N PRO A 19 -0.976 -6.653 4.935 1.00 0.00 N ATOM 100 CA PRO A 19 -2.377 -6.508 5.426 1.00 0.00 C ATOM 101 C PRO A 19 -2.457 -5.623 6.678 1.00 0.00 C ATOM 102 O PRO A 19 -3.407 -4.895 6.872 1.00 0.00 O ATOM 103 CB PRO A 19 -2.834 -7.954 5.731 1.00 0.00 C ATOM 104 CG PRO A 19 -1.597 -8.803 5.667 1.00 0.00 C ATOM 105 CD PRO A 19 -0.606 -8.068 4.764 1.00 0.00 C ATOM 0 HA PRO A 19 -3.014 -6.017 4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.299 -8.017 6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.575 -8.290 5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.177 -8.951 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.826 -9.791 5.267 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.425 -8.253 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.697 -8.385 3.725 1.00 0.00 H new ATOM 113 N GLN A 20 -1.464 -5.673 7.523 1.00 0.00 N ATOM 114 CA GLN A 20 -1.497 -4.831 8.751 1.00 0.00 C ATOM 115 C GLN A 20 -1.575 -3.365 8.327 1.00 0.00 C ATOM 116 O GLN A 20 -2.364 -2.594 8.844 1.00 0.00 O ATOM 117 CB GLN A 20 -0.219 -5.077 9.566 1.00 0.00 C ATOM 118 CG GLN A 20 -0.231 -4.229 10.843 1.00 0.00 C ATOM 119 CD GLN A 20 -1.433 -4.609 11.709 1.00 0.00 C ATOM 120 OE1 GLN A 20 -1.698 -5.776 11.924 1.00 0.00 O ATOM 121 NE2 GLN A 20 -2.174 -3.667 12.226 1.00 0.00 N ATOM 0 H GLN A 20 -0.635 -6.258 7.417 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.361 -5.083 9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.141 -6.133 9.823 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.657 -4.830 8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.693 -4.382 11.401 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.277 -3.171 10.587 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.953 -2.688 12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.974 -3.910 12.810 1.00 0.00 H new ATOM 130 N GLU A 21 -0.781 -2.977 7.366 1.00 0.00 N ATOM 131 CA GLU A 21 -0.831 -1.567 6.892 1.00 0.00 C ATOM 132 C GLU A 21 -2.237 -1.279 6.372 1.00 0.00 C ATOM 133 O GLU A 21 -2.792 -0.224 6.605 1.00 0.00 O ATOM 134 CB GLU A 21 0.181 -1.363 5.765 1.00 0.00 C ATOM 135 CG GLU A 21 1.603 -1.404 6.329 1.00 0.00 C ATOM 136 CD GLU A 21 1.851 -0.153 7.175 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.048 0.763 7.096 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.842 -0.131 7.886 1.00 0.00 O ATOM 0 H GLU A 21 -0.103 -3.573 6.891 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.588 -0.892 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.058 -2.138 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.003 -0.407 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.740 -2.299 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.327 -1.456 5.516 1.00 0.00 H new ATOM 145 N ILE A 22 -2.825 -2.217 5.676 1.00 0.00 N ATOM 146 CA ILE A 22 -4.201 -1.996 5.156 1.00 0.00 C ATOM 147 C ILE A 22 -5.167 -1.925 6.335 1.00 0.00 C ATOM 148 O ILE A 22 -6.000 -1.044 6.412 1.00 0.00 O ATOM 149 CB ILE A 22 -4.612 -3.148 4.233 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.683 -3.175 3.008 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.060 -2.941 3.780 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.970 -4.407 2.131 1.00 0.00 C ATOM 0 H ILE A 22 -2.412 -3.121 5.448 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.227 -1.065 4.589 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.532 -4.095 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.820 -2.266 2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.643 -3.190 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.356 -3.759 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.714 -2.920 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.142 -1.996 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.301 -4.405 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.809 -5.314 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.004 -4.376 1.787 1.00 0.00 H new ATOM 164 N MET A 23 -5.073 -2.847 7.259 1.00 0.00 N ATOM 165 CA MET A 23 -5.997 -2.824 8.425 1.00 0.00 C ATOM 166 C MET A 23 -6.038 -1.420 9.024 1.00 0.00 C ATOM 167 O MET A 23 -6.965 -1.063 9.723 1.00 0.00 O ATOM 168 CB MET A 23 -5.493 -3.807 9.486 1.00 0.00 C ATOM 169 CG MET A 23 -5.754 -5.251 9.044 1.00 0.00 C ATOM 170 SD MET A 23 -4.989 -6.387 10.228 1.00 0.00 S ATOM 171 CE MET A 23 -5.963 -5.919 11.680 1.00 0.00 C ATOM 0 H MET A 23 -4.397 -3.611 7.254 1.00 0.00 H new ATOM 0 HA MET A 23 -6.997 -3.108 8.098 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.426 -3.658 9.651 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.993 -3.615 10.435 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.826 -5.437 8.985 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.346 -5.418 8.047 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.093 -6.787 12.326 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.444 -5.133 12.228 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.940 -5.555 11.361 1.00 0.00 H new ATOM 181 N ALA A 24 -5.046 -0.613 8.758 1.00 0.00 N ATOM 182 CA ALA A 24 -5.053 0.765 9.323 1.00 0.00 C ATOM 183 C ALA A 24 -5.971 1.657 8.478 1.00 0.00 C ATOM 184 O ALA A 24 -6.283 2.770 8.852 1.00 0.00 O ATOM 185 CB ALA A 24 -3.632 1.333 9.298 1.00 0.00 C ATOM 0 H ALA A 24 -4.239 -0.846 8.180 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.416 0.735 10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.636 2.342 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.976 0.699 9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.270 1.364 8.270 1.00 0.00 H new ATOM 191 N ALA A 25 -6.414 1.176 7.343 1.00 0.00 N ATOM 192 CA ALA A 25 -7.319 1.997 6.484 1.00 0.00 C ATOM 193 C ALA A 25 -8.768 1.804 6.942 1.00 0.00 C ATOM 194 O ALA A 25 -9.267 0.698 7.002 1.00 0.00 O ATOM 195 CB ALA A 25 -7.183 1.552 5.026 1.00 0.00 C ATOM 0 H ALA A 25 -6.188 0.252 6.975 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.046 3.049 6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.844 2.151 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.152 1.687 4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.456 0.500 4.940 1.00 0.00 H new ATOM 201 N ASP A 26 -9.450 2.870 7.264 1.00 0.00 N ATOM 202 CA ASP A 26 -10.868 2.742 7.713 1.00 0.00 C ATOM 203 C ASP A 26 -11.714 2.116 6.597 1.00 0.00 C ATOM 204 O ASP A 26 -12.603 1.328 6.847 1.00 0.00 O ATOM 205 CB ASP A 26 -11.420 4.126 8.068 1.00 0.00 C ATOM 206 CG ASP A 26 -11.359 5.037 6.839 1.00 0.00 C ATOM 207 OD1 ASP A 26 -10.650 4.695 5.906 1.00 0.00 O ATOM 208 OD2 ASP A 26 -12.018 6.064 6.855 1.00 0.00 O ATOM 0 H ASP A 26 -9.088 3.823 7.236 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.910 2.100 8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.449 4.039 8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.842 4.560 8.884 1.00 0.00 H new ATOM 213 N GLY A 27 -11.450 2.472 5.371 1.00 0.00 N ATOM 214 CA GLY A 27 -12.243 1.915 4.236 1.00 0.00 C ATOM 215 C GLY A 27 -12.203 0.383 4.248 1.00 0.00 C ATOM 216 O GLY A 27 -13.053 -0.265 3.669 1.00 0.00 O ATOM 0 H GLY A 27 -10.716 3.128 5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.276 2.257 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.846 2.287 3.291 1.00 0.00 H new ATOM 220 N MET A 28 -11.220 -0.202 4.890 1.00 0.00 N ATOM 221 CA MET A 28 -11.112 -1.697 4.929 1.00 0.00 C ATOM 222 C MET A 28 -11.074 -2.166 6.391 1.00 0.00 C ATOM 223 O MET A 28 -10.022 -2.439 6.932 1.00 0.00 O ATOM 224 CB MET A 28 -9.819 -2.112 4.218 1.00 0.00 C ATOM 225 CG MET A 28 -9.647 -1.260 2.960 1.00 0.00 C ATOM 226 SD MET A 28 -8.475 -2.055 1.838 1.00 0.00 S ATOM 227 CE MET A 28 -8.595 -0.818 0.525 1.00 0.00 C ATOM 0 H MET A 28 -10.483 0.294 5.392 1.00 0.00 H new ATOM 0 HA MET A 28 -11.969 -2.150 4.431 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.965 -1.979 4.882 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.857 -3.169 3.955 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.609 -1.130 2.464 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.290 -0.266 3.229 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.684 -1.318 -0.439 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.473 -0.194 0.692 1.00 0.00 H new ATOM 0 HE3 MET A 28 -7.701 -0.195 0.529 1.00 0.00 H new ATOM 237 N PRO A 29 -12.221 -2.241 7.029 1.00 0.00 N ATOM 238 CA PRO A 29 -12.330 -2.663 8.459 1.00 0.00 C ATOM 239 C PRO A 29 -12.306 -4.182 8.641 1.00 0.00 C ATOM 240 O PRO A 29 -12.439 -4.938 7.698 1.00 0.00 O ATOM 241 CB PRO A 29 -13.694 -2.113 8.871 1.00 0.00 C ATOM 242 CG PRO A 29 -14.512 -2.208 7.623 1.00 0.00 C ATOM 243 CD PRO A 29 -13.550 -1.932 6.461 1.00 0.00 C ATOM 0 HA PRO A 29 -11.491 -2.298 9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.132 -2.696 9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.620 -1.084 9.223 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.965 -3.195 7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.326 -1.484 7.635 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.773 -2.560 5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.612 -0.896 6.126 1.00 0.00 H new ATOM 251 N GLY A 30 -12.138 -4.629 9.860 1.00 0.00 N ATOM 252 CA GLY A 30 -12.100 -6.093 10.140 1.00 0.00 C ATOM 253 C GLY A 30 -10.648 -6.520 10.306 1.00 0.00 C ATOM 254 O GLY A 30 -9.738 -5.804 9.937 1.00 0.00 O ATOM 0 H GLY A 30 -12.025 -4.034 10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.666 -6.320 11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.566 -6.646 9.324 1.00 0.00 H new ATOM 258 N SER A 31 -10.418 -7.673 10.860 1.00 0.00 N ATOM 259 CA SER A 31 -9.017 -8.130 11.050 1.00 0.00 C ATOM 260 C SER A 31 -8.428 -8.482 9.689 1.00 0.00 C ATOM 261 O SER A 31 -8.987 -8.160 8.660 1.00 0.00 O ATOM 262 CB SER A 31 -8.991 -9.362 11.954 1.00 0.00 C ATOM 263 OG SER A 31 -9.782 -10.389 11.373 1.00 0.00 O ATOM 0 H SER A 31 -11.137 -8.318 11.189 1.00 0.00 H new ATOM 0 HA SER A 31 -8.431 -7.338 11.516 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.966 -9.708 12.087 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.373 -9.109 12.943 1.00 0.00 H new ATOM 0 HG SER A 31 -9.765 -11.181 11.950 1.00 0.00 H new ATOM 269 N VAL A 32 -7.294 -9.114 9.667 1.00 0.00 N ATOM 270 CA VAL A 32 -6.671 -9.444 8.359 1.00 0.00 C ATOM 271 C VAL A 32 -7.642 -10.277 7.514 1.00 0.00 C ATOM 272 O VAL A 32 -7.843 -10.007 6.348 1.00 0.00 O ATOM 273 CB VAL A 32 -5.386 -10.234 8.594 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.762 -10.586 7.247 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.405 -9.380 9.401 1.00 0.00 C ATOM 0 H VAL A 32 -6.773 -9.415 10.491 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.439 -8.521 7.827 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.611 -11.147 9.145 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.844 -11.150 7.408 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.462 -11.189 6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.534 -9.670 6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.487 -9.942 9.570 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.176 -8.469 8.848 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.853 -9.120 10.360 1.00 0.00 H new ATOM 285 N ALA A 33 -8.248 -11.285 8.082 1.00 0.00 N ATOM 286 CA ALA A 33 -9.202 -12.116 7.289 1.00 0.00 C ATOM 287 C ALA A 33 -10.351 -11.238 6.779 1.00 0.00 C ATOM 288 O ALA A 33 -10.806 -11.387 5.664 1.00 0.00 O ATOM 289 CB ALA A 33 -9.770 -13.229 8.173 1.00 0.00 C ATOM 0 H ALA A 33 -8.126 -11.568 9.054 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.676 -12.555 6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.466 -13.835 7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.956 -13.858 8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.293 -12.788 9.022 1.00 0.00 H new ATOM 295 N GLY A 34 -10.828 -10.327 7.582 1.00 0.00 N ATOM 296 CA GLY A 34 -11.950 -9.454 7.128 1.00 0.00 C ATOM 297 C GLY A 34 -11.541 -8.726 5.848 1.00 0.00 C ATOM 298 O GLY A 34 -12.327 -8.574 4.934 1.00 0.00 O ATOM 0 H GLY A 34 -10.492 -10.149 8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.842 -10.054 6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.201 -8.732 7.905 1.00 0.00 H new ATOM 302 N VAL A 35 -10.317 -8.284 5.768 1.00 0.00 N ATOM 303 CA VAL A 35 -9.866 -7.580 4.536 1.00 0.00 C ATOM 304 C VAL A 35 -9.975 -8.549 3.353 1.00 0.00 C ATOM 305 O VAL A 35 -10.382 -8.184 2.268 1.00 0.00 O ATOM 306 CB VAL A 35 -8.407 -7.141 4.719 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.810 -6.711 3.374 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.355 -5.964 5.698 1.00 0.00 C ATOM 0 H VAL A 35 -9.612 -8.379 6.499 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.484 -6.702 4.348 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.829 -7.978 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.775 -6.402 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.845 -7.548 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.385 -5.877 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.321 -5.648 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.940 -5.134 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.768 -6.271 6.659 1.00 0.00 H new ATOM 318 N HIS A 36 -9.617 -9.785 3.567 1.00 0.00 N ATOM 319 CA HIS A 36 -9.697 -10.799 2.477 1.00 0.00 C ATOM 320 C HIS A 36 -11.149 -10.967 2.030 1.00 0.00 C ATOM 321 O HIS A 36 -11.433 -11.127 0.861 1.00 0.00 O ATOM 322 CB HIS A 36 -9.166 -12.138 2.980 1.00 0.00 C ATOM 323 CG HIS A 36 -7.680 -12.041 3.177 1.00 0.00 C ATOM 324 ND1 HIS A 36 -7.104 -11.130 4.048 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.640 -12.741 2.625 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.772 -11.310 3.994 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.437 -12.281 3.142 1.00 0.00 N ATOM 0 H HIS A 36 -9.269 -10.139 4.458 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.095 -10.461 1.633 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.652 -12.406 3.918 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.399 -12.926 2.264 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.599 -10.449 4.624 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.741 -13.532 1.897 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.060 -10.738 4.570 1.00 0.00 H new ATOM 335 N TYR A 37 -12.072 -10.949 2.953 1.00 0.00 N ATOM 336 CA TYR A 37 -13.501 -11.127 2.571 1.00 0.00 C ATOM 337 C TYR A 37 -13.894 -10.045 1.566 1.00 0.00 C ATOM 338 O TYR A 37 -14.445 -10.328 0.522 1.00 0.00 O ATOM 339 CB TYR A 37 -14.376 -11.007 3.821 1.00 0.00 C ATOM 340 CG TYR A 37 -15.835 -11.064 3.430 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.501 -12.295 3.374 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.524 -9.884 3.130 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.855 -12.344 3.017 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.877 -9.932 2.774 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.542 -11.162 2.717 1.00 0.00 C ATOM 346 OH TYR A 37 -19.876 -11.208 2.367 1.00 0.00 O ATOM 0 H TYR A 37 -11.899 -10.819 3.950 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.642 -12.109 2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.145 -11.813 4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.164 -10.070 4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.971 -13.207 3.606 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.011 -8.934 3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.368 -13.293 2.973 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.408 -9.020 2.543 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.200 -10.300 2.192 1.00 0.00 H new ATOM 356 N ARG A 38 -13.605 -8.810 1.860 1.00 0.00 N ATOM 357 CA ARG A 38 -13.954 -7.724 0.905 1.00 0.00 C ATOM 358 C ARG A 38 -13.222 -7.961 -0.426 1.00 0.00 C ATOM 359 O ARG A 38 -13.812 -7.918 -1.486 1.00 0.00 O ATOM 360 CB ARG A 38 -13.525 -6.379 1.495 1.00 0.00 C ATOM 361 CG ARG A 38 -14.086 -5.238 0.644 1.00 0.00 C ATOM 362 CD ARG A 38 -13.652 -3.902 1.248 1.00 0.00 C ATOM 363 NE ARG A 38 -14.384 -2.776 0.578 1.00 0.00 N ATOM 364 CZ ARG A 38 -14.332 -2.591 -0.716 1.00 0.00 C ATOM 365 NH1 ARG A 38 -13.493 -3.268 -1.450 1.00 0.00 N ATOM 366 NH2 ARG A 38 -15.086 -1.680 -1.274 1.00 0.00 N ATOM 0 H ARG A 38 -13.144 -8.506 2.717 1.00 0.00 H new ATOM 0 HA ARG A 38 -15.030 -7.718 0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.883 -6.290 2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.437 -6.317 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.726 -5.322 -0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -15.174 -5.297 0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.856 -3.894 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.577 -3.771 1.127 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.938 -2.137 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.870 -3.949 -1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.460 -3.117 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.713 -1.116 -0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.047 -1.534 -2.283 1.00 0.00 H new ATOM 380 N ALA A 39 -11.936 -8.195 -0.371 1.00 0.00 N ATOM 381 CA ALA A 39 -11.148 -8.415 -1.623 1.00 0.00 C ATOM 382 C ALA A 39 -11.352 -9.845 -2.135 1.00 0.00 C ATOM 383 O ALA A 39 -10.665 -10.296 -3.032 1.00 0.00 O ATOM 384 CB ALA A 39 -9.662 -8.191 -1.331 1.00 0.00 C ATOM 0 H ALA A 39 -11.394 -8.244 0.492 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.489 -7.713 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.084 -8.351 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.510 -7.171 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.332 -8.892 -0.564 1.00 0.00 H new ATOM 390 N ASN A 40 -12.296 -10.556 -1.588 1.00 0.00 N ATOM 391 CA ASN A 40 -12.547 -11.948 -2.064 1.00 0.00 C ATOM 392 C ASN A 40 -13.227 -11.903 -3.436 1.00 0.00 C ATOM 393 O ASN A 40 -12.935 -12.687 -4.315 1.00 0.00 O ATOM 394 CB ASN A 40 -13.445 -12.685 -1.069 1.00 0.00 C ATOM 395 CG ASN A 40 -13.509 -14.166 -1.449 1.00 0.00 C ATOM 396 OD1 ASN A 40 -12.501 -14.843 -1.481 1.00 0.00 O ATOM 397 ND2 ASN A 40 -14.661 -14.697 -1.750 1.00 0.00 N ATOM 0 H ASN A 40 -12.904 -10.237 -0.834 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.597 -12.477 -2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.055 -12.574 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -14.445 -12.252 -1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -14.716 -15.681 -2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -15.507 -14.128 -1.723 1.00 0.00 H new ATOM 404 N VAL A 41 -14.142 -10.990 -3.612 1.00 0.00 N ATOM 405 CA VAL A 41 -14.857 -10.888 -4.918 1.00 0.00 C ATOM 406 C VAL A 41 -13.870 -10.484 -6.015 1.00 0.00 C ATOM 407 O VAL A 41 -13.855 -11.050 -7.090 1.00 0.00 O ATOM 408 CB VAL A 41 -15.971 -9.837 -4.817 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.538 -9.542 -6.214 1.00 0.00 C ATOM 410 CG2 VAL A 41 -17.093 -10.371 -3.924 1.00 0.00 C ATOM 0 H VAL A 41 -14.427 -10.309 -2.908 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.295 -11.855 -5.164 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.561 -8.921 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.328 -8.795 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.743 -9.163 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.945 -10.458 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.885 -9.626 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.496 -11.288 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.698 -10.580 -2.930 1.00 0.00 H new ATOM 420 N GLN A 42 -13.056 -9.498 -5.761 1.00 0.00 N ATOM 421 CA GLN A 42 -12.082 -9.041 -6.794 1.00 0.00 C ATOM 422 C GLN A 42 -10.801 -9.876 -6.727 1.00 0.00 C ATOM 423 O GLN A 42 -10.473 -10.456 -5.709 1.00 0.00 O ATOM 424 CB GLN A 42 -11.757 -7.571 -6.555 1.00 0.00 C ATOM 425 CG GLN A 42 -12.995 -6.734 -6.878 1.00 0.00 C ATOM 426 CD GLN A 42 -12.701 -5.255 -6.630 1.00 0.00 C ATOM 427 OE1 GLN A 42 -11.834 -4.916 -5.850 1.00 0.00 O ATOM 428 NE2 GLN A 42 -13.394 -4.353 -7.268 1.00 0.00 N ATOM 0 H GLN A 42 -13.022 -8.986 -4.879 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.522 -9.166 -7.783 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.455 -7.415 -5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.919 -7.263 -7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.287 -6.887 -7.917 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.834 -7.056 -6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.122 -4.638 -7.923 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.208 -3.362 -7.112 1.00 0.00 H new ATOM 437 N GLY A 43 -10.073 -9.937 -7.813 1.00 0.00 N ATOM 438 CA GLY A 43 -8.804 -10.725 -7.846 1.00 0.00 C ATOM 439 C GLY A 43 -7.620 -9.785 -7.624 1.00 0.00 C ATOM 440 O GLY A 43 -6.829 -9.538 -8.513 1.00 0.00 O ATOM 0 H GLY A 43 -10.307 -9.469 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.821 -11.496 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.704 -11.235 -8.804 1.00 0.00 H new ATOM 444 N TRP A 44 -7.497 -9.257 -6.442 1.00 0.00 N ATOM 445 CA TRP A 44 -6.370 -8.325 -6.144 1.00 0.00 C ATOM 446 C TRP A 44 -5.033 -9.027 -6.403 1.00 0.00 C ATOM 447 O TRP A 44 -4.939 -10.237 -6.367 1.00 0.00 O ATOM 448 CB TRP A 44 -6.407 -7.943 -4.663 1.00 0.00 C ATOM 449 CG TRP A 44 -7.526 -7.002 -4.370 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.635 -6.818 -5.123 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.647 -6.117 -3.230 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.434 -5.868 -4.506 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.863 -5.407 -3.333 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.816 -5.867 -2.124 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.246 -4.479 -2.364 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.192 -4.939 -1.150 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.407 -4.243 -1.268 1.00 0.00 C ATOM 0 H TRP A 44 -8.131 -9.430 -5.662 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.469 -7.444 -6.778 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.518 -8.842 -4.057 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.460 -7.483 -4.381 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.860 -7.326 -6.049 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.331 -5.549 -4.871 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.880 -6.396 -2.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.181 -3.947 -2.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.547 -4.756 -0.304 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.694 -3.526 -0.513 1.00 0.00 H new ATOM 468 N THR A 45 -3.987 -8.271 -6.617 1.00 0.00 N ATOM 469 CA THR A 45 -2.653 -8.898 -6.820 1.00 0.00 C ATOM 470 C THR A 45 -2.152 -9.350 -5.451 1.00 0.00 C ATOM 471 O THR A 45 -2.018 -8.551 -4.542 1.00 0.00 O ATOM 472 CB THR A 45 -1.684 -7.871 -7.411 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.040 -7.610 -8.761 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.243 -8.400 -7.348 1.00 0.00 C ATOM 0 H THR A 45 -4.001 -7.252 -6.659 1.00 0.00 H new ATOM 0 HA THR A 45 -2.722 -9.742 -7.506 1.00 0.00 H new ATOM 0 HB THR A 45 -1.744 -6.950 -6.831 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.336 -7.079 -9.188 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.435 -7.659 -7.772 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.030 -8.590 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.170 -9.326 -7.918 1.00 0.00 H new ATOM 482 N LYS A 46 -1.908 -10.625 -5.287 1.00 0.00 N ATOM 483 CA LYS A 46 -1.457 -11.145 -3.961 1.00 0.00 C ATOM 484 C LYS A 46 -0.276 -12.094 -4.142 1.00 0.00 C ATOM 485 O LYS A 46 -0.179 -12.801 -5.126 1.00 0.00 O ATOM 486 CB LYS A 46 -2.612 -11.941 -3.349 1.00 0.00 C ATOM 487 CG LYS A 46 -3.825 -11.030 -3.173 1.00 0.00 C ATOM 488 CD LYS A 46 -4.986 -11.825 -2.560 1.00 0.00 C ATOM 489 CE LYS A 46 -5.387 -12.990 -3.484 1.00 0.00 C ATOM 490 NZ LYS A 46 -4.619 -14.210 -3.104 1.00 0.00 N ATOM 0 H LYS A 46 -2.002 -11.331 -6.017 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.160 -10.311 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.867 -12.783 -3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.312 -12.354 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.569 -10.188 -2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.124 -10.616 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.695 -12.211 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.841 -11.168 -2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.457 -13.181 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.187 -12.730 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.062 -14.537 -3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.980 -13.986 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.279 -14.959 -2.813 1.00 0.00 H new ATOM 504 N ARG A 47 0.606 -12.143 -3.181 1.00 0.00 N ATOM 505 CA ARG A 47 1.764 -13.085 -3.280 1.00 0.00 C ATOM 506 C ARG A 47 2.128 -13.573 -1.876 1.00 0.00 C ATOM 507 O ARG A 47 1.990 -12.857 -0.904 1.00 0.00 O ATOM 508 CB ARG A 47 2.964 -12.390 -3.936 1.00 0.00 C ATOM 509 CG ARG A 47 3.529 -11.307 -3.015 1.00 0.00 C ATOM 510 CD ARG A 47 4.594 -10.515 -3.776 1.00 0.00 C ATOM 511 NE ARG A 47 5.197 -9.495 -2.875 1.00 0.00 N ATOM 512 CZ ARG A 47 6.303 -8.894 -3.220 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.873 -9.179 -4.359 1.00 0.00 N ATOM 514 NH2 ARG A 47 6.838 -8.008 -2.428 1.00 0.00 N ATOM 0 H ARG A 47 0.578 -11.575 -2.334 1.00 0.00 H new ATOM 0 HA ARG A 47 1.489 -13.938 -3.901 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.738 -13.124 -4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.660 -11.946 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.732 -10.643 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.962 -11.759 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.366 -11.189 -4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.149 -10.030 -4.645 1.00 0.00 H new ATOM 0 HE ARG A 47 4.746 -9.266 -1.989 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.454 -9.872 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.737 -8.709 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.392 -7.784 -1.538 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.702 -7.539 -2.698 1.00 0.00 H new ATOM 678 N VAL A 58 1.840 -12.148 3.682 1.00 0.00 N ATOM 679 CA VAL A 58 1.259 -11.881 2.326 1.00 0.00 C ATOM 680 C VAL A 58 1.264 -10.373 2.053 1.00 0.00 C ATOM 681 O VAL A 58 1.258 -9.568 2.964 1.00 0.00 O ATOM 682 CB VAL A 58 -0.180 -12.404 2.288 1.00 0.00 C ATOM 683 CG1 VAL A 58 -0.181 -13.902 2.592 1.00 0.00 C ATOM 684 CG2 VAL A 58 -1.021 -11.672 3.339 1.00 0.00 C ATOM 0 HA VAL A 58 1.854 -12.385 1.565 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.604 -12.229 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.204 -14.278 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.417 -14.425 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.243 -14.073 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.045 -12.045 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.599 -11.846 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.019 -10.603 3.127 1.00 0.00 H new ATOM 694 N GLU A 59 1.287 -9.987 0.799 1.00 0.00 N ATOM 695 CA GLU A 59 1.307 -8.529 0.446 1.00 0.00 C ATOM 696 C GLU A 59 0.296 -8.236 -0.667 1.00 0.00 C ATOM 697 O GLU A 59 -0.094 -9.118 -1.418 1.00 0.00 O ATOM 698 CB GLU A 59 2.708 -8.145 -0.031 1.00 0.00 C ATOM 699 CG GLU A 59 3.690 -8.247 1.139 1.00 0.00 C ATOM 700 CD GLU A 59 5.093 -7.865 0.666 1.00 0.00 C ATOM 701 OE1 GLU A 59 5.276 -7.728 -0.533 1.00 0.00 O ATOM 702 OE2 GLU A 59 5.959 -7.708 1.510 1.00 0.00 O ATOM 0 H GLU A 59 1.293 -10.621 0.000 1.00 0.00 H new ATOM 0 HA GLU A 59 1.040 -7.947 1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.021 -8.803 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.703 -7.130 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.376 -7.588 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.693 -9.262 1.537 1.00 0.00 H new ATOM 709 N TYR A 60 -0.128 -6.993 -0.770 1.00 0.00 N ATOM 710 CA TYR A 60 -1.120 -6.584 -1.816 1.00 0.00 C ATOM 711 C TYR A 60 -0.559 -5.389 -2.592 1.00 0.00 C ATOM 712 O TYR A 60 0.092 -4.531 -2.029 1.00 0.00 O ATOM 713 CB TYR A 60 -2.409 -6.143 -1.123 1.00 0.00 C ATOM 714 CG TYR A 60 -2.968 -7.292 -0.329 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.579 -7.476 1.003 1.00 0.00 C ATOM 716 CD2 TYR A 60 -3.878 -8.172 -0.921 1.00 0.00 C ATOM 717 CE1 TYR A 60 -3.101 -8.543 1.739 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.399 -9.237 -0.184 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.010 -9.423 1.145 1.00 0.00 C ATOM 720 OH TYR A 60 -4.519 -10.475 1.869 1.00 0.00 O ATOM 0 H TYR A 60 0.179 -6.234 -0.161 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.314 -7.418 -2.491 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.210 -5.296 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.137 -5.810 -1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.877 -6.795 1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.178 -8.028 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.802 -8.688 2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.103 -9.917 -0.641 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.019 -11.071 1.273 1.00 0.00 H new ATOM 730 N ASP A 61 -0.819 -5.304 -3.871 1.00 0.00 N ATOM 731 CA ASP A 61 -0.306 -4.132 -4.653 1.00 0.00 C ATOM 732 C ASP A 61 -1.360 -3.026 -4.629 1.00 0.00 C ATOM 733 O ASP A 61 -2.457 -3.195 -5.122 1.00 0.00 O ATOM 734 CB ASP A 61 -0.041 -4.537 -6.103 1.00 0.00 C ATOM 735 CG ASP A 61 0.592 -3.361 -6.850 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.457 -2.244 -6.378 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.199 -3.598 -7.881 1.00 0.00 O ATOM 0 H ASP A 61 -1.358 -5.985 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 61 0.625 -3.782 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.621 -5.402 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.973 -4.831 -6.587 1.00 0.00 H new ATOM 742 N VAL A 62 -1.046 -1.894 -4.058 1.00 0.00 N ATOM 743 CA VAL A 62 -2.035 -0.782 -4.003 1.00 0.00 C ATOM 744 C VAL A 62 -2.344 -0.277 -5.415 1.00 0.00 C ATOM 745 O VAL A 62 -3.411 0.242 -5.680 1.00 0.00 O ATOM 746 CB VAL A 62 -1.468 0.359 -3.158 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.446 1.535 -3.163 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.266 -0.126 -1.721 1.00 0.00 C ATOM 0 H VAL A 62 -0.144 -1.692 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.958 -1.147 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.513 0.679 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.041 2.348 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.594 1.881 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.401 1.216 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.862 0.686 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.222 -0.445 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.570 -0.965 -1.715 1.00 0.00 H new ATOM 758 N MET A 63 -1.415 -0.405 -6.320 1.00 0.00 N ATOM 759 CA MET A 63 -1.647 0.087 -7.710 1.00 0.00 C ATOM 760 C MET A 63 -2.654 -0.812 -8.429 1.00 0.00 C ATOM 761 O MET A 63 -2.886 -0.665 -9.613 1.00 0.00 O ATOM 762 CB MET A 63 -0.321 0.082 -8.475 1.00 0.00 C ATOM 763 CG MET A 63 0.593 1.182 -7.929 1.00 0.00 C ATOM 764 SD MET A 63 -0.087 2.807 -8.358 1.00 0.00 S ATOM 765 CE MET A 63 0.130 2.703 -10.155 1.00 0.00 C ATOM 0 H MET A 63 -0.502 -0.830 -6.158 1.00 0.00 H new ATOM 0 HA MET A 63 -2.047 1.100 -7.668 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.164 -0.889 -8.376 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.503 0.241 -9.538 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.684 1.089 -6.847 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.595 1.075 -8.344 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.272 3.704 -10.563 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.004 2.092 -10.381 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.755 2.251 -10.603 1.00 0.00 H new ATOM 775 N SER A 64 -3.255 -1.741 -7.726 1.00 0.00 N ATOM 776 CA SER A 64 -4.257 -2.657 -8.363 1.00 0.00 C ATOM 777 C SER A 64 -5.650 -2.400 -7.772 1.00 0.00 C ATOM 778 O SER A 64 -6.651 -2.805 -8.328 1.00 0.00 O ATOM 779 CB SER A 64 -3.852 -4.105 -8.091 1.00 0.00 C ATOM 780 OG SER A 64 -2.700 -4.425 -8.862 1.00 0.00 O ATOM 0 H SER A 64 -3.095 -1.906 -6.732 1.00 0.00 H new ATOM 0 HA SER A 64 -4.285 -2.473 -9.437 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.643 -4.243 -7.030 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.672 -4.777 -8.345 1.00 0.00 H new ATOM 0 HG SER A 64 -2.547 -5.393 -8.835 1.00 0.00 H new ATOM 786 N MET A 65 -5.724 -1.737 -6.646 1.00 0.00 N ATOM 787 CA MET A 65 -7.054 -1.468 -6.018 1.00 0.00 C ATOM 788 C MET A 65 -7.744 -0.270 -6.705 1.00 0.00 C ATOM 789 O MET A 65 -7.084 0.670 -7.102 1.00 0.00 O ATOM 790 CB MET A 65 -6.849 -1.128 -4.541 1.00 0.00 C ATOM 791 CG MET A 65 -6.059 -2.244 -3.848 1.00 0.00 C ATOM 792 SD MET A 65 -6.415 -2.232 -2.072 1.00 0.00 S ATOM 793 CE MET A 65 -5.568 -0.691 -1.642 1.00 0.00 C ATOM 0 H MET A 65 -4.922 -1.370 -6.134 1.00 0.00 H new ATOM 0 HA MET A 65 -7.679 -2.355 -6.127 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.315 -0.182 -4.448 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.815 -0.998 -4.052 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.325 -3.211 -4.276 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.991 -2.105 -4.016 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.612 -0.540 -0.563 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.526 -0.748 -1.958 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.055 0.144 -2.145 1.00 0.00 H new ATOM 803 N PRO A 66 -9.062 -0.275 -6.818 1.00 0.00 N ATOM 804 CA PRO A 66 -9.813 0.863 -7.432 1.00 0.00 C ATOM 805 C PRO A 66 -9.273 2.227 -6.976 1.00 0.00 C ATOM 806 O PRO A 66 -8.584 2.328 -5.982 1.00 0.00 O ATOM 807 CB PRO A 66 -11.244 0.655 -6.922 1.00 0.00 C ATOM 808 CG PRO A 66 -11.379 -0.824 -6.746 1.00 0.00 C ATOM 809 CD PRO A 66 -9.980 -1.353 -6.390 1.00 0.00 C ATOM 0 HA PRO A 66 -9.730 0.872 -8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.409 1.181 -5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.976 1.037 -7.633 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.094 -1.057 -5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.749 -1.291 -7.659 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.890 -1.552 -5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.765 -2.288 -6.908 1.00 0.00 H new ATOM 817 N THR A 67 -9.578 3.274 -7.696 1.00 0.00 N ATOM 818 CA THR A 67 -9.085 4.628 -7.310 1.00 0.00 C ATOM 819 C THR A 67 -9.618 5.015 -5.925 1.00 0.00 C ATOM 820 O THR A 67 -8.922 5.619 -5.133 1.00 0.00 O ATOM 821 CB THR A 67 -9.566 5.653 -8.340 1.00 0.00 C ATOM 822 OG1 THR A 67 -9.068 5.297 -9.624 1.00 0.00 O ATOM 823 CG2 THR A 67 -9.042 7.038 -7.963 1.00 0.00 C ATOM 0 H THR A 67 -10.151 3.249 -8.540 1.00 0.00 H new ATOM 0 HA THR A 67 -7.996 4.612 -7.279 1.00 0.00 H new ATOM 0 HB THR A 67 -10.656 5.668 -8.358 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.375 5.950 -10.287 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.384 7.768 -8.696 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.415 7.312 -6.976 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.952 7.023 -7.947 1.00 0.00 H new ATOM 831 N LYS A 68 -10.854 4.703 -5.634 1.00 0.00 N ATOM 832 CA LYS A 68 -11.426 5.090 -4.310 1.00 0.00 C ATOM 833 C LYS A 68 -10.598 4.473 -3.180 1.00 0.00 C ATOM 834 O LYS A 68 -10.234 5.144 -2.235 1.00 0.00 O ATOM 835 CB LYS A 68 -12.864 4.581 -4.209 1.00 0.00 C ATOM 836 CG LYS A 68 -13.747 5.330 -5.207 1.00 0.00 C ATOM 837 CD LYS A 68 -15.183 4.816 -5.100 1.00 0.00 C ATOM 838 CE LYS A 68 -16.069 5.560 -6.099 1.00 0.00 C ATOM 839 NZ LYS A 68 -17.493 5.180 -5.877 1.00 0.00 N ATOM 0 H LYS A 68 -11.490 4.199 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.408 6.176 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.896 3.511 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.241 4.725 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.716 6.401 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.372 5.186 -6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.212 3.745 -5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.558 4.962 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.946 6.636 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.771 5.316 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.097 5.685 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.604 4.155 -6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.773 5.434 -4.908 1.00 0.00 H new ATOM 853 N GLU A 69 -10.293 3.204 -3.260 1.00 0.00 N ATOM 854 CA GLU A 69 -9.487 2.577 -2.174 1.00 0.00 C ATOM 855 C GLU A 69 -8.078 3.177 -2.176 1.00 0.00 C ATOM 856 O GLU A 69 -7.514 3.462 -1.138 1.00 0.00 O ATOM 857 CB GLU A 69 -9.403 1.064 -2.404 1.00 0.00 C ATOM 858 CG GLU A 69 -10.775 0.430 -2.150 1.00 0.00 C ATOM 859 CD GLU A 69 -10.719 -1.065 -2.475 1.00 0.00 C ATOM 860 OE1 GLU A 69 -9.628 -1.566 -2.685 1.00 0.00 O ATOM 861 OE2 GLU A 69 -11.771 -1.683 -2.516 1.00 0.00 O ATOM 0 H GLU A 69 -10.564 2.582 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.962 2.768 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.079 0.858 -3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.659 0.625 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.067 0.575 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.532 0.918 -2.765 1.00 0.00 H new ATOM 868 N ARG A 70 -7.510 3.383 -3.333 1.00 0.00 N ATOM 869 CA ARG A 70 -6.142 3.978 -3.399 1.00 0.00 C ATOM 870 C ARG A 70 -6.146 5.363 -2.747 1.00 0.00 C ATOM 871 O ARG A 70 -5.227 5.733 -2.048 1.00 0.00 O ATOM 872 CB ARG A 70 -5.683 4.083 -4.856 1.00 0.00 C ATOM 873 CG ARG A 70 -5.414 2.679 -5.407 1.00 0.00 C ATOM 874 CD ARG A 70 -4.908 2.775 -6.849 1.00 0.00 C ATOM 875 NE ARG A 70 -6.007 3.255 -7.730 1.00 0.00 N ATOM 876 CZ ARG A 70 -5.741 3.682 -8.934 1.00 0.00 C ATOM 877 NH1 ARG A 70 -4.517 3.639 -9.386 1.00 0.00 N ATOM 878 NH2 ARG A 70 -6.700 4.139 -9.693 1.00 0.00 N ATOM 0 H ARG A 70 -7.933 3.166 -4.236 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.448 3.334 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.446 4.580 -5.454 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.780 4.691 -4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.676 2.170 -4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.326 2.083 -5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.060 3.457 -6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.555 1.801 -7.188 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.969 3.250 -7.392 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.769 3.272 -8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.309 3.973 -10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.659 4.163 -9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.491 4.472 -10.634 1.00 0.00 H new ATOM 892 N GLU A 71 -7.175 6.135 -2.968 1.00 0.00 N ATOM 893 CA GLU A 71 -7.243 7.487 -2.371 1.00 0.00 C ATOM 894 C GLU A 71 -7.195 7.381 -0.846 1.00 0.00 C ATOM 895 O GLU A 71 -6.573 8.181 -0.175 1.00 0.00 O ATOM 896 CB GLU A 71 -8.565 8.117 -2.816 1.00 0.00 C ATOM 897 CG GLU A 71 -8.726 9.504 -2.211 1.00 0.00 C ATOM 898 CD GLU A 71 -7.581 10.412 -2.662 1.00 0.00 C ATOM 899 OE1 GLU A 71 -7.012 10.140 -3.706 1.00 0.00 O ATOM 900 OE2 GLU A 71 -7.295 11.365 -1.956 1.00 0.00 O ATOM 0 H GLU A 71 -7.977 5.878 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.401 8.099 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.595 8.183 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.397 7.482 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.681 9.933 -2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.739 9.435 -1.123 1.00 0.00 H new ATOM 907 N GLN A 72 -7.865 6.413 -0.296 1.00 0.00 N ATOM 908 CA GLN A 72 -7.885 6.263 1.184 1.00 0.00 C ATOM 909 C GLN A 72 -6.491 5.888 1.700 1.00 0.00 C ATOM 910 O GLN A 72 -6.096 6.287 2.777 1.00 0.00 O ATOM 911 CB GLN A 72 -8.881 5.166 1.567 1.00 0.00 C ATOM 912 CG GLN A 72 -10.304 5.618 1.225 1.00 0.00 C ATOM 913 CD GLN A 72 -10.702 6.796 2.116 1.00 0.00 C ATOM 914 OE1 GLN A 72 -10.635 6.707 3.326 1.00 0.00 O ATOM 915 NE2 GLN A 72 -11.110 7.905 1.563 1.00 0.00 N ATOM 0 H GLN A 72 -8.403 5.715 -0.809 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.184 7.210 1.633 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.644 4.245 1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.805 4.948 2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.361 5.908 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.001 4.792 1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.166 7.978 0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.373 8.699 2.147 1.00 0.00 H new ATOM 924 N VAL A 73 -5.746 5.117 0.954 1.00 0.00 N ATOM 925 CA VAL A 73 -4.390 4.718 1.434 1.00 0.00 C ATOM 926 C VAL A 73 -3.461 5.939 1.442 1.00 0.00 C ATOM 927 O VAL A 73 -2.812 6.224 2.430 1.00 0.00 O ATOM 928 CB VAL A 73 -3.823 3.640 0.503 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.364 3.353 0.870 1.00 0.00 C ATOM 930 CG2 VAL A 73 -4.651 2.361 0.652 1.00 0.00 C ATOM 0 H VAL A 73 -6.014 4.749 0.041 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.463 4.323 2.447 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.869 3.989 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.966 2.586 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.776 4.265 0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.310 3.003 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.252 1.591 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.603 2.015 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.688 2.566 0.386 1.00 0.00 H new ATOM 940 N ILE A 74 -3.400 6.675 0.363 1.00 0.00 N ATOM 941 CA ILE A 74 -2.519 7.883 0.339 1.00 0.00 C ATOM 942 C ILE A 74 -2.998 8.866 1.413 1.00 0.00 C ATOM 943 O ILE A 74 -2.209 9.461 2.121 1.00 0.00 O ATOM 944 CB ILE A 74 -2.567 8.533 -1.062 1.00 0.00 C ATOM 945 CG1 ILE A 74 -1.618 7.791 -2.016 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.139 10.008 -0.989 1.00 0.00 C ATOM 947 CD1 ILE A 74 -1.861 6.282 -1.939 1.00 0.00 C ATOM 0 H ILE A 74 -3.918 6.495 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.487 7.602 0.549 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.591 8.471 -1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.772 8.139 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.583 8.013 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.179 10.448 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.813 10.550 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.121 10.073 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.182 5.769 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.683 5.936 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.891 6.064 -2.222 1.00 0.00 H new ATOM 959 N ALA A 75 -4.283 9.042 1.535 1.00 0.00 N ATOM 960 CA ALA A 75 -4.813 9.984 2.559 1.00 0.00 C ATOM 961 C ALA A 75 -4.369 9.529 3.950 1.00 0.00 C ATOM 962 O ALA A 75 -4.017 10.332 4.795 1.00 0.00 O ATOM 963 CB ALA A 75 -6.341 10.007 2.492 1.00 0.00 C ATOM 0 H ALA A 75 -4.991 8.574 0.969 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.427 10.985 2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.728 10.697 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.657 10.334 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.729 9.007 2.685 1.00 0.00 H new ATOM 969 N HIS A 76 -4.382 8.248 4.201 1.00 0.00 N ATOM 970 CA HIS A 76 -3.970 7.757 5.544 1.00 0.00 C ATOM 971 C HIS A 76 -2.529 8.189 5.798 1.00 0.00 C ATOM 972 O HIS A 76 -2.213 8.752 6.827 1.00 0.00 O ATOM 973 CB HIS A 76 -4.056 6.231 5.578 1.00 0.00 C ATOM 974 CG HIS A 76 -3.656 5.744 6.942 1.00 0.00 C ATOM 975 ND1 HIS A 76 -2.451 5.747 7.601 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -4.568 5.181 7.818 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -2.613 5.195 8.868 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -3.907 4.871 8.947 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.659 7.525 3.537 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.626 8.170 6.310 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.070 5.907 5.346 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.402 5.801 4.819 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.619 5.020 7.629 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.855 5.058 9.625 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.340 4.441 9.764 1.00 0.00 H new ATOM 986 N LEU A 77 -1.657 7.960 4.858 1.00 0.00 N ATOM 987 CA LEU A 77 -0.249 8.397 5.041 1.00 0.00 C ATOM 988 C LEU A 77 -0.252 9.916 5.220 1.00 0.00 C ATOM 989 O LEU A 77 0.476 10.464 6.024 1.00 0.00 O ATOM 990 CB LEU A 77 0.579 8.018 3.808 1.00 0.00 C ATOM 991 CG LEU A 77 0.627 6.490 3.649 1.00 0.00 C ATOM 992 CD1 LEU A 77 1.311 6.143 2.323 1.00 0.00 C ATOM 993 CD2 LEU A 77 1.412 5.855 4.813 1.00 0.00 C ATOM 0 H LEU A 77 -1.858 7.491 3.975 1.00 0.00 H new ATOM 0 HA LEU A 77 0.191 7.912 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.145 8.470 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.590 8.413 3.905 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.390 6.099 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.348 5.060 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.748 6.579 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.325 6.543 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.438 4.773 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.430 6.244 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.924 6.099 5.757 1.00 0.00 H new