USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 636 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 61 HIS : no HD1:sc= -1.41 K(o=-1.6,f=-6.5!) USER MOD Set 1.2: A 63 THR OG1 : rot -149:sc= -0.222 USER MOD Set 2.1: A 11 THR OG1 : rot 68:sc= 1.34 USER MOD Set 2.2: A 21 SER OG : rot 94:sc= 0.653 USER MOD Single : A 5 THR OG1 : rot -27:sc= 0.298 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 10 LYS NZ :NH3+ -155:sc= 0.106 (180deg=-0.492) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.1! C(o=-2.1!,f=-2.1!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 33 SER OG : rot -73:sc= 1.18 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 45 THR OG1 : rot 79:sc= -0.342 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.006) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 70 ASN : amide:sc= -2.26 K(o=-2.3,f=-3.4) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 30:sc= 0.108 USER MOD Single : A 80 SER OG : rot 180:sc=-0.00547 USER MOD Single : A 84 ASN : amide:sc= -2.16 K(o=-2.2,f=-4.9!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.13 K(o=-0.13,f=-2!) USER MOD Single : A 94 CYS SG : rot -107:sc= 0.87 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.402 K(o=-0.4,f=-0.94) USER MOD Single : A 100 SER OG : rot 76:sc= 0.116 USER MOD Single : A 101 CYS SG : rot -130:sc= -0.387 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -17.498 15.162 20.542 1.00 32.12 N ATOM 47 CA THR A 5 -17.842 13.829 21.020 1.00 33.33 C ATOM 48 C THR A 5 -17.853 12.821 19.876 1.00 21.03 C ATOM 49 O THR A 5 -18.085 13.180 18.722 1.00 52.11 O ATOM 50 CB THR A 5 -19.217 13.817 21.713 1.00 44.54 C ATOM 51 OG1 THR A 5 -20.157 14.582 20.949 1.00 54.03 O ATOM 52 CG2 THR A 5 -19.118 14.385 23.120 1.00 62.34 C ATOM 0 HA THR A 5 -17.077 13.546 21.743 1.00 33.33 H new ATOM 0 HB THR A 5 -19.558 12.784 21.778 1.00 44.54 H new ATOM 0 HG1 THR A 5 -19.681 15.271 20.440 1.00 54.03 H new ATOM 0 HG21 THR A 5 -20.101 14.366 23.590 1.00 62.34 H new ATOM 0 HG22 THR A 5 -18.424 13.784 23.707 1.00 62.34 H new ATOM 0 HG23 THR A 5 -18.758 15.413 23.073 1.00 62.34 H new ATOM 60 N ALA A 6 -17.603 11.558 20.205 1.00 33.13 N ATOM 61 CA ALA A 6 -17.588 10.496 19.205 1.00 43.54 C ATOM 62 C ALA A 6 -18.185 9.209 19.761 1.00 44.20 C ATOM 63 O ALA A 6 -18.331 9.053 20.974 1.00 14.23 O ATOM 64 CB ALA A 6 -16.168 10.254 18.716 1.00 10.21 C ATOM 0 H ALA A 6 -17.408 11.245 21.156 1.00 33.13 H new ATOM 0 HA ALA A 6 -18.202 10.815 18.363 1.00 43.54 H new ATOM 0 HB1 ALA A 6 -16.171 9.459 17.970 1.00 10.21 H new ATOM 0 HB2 ALA A 6 -15.776 11.168 18.271 1.00 10.21 H new ATOM 0 HB3 ALA A 6 -15.539 9.961 19.556 1.00 10.21 H new ATOM 70 N THR A 7 -18.532 8.289 18.867 1.00 31.34 N ATOM 71 CA THR A 7 -19.116 7.015 19.268 1.00 53.00 C ATOM 72 C THR A 7 -18.771 5.914 18.272 1.00 4.23 C ATOM 73 O THR A 7 -18.635 6.166 17.075 1.00 1.12 O ATOM 74 CB THR A 7 -20.648 7.114 19.397 1.00 41.44 C ATOM 75 OG1 THR A 7 -21.012 8.395 19.924 1.00 1.04 O ATOM 76 CG2 THR A 7 -21.188 6.016 20.301 1.00 2.42 C ATOM 0 H THR A 7 -18.419 8.402 17.860 1.00 31.34 H new ATOM 0 HA THR A 7 -18.693 6.766 20.241 1.00 53.00 H new ATOM 0 HB THR A 7 -21.083 6.992 18.405 1.00 41.44 H new ATOM 0 HG1 THR A 7 -21.987 8.452 20.002 1.00 1.04 H new ATOM 0 HG21 THR A 7 -22.272 6.107 20.376 1.00 2.42 H new ATOM 0 HG22 THR A 7 -20.934 5.042 19.882 1.00 2.42 H new ATOM 0 HG23 THR A 7 -20.746 6.111 21.293 1.00 2.42 H new ATOM 84 N PHE A 8 -18.632 4.691 18.773 1.00 64.34 N ATOM 85 CA PHE A 8 -18.304 3.550 17.926 1.00 64.03 C ATOM 86 C PHE A 8 -19.570 2.899 17.376 1.00 33.21 C ATOM 87 O PHE A 8 -20.605 2.869 18.042 1.00 34.04 O ATOM 88 CB PHE A 8 -17.489 2.522 18.713 1.00 52.51 C ATOM 89 CG PHE A 8 -17.268 1.236 17.969 1.00 74.14 C ATOM 90 CD1 PHE A 8 -16.370 1.174 16.916 1.00 70.11 C ATOM 91 CD2 PHE A 8 -17.959 0.089 18.323 1.00 33.50 C ATOM 92 CE1 PHE A 8 -16.164 -0.008 16.230 1.00 51.10 C ATOM 93 CE2 PHE A 8 -17.757 -1.096 17.641 1.00 23.23 C ATOM 94 CZ PHE A 8 -16.860 -1.144 16.592 1.00 31.34 C ATOM 0 H PHE A 8 -18.741 4.465 19.762 1.00 64.34 H new ATOM 0 HA PHE A 8 -17.709 3.911 17.087 1.00 64.03 H new ATOM 0 HB2 PHE A 8 -16.522 2.955 18.969 1.00 52.51 H new ATOM 0 HB3 PHE A 8 -18.000 2.306 19.651 1.00 52.51 H new ATOM 0 HD1 PHE A 8 -15.824 2.060 16.628 1.00 70.11 H new ATOM 0 HD2 PHE A 8 -18.663 0.121 19.141 1.00 33.50 H new ATOM 0 HE1 PHE A 8 -15.460 -0.043 15.412 1.00 51.10 H new ATOM 0 HE2 PHE A 8 -18.300 -1.984 17.928 1.00 23.23 H new ATOM 0 HZ PHE A 8 -16.703 -2.068 16.056 1.00 31.34 H new ATOM 104 N ALA A 9 -19.477 2.379 16.156 1.00 65.32 N ATOM 105 CA ALA A 9 -20.614 1.728 15.516 1.00 33.13 C ATOM 106 C ALA A 9 -20.158 0.568 14.638 1.00 2.33 C ATOM 107 O ALA A 9 -18.981 0.463 14.291 1.00 64.02 O ATOM 108 CB ALA A 9 -21.406 2.734 14.695 1.00 70.42 C ATOM 0 H ALA A 9 -18.627 2.396 15.592 1.00 65.32 H new ATOM 0 HA ALA A 9 -21.259 1.327 16.298 1.00 33.13 H new ATOM 0 HB1 ALA A 9 -22.252 2.233 14.223 1.00 70.42 H new ATOM 0 HB2 ALA A 9 -21.772 3.528 15.346 1.00 70.42 H new ATOM 0 HB3 ALA A 9 -20.763 3.163 13.926 1.00 70.42 H new ATOM 114 N LYS A 10 -21.096 -0.304 14.281 1.00 42.22 N ATOM 115 CA LYS A 10 -20.792 -1.456 13.441 1.00 75.44 C ATOM 116 C LYS A 10 -21.391 -1.290 12.050 1.00 64.21 C ATOM 117 O LYS A 10 -22.522 -0.826 11.901 1.00 23.12 O ATOM 118 CB LYS A 10 -21.323 -2.737 14.088 1.00 23.11 C ATOM 119 CG LYS A 10 -20.236 -3.613 14.687 1.00 13.31 C ATOM 120 CD LYS A 10 -19.304 -4.156 13.617 1.00 43.30 C ATOM 121 CE LYS A 10 -20.027 -5.111 12.680 1.00 0.51 C ATOM 122 NZ LYS A 10 -20.714 -6.203 13.424 1.00 34.32 N ATOM 0 H LYS A 10 -22.074 -0.234 14.561 1.00 42.22 H new ATOM 0 HA LYS A 10 -19.709 -1.527 13.343 1.00 75.44 H new ATOM 0 HB2 LYS A 10 -22.035 -2.471 14.869 1.00 23.11 H new ATOM 0 HB3 LYS A 10 -21.870 -3.312 13.340 1.00 23.11 H new ATOM 0 HG2 LYS A 10 -19.662 -3.037 15.412 1.00 13.31 H new ATOM 0 HG3 LYS A 10 -20.692 -4.442 15.228 1.00 13.31 H new ATOM 0 HD2 LYS A 10 -18.886 -3.329 13.043 1.00 43.30 H new ATOM 0 HD3 LYS A 10 -18.468 -4.671 14.089 1.00 43.30 H new ATOM 0 HE2 LYS A 10 -20.758 -4.558 12.090 1.00 0.51 H new ATOM 0 HE3 LYS A 10 -19.313 -5.543 11.979 1.00 0.51 H new ATOM 0 HZ1 LYS A 10 -20.823 -7.030 12.804 1.00 34.32 H new ATOM 0 HZ2 LYS A 10 -20.148 -6.466 14.256 1.00 34.32 H new ATOM 0 HZ3 LYS A 10 -21.652 -5.876 13.733 1.00 34.32 H new ATOM 136 N THR A 11 -20.628 -1.671 11.031 1.00 34.14 N ATOM 137 CA THR A 11 -21.084 -1.565 9.651 1.00 33.15 C ATOM 138 C THR A 11 -21.538 -2.918 9.116 1.00 12.52 C ATOM 139 O THR A 11 -22.697 -3.091 8.740 1.00 40.14 O ATOM 140 CB THR A 11 -19.978 -1.008 8.735 1.00 53.01 C ATOM 141 OG1 THR A 11 -19.192 -0.045 9.446 1.00 43.11 O ATOM 142 CG2 THR A 11 -20.576 -0.366 7.492 1.00 61.34 C ATOM 0 H THR A 11 -19.690 -2.057 11.136 1.00 34.14 H new ATOM 0 HA THR A 11 -21.928 -0.875 9.650 1.00 33.15 H new ATOM 0 HB THR A 11 -19.342 -1.837 8.425 1.00 53.01 H new ATOM 0 HG1 THR A 11 -18.680 -0.496 10.149 1.00 43.11 H new ATOM 0 HG21 THR A 11 -19.775 0.020 6.861 1.00 61.34 H new ATOM 0 HG22 THR A 11 -21.148 -1.110 6.938 1.00 61.34 H new ATOM 0 HG23 THR A 11 -21.233 0.453 7.786 1.00 61.34 H new ATOM 150 N SER A 12 -20.617 -3.876 9.084 1.00 75.43 N ATOM 151 CA SER A 12 -20.922 -5.215 8.593 1.00 13.32 C ATOM 152 C SER A 12 -19.704 -6.126 8.705 1.00 33.11 C ATOM 153 O SER A 12 -18.602 -5.761 8.295 1.00 32.30 O ATOM 154 CB SER A 12 -21.393 -5.151 7.138 1.00 22.50 C ATOM 155 OG SER A 12 -20.961 -6.289 6.412 1.00 4.31 O ATOM 0 H SER A 12 -19.653 -3.750 9.392 1.00 75.43 H new ATOM 0 HA SER A 12 -21.720 -5.628 9.209 1.00 13.32 H new ATOM 0 HB2 SER A 12 -22.481 -5.087 7.107 1.00 22.50 H new ATOM 0 HB3 SER A 12 -21.007 -4.247 6.667 1.00 22.50 H new ATOM 0 HG SER A 12 -21.276 -6.225 5.486 1.00 4.31 H new ATOM 161 N ASP A 13 -19.911 -7.313 9.264 1.00 12.34 N ATOM 162 CA ASP A 13 -18.831 -8.279 9.429 1.00 75.04 C ATOM 163 C ASP A 13 -19.117 -9.555 8.643 1.00 74.53 C ATOM 164 O ASP A 13 -20.181 -10.157 8.784 1.00 1.54 O ATOM 165 CB ASP A 13 -18.638 -8.610 10.910 1.00 34.44 C ATOM 166 CG ASP A 13 -19.865 -9.253 11.525 1.00 34.04 C ATOM 167 OD1 ASP A 13 -20.960 -8.658 11.427 1.00 15.10 O ATOM 168 OD2 ASP A 13 -19.732 -10.352 12.103 1.00 4.45 O ATOM 0 H ASP A 13 -20.817 -7.630 9.611 1.00 12.34 H new ATOM 0 HA ASP A 13 -17.915 -7.833 9.041 1.00 75.04 H new ATOM 0 HB2 ASP A 13 -17.786 -9.281 11.021 1.00 34.44 H new ATOM 0 HB3 ASP A 13 -18.398 -7.697 11.455 1.00 34.44 H new ATOM 173 N TRP A 14 -18.159 -9.960 7.816 1.00 64.42 N ATOM 174 CA TRP A 14 -18.309 -11.165 7.007 1.00 3.31 C ATOM 175 C TRP A 14 -17.360 -12.260 7.478 1.00 52.13 C ATOM 176 O TRP A 14 -16.238 -12.377 6.985 1.00 64.34 O ATOM 177 CB TRP A 14 -18.051 -10.847 5.533 1.00 32.44 C ATOM 178 CG TRP A 14 -16.801 -10.052 5.307 1.00 2.13 C ATOM 179 CD1 TRP A 14 -15.588 -10.529 4.897 1.00 64.42 C ATOM 180 CD2 TRP A 14 -16.641 -8.640 5.479 1.00 23.11 C ATOM 181 NE1 TRP A 14 -14.685 -9.498 4.805 1.00 30.41 N ATOM 182 CE2 TRP A 14 -15.306 -8.329 5.155 1.00 41.10 C ATOM 183 CE3 TRP A 14 -17.497 -7.607 5.873 1.00 20.14 C ATOM 184 CZ2 TRP A 14 -14.810 -7.029 5.216 1.00 71.02 C ATOM 185 CZ3 TRP A 14 -17.002 -6.318 5.932 1.00 63.31 C ATOM 186 CH2 TRP A 14 -15.669 -6.038 5.605 1.00 3.42 C ATOM 0 H TRP A 14 -17.272 -9.473 7.688 1.00 64.42 H new ATOM 0 HA TRP A 14 -19.331 -11.525 7.121 1.00 3.31 H new ATOM 0 HB2 TRP A 14 -17.986 -11.780 4.973 1.00 32.44 H new ATOM 0 HB3 TRP A 14 -18.902 -10.295 5.134 1.00 32.44 H new ATOM 0 HD1 TRP A 14 -15.371 -11.564 4.678 1.00 64.42 H new ATOM 0 HE1 TRP A 14 -13.709 -9.589 4.522 1.00 30.41 H new ATOM 0 HE3 TRP A 14 -18.526 -7.813 6.127 1.00 20.14 H new ATOM 0 HZ2 TRP A 14 -13.783 -6.811 4.965 1.00 71.02 H new ATOM 0 HZ3 TRP A 14 -17.654 -5.513 6.236 1.00 63.31 H new ATOM 0 HH2 TRP A 14 -15.313 -5.020 5.661 1.00 3.42 H new ATOM 197 N GLY A 15 -17.815 -13.060 8.438 1.00 5.32 N ATOM 198 CA GLY A 15 -16.992 -14.135 8.959 1.00 73.24 C ATOM 199 C GLY A 15 -15.883 -13.630 9.862 1.00 33.45 C ATOM 200 O GLY A 15 -16.082 -13.454 11.064 1.00 70.23 O ATOM 0 H GLY A 15 -18.739 -12.982 8.864 1.00 5.32 H new ATOM 0 HA2 GLY A 15 -17.619 -14.833 9.514 1.00 73.24 H new ATOM 0 HA3 GLY A 15 -16.556 -14.690 8.128 1.00 73.24 H new ATOM 204 N THR A 16 -14.710 -13.400 9.282 1.00 40.51 N ATOM 205 CA THR A 16 -13.564 -12.916 10.042 1.00 4.32 C ATOM 206 C THR A 16 -13.376 -11.414 9.857 1.00 0.12 C ATOM 207 O THR A 16 -12.689 -10.762 10.643 1.00 22.34 O ATOM 208 CB THR A 16 -12.268 -13.638 9.627 1.00 31.13 C ATOM 209 OG1 THR A 16 -11.178 -13.197 10.443 1.00 43.11 O ATOM 210 CG2 THR A 16 -11.950 -13.379 8.161 1.00 73.44 C ATOM 0 H THR A 16 -14.528 -13.541 8.288 1.00 40.51 H new ATOM 0 HA THR A 16 -13.769 -13.128 11.091 1.00 4.32 H new ATOM 0 HB THR A 16 -12.414 -14.709 9.767 1.00 31.13 H new ATOM 0 HG1 THR A 16 -10.359 -13.662 10.173 1.00 43.11 H new ATOM 0 HG21 THR A 16 -11.031 -13.899 7.891 1.00 73.44 H new ATOM 0 HG22 THR A 16 -12.769 -13.744 7.541 1.00 73.44 H new ATOM 0 HG23 THR A 16 -11.822 -12.309 8.000 1.00 73.44 H new ATOM 218 N GLY A 17 -13.992 -10.869 8.812 1.00 52.20 N ATOM 219 CA GLY A 17 -13.881 -9.447 8.543 1.00 34.12 C ATOM 220 C GLY A 17 -14.947 -8.638 9.253 1.00 44.14 C ATOM 221 O GLY A 17 -16.060 -9.118 9.470 1.00 5.03 O ATOM 0 H GLY A 17 -14.566 -11.387 8.147 1.00 52.20 H new ATOM 0 HA2 GLY A 17 -12.897 -9.097 8.854 1.00 34.12 H new ATOM 0 HA3 GLY A 17 -13.955 -9.277 7.469 1.00 34.12 H new ATOM 225 N PHE A 18 -14.608 -7.407 9.619 1.00 44.32 N ATOM 226 CA PHE A 18 -15.545 -6.528 10.311 1.00 34.24 C ATOM 227 C PHE A 18 -15.462 -5.106 9.764 1.00 23.31 C ATOM 228 O PHE A 18 -14.387 -4.627 9.410 1.00 53.25 O ATOM 229 CB PHE A 18 -15.258 -6.527 11.814 1.00 24.03 C ATOM 230 CG PHE A 18 -14.122 -5.626 12.206 1.00 55.01 C ATOM 231 CD1 PHE A 18 -12.822 -6.105 12.243 1.00 53.34 C ATOM 232 CD2 PHE A 18 -14.354 -4.302 12.540 1.00 44.51 C ATOM 233 CE1 PHE A 18 -11.774 -5.279 12.604 1.00 0.25 C ATOM 234 CE2 PHE A 18 -13.310 -3.471 12.901 1.00 40.25 C ATOM 235 CZ PHE A 18 -12.018 -3.960 12.933 1.00 70.40 C ATOM 0 H PHE A 18 -13.691 -6.994 9.448 1.00 44.32 H new ATOM 0 HA PHE A 18 -16.553 -6.905 10.140 1.00 34.24 H new ATOM 0 HB2 PHE A 18 -16.157 -6.218 12.347 1.00 24.03 H new ATOM 0 HB3 PHE A 18 -15.031 -7.544 12.133 1.00 24.03 H new ATOM 0 HD1 PHE A 18 -12.625 -7.136 11.987 1.00 53.34 H new ATOM 0 HD2 PHE A 18 -15.362 -3.915 12.518 1.00 44.51 H new ATOM 0 HE1 PHE A 18 -10.766 -5.665 12.629 1.00 0.25 H new ATOM 0 HE2 PHE A 18 -13.504 -2.440 13.158 1.00 40.25 H new ATOM 0 HZ PHE A 18 -11.201 -3.312 13.215 1.00 70.40 H new ATOM 245 N GLY A 19 -16.610 -4.437 9.698 1.00 73.02 N ATOM 246 CA GLY A 19 -16.647 -3.077 9.193 1.00 25.13 C ATOM 247 C GLY A 19 -16.795 -2.052 10.299 1.00 64.32 C ATOM 248 O GLY A 19 -17.855 -1.942 10.915 1.00 60.25 O ATOM 0 H GLY A 19 -17.514 -4.813 9.985 1.00 73.02 H new ATOM 0 HA2 GLY A 19 -15.733 -2.875 8.635 1.00 25.13 H new ATOM 0 HA3 GLY A 19 -17.477 -2.975 8.494 1.00 25.13 H new ATOM 252 N GLY A 20 -15.729 -1.299 10.554 1.00 1.11 N ATOM 253 CA GLY A 20 -15.766 -0.289 11.595 1.00 42.42 C ATOM 254 C GLY A 20 -16.454 0.984 11.144 1.00 14.51 C ATOM 255 O GLY A 20 -16.262 1.435 10.014 1.00 15.33 O ATOM 0 H GLY A 20 -14.841 -1.371 10.058 1.00 1.11 H new ATOM 0 HA2 GLY A 20 -16.284 -0.689 12.467 1.00 42.42 H new ATOM 0 HA3 GLY A 20 -14.748 -0.057 11.908 1.00 42.42 H new ATOM 259 N SER A 21 -17.258 1.566 12.027 1.00 40.42 N ATOM 260 CA SER A 21 -17.982 2.793 11.711 1.00 14.10 C ATOM 261 C SER A 21 -17.913 3.778 12.874 1.00 1.02 C ATOM 262 O SER A 21 -18.709 3.705 13.811 1.00 1.40 O ATOM 263 CB SER A 21 -19.441 2.478 11.378 1.00 22.31 C ATOM 264 OG SER A 21 -19.713 2.707 10.007 1.00 2.32 O ATOM 0 H SER A 21 -17.425 1.208 12.967 1.00 40.42 H new ATOM 0 HA SER A 21 -17.511 3.251 10.842 1.00 14.10 H new ATOM 0 HB2 SER A 21 -19.657 1.439 11.626 1.00 22.31 H new ATOM 0 HB3 SER A 21 -20.098 3.095 11.990 1.00 22.31 H new ATOM 0 HG SER A 21 -19.606 1.870 9.508 1.00 2.32 H new ATOM 270 N TRP A 22 -16.959 4.698 12.806 1.00 0.42 N ATOM 271 CA TRP A 22 -16.786 5.700 13.852 1.00 22.34 C ATOM 272 C TRP A 22 -17.607 6.949 13.551 1.00 12.21 C ATOM 273 O TRP A 22 -17.768 7.335 12.393 1.00 53.01 O ATOM 274 CB TRP A 22 -15.309 6.067 13.996 1.00 52.44 C ATOM 275 CG TRP A 22 -14.462 4.938 14.501 1.00 14.54 C ATOM 276 CD1 TRP A 22 -13.691 4.094 13.753 1.00 4.51 C ATOM 277 CD2 TRP A 22 -14.302 4.528 15.863 1.00 5.32 C ATOM 278 NE1 TRP A 22 -13.062 3.185 14.569 1.00 2.45 N ATOM 279 CE2 TRP A 22 -13.420 3.431 15.867 1.00 21.42 C ATOM 280 CE3 TRP A 22 -14.817 4.984 17.080 1.00 1.04 C ATOM 281 CZ2 TRP A 22 -13.044 2.782 17.041 1.00 42.40 C ATOM 282 CZ3 TRP A 22 -14.443 4.339 18.244 1.00 44.20 C ATOM 283 CH2 TRP A 22 -13.563 3.249 18.218 1.00 2.43 C ATOM 0 H TRP A 22 -16.293 4.772 12.037 1.00 0.42 H new ATOM 0 HA TRP A 22 -17.140 5.274 14.791 1.00 22.34 H new ATOM 0 HB2 TRP A 22 -14.927 6.393 13.029 1.00 52.44 H new ATOM 0 HB3 TRP A 22 -15.217 6.913 14.677 1.00 52.44 H new ATOM 0 HD1 TRP A 22 -13.591 4.135 12.678 1.00 4.51 H new ATOM 0 HE1 TRP A 22 -12.431 2.447 14.258 1.00 2.45 H new ATOM 0 HE3 TRP A 22 -15.494 5.825 17.110 1.00 1.04 H new ATOM 0 HZ2 TRP A 22 -12.367 1.941 17.023 1.00 42.40 H new ATOM 0 HZ3 TRP A 22 -14.836 4.681 19.190 1.00 44.20 H new ATOM 0 HH2 TRP A 22 -13.289 2.768 19.145 1.00 2.43 H new ATOM 294 N THR A 23 -18.125 7.578 14.601 1.00 5.04 N ATOM 295 CA THR A 23 -18.931 8.784 14.449 1.00 15.55 C ATOM 296 C THR A 23 -18.233 9.991 15.064 1.00 45.23 C ATOM 297 O THR A 23 -17.872 9.980 16.241 1.00 11.34 O ATOM 298 CB THR A 23 -20.318 8.619 15.098 1.00 54.21 C ATOM 299 OG1 THR A 23 -20.896 7.368 14.708 1.00 72.12 O ATOM 300 CG2 THR A 23 -21.242 9.758 14.696 1.00 1.32 C ATOM 0 H THR A 23 -18.001 7.273 15.566 1.00 5.04 H new ATOM 0 HA THR A 23 -19.058 8.948 13.379 1.00 15.55 H new ATOM 0 HB THR A 23 -20.193 8.639 16.181 1.00 54.21 H new ATOM 0 HG1 THR A 23 -21.777 7.270 15.126 1.00 72.12 H new ATOM 0 HG21 THR A 23 -22.216 9.620 15.166 1.00 1.32 H new ATOM 0 HG22 THR A 23 -20.813 10.706 15.021 1.00 1.32 H new ATOM 0 HG23 THR A 23 -21.360 9.765 13.612 1.00 1.32 H new ATOM 308 N VAL A 24 -18.049 11.035 14.262 1.00 52.33 N ATOM 309 CA VAL A 24 -17.396 12.252 14.729 1.00 41.50 C ATOM 310 C VAL A 24 -18.354 13.438 14.693 1.00 42.21 C ATOM 311 O VAL A 24 -19.031 13.673 13.691 1.00 54.44 O ATOM 312 CB VAL A 24 -16.155 12.585 13.880 1.00 73.42 C ATOM 313 CG1 VAL A 24 -15.377 13.735 14.500 1.00 41.43 C ATOM 314 CG2 VAL A 24 -15.272 11.356 13.725 1.00 35.33 C ATOM 0 H VAL A 24 -18.343 11.062 13.286 1.00 52.33 H new ATOM 0 HA VAL A 24 -17.085 12.069 15.758 1.00 41.50 H new ATOM 0 HB VAL A 24 -16.486 12.895 12.889 1.00 73.42 H new ATOM 0 HG11 VAL A 24 -14.504 13.956 13.886 1.00 41.43 H new ATOM 0 HG12 VAL A 24 -16.014 14.617 14.555 1.00 41.43 H new ATOM 0 HG13 VAL A 24 -15.054 13.457 15.503 1.00 41.43 H new ATOM 0 HG21 VAL A 24 -14.399 11.609 13.122 1.00 35.33 H new ATOM 0 HG22 VAL A 24 -14.948 11.015 14.708 1.00 35.33 H new ATOM 0 HG23 VAL A 24 -15.835 10.563 13.233 1.00 35.33 H new ATOM 324 N LYS A 25 -18.408 14.182 15.792 1.00 43.12 N ATOM 325 CA LYS A 25 -19.282 15.345 15.888 1.00 42.43 C ATOM 326 C LYS A 25 -18.610 16.467 16.674 1.00 24.24 C ATOM 327 O LYS A 25 -18.293 16.308 17.853 1.00 5.42 O ATOM 328 CB LYS A 25 -20.604 14.962 16.555 1.00 20.43 C ATOM 329 CG LYS A 25 -21.538 16.139 16.779 1.00 12.42 C ATOM 330 CD LYS A 25 -22.975 15.784 16.438 1.00 63.41 C ATOM 331 CE LYS A 25 -23.750 15.351 17.673 1.00 11.13 C ATOM 332 NZ LYS A 25 -25.192 15.709 17.576 1.00 73.33 N ATOM 0 H LYS A 25 -17.856 14.000 16.630 1.00 43.12 H new ATOM 0 HA LYS A 25 -19.482 15.702 14.878 1.00 42.43 H new ATOM 0 HB2 LYS A 25 -21.111 14.220 15.938 1.00 20.43 H new ATOM 0 HB3 LYS A 25 -20.393 14.489 17.514 1.00 20.43 H new ATOM 0 HG2 LYS A 25 -21.478 16.459 17.819 1.00 12.42 H new ATOM 0 HG3 LYS A 25 -21.216 16.982 16.167 1.00 12.42 H new ATOM 0 HD2 LYS A 25 -23.465 16.644 15.983 1.00 63.41 H new ATOM 0 HD3 LYS A 25 -22.987 14.982 15.700 1.00 63.41 H new ATOM 0 HE2 LYS A 25 -23.651 14.273 17.805 1.00 11.13 H new ATOM 0 HE3 LYS A 25 -23.318 15.821 18.556 1.00 11.13 H new ATOM 0 HZ1 LYS A 25 -25.686 15.397 18.437 1.00 73.33 H new ATOM 0 HZ2 LYS A 25 -25.288 16.740 17.476 1.00 73.33 H new ATOM 0 HZ3 LYS A 25 -25.611 15.240 16.748 1.00 73.33 H new ATOM 346 N ASN A 26 -18.398 17.601 16.014 1.00 32.41 N ATOM 347 CA ASN A 26 -17.766 18.750 16.653 1.00 35.32 C ATOM 348 C ASN A 26 -18.760 19.894 16.821 1.00 62.41 C ATOM 349 O ASN A 26 -19.054 20.622 15.872 1.00 12.41 O ATOM 350 CB ASN A 26 -16.565 19.219 15.830 1.00 2.40 C ATOM 351 CG ASN A 26 -15.811 18.065 15.196 1.00 40.01 C ATOM 352 OD1 ASN A 26 -15.720 17.966 13.973 1.00 43.44 O ATOM 353 ND2 ASN A 26 -15.268 17.185 16.029 1.00 54.32 N ATOM 0 H ASN A 26 -18.654 17.749 15.038 1.00 32.41 H new ATOM 0 HA ASN A 26 -17.424 18.443 17.641 1.00 35.32 H new ATOM 0 HB2 ASN A 26 -16.906 19.899 15.049 1.00 2.40 H new ATOM 0 HB3 ASN A 26 -15.888 19.784 16.471 1.00 2.40 H new ATOM 0 HD21 ASN A 26 -14.750 16.387 15.661 1.00 54.32 H new ATOM 0 HD22 ASN A 26 -15.369 17.307 17.037 1.00 54.32 H new ATOM 360 N THR A 27 -19.275 20.050 18.037 1.00 25.15 N ATOM 361 CA THR A 27 -20.238 21.104 18.330 1.00 41.54 C ATOM 362 C THR A 27 -20.062 21.629 19.751 1.00 4.44 C ATOM 363 O THR A 27 -19.930 20.853 20.697 1.00 1.12 O ATOM 364 CB THR A 27 -21.685 20.611 18.152 1.00 24.11 C ATOM 365 OG1 THR A 27 -21.914 19.460 18.972 1.00 21.31 O ATOM 366 CG2 THR A 27 -21.965 20.266 16.697 1.00 42.43 C ATOM 0 H THR A 27 -19.041 19.459 18.835 1.00 25.15 H new ATOM 0 HA THR A 27 -20.049 21.910 17.621 1.00 41.54 H new ATOM 0 HB THR A 27 -22.358 21.413 18.455 1.00 24.11 H new ATOM 0 HG1 THR A 27 -22.837 19.153 18.855 1.00 21.31 H new ATOM 0 HG21 THR A 27 -22.994 19.920 16.597 1.00 42.43 H new ATOM 0 HG22 THR A 27 -21.818 21.151 16.078 1.00 42.43 H new ATOM 0 HG23 THR A 27 -21.284 19.479 16.372 1.00 42.43 H new ATOM 374 N GLY A 28 -20.063 22.950 19.894 1.00 44.32 N ATOM 375 CA GLY A 28 -19.903 23.555 21.203 1.00 62.54 C ATOM 376 C GLY A 28 -18.574 24.269 21.355 1.00 24.54 C ATOM 377 O GLY A 28 -18.532 25.463 21.653 1.00 12.24 O ATOM 0 H GLY A 28 -20.172 23.613 19.126 1.00 44.32 H new ATOM 0 HA2 GLY A 28 -20.714 24.263 21.374 1.00 62.54 H new ATOM 0 HA3 GLY A 28 -19.987 22.784 21.969 1.00 62.54 H new ATOM 381 N THR A 29 -17.485 23.535 21.152 1.00 52.00 N ATOM 382 CA THR A 29 -16.148 24.103 21.271 1.00 65.02 C ATOM 383 C THR A 29 -15.924 25.202 20.238 1.00 22.22 C ATOM 384 O THR A 29 -16.715 25.366 19.308 1.00 73.32 O ATOM 385 CB THR A 29 -15.062 23.025 21.100 1.00 34.23 C ATOM 386 OG1 THR A 29 -15.544 21.972 20.259 1.00 0.32 O ATOM 387 CG2 THR A 29 -14.649 22.454 22.448 1.00 71.54 C ATOM 0 H THR A 29 -17.503 22.546 20.904 1.00 52.00 H new ATOM 0 HA THR A 29 -16.073 24.528 22.272 1.00 65.02 H new ATOM 0 HB THR A 29 -14.191 23.489 20.637 1.00 34.23 H new ATOM 0 HG1 THR A 29 -14.846 21.292 20.154 1.00 0.32 H new ATOM 0 HG21 THR A 29 -13.881 21.695 22.302 1.00 71.54 H new ATOM 0 HG22 THR A 29 -14.254 23.253 23.076 1.00 71.54 H new ATOM 0 HG23 THR A 29 -15.515 22.005 22.934 1.00 71.54 H new ATOM 395 N THR A 30 -14.840 25.953 20.405 1.00 70.13 N ATOM 396 CA THR A 30 -14.512 27.037 19.488 1.00 62.30 C ATOM 397 C THR A 30 -14.245 26.507 18.084 1.00 34.00 C ATOM 398 O THR A 30 -14.412 25.316 17.817 1.00 64.24 O ATOM 399 CB THR A 30 -13.281 27.828 19.969 1.00 31.02 C ATOM 400 OG1 THR A 30 -12.105 27.017 19.860 1.00 61.10 O ATOM 401 CG2 THR A 30 -13.458 28.282 21.410 1.00 22.24 C ATOM 0 H THR A 30 -14.174 25.830 21.168 1.00 70.13 H new ATOM 0 HA THR A 30 -15.375 27.703 19.464 1.00 62.30 H new ATOM 0 HB THR A 30 -13.174 28.710 19.338 1.00 31.02 H new ATOM 0 HG1 THR A 30 -11.326 27.527 20.166 1.00 61.10 H new ATOM 0 HG21 THR A 30 -12.576 28.838 21.727 1.00 22.24 H new ATOM 0 HG22 THR A 30 -14.337 28.922 21.484 1.00 22.24 H new ATOM 0 HG23 THR A 30 -13.588 27.411 22.052 1.00 22.24 H new ATOM 409 N SER A 31 -13.827 27.397 17.189 1.00 64.44 N ATOM 410 CA SER A 31 -13.539 27.018 15.811 1.00 45.10 C ATOM 411 C SER A 31 -12.593 25.823 15.763 1.00 50.44 C ATOM 412 O SER A 31 -11.511 25.849 16.351 1.00 21.53 O ATOM 413 CB SER A 31 -12.929 28.198 15.053 1.00 40.53 C ATOM 414 OG SER A 31 -12.030 28.924 15.875 1.00 21.04 O ATOM 0 H SER A 31 -13.680 28.385 17.394 1.00 64.44 H new ATOM 0 HA SER A 31 -14.477 26.735 15.334 1.00 45.10 H new ATOM 0 HB2 SER A 31 -12.405 27.834 14.169 1.00 40.53 H new ATOM 0 HB3 SER A 31 -13.722 28.859 14.704 1.00 40.53 H new ATOM 0 HG SER A 31 -11.653 29.672 15.366 1.00 21.04 H new ATOM 420 N LEU A 32 -13.007 24.776 15.057 1.00 43.22 N ATOM 421 CA LEU A 32 -12.198 23.570 14.931 1.00 34.05 C ATOM 422 C LEU A 32 -11.303 23.641 13.697 1.00 41.14 C ATOM 423 O LEU A 32 -11.276 24.652 12.995 1.00 71.25 O ATOM 424 CB LEU A 32 -13.096 22.334 14.853 1.00 43.11 C ATOM 425 CG LEU A 32 -12.959 21.331 15.999 1.00 55.32 C ATOM 426 CD1 LEU A 32 -13.845 21.732 17.169 1.00 53.42 C ATOM 427 CD2 LEU A 32 -13.304 19.928 15.524 1.00 34.32 C ATOM 0 H LEU A 32 -13.899 24.739 14.563 1.00 43.22 H new ATOM 0 HA LEU A 32 -11.563 23.495 15.814 1.00 34.05 H new ATOM 0 HB2 LEU A 32 -14.133 22.666 14.809 1.00 43.11 H new ATOM 0 HB3 LEU A 32 -12.887 21.816 13.917 1.00 43.11 H new ATOM 0 HG LEU A 32 -11.923 21.334 16.337 1.00 55.32 H new ATOM 0 HD11 LEU A 32 -13.734 21.006 17.975 1.00 53.42 H new ATOM 0 HD12 LEU A 32 -13.551 22.719 17.526 1.00 53.42 H new ATOM 0 HD13 LEU A 32 -14.885 21.758 16.845 1.00 53.42 H new ATOM 0 HD21 LEU A 32 -13.201 19.228 16.353 1.00 34.32 H new ATOM 0 HD22 LEU A 32 -14.331 19.910 15.159 1.00 34.32 H new ATOM 0 HD23 LEU A 32 -12.628 19.640 14.719 1.00 34.32 H new ATOM 439 N SER A 33 -10.575 22.560 13.437 1.00 32.30 N ATOM 440 CA SER A 33 -9.678 22.500 12.288 1.00 44.14 C ATOM 441 C SER A 33 -9.690 21.109 11.663 1.00 32.21 C ATOM 442 O SER A 33 -9.906 20.959 10.461 1.00 25.03 O ATOM 443 CB SER A 33 -8.254 22.872 12.706 1.00 45.23 C ATOM 444 OG SER A 33 -7.996 24.247 12.469 1.00 35.54 O ATOM 0 H SER A 33 -10.588 21.714 14.006 1.00 32.30 H new ATOM 0 HA SER A 33 -10.029 23.216 11.545 1.00 44.14 H new ATOM 0 HB2 SER A 33 -8.112 22.649 13.763 1.00 45.23 H new ATOM 0 HB3 SER A 33 -7.538 22.264 12.153 1.00 45.23 H new ATOM 0 HG SER A 33 -7.900 24.401 11.506 1.00 35.54 H new ATOM 450 N SER A 34 -9.454 20.093 12.488 1.00 42.53 N ATOM 451 CA SER A 34 -9.433 18.715 12.016 1.00 34.13 C ATOM 452 C SER A 34 -9.763 17.747 13.149 1.00 24.11 C ATOM 453 O SER A 34 -9.605 18.075 14.325 1.00 55.34 O ATOM 454 CB SER A 34 -8.063 18.376 11.426 1.00 10.42 C ATOM 455 OG SER A 34 -7.028 19.057 12.114 1.00 44.12 O ATOM 0 H SER A 34 -9.275 20.200 13.486 1.00 42.53 H new ATOM 0 HA SER A 34 -10.191 18.612 11.240 1.00 34.13 H new ATOM 0 HB2 SER A 34 -7.895 17.300 11.483 1.00 10.42 H new ATOM 0 HB3 SER A 34 -8.041 18.647 10.370 1.00 10.42 H new ATOM 0 HG SER A 34 -6.163 18.822 11.719 1.00 44.12 H new ATOM 461 N TRP A 35 -10.224 16.556 12.786 1.00 72.13 N ATOM 462 CA TRP A 35 -10.578 15.540 13.772 1.00 11.42 C ATOM 463 C TRP A 35 -9.650 14.335 13.668 1.00 52.21 C ATOM 464 O TRP A 35 -9.479 13.760 12.593 1.00 25.22 O ATOM 465 CB TRP A 35 -12.030 15.100 13.581 1.00 34.55 C ATOM 466 CG TRP A 35 -12.384 14.823 12.151 1.00 50.01 C ATOM 467 CD1 TRP A 35 -12.783 15.733 11.215 1.00 42.01 C ATOM 468 CD2 TRP A 35 -12.372 13.550 11.496 1.00 64.34 C ATOM 469 NE1 TRP A 35 -13.021 15.103 10.018 1.00 41.41 N ATOM 470 CE2 TRP A 35 -12.776 13.763 10.164 1.00 1.51 C ATOM 471 CE3 TRP A 35 -12.060 12.251 11.905 1.00 22.41 C ATOM 472 CZ2 TRP A 35 -12.874 12.726 9.241 1.00 5.43 C ATOM 473 CZ3 TRP A 35 -12.158 11.222 10.988 1.00 44.11 C ATOM 474 CH2 TRP A 35 -12.562 11.464 9.668 1.00 74.44 C ATOM 0 H TRP A 35 -10.362 16.269 11.817 1.00 72.13 H new ATOM 0 HA TRP A 35 -10.466 15.976 14.765 1.00 11.42 H new ATOM 0 HB2 TRP A 35 -12.211 14.203 14.173 1.00 34.55 H new ATOM 0 HB3 TRP A 35 -12.691 15.876 13.968 1.00 34.55 H new ATOM 0 HD1 TRP A 35 -12.895 16.793 11.390 1.00 42.01 H new ATOM 0 HE1 TRP A 35 -13.330 15.559 9.159 1.00 41.41 H new ATOM 0 HE3 TRP A 35 -11.748 12.055 12.920 1.00 22.41 H new ATOM 0 HZ2 TRP A 35 -13.185 12.911 8.224 1.00 5.43 H new ATOM 0 HZ3 TRP A 35 -11.919 10.214 11.294 1.00 44.11 H new ATOM 0 HH2 TRP A 35 -12.628 10.639 8.975 1.00 74.44 H new ATOM 485 N THR A 36 -9.050 13.957 14.793 1.00 22.13 N ATOM 486 CA THR A 36 -8.138 12.820 14.828 1.00 4.21 C ATOM 487 C THR A 36 -8.534 11.831 15.918 1.00 41.25 C ATOM 488 O THR A 36 -8.245 12.043 17.096 1.00 21.20 O ATOM 489 CB THR A 36 -6.685 13.273 15.063 1.00 62.02 C ATOM 490 OG1 THR A 36 -6.494 14.596 14.549 1.00 2.44 O ATOM 491 CG2 THR A 36 -5.706 12.319 14.398 1.00 33.15 C ATOM 0 H THR A 36 -9.179 14.422 15.692 1.00 22.13 H new ATOM 0 HA THR A 36 -8.205 12.330 13.856 1.00 4.21 H new ATOM 0 HB THR A 36 -6.497 13.271 16.137 1.00 62.02 H new ATOM 0 HG1 THR A 36 -5.568 14.877 14.704 1.00 2.44 H new ATOM 0 HG21 THR A 36 -4.686 12.660 14.578 1.00 33.15 H new ATOM 0 HG22 THR A 36 -5.833 11.319 14.813 1.00 33.15 H new ATOM 0 HG23 THR A 36 -5.896 12.293 13.325 1.00 33.15 H new ATOM 499 N VAL A 37 -9.195 10.750 15.519 1.00 13.24 N ATOM 500 CA VAL A 37 -9.629 9.727 16.463 1.00 3.42 C ATOM 501 C VAL A 37 -8.697 8.521 16.432 1.00 22.21 C ATOM 502 O VAL A 37 -8.524 7.884 15.393 1.00 12.21 O ATOM 503 CB VAL A 37 -11.066 9.260 16.163 1.00 11.33 C ATOM 504 CG1 VAL A 37 -11.179 8.766 14.729 1.00 51.24 C ATOM 505 CG2 VAL A 37 -11.488 8.176 17.144 1.00 4.12 C ATOM 0 H VAL A 37 -9.442 10.560 14.548 1.00 13.24 H new ATOM 0 HA VAL A 37 -9.602 10.178 17.455 1.00 3.42 H new ATOM 0 HB VAL A 37 -11.739 10.109 16.283 1.00 11.33 H new ATOM 0 HG11 VAL A 37 -12.201 8.440 14.536 1.00 51.24 H new ATOM 0 HG12 VAL A 37 -10.920 9.574 14.044 1.00 51.24 H new ATOM 0 HG13 VAL A 37 -10.497 7.929 14.578 1.00 51.24 H new ATOM 0 HG21 VAL A 37 -12.506 7.857 16.918 1.00 4.12 H new ATOM 0 HG22 VAL A 37 -10.813 7.324 17.058 1.00 4.12 H new ATOM 0 HG23 VAL A 37 -11.448 8.569 18.160 1.00 4.12 H new ATOM 515 N GLU A 38 -8.100 8.212 17.578 1.00 74.31 N ATOM 516 CA GLU A 38 -7.184 7.081 17.682 1.00 45.33 C ATOM 517 C GLU A 38 -7.573 6.171 18.844 1.00 10.30 C ATOM 518 O GLU A 38 -8.226 6.604 19.793 1.00 42.24 O ATOM 519 CB GLU A 38 -5.747 7.574 17.864 1.00 62.35 C ATOM 520 CG GLU A 38 -5.614 8.697 18.880 1.00 33.45 C ATOM 521 CD GLU A 38 -5.911 10.060 18.286 1.00 23.02 C ATOM 522 OE1 GLU A 38 -5.447 10.328 17.158 1.00 54.25 O ATOM 523 OE2 GLU A 38 -6.606 10.858 18.948 1.00 22.44 O ATOM 0 H GLU A 38 -8.234 8.728 18.448 1.00 74.31 H new ATOM 0 HA GLU A 38 -7.249 6.508 16.757 1.00 45.33 H new ATOM 0 HB2 GLU A 38 -5.121 6.738 18.175 1.00 62.35 H new ATOM 0 HB3 GLU A 38 -5.365 7.918 16.903 1.00 62.35 H new ATOM 0 HG2 GLU A 38 -6.294 8.512 19.712 1.00 33.45 H new ATOM 0 HG3 GLU A 38 -4.603 8.695 19.288 1.00 33.45 H new ATOM 530 N TRP A 39 -7.167 4.910 18.760 1.00 73.35 N ATOM 531 CA TRP A 39 -7.473 3.938 19.804 1.00 21.31 C ATOM 532 C TRP A 39 -6.420 2.836 19.847 1.00 61.32 C ATOM 533 O TRP A 39 -5.573 2.739 18.960 1.00 31.11 O ATOM 534 CB TRP A 39 -8.857 3.329 19.572 1.00 73.34 C ATOM 535 CG TRP A 39 -9.533 3.843 18.338 1.00 61.11 C ATOM 536 CD1 TRP A 39 -10.593 4.703 18.282 1.00 62.22 C ATOM 537 CD2 TRP A 39 -9.197 3.528 16.983 1.00 41.42 C ATOM 538 NE1 TRP A 39 -10.936 4.942 16.973 1.00 55.11 N ATOM 539 CE2 TRP A 39 -10.094 4.233 16.156 1.00 1.20 C ATOM 540 CE3 TRP A 39 -8.225 2.721 16.386 1.00 52.32 C ATOM 541 CZ2 TRP A 39 -10.046 4.153 14.767 1.00 24.55 C ATOM 542 CZ3 TRP A 39 -8.179 2.642 15.007 1.00 42.01 C ATOM 543 CH2 TRP A 39 -9.084 3.355 14.210 1.00 44.30 C ATOM 0 H TRP A 39 -6.625 4.536 17.981 1.00 73.35 H new ATOM 0 HA TRP A 39 -7.468 4.457 20.762 1.00 21.31 H new ATOM 0 HB2 TRP A 39 -8.762 2.245 19.501 1.00 73.34 H new ATOM 0 HB3 TRP A 39 -9.487 3.538 20.436 1.00 73.34 H new ATOM 0 HD1 TRP A 39 -11.089 5.132 19.140 1.00 62.22 H new ATOM 0 HE1 TRP A 39 -11.694 5.548 16.660 1.00 55.11 H new ATOM 0 HE3 TRP A 39 -7.522 2.169 16.992 1.00 52.32 H new ATOM 0 HZ2 TRP A 39 -10.743 4.701 14.151 1.00 24.55 H new ATOM 0 HZ3 TRP A 39 -7.433 2.020 14.536 1.00 42.01 H new ATOM 0 HH2 TRP A 39 -9.021 3.273 13.135 1.00 44.30 H new ATOM 554 N ASP A 40 -6.480 2.008 20.884 1.00 21.55 N ATOM 555 CA ASP A 40 -5.532 0.911 21.042 1.00 34.12 C ATOM 556 C ASP A 40 -6.130 -0.402 20.545 1.00 45.44 C ATOM 557 O ASP A 40 -7.252 -0.759 20.904 1.00 1.34 O ATOM 558 CB ASP A 40 -5.118 0.774 22.508 1.00 54.32 C ATOM 559 CG ASP A 40 -4.128 -0.354 22.727 1.00 3.11 C ATOM 560 OD1 ASP A 40 -3.068 -0.349 22.067 1.00 20.01 O ATOM 561 OD2 ASP A 40 -4.414 -1.242 23.557 1.00 23.34 O ATOM 0 H ASP A 40 -7.175 2.075 21.628 1.00 21.55 H new ATOM 0 HA ASP A 40 -4.650 1.137 20.442 1.00 34.12 H new ATOM 0 HB2 ASP A 40 -4.677 1.711 22.847 1.00 54.32 H new ATOM 0 HB3 ASP A 40 -6.004 0.599 23.118 1.00 54.32 H new ATOM 566 N PHE A 41 -5.375 -1.114 19.716 1.00 74.12 N ATOM 567 CA PHE A 41 -5.831 -2.386 19.168 1.00 12.42 C ATOM 568 C PHE A 41 -5.011 -3.545 19.726 1.00 0.02 C ATOM 569 O PHE A 41 -4.110 -4.073 19.072 1.00 44.13 O ATOM 570 CB PHE A 41 -5.738 -2.369 17.640 1.00 62.21 C ATOM 571 CG PHE A 41 -7.037 -2.030 16.964 1.00 71.32 C ATOM 572 CD1 PHE A 41 -8.194 -2.729 17.268 1.00 33.40 C ATOM 573 CD2 PHE A 41 -7.100 -1.014 16.025 1.00 32.10 C ATOM 574 CE1 PHE A 41 -9.390 -2.420 16.649 1.00 63.13 C ATOM 575 CE2 PHE A 41 -8.293 -0.700 15.403 1.00 71.05 C ATOM 576 CZ PHE A 41 -9.439 -1.405 15.714 1.00 3.21 C ATOM 0 H PHE A 41 -4.444 -0.832 19.409 1.00 74.12 H new ATOM 0 HA PHE A 41 -6.871 -2.527 19.461 1.00 12.42 H new ATOM 0 HB2 PHE A 41 -4.981 -1.645 17.338 1.00 62.21 H new ATOM 0 HB3 PHE A 41 -5.401 -3.346 17.293 1.00 62.21 H new ATOM 0 HD1 PHE A 41 -8.161 -3.525 17.997 1.00 33.40 H new ATOM 0 HD2 PHE A 41 -6.206 -0.461 15.776 1.00 32.10 H new ATOM 0 HE1 PHE A 41 -10.285 -2.971 16.896 1.00 63.13 H new ATOM 0 HE2 PHE A 41 -8.329 0.096 14.674 1.00 71.05 H new ATOM 0 HZ PHE A 41 -10.372 -1.163 15.227 1.00 3.21 H new ATOM 586 N PRO A 42 -5.327 -3.951 20.964 1.00 3.20 N ATOM 587 CA PRO A 42 -4.632 -5.051 21.639 1.00 12.50 C ATOM 588 C PRO A 42 -4.942 -6.405 21.010 1.00 51.44 C ATOM 589 O PRO A 42 -4.037 -7.186 20.712 1.00 10.20 O ATOM 590 CB PRO A 42 -5.173 -4.989 23.069 1.00 34.32 C ATOM 591 CG PRO A 42 -6.508 -4.341 22.941 1.00 21.54 C ATOM 592 CD PRO A 42 -6.388 -3.367 21.802 1.00 23.05 C ATOM 0 HA PRO A 42 -3.549 -4.949 21.574 1.00 12.50 H new ATOM 0 HB2 PRO A 42 -5.256 -5.985 23.504 1.00 34.32 H new ATOM 0 HB3 PRO A 42 -4.513 -4.412 23.717 1.00 34.32 H new ATOM 0 HG2 PRO A 42 -7.283 -5.081 22.742 1.00 21.54 H new ATOM 0 HG3 PRO A 42 -6.784 -3.830 23.864 1.00 21.54 H new ATOM 0 HD2 PRO A 42 -7.326 -3.272 21.254 1.00 23.05 H new ATOM 0 HD3 PRO A 42 -6.120 -2.370 22.152 1.00 23.05 H new ATOM 600 N THR A 43 -6.227 -6.679 20.809 1.00 62.24 N ATOM 601 CA THR A 43 -6.657 -7.938 20.216 1.00 20.35 C ATOM 602 C THR A 43 -6.351 -7.976 18.723 1.00 22.22 C ATOM 603 O THR A 43 -6.438 -6.960 18.037 1.00 12.23 O ATOM 604 CB THR A 43 -8.166 -8.173 20.426 1.00 73.21 C ATOM 605 OG1 THR A 43 -8.884 -6.951 20.218 1.00 32.44 O ATOM 606 CG2 THR A 43 -8.442 -8.697 21.826 1.00 31.41 C ATOM 0 H THR A 43 -6.989 -6.044 21.049 1.00 62.24 H new ATOM 0 HA THR A 43 -6.101 -8.729 20.718 1.00 20.35 H new ATOM 0 HB THR A 43 -8.500 -8.919 19.704 1.00 73.21 H new ATOM 0 HG1 THR A 43 -9.842 -7.108 20.351 1.00 32.44 H new ATOM 0 HG21 THR A 43 -9.513 -8.855 21.951 1.00 31.41 H new ATOM 0 HG22 THR A 43 -7.916 -9.641 21.971 1.00 31.41 H new ATOM 0 HG23 THR A 43 -8.094 -7.971 22.561 1.00 31.41 H new ATOM 614 N GLY A 44 -5.994 -9.157 18.227 1.00 74.20 N ATOM 615 CA GLY A 44 -5.681 -9.305 16.817 1.00 64.42 C ATOM 616 C GLY A 44 -6.616 -8.508 15.929 1.00 75.43 C ATOM 617 O GLY A 44 -7.721 -8.954 15.619 1.00 31.33 O ATOM 0 H GLY A 44 -5.916 -10.013 18.776 1.00 74.20 H new ATOM 0 HA2 GLY A 44 -4.655 -8.983 16.640 1.00 64.42 H new ATOM 0 HA3 GLY A 44 -5.736 -10.359 16.544 1.00 64.42 H new ATOM 621 N THR A 45 -6.174 -7.323 15.519 1.00 23.21 N ATOM 622 CA THR A 45 -6.979 -6.461 14.664 1.00 24.14 C ATOM 623 C THR A 45 -6.104 -5.497 13.874 1.00 52.41 C ATOM 624 O THR A 45 -4.995 -5.164 14.293 1.00 13.41 O ATOM 625 CB THR A 45 -8.003 -5.654 15.485 1.00 42.01 C ATOM 626 OG1 THR A 45 -8.701 -6.520 16.386 1.00 60.24 O ATOM 627 CG2 THR A 45 -8.999 -4.955 14.571 1.00 53.35 C ATOM 0 H THR A 45 -5.262 -6.939 15.766 1.00 23.21 H new ATOM 0 HA THR A 45 -7.512 -7.112 13.971 1.00 24.14 H new ATOM 0 HB THR A 45 -7.463 -4.897 16.055 1.00 42.01 H new ATOM 0 HG1 THR A 45 -8.135 -6.708 17.164 1.00 60.24 H new ATOM 0 HG21 THR A 45 -9.712 -4.392 15.173 1.00 53.35 H new ATOM 0 HG22 THR A 45 -8.467 -4.274 13.906 1.00 53.35 H new ATOM 0 HG23 THR A 45 -9.532 -5.698 13.978 1.00 53.35 H new ATOM 635 N LYS A 46 -6.607 -5.048 12.729 1.00 34.05 N ATOM 636 CA LYS A 46 -5.871 -4.120 11.880 1.00 10.03 C ATOM 637 C LYS A 46 -6.740 -3.635 10.724 1.00 41.43 C ATOM 638 O LYS A 46 -7.372 -4.432 10.032 1.00 4.33 O ATOM 639 CB LYS A 46 -4.606 -4.786 11.336 1.00 10.34 C ATOM 640 CG LYS A 46 -4.873 -6.085 10.594 1.00 72.53 C ATOM 641 CD LYS A 46 -4.142 -7.254 11.236 1.00 42.43 C ATOM 642 CE LYS A 46 -2.637 -7.142 11.046 1.00 45.12 C ATOM 643 NZ LYS A 46 -2.116 -8.183 10.118 1.00 70.31 N ATOM 0 H LYS A 46 -7.523 -5.313 12.368 1.00 34.05 H new ATOM 0 HA LYS A 46 -5.588 -3.259 12.486 1.00 10.03 H new ATOM 0 HB2 LYS A 46 -4.100 -4.092 10.665 1.00 10.34 H new ATOM 0 HB3 LYS A 46 -3.925 -4.984 12.164 1.00 10.34 H new ATOM 0 HG2 LYS A 46 -5.944 -6.286 10.584 1.00 72.53 H new ATOM 0 HG3 LYS A 46 -4.558 -5.983 9.556 1.00 72.53 H new ATOM 0 HD2 LYS A 46 -4.374 -7.289 12.300 1.00 42.43 H new ATOM 0 HD3 LYS A 46 -4.496 -8.189 10.802 1.00 42.43 H new ATOM 0 HE2 LYS A 46 -2.393 -6.154 10.657 1.00 45.12 H new ATOM 0 HE3 LYS A 46 -2.141 -7.236 12.012 1.00 45.12 H new ATOM 0 HZ1 LYS A 46 -1.087 -8.073 10.015 1.00 70.31 H new ATOM 0 HZ2 LYS A 46 -2.326 -9.127 10.501 1.00 70.31 H new ATOM 0 HZ3 LYS A 46 -2.570 -8.078 9.188 1.00 70.31 H new ATOM 657 N VAL A 47 -6.765 -2.321 10.519 1.00 14.43 N ATOM 658 CA VAL A 47 -7.554 -1.730 9.444 1.00 33.01 C ATOM 659 C VAL A 47 -6.902 -1.971 8.088 1.00 3.31 C ATOM 660 O VAL A 47 -6.018 -1.222 7.668 1.00 64.21 O ATOM 661 CB VAL A 47 -7.738 -0.215 9.652 1.00 24.12 C ATOM 662 CG1 VAL A 47 -8.521 0.391 8.497 1.00 54.40 C ATOM 663 CG2 VAL A 47 -8.430 0.060 10.978 1.00 62.45 C ATOM 0 H VAL A 47 -6.248 -1.646 11.083 1.00 14.43 H new ATOM 0 HA VAL A 47 -8.531 -2.213 9.464 1.00 33.01 H new ATOM 0 HB VAL A 47 -6.754 0.253 9.678 1.00 24.12 H new ATOM 0 HG11 VAL A 47 -8.641 1.462 8.661 1.00 54.40 H new ATOM 0 HG12 VAL A 47 -7.981 0.225 7.565 1.00 54.40 H new ATOM 0 HG13 VAL A 47 -9.502 -0.079 8.436 1.00 54.40 H new ATOM 0 HG21 VAL A 47 -8.552 1.135 11.109 1.00 62.45 H new ATOM 0 HG22 VAL A 47 -9.409 -0.420 10.984 1.00 62.45 H new ATOM 0 HG23 VAL A 47 -7.826 -0.338 11.793 1.00 62.45 H new ATOM 673 N THR A 48 -7.344 -3.021 7.402 1.00 24.31 N ATOM 674 CA THR A 48 -6.804 -3.361 6.093 1.00 2.11 C ATOM 675 C THR A 48 -7.081 -2.257 5.079 1.00 50.22 C ATOM 676 O THR A 48 -6.212 -1.898 4.284 1.00 63.35 O ATOM 677 CB THR A 48 -7.394 -4.684 5.567 1.00 71.43 C ATOM 678 OG1 THR A 48 -7.063 -5.755 6.457 1.00 32.34 O ATOM 679 CG2 THR A 48 -6.871 -4.995 4.174 1.00 42.44 C ATOM 0 H THR A 48 -8.075 -3.650 7.733 1.00 24.31 H new ATOM 0 HA THR A 48 -5.727 -3.475 6.217 1.00 2.11 H new ATOM 0 HB THR A 48 -8.477 -4.577 5.514 1.00 71.43 H new ATOM 0 HG1 THR A 48 -7.443 -6.592 6.117 1.00 32.34 H new ATOM 0 HG21 THR A 48 -7.302 -5.933 3.825 1.00 42.44 H new ATOM 0 HG22 THR A 48 -7.151 -4.191 3.493 1.00 42.44 H new ATOM 0 HG23 THR A 48 -5.785 -5.084 4.204 1.00 42.44 H new ATOM 687 N SER A 49 -8.297 -1.719 5.114 1.00 13.14 N ATOM 688 CA SER A 49 -8.689 -0.657 4.195 1.00 31.21 C ATOM 689 C SER A 49 -9.586 0.360 4.894 1.00 32.20 C ATOM 690 O SER A 49 -10.452 -0.002 5.690 1.00 12.42 O ATOM 691 CB SER A 49 -9.412 -1.244 2.981 1.00 60.55 C ATOM 692 OG SER A 49 -8.498 -1.556 1.945 1.00 31.30 O ATOM 0 H SER A 49 -9.027 -2.001 5.769 1.00 13.14 H new ATOM 0 HA SER A 49 -7.785 -0.149 3.858 1.00 31.21 H new ATOM 0 HB2 SER A 49 -9.953 -2.143 3.276 1.00 60.55 H new ATOM 0 HB3 SER A 49 -10.152 -0.532 2.615 1.00 60.55 H new ATOM 0 HG SER A 49 -8.985 -1.931 1.181 1.00 31.30 H new ATOM 698 N ALA A 50 -9.372 1.636 4.589 1.00 43.51 N ATOM 699 CA ALA A 50 -10.161 2.707 5.185 1.00 22.52 C ATOM 700 C ALA A 50 -10.661 3.679 4.121 1.00 35.03 C ATOM 701 O ALA A 50 -9.924 4.042 3.205 1.00 54.42 O ATOM 702 CB ALA A 50 -9.343 3.445 6.235 1.00 25.24 C ATOM 0 H ALA A 50 -8.659 1.953 3.932 1.00 43.51 H new ATOM 0 HA ALA A 50 -11.030 2.259 5.667 1.00 22.52 H new ATOM 0 HB1 ALA A 50 -9.945 4.242 6.671 1.00 25.24 H new ATOM 0 HB2 ALA A 50 -9.041 2.748 7.017 1.00 25.24 H new ATOM 0 HB3 ALA A 50 -8.456 3.874 5.770 1.00 25.24 H new ATOM 708 N TRP A 51 -11.915 4.093 4.248 1.00 25.02 N ATOM 709 CA TRP A 51 -12.513 5.023 3.296 1.00 30.24 C ATOM 710 C TRP A 51 -13.017 6.277 4.002 1.00 34.15 C ATOM 711 O TRP A 51 -13.537 6.206 5.116 1.00 4.40 O ATOM 712 CB TRP A 51 -13.663 4.348 2.546 1.00 42.51 C ATOM 713 CG TRP A 51 -14.646 3.671 3.451 1.00 63.14 C ATOM 714 CD1 TRP A 51 -15.650 4.266 4.162 1.00 11.32 C ATOM 715 CD2 TRP A 51 -14.719 2.272 3.745 1.00 71.40 C ATOM 716 NE1 TRP A 51 -16.342 3.320 4.879 1.00 22.31 N ATOM 717 CE2 TRP A 51 -15.791 2.090 4.640 1.00 31.44 C ATOM 718 CE3 TRP A 51 -13.984 1.156 3.338 1.00 55.30 C ATOM 719 CZ2 TRP A 51 -16.142 0.836 5.133 1.00 24.42 C ATOM 720 CZ3 TRP A 51 -14.334 -0.088 3.829 1.00 14.44 C ATOM 721 CH2 TRP A 51 -15.406 -0.240 4.718 1.00 40.51 C ATOM 0 H TRP A 51 -12.538 3.800 5.000 1.00 25.02 H new ATOM 0 HA TRP A 51 -11.744 5.316 2.581 1.00 30.24 H new ATOM 0 HB2 TRP A 51 -14.185 5.095 1.948 1.00 42.51 H new ATOM 0 HB3 TRP A 51 -13.253 3.614 1.852 1.00 42.51 H new ATOM 0 HD1 TRP A 51 -15.867 5.324 4.161 1.00 11.32 H new ATOM 0 HE1 TRP A 51 -17.137 3.504 5.490 1.00 22.31 H new ATOM 0 HE3 TRP A 51 -13.157 1.263 2.652 1.00 55.30 H new ATOM 0 HZ2 TRP A 51 -16.967 0.717 5.820 1.00 24.42 H new ATOM 0 HZ3 TRP A 51 -13.772 -0.957 3.522 1.00 14.44 H new ATOM 0 HH2 TRP A 51 -15.656 -1.225 5.083 1.00 40.51 H new ATOM 732 N ASP A 52 -12.860 7.423 3.348 1.00 21.14 N ATOM 733 CA ASP A 52 -13.301 8.692 3.914 1.00 12.44 C ATOM 734 C ASP A 52 -12.506 9.032 5.171 1.00 50.34 C ATOM 735 O ASP A 52 -12.886 9.917 5.937 1.00 73.31 O ATOM 736 CB ASP A 52 -14.794 8.640 4.238 1.00 31.40 C ATOM 737 CG ASP A 52 -15.459 9.998 4.129 1.00 73.32 C ATOM 738 OD1 ASP A 52 -15.336 10.796 5.081 1.00 14.20 O ATOM 739 OD2 ASP A 52 -16.103 10.262 3.092 1.00 31.44 O ATOM 0 H ASP A 52 -12.431 7.499 2.426 1.00 21.14 H new ATOM 0 HA ASP A 52 -13.126 9.472 3.173 1.00 12.44 H new ATOM 0 HB2 ASP A 52 -15.286 7.943 3.560 1.00 31.40 H new ATOM 0 HB3 ASP A 52 -14.930 8.252 5.248 1.00 31.40 H new ATOM 744 N ALA A 53 -11.401 8.322 5.376 1.00 44.14 N ATOM 745 CA ALA A 53 -10.552 8.550 6.539 1.00 64.03 C ATOM 746 C ALA A 53 -9.265 7.737 6.448 1.00 22.25 C ATOM 747 O ALA A 53 -9.299 6.508 6.371 1.00 31.52 O ATOM 748 CB ALA A 53 -11.305 8.208 7.817 1.00 1.51 C ATOM 0 H ALA A 53 -11.073 7.585 4.752 1.00 44.14 H new ATOM 0 HA ALA A 53 -10.283 9.606 6.560 1.00 64.03 H new ATOM 0 HB1 ALA A 53 -10.659 8.383 8.678 1.00 1.51 H new ATOM 0 HB2 ALA A 53 -12.192 8.836 7.896 1.00 1.51 H new ATOM 0 HB3 ALA A 53 -11.603 7.160 7.794 1.00 1.51 H new ATOM 754 N THR A 54 -8.131 8.429 6.454 1.00 62.04 N ATOM 755 CA THR A 54 -6.833 7.772 6.369 1.00 44.24 C ATOM 756 C THR A 54 -6.440 7.156 7.707 1.00 45.41 C ATOM 757 O THR A 54 -5.967 7.851 8.607 1.00 13.20 O ATOM 758 CB THR A 54 -5.733 8.756 5.927 1.00 21.42 C ATOM 759 OG1 THR A 54 -6.030 9.269 4.624 1.00 52.20 O ATOM 760 CG2 THR A 54 -4.373 8.075 5.912 1.00 14.53 C ATOM 0 H THR A 54 -8.085 9.446 6.517 1.00 62.04 H new ATOM 0 HA THR A 54 -6.926 6.983 5.622 1.00 44.24 H new ATOM 0 HB THR A 54 -5.702 9.578 6.642 1.00 21.42 H new ATOM 0 HG1 THR A 54 -5.327 9.895 4.351 1.00 52.20 H new ATOM 0 HG21 THR A 54 -3.612 8.789 5.597 1.00 14.53 H new ATOM 0 HG22 THR A 54 -4.137 7.711 6.912 1.00 14.53 H new ATOM 0 HG23 THR A 54 -4.394 7.236 5.216 1.00 14.53 H new ATOM 768 N VAL A 55 -6.640 5.848 7.832 1.00 10.01 N ATOM 769 CA VAL A 55 -6.304 5.137 9.061 1.00 44.44 C ATOM 770 C VAL A 55 -4.865 4.637 9.030 1.00 31.41 C ATOM 771 O VAL A 55 -4.489 3.845 8.166 1.00 4.32 O ATOM 772 CB VAL A 55 -7.247 3.943 9.293 1.00 24.35 C ATOM 773 CG1 VAL A 55 -6.949 3.279 10.629 1.00 25.44 C ATOM 774 CG2 VAL A 55 -8.700 4.389 9.223 1.00 4.02 C ATOM 0 H VAL A 55 -7.033 5.259 7.098 1.00 10.01 H new ATOM 0 HA VAL A 55 -6.421 5.847 9.880 1.00 44.44 H new ATOM 0 HB VAL A 55 -7.077 3.210 8.504 1.00 24.35 H new ATOM 0 HG11 VAL A 55 -7.625 2.437 10.776 1.00 25.44 H new ATOM 0 HG12 VAL A 55 -5.919 2.922 10.636 1.00 25.44 H new ATOM 0 HG13 VAL A 55 -7.089 4.001 11.433 1.00 25.44 H new ATOM 0 HG21 VAL A 55 -9.352 3.532 9.389 1.00 4.02 H new ATOM 0 HG22 VAL A 55 -8.887 5.141 9.989 1.00 4.02 H new ATOM 0 HG23 VAL A 55 -8.903 4.814 8.240 1.00 4.02 H new ATOM 784 N THR A 56 -4.061 5.103 9.982 1.00 5.04 N ATOM 785 CA THR A 56 -2.663 4.704 10.064 1.00 31.50 C ATOM 786 C THR A 56 -2.431 3.748 11.229 1.00 64.01 C ATOM 787 O THR A 56 -3.319 3.534 12.054 1.00 62.24 O ATOM 788 CB THR A 56 -1.738 5.925 10.226 1.00 62.13 C ATOM 789 OG1 THR A 56 -0.369 5.520 10.126 1.00 34.51 O ATOM 790 CG2 THR A 56 -1.974 6.609 11.564 1.00 50.12 C ATOM 0 H THR A 56 -4.356 5.757 10.707 1.00 5.04 H new ATOM 0 HA THR A 56 -2.424 4.198 9.129 1.00 31.50 H new ATOM 0 HB THR A 56 -1.965 6.633 9.429 1.00 62.13 H new ATOM 0 HG1 THR A 56 0.212 6.303 10.228 1.00 34.51 H new ATOM 0 HG21 THR A 56 -1.310 7.468 11.656 1.00 50.12 H new ATOM 0 HG22 THR A 56 -3.010 6.943 11.624 1.00 50.12 H new ATOM 0 HG23 THR A 56 -1.772 5.906 12.372 1.00 50.12 H new ATOM 798 N ASN A 57 -1.233 3.176 11.291 1.00 64.24 N ATOM 799 CA ASN A 57 -0.886 2.244 12.356 1.00 34.44 C ATOM 800 C ASN A 57 0.544 2.472 12.836 1.00 42.44 C ATOM 801 O ASN A 57 1.376 3.009 12.104 1.00 73.24 O ATOM 802 CB ASN A 57 -1.048 0.801 11.872 1.00 24.41 C ATOM 803 CG ASN A 57 0.175 0.299 11.130 1.00 72.31 C ATOM 804 OD1 ASN A 57 0.449 0.719 10.006 1.00 30.12 O ATOM 805 ND2 ASN A 57 0.918 -0.605 11.758 1.00 35.41 N ATOM 0 H ASN A 57 -0.487 3.342 10.616 1.00 64.24 H new ATOM 0 HA ASN A 57 -1.563 2.419 13.192 1.00 34.44 H new ATOM 0 HB2 ASN A 57 -1.242 0.154 12.727 1.00 24.41 H new ATOM 0 HB3 ASN A 57 -1.918 0.735 11.219 1.00 24.41 H new ATOM 0 HD21 ASN A 57 1.754 -0.979 11.309 1.00 35.41 H new ATOM 0 HD22 ASN A 57 0.653 -0.925 12.690 1.00 35.41 H new ATOM 812 N SER A 58 0.823 2.062 14.068 1.00 60.41 N ATOM 813 CA SER A 58 2.152 2.225 14.647 1.00 63.34 C ATOM 814 C SER A 58 2.370 1.241 15.792 1.00 64.41 C ATOM 815 O SER A 58 2.149 1.568 16.958 1.00 34.24 O ATOM 816 CB SER A 58 2.339 3.658 15.149 1.00 1.23 C ATOM 817 OG SER A 58 3.528 3.780 15.911 1.00 31.22 O ATOM 0 H SER A 58 0.146 1.614 14.686 1.00 60.41 H new ATOM 0 HA SER A 58 2.888 2.020 13.870 1.00 63.34 H new ATOM 0 HB2 SER A 58 2.375 4.342 14.301 1.00 1.23 H new ATOM 0 HB3 SER A 58 1.482 3.949 15.757 1.00 1.23 H new ATOM 0 HG SER A 58 3.626 4.705 16.219 1.00 31.22 H new ATOM 823 N GLY A 59 2.806 0.031 15.450 1.00 41.34 N ATOM 824 CA GLY A 59 3.047 -0.983 16.459 1.00 55.44 C ATOM 825 C GLY A 59 1.764 -1.600 16.980 1.00 40.45 C ATOM 826 O GLY A 59 1.280 -2.592 16.437 1.00 22.00 O ATOM 0 H GLY A 59 2.996 -0.264 14.492 1.00 41.34 H new ATOM 0 HA2 GLY A 59 3.678 -1.766 16.039 1.00 55.44 H new ATOM 0 HA3 GLY A 59 3.597 -0.541 17.290 1.00 55.44 H new ATOM 830 N ASP A 60 1.214 -1.012 18.037 1.00 4.11 N ATOM 831 CA ASP A 60 -0.021 -1.510 18.632 1.00 44.10 C ATOM 832 C ASP A 60 -1.063 -0.401 18.731 1.00 42.33 C ATOM 833 O ASP A 60 -2.178 -0.621 19.207 1.00 11.44 O ATOM 834 CB ASP A 60 0.255 -2.093 20.019 1.00 3.31 C ATOM 835 CG ASP A 60 1.038 -3.390 19.957 1.00 42.45 C ATOM 836 OD1 ASP A 60 2.125 -3.399 19.341 1.00 41.55 O ATOM 837 OD2 ASP A 60 0.565 -4.396 20.524 1.00 51.25 O ATOM 0 H ASP A 60 1.604 -0.190 18.499 1.00 4.11 H new ATOM 0 HA ASP A 60 -0.414 -2.296 17.987 1.00 44.10 H new ATOM 0 HB2 ASP A 60 0.809 -1.365 20.612 1.00 3.31 H new ATOM 0 HB3 ASP A 60 -0.691 -2.267 20.531 1.00 3.31 H new ATOM 842 N HIS A 61 -0.693 0.795 18.280 1.00 35.12 N ATOM 843 CA HIS A 61 -1.596 1.939 18.318 1.00 15.11 C ATOM 844 C HIS A 61 -2.067 2.306 16.915 1.00 21.23 C ATOM 845 O HIS A 61 -1.331 2.150 15.941 1.00 71.25 O ATOM 846 CB HIS A 61 -0.904 3.139 18.966 1.00 72.41 C ATOM 847 CG HIS A 61 -1.695 4.407 18.876 1.00 40.40 C ATOM 848 ND1 HIS A 61 -2.437 4.908 19.925 1.00 42.11 N ATOM 849 CD2 HIS A 61 -1.857 5.279 17.852 1.00 74.14 C ATOM 850 CE1 HIS A 61 -3.022 6.032 19.550 1.00 74.42 C ATOM 851 NE2 HIS A 61 -2.686 6.279 18.298 1.00 2.43 N ATOM 0 H HIS A 61 0.226 0.996 17.884 1.00 35.12 H new ATOM 0 HA HIS A 61 -2.466 1.664 18.914 1.00 15.11 H new ATOM 0 HB2 HIS A 61 -0.712 2.914 20.015 1.00 72.41 H new ATOM 0 HB3 HIS A 61 0.065 3.290 18.490 1.00 72.41 H new ATOM 0 HD2 HIS A 61 -1.417 5.202 16.869 1.00 74.14 H new ATOM 0 HE1 HIS A 61 -3.666 6.644 20.164 1.00 74.42 H new ATOM 0 HE2 HIS A 61 -2.992 7.083 17.750 1.00 2.43 H new ATOM 859 N TRP A 62 -3.300 2.792 16.819 1.00 70.14 N ATOM 860 CA TRP A 62 -3.870 3.181 15.534 1.00 32.13 C ATOM 861 C TRP A 62 -4.500 4.567 15.614 1.00 31.32 C ATOM 862 O TRP A 62 -4.892 5.020 16.690 1.00 44.14 O ATOM 863 CB TRP A 62 -4.915 2.156 15.086 1.00 40.33 C ATOM 864 CG TRP A 62 -4.316 0.878 14.585 1.00 34.01 C ATOM 865 CD1 TRP A 62 -3.723 -0.099 15.334 1.00 63.03 C ATOM 866 CD2 TRP A 62 -4.250 0.437 13.224 1.00 14.10 C ATOM 867 NE1 TRP A 62 -3.293 -1.120 14.521 1.00 42.52 N ATOM 868 CE2 TRP A 62 -3.604 -0.815 13.222 1.00 64.12 C ATOM 869 CE3 TRP A 62 -4.675 0.978 12.008 1.00 73.13 C ATOM 870 CZ2 TRP A 62 -3.375 -1.532 12.051 1.00 52.33 C ATOM 871 CZ3 TRP A 62 -4.445 0.266 10.847 1.00 2.24 C ATOM 872 CH2 TRP A 62 -3.801 -0.978 10.874 1.00 63.21 C ATOM 0 H TRP A 62 -3.924 2.926 17.615 1.00 70.14 H new ATOM 0 HA TRP A 62 -3.064 3.212 14.801 1.00 32.13 H new ATOM 0 HB2 TRP A 62 -5.578 1.935 15.922 1.00 40.33 H new ATOM 0 HB3 TRP A 62 -5.529 2.594 14.299 1.00 40.33 H new ATOM 0 HD1 TRP A 62 -3.609 -0.073 16.408 1.00 63.03 H new ATOM 0 HE1 TRP A 62 -2.819 -1.967 14.834 1.00 42.52 H new ATOM 0 HE3 TRP A 62 -5.174 1.935 11.976 1.00 73.13 H new ATOM 0 HZ2 TRP A 62 -2.879 -2.491 12.070 1.00 52.33 H new ATOM 0 HZ3 TRP A 62 -4.767 0.676 9.901 1.00 2.24 H new ATOM 0 HH2 TRP A 62 -3.638 -1.510 9.948 1.00 63.21 H new ATOM 883 N THR A 63 -4.596 5.237 14.470 1.00 21.34 N ATOM 884 CA THR A 63 -5.177 6.571 14.412 1.00 25.02 C ATOM 885 C THR A 63 -5.873 6.810 13.075 1.00 53.43 C ATOM 886 O THR A 63 -5.466 6.268 12.048 1.00 72.12 O ATOM 887 CB THR A 63 -4.109 7.660 14.623 1.00 75.21 C ATOM 888 OG1 THR A 63 -3.405 7.423 15.847 1.00 71.53 O ATOM 889 CG2 THR A 63 -4.744 9.042 14.657 1.00 0.43 C ATOM 0 H THR A 63 -4.278 4.876 13.570 1.00 21.34 H new ATOM 0 HA THR A 63 -5.910 6.631 15.217 1.00 25.02 H new ATOM 0 HB THR A 63 -3.410 7.620 13.788 1.00 75.21 H new ATOM 0 HG1 THR A 63 -3.118 8.278 16.230 1.00 71.53 H new ATOM 0 HG21 THR A 63 -3.970 9.795 14.807 1.00 0.43 H new ATOM 0 HG22 THR A 63 -5.255 9.231 13.713 1.00 0.43 H new ATOM 0 HG23 THR A 63 -5.462 9.092 15.475 1.00 0.43 H new ATOM 897 N ALA A 64 -6.921 7.626 13.096 1.00 71.41 N ATOM 898 CA ALA A 64 -7.670 7.938 11.886 1.00 62.45 C ATOM 899 C ALA A 64 -7.808 9.445 11.700 1.00 0.42 C ATOM 900 O ALA A 64 -8.295 10.149 12.585 1.00 23.31 O ATOM 901 CB ALA A 64 -9.043 7.283 11.930 1.00 62.10 C ATOM 0 H ALA A 64 -7.271 8.083 13.938 1.00 71.41 H new ATOM 0 HA ALA A 64 -7.117 7.541 11.034 1.00 62.45 H new ATOM 0 HB1 ALA A 64 -9.591 7.525 11.019 1.00 62.10 H new ATOM 0 HB2 ALA A 64 -8.928 6.202 12.008 1.00 62.10 H new ATOM 0 HB3 ALA A 64 -9.595 7.652 12.794 1.00 62.10 H new ATOM 907 N LYS A 65 -7.375 9.935 10.544 1.00 42.22 N ATOM 908 CA LYS A 65 -7.450 11.360 10.240 1.00 11.33 C ATOM 909 C LYS A 65 -7.922 11.587 8.808 1.00 10.35 C ATOM 910 O LYS A 65 -7.799 10.706 7.957 1.00 50.40 O ATOM 911 CB LYS A 65 -6.085 12.020 10.448 1.00 14.24 C ATOM 912 CG LYS A 65 -5.002 11.479 9.530 1.00 13.22 C ATOM 913 CD LYS A 65 -4.330 10.251 10.122 1.00 42.50 C ATOM 914 CE LYS A 65 -2.911 10.556 10.575 1.00 74.15 C ATOM 915 NZ LYS A 65 -2.886 11.530 11.702 1.00 13.34 N ATOM 0 H LYS A 65 -6.968 9.367 9.801 1.00 42.22 H new ATOM 0 HA LYS A 65 -8.173 11.812 10.919 1.00 11.33 H new ATOM 0 HB2 LYS A 65 -6.182 13.094 10.288 1.00 14.24 H new ATOM 0 HB3 LYS A 65 -5.776 11.878 11.484 1.00 14.24 H new ATOM 0 HG2 LYS A 65 -5.437 11.226 8.563 1.00 13.22 H new ATOM 0 HG3 LYS A 65 -4.255 12.253 9.351 1.00 13.22 H new ATOM 0 HD2 LYS A 65 -4.913 9.888 10.968 1.00 42.50 H new ATOM 0 HD3 LYS A 65 -4.313 9.452 9.381 1.00 42.50 H new ATOM 0 HE2 LYS A 65 -2.421 9.632 10.883 1.00 74.15 H new ATOM 0 HE3 LYS A 65 -2.340 10.956 9.737 1.00 74.15 H new ATOM 0 HZ1 LYS A 65 -1.905 11.673 12.015 1.00 13.34 H new ATOM 0 HZ2 LYS A 65 -3.284 12.437 11.386 1.00 13.34 H new ATOM 0 HZ3 LYS A 65 -3.452 11.161 12.493 1.00 13.34 H new ATOM 929 N ASN A 66 -8.462 12.773 8.548 1.00 63.32 N ATOM 930 CA ASN A 66 -8.952 13.115 7.218 1.00 44.43 C ATOM 931 C ASN A 66 -8.424 14.477 6.777 1.00 54.23 C ATOM 932 O ASN A 66 -7.861 14.614 5.691 1.00 45.30 O ATOM 933 CB ASN A 66 -10.482 13.119 7.201 1.00 42.43 C ATOM 934 CG ASN A 66 -11.044 13.266 5.800 1.00 61.31 C ATOM 935 OD1 ASN A 66 -10.505 12.712 4.842 1.00 30.21 O ATOM 936 ND2 ASN A 66 -12.134 14.014 5.675 1.00 42.40 N ATOM 0 H ASN A 66 -8.571 13.513 9.241 1.00 63.32 H new ATOM 0 HA ASN A 66 -8.589 12.361 6.519 1.00 44.43 H new ATOM 0 HB2 ASN A 66 -10.850 12.193 7.642 1.00 42.43 H new ATOM 0 HB3 ASN A 66 -10.847 13.936 7.824 1.00 42.43 H new ATOM 0 HD21 ASN A 66 -12.558 14.148 4.757 1.00 42.40 H new ATOM 0 HD22 ASN A 66 -12.547 14.455 6.497 1.00 42.40 H new ATOM 943 N VAL A 67 -8.607 15.481 7.628 1.00 44.03 N ATOM 944 CA VAL A 67 -8.148 16.832 7.328 1.00 74.04 C ATOM 945 C VAL A 67 -6.849 17.146 8.062 1.00 62.11 C ATOM 946 O VAL A 67 -6.662 18.252 8.568 1.00 20.15 O ATOM 947 CB VAL A 67 -9.207 17.883 7.709 1.00 4.34 C ATOM 948 CG1 VAL A 67 -9.116 19.091 6.789 1.00 51.24 C ATOM 949 CG2 VAL A 67 -10.601 17.274 7.665 1.00 62.03 C ATOM 0 H VAL A 67 -9.070 15.384 8.532 1.00 44.03 H new ATOM 0 HA VAL A 67 -7.975 16.876 6.253 1.00 74.04 H new ATOM 0 HB VAL A 67 -9.012 18.217 8.728 1.00 4.34 H new ATOM 0 HG11 VAL A 67 -9.872 19.823 7.074 1.00 51.24 H new ATOM 0 HG12 VAL A 67 -8.126 19.540 6.874 1.00 51.24 H new ATOM 0 HG13 VAL A 67 -9.284 18.777 5.759 1.00 51.24 H new ATOM 0 HG21 VAL A 67 -11.337 18.030 7.937 1.00 62.03 H new ATOM 0 HG22 VAL A 67 -10.808 16.912 6.658 1.00 62.03 H new ATOM 0 HG23 VAL A 67 -10.658 16.443 8.368 1.00 62.03 H new ATOM 959 N GLY A 68 -5.954 16.165 8.116 1.00 42.13 N ATOM 960 CA GLY A 68 -4.683 16.357 8.791 1.00 0.04 C ATOM 961 C GLY A 68 -3.696 17.146 7.954 1.00 1.53 C ATOM 962 O GLY A 68 -2.564 17.382 8.374 1.00 74.42 O ATOM 0 H GLY A 68 -6.086 15.241 7.705 1.00 42.13 H new ATOM 0 HA2 GLY A 68 -4.851 16.876 9.735 1.00 0.04 H new ATOM 0 HA3 GLY A 68 -4.253 15.385 9.034 1.00 0.04 H new ATOM 966 N TRP A 69 -4.125 17.554 6.765 1.00 12.02 N ATOM 967 CA TRP A 69 -3.269 18.320 5.865 1.00 25.33 C ATOM 968 C TRP A 69 -3.789 19.743 5.701 1.00 43.34 C ATOM 969 O TRP A 69 -3.030 20.659 5.384 1.00 31.22 O ATOM 970 CB TRP A 69 -3.185 17.634 4.501 1.00 4.24 C ATOM 971 CG TRP A 69 -4.465 16.971 4.089 1.00 51.32 C ATOM 972 CD1 TRP A 69 -4.825 15.673 4.315 1.00 4.51 C ATOM 973 CD2 TRP A 69 -5.552 17.575 3.379 1.00 31.31 C ATOM 974 NE1 TRP A 69 -6.070 15.433 3.787 1.00 23.12 N ATOM 975 CE2 TRP A 69 -6.539 16.583 3.209 1.00 1.40 C ATOM 976 CE3 TRP A 69 -5.789 18.855 2.872 1.00 12.11 C ATOM 977 CZ2 TRP A 69 -7.741 16.835 2.552 1.00 52.53 C ATOM 978 CZ3 TRP A 69 -6.982 19.103 2.220 1.00 23.21 C ATOM 979 CH2 TRP A 69 -7.946 18.097 2.066 1.00 4.50 C ATOM 0 H TRP A 69 -5.060 17.368 6.402 1.00 12.02 H new ATOM 0 HA TRP A 69 -2.272 18.365 6.302 1.00 25.33 H new ATOM 0 HB2 TRP A 69 -2.908 18.372 3.748 1.00 4.24 H new ATOM 0 HB3 TRP A 69 -2.390 16.889 4.526 1.00 4.24 H new ATOM 0 HD1 TRP A 69 -4.220 14.943 4.832 1.00 4.51 H new ATOM 0 HE1 TRP A 69 -6.566 14.542 3.820 1.00 23.12 H new ATOM 0 HE3 TRP A 69 -5.053 19.637 2.988 1.00 12.11 H new ATOM 0 HZ2 TRP A 69 -8.485 16.061 2.431 1.00 52.53 H new ATOM 0 HZ3 TRP A 69 -7.175 20.088 1.822 1.00 23.21 H new ATOM 0 HH2 TRP A 69 -8.869 18.323 1.553 1.00 4.50 H new ATOM 990 N ASN A 70 -5.088 19.925 5.920 1.00 13.44 N ATOM 991 CA ASN A 70 -5.708 21.239 5.796 1.00 21.14 C ATOM 992 C ASN A 70 -6.131 21.771 7.161 1.00 1.52 C ATOM 993 O ASN A 70 -5.898 22.935 7.484 1.00 72.04 O ATOM 994 CB ASN A 70 -6.921 21.167 4.865 1.00 31.42 C ATOM 995 CG ASN A 70 -6.681 21.875 3.546 1.00 54.21 C ATOM 996 OD1 ASN A 70 -5.559 21.905 3.040 1.00 21.54 O ATOM 997 ND2 ASN A 70 -7.737 22.450 2.982 1.00 33.31 N ATOM 0 H ASN A 70 -5.731 19.179 6.184 1.00 13.44 H new ATOM 0 HA ASN A 70 -4.973 21.923 5.372 1.00 21.14 H new ATOM 0 HB2 ASN A 70 -7.167 20.123 4.674 1.00 31.42 H new ATOM 0 HB3 ASN A 70 -7.783 21.612 5.361 1.00 31.42 H new ATOM 0 HD21 ASN A 70 -7.636 22.941 2.094 1.00 33.31 H new ATOM 0 HD22 ASN A 70 -8.649 22.400 3.437 1.00 33.31 H new ATOM 1004 N GLY A 71 -6.755 20.911 7.959 1.00 60.22 N ATOM 1005 CA GLY A 71 -7.200 21.313 9.281 1.00 20.24 C ATOM 1006 C GLY A 71 -8.024 22.585 9.252 1.00 41.25 C ATOM 1007 O GLY A 71 -7.706 23.556 9.939 1.00 55.43 O ATOM 0 H GLY A 71 -6.961 19.942 7.714 1.00 60.22 H new ATOM 0 HA2 GLY A 71 -7.791 20.510 9.722 1.00 20.24 H new ATOM 0 HA3 GLY A 71 -6.332 21.460 9.924 1.00 20.24 H new ATOM 1011 N THR A 72 -9.087 22.583 8.454 1.00 13.24 N ATOM 1012 CA THR A 72 -9.958 23.745 8.336 1.00 70.33 C ATOM 1013 C THR A 72 -11.425 23.346 8.432 1.00 21.42 C ATOM 1014 O THR A 72 -12.043 22.968 7.435 1.00 30.23 O ATOM 1015 CB THR A 72 -9.725 24.489 7.007 1.00 71.15 C ATOM 1016 OG1 THR A 72 -10.763 25.453 6.798 1.00 21.25 O ATOM 1017 CG2 THR A 72 -9.688 23.514 5.841 1.00 72.33 C ATOM 0 H THR A 72 -9.366 21.788 7.879 1.00 13.24 H new ATOM 0 HA THR A 72 -9.711 24.410 9.164 1.00 70.33 H new ATOM 0 HB THR A 72 -8.763 24.998 7.064 1.00 71.15 H new ATOM 0 HG1 THR A 72 -10.607 25.923 5.952 1.00 21.25 H new ATOM 0 HG21 THR A 72 -9.522 24.062 4.913 1.00 72.33 H new ATOM 0 HG22 THR A 72 -8.878 22.799 5.990 1.00 72.33 H new ATOM 0 HG23 THR A 72 -10.637 22.980 5.783 1.00 72.33 H new ATOM 1025 N LEU A 73 -11.980 23.432 9.636 1.00 35.44 N ATOM 1026 CA LEU A 73 -13.377 23.078 9.861 1.00 61.14 C ATOM 1027 C LEU A 73 -14.053 24.092 10.779 1.00 62.12 C ATOM 1028 O LEU A 73 -13.386 24.835 11.500 1.00 1.22 O ATOM 1029 CB LEU A 73 -13.478 21.678 10.468 1.00 25.22 C ATOM 1030 CG LEU A 73 -14.801 20.943 10.243 1.00 0.22 C ATOM 1031 CD1 LEU A 73 -14.548 19.497 9.847 1.00 41.44 C ATOM 1032 CD2 LEU A 73 -15.668 21.012 11.492 1.00 72.10 C ATOM 0 H LEU A 73 -11.484 23.744 10.471 1.00 35.44 H new ATOM 0 HA LEU A 73 -13.888 23.087 8.898 1.00 61.14 H new ATOM 0 HB2 LEU A 73 -12.672 21.068 10.060 1.00 25.22 H new ATOM 0 HB3 LEU A 73 -13.307 21.756 11.542 1.00 25.22 H new ATOM 0 HG LEU A 73 -15.333 21.433 9.428 1.00 0.22 H new ATOM 0 HD11 LEU A 73 -15.500 18.990 9.691 1.00 41.44 H new ATOM 0 HD12 LEU A 73 -13.967 19.469 8.925 1.00 41.44 H new ATOM 0 HD13 LEU A 73 -13.995 18.994 10.640 1.00 41.44 H new ATOM 0 HD21 LEU A 73 -16.605 20.484 11.314 1.00 72.10 H new ATOM 0 HD22 LEU A 73 -15.142 20.547 12.326 1.00 72.10 H new ATOM 0 HD23 LEU A 73 -15.879 22.054 11.732 1.00 72.10 H new ATOM 1044 N ALA A 74 -15.382 24.117 10.748 1.00 30.45 N ATOM 1045 CA ALA A 74 -16.149 25.037 11.581 1.00 13.55 C ATOM 1046 C ALA A 74 -16.341 24.475 12.985 1.00 44.23 C ATOM 1047 O ALA A 74 -16.177 23.281 13.231 1.00 14.15 O ATOM 1048 CB ALA A 74 -17.497 25.330 10.938 1.00 15.13 C ATOM 0 H ALA A 74 -15.950 23.511 10.155 1.00 30.45 H new ATOM 0 HA ALA A 74 -15.588 25.968 11.665 1.00 13.55 H new ATOM 0 HB1 ALA A 74 -18.060 26.018 11.569 1.00 15.13 H new ATOM 0 HB2 ALA A 74 -17.342 25.781 9.958 1.00 15.13 H new ATOM 0 HB3 ALA A 74 -18.056 24.401 10.825 1.00 15.13 H new ATOM 1054 N PRO A 75 -16.696 25.357 13.932 1.00 43.33 N ATOM 1055 CA PRO A 75 -16.918 24.973 15.328 1.00 61.31 C ATOM 1056 C PRO A 75 -18.176 24.128 15.504 1.00 40.14 C ATOM 1057 O PRO A 75 -18.429 23.592 16.582 1.00 14.11 O ATOM 1058 CB PRO A 75 -17.071 26.315 16.046 1.00 42.44 C ATOM 1059 CG PRO A 75 -17.546 27.257 14.993 1.00 35.44 C ATOM 1060 CD PRO A 75 -16.909 26.798 13.710 1.00 75.32 C ATOM 0 HA PRO A 75 -16.106 24.358 15.715 1.00 61.31 H new ATOM 0 HB2 PRO A 75 -17.785 26.246 16.866 1.00 42.44 H new ATOM 0 HB3 PRO A 75 -16.125 26.645 16.474 1.00 42.44 H new ATOM 0 HG2 PRO A 75 -18.633 27.241 14.917 1.00 35.44 H new ATOM 0 HG3 PRO A 75 -17.258 28.282 15.227 1.00 35.44 H new ATOM 0 HD2 PRO A 75 -17.556 26.981 12.852 1.00 75.32 H new ATOM 0 HD3 PRO A 75 -15.971 27.318 13.519 1.00 75.32 H new ATOM 1068 N GLY A 76 -18.961 24.015 14.437 1.00 33.23 N ATOM 1069 CA GLY A 76 -20.183 23.234 14.496 1.00 3.44 C ATOM 1070 C GLY A 76 -20.397 22.399 13.249 1.00 33.42 C ATOM 1071 O GLY A 76 -20.573 22.937 12.156 1.00 22.14 O ATOM 0 H GLY A 76 -18.773 24.450 13.534 1.00 33.23 H new ATOM 0 HA2 GLY A 76 -20.151 22.579 15.367 1.00 3.44 H new ATOM 0 HA3 GLY A 76 -21.032 23.903 14.632 1.00 3.44 H new ATOM 1075 N ALA A 77 -20.380 21.080 13.413 1.00 14.44 N ATOM 1076 CA ALA A 77 -20.574 20.169 12.291 1.00 74.22 C ATOM 1077 C ALA A 77 -20.524 18.716 12.749 1.00 22.20 C ATOM 1078 O ALA A 77 -20.198 18.429 13.902 1.00 20.13 O ATOM 1079 CB ALA A 77 -19.526 20.422 11.218 1.00 10.42 C ATOM 0 H ALA A 77 -20.234 20.619 14.311 1.00 14.44 H new ATOM 0 HA ALA A 77 -21.562 20.356 11.870 1.00 74.22 H new ATOM 0 HB1 ALA A 77 -19.683 19.735 10.387 1.00 10.42 H new ATOM 0 HB2 ALA A 77 -19.611 21.448 10.861 1.00 10.42 H new ATOM 0 HB3 ALA A 77 -18.532 20.264 11.636 1.00 10.42 H new ATOM 1085 N SER A 78 -20.850 17.802 11.841 1.00 22.44 N ATOM 1086 CA SER A 78 -20.846 16.377 12.154 1.00 72.31 C ATOM 1087 C SER A 78 -20.466 15.553 10.928 1.00 61.41 C ATOM 1088 O SER A 78 -21.006 15.751 9.840 1.00 24.34 O ATOM 1089 CB SER A 78 -22.220 15.943 12.669 1.00 22.31 C ATOM 1090 OG SER A 78 -23.227 16.185 11.702 1.00 0.53 O ATOM 0 H SER A 78 -21.120 18.022 10.882 1.00 22.44 H new ATOM 0 HA SER A 78 -20.103 16.203 12.932 1.00 72.31 H new ATOM 0 HB2 SER A 78 -22.199 14.882 12.920 1.00 22.31 H new ATOM 0 HB3 SER A 78 -22.455 16.483 13.586 1.00 22.31 H new ATOM 0 HG SER A 78 -22.843 16.110 10.804 1.00 0.53 H new ATOM 1096 N VAL A 79 -19.531 14.626 11.113 1.00 3.30 N ATOM 1097 CA VAL A 79 -19.078 13.769 10.024 1.00 42.22 C ATOM 1098 C VAL A 79 -18.725 12.376 10.531 1.00 32.02 C ATOM 1099 O VAL A 79 -18.300 12.210 11.675 1.00 14.15 O ATOM 1100 CB VAL A 79 -17.853 14.370 9.310 1.00 34.23 C ATOM 1101 CG1 VAL A 79 -17.505 13.558 8.071 1.00 44.41 C ATOM 1102 CG2 VAL A 79 -18.107 15.826 8.950 1.00 35.23 C ATOM 0 H VAL A 79 -19.073 14.450 12.007 1.00 3.30 H new ATOM 0 HA VAL A 79 -19.903 13.695 9.315 1.00 42.22 H new ATOM 0 HB VAL A 79 -17.003 14.331 9.991 1.00 34.23 H new ATOM 0 HG11 VAL A 79 -16.637 13.998 7.580 1.00 44.41 H new ATOM 0 HG12 VAL A 79 -17.277 12.532 8.360 1.00 44.41 H new ATOM 0 HG13 VAL A 79 -18.351 13.562 7.384 1.00 44.41 H new ATOM 0 HG21 VAL A 79 -17.231 16.234 8.446 1.00 35.23 H new ATOM 0 HG22 VAL A 79 -18.970 15.892 8.288 1.00 35.23 H new ATOM 0 HG23 VAL A 79 -18.302 16.397 9.858 1.00 35.23 H new ATOM 1112 N SER A 80 -18.903 11.377 9.673 1.00 31.22 N ATOM 1113 CA SER A 80 -18.605 9.996 10.035 1.00 72.42 C ATOM 1114 C SER A 80 -17.726 9.335 8.979 1.00 15.15 C ATOM 1115 O SER A 80 -17.734 9.728 7.812 1.00 12.01 O ATOM 1116 CB SER A 80 -19.902 9.200 10.206 1.00 54.44 C ATOM 1117 OG SER A 80 -19.763 7.884 9.699 1.00 74.14 O ATOM 0 H SER A 80 -19.252 11.498 8.722 1.00 31.22 H new ATOM 0 HA SER A 80 -18.063 10.003 10.981 1.00 72.42 H new ATOM 0 HB2 SER A 80 -20.171 9.160 11.261 1.00 54.44 H new ATOM 0 HB3 SER A 80 -20.715 9.708 9.688 1.00 54.44 H new ATOM 0 HG SER A 80 -20.604 7.396 9.821 1.00 74.14 H new ATOM 1123 N PHE A 81 -16.966 8.327 9.397 1.00 60.10 N ATOM 1124 CA PHE A 81 -16.078 7.611 8.488 1.00 21.42 C ATOM 1125 C PHE A 81 -16.062 6.119 8.808 1.00 1.42 C ATOM 1126 O PHE A 81 -16.043 5.722 9.973 1.00 40.32 O ATOM 1127 CB PHE A 81 -14.660 8.177 8.574 1.00 45.54 C ATOM 1128 CG PHE A 81 -13.935 7.792 9.831 1.00 53.44 C ATOM 1129 CD1 PHE A 81 -14.026 8.580 10.968 1.00 3.43 C ATOM 1130 CD2 PHE A 81 -13.163 6.643 9.878 1.00 4.31 C ATOM 1131 CE1 PHE A 81 -13.359 8.228 12.126 1.00 61.10 C ATOM 1132 CE2 PHE A 81 -12.494 6.286 11.033 1.00 21.42 C ATOM 1133 CZ PHE A 81 -12.593 7.079 12.159 1.00 24.51 C ATOM 0 H PHE A 81 -16.948 7.988 10.359 1.00 60.10 H new ATOM 0 HA PHE A 81 -16.453 7.744 7.473 1.00 21.42 H new ATOM 0 HB2 PHE A 81 -14.087 7.832 7.714 1.00 45.54 H new ATOM 0 HB3 PHE A 81 -14.707 9.264 8.510 1.00 45.54 H new ATOM 0 HD1 PHE A 81 -14.625 9.479 10.949 1.00 3.43 H new ATOM 0 HD2 PHE A 81 -13.083 6.018 9.001 1.00 4.31 H new ATOM 0 HE1 PHE A 81 -13.437 8.851 13.005 1.00 61.10 H new ATOM 0 HE2 PHE A 81 -11.894 5.388 11.055 1.00 21.42 H new ATOM 0 HZ PHE A 81 -12.073 6.801 13.064 1.00 24.51 H new ATOM 1143 N GLY A 82 -16.069 5.295 7.764 1.00 21.11 N ATOM 1144 CA GLY A 82 -16.055 3.857 7.954 1.00 23.13 C ATOM 1145 C GLY A 82 -14.805 3.210 7.391 1.00 1.22 C ATOM 1146 O GLY A 82 -13.986 3.874 6.756 1.00 13.35 O ATOM 0 H GLY A 82 -16.084 5.598 6.790 1.00 21.11 H new ATOM 0 HA2 GLY A 82 -16.128 3.634 9.018 1.00 23.13 H new ATOM 0 HA3 GLY A 82 -16.933 3.422 7.476 1.00 23.13 H new ATOM 1150 N PHE A 83 -14.657 1.910 7.626 1.00 72.20 N ATOM 1151 CA PHE A 83 -13.495 1.173 7.140 1.00 64.20 C ATOM 1152 C PHE A 83 -13.699 -0.330 7.301 1.00 74.40 C ATOM 1153 O PHE A 83 -14.720 -0.777 7.823 1.00 53.21 O ATOM 1154 CB PHE A 83 -12.236 1.612 7.890 1.00 61.40 C ATOM 1155 CG PHE A 83 -12.164 1.091 9.297 1.00 32.03 C ATOM 1156 CD1 PHE A 83 -11.605 -0.149 9.563 1.00 64.13 C ATOM 1157 CD2 PHE A 83 -12.656 1.841 10.354 1.00 33.45 C ATOM 1158 CE1 PHE A 83 -11.537 -0.631 10.856 1.00 74.32 C ATOM 1159 CE2 PHE A 83 -12.591 1.363 11.649 1.00 15.14 C ATOM 1160 CZ PHE A 83 -12.031 0.125 11.900 1.00 73.35 C ATOM 0 H PHE A 83 -15.326 1.345 8.149 1.00 72.20 H new ATOM 0 HA PHE A 83 -13.373 1.394 6.080 1.00 64.20 H new ATOM 0 HB2 PHE A 83 -11.358 1.273 7.340 1.00 61.40 H new ATOM 0 HB3 PHE A 83 -12.197 2.701 7.912 1.00 61.40 H new ATOM 0 HD1 PHE A 83 -11.218 -0.745 8.750 1.00 64.13 H new ATOM 0 HD2 PHE A 83 -13.095 2.809 10.163 1.00 33.45 H new ATOM 0 HE1 PHE A 83 -11.098 -1.598 11.050 1.00 74.32 H new ATOM 0 HE2 PHE A 83 -12.978 1.957 12.464 1.00 15.14 H new ATOM 0 HZ PHE A 83 -11.980 -0.251 12.911 1.00 73.35 H new ATOM 1170 N ASN A 84 -12.719 -1.106 6.848 1.00 24.13 N ATOM 1171 CA ASN A 84 -12.791 -2.559 6.941 1.00 12.14 C ATOM 1172 C ASN A 84 -11.504 -3.131 7.529 1.00 45.11 C ATOM 1173 O ASN A 84 -10.411 -2.865 7.032 1.00 52.03 O ATOM 1174 CB ASN A 84 -13.048 -3.167 5.560 1.00 14.23 C ATOM 1175 CG ASN A 84 -12.661 -4.632 5.492 1.00 42.44 C ATOM 1176 OD1 ASN A 84 -12.796 -5.367 6.470 1.00 75.20 O ATOM 1177 ND2 ASN A 84 -12.176 -5.062 4.333 1.00 25.23 N ATOM 0 H ASN A 84 -11.867 -0.753 6.413 1.00 24.13 H new ATOM 0 HA ASN A 84 -13.618 -2.815 7.603 1.00 12.14 H new ATOM 0 HB2 ASN A 84 -14.104 -3.061 5.310 1.00 14.23 H new ATOM 0 HB3 ASN A 84 -12.485 -2.610 4.811 1.00 14.23 H new ATOM 0 HD21 ASN A 84 -11.898 -6.038 4.227 1.00 25.23 H new ATOM 0 HD22 ASN A 84 -12.082 -4.417 3.549 1.00 25.23 H new ATOM 1184 N GLY A 85 -11.644 -3.920 8.590 1.00 43.32 N ATOM 1185 CA GLY A 85 -10.485 -4.517 9.228 1.00 21.51 C ATOM 1186 C GLY A 85 -10.653 -6.006 9.459 1.00 65.35 C ATOM 1187 O GLY A 85 -11.775 -6.500 9.574 1.00 0.55 O ATOM 0 H GLY A 85 -12.539 -4.156 9.019 1.00 43.32 H new ATOM 0 HA2 GLY A 85 -9.605 -4.346 8.609 1.00 21.51 H new ATOM 0 HA3 GLY A 85 -10.304 -4.022 10.182 1.00 21.51 H new ATOM 1191 N SER A 86 -9.537 -6.723 9.526 1.00 1.22 N ATOM 1192 CA SER A 86 -9.565 -8.165 9.739 1.00 23.42 C ATOM 1193 C SER A 86 -9.381 -8.499 11.216 1.00 21.31 C ATOM 1194 O SER A 86 -8.295 -8.333 11.771 1.00 23.41 O ATOM 1195 CB SER A 86 -8.475 -8.846 8.910 1.00 34.41 C ATOM 1196 OG SER A 86 -8.809 -10.196 8.638 1.00 24.51 O ATOM 0 H SER A 86 -8.601 -6.329 9.436 1.00 1.22 H new ATOM 0 HA SER A 86 -10.539 -8.536 9.419 1.00 23.42 H new ATOM 0 HB2 SER A 86 -8.336 -8.307 7.973 1.00 34.41 H new ATOM 0 HB3 SER A 86 -7.527 -8.804 9.446 1.00 34.41 H new ATOM 0 HG SER A 86 -8.097 -10.608 8.105 1.00 24.51 H new ATOM 1202 N GLY A 87 -10.451 -8.973 11.848 1.00 3.13 N ATOM 1203 CA GLY A 87 -10.388 -9.324 13.254 1.00 42.22 C ATOM 1204 C GLY A 87 -11.754 -9.326 13.913 1.00 53.34 C ATOM 1205 O GLY A 87 -12.786 -9.413 13.250 1.00 0.12 O ATOM 0 H GLY A 87 -11.361 -9.120 11.410 1.00 3.13 H new ATOM 0 HA2 GLY A 87 -9.936 -10.310 13.359 1.00 42.22 H new ATOM 0 HA3 GLY A 87 -9.739 -8.619 13.773 1.00 42.22 H new ATOM 1209 N PRO A 88 -11.769 -9.231 15.250 1.00 72.51 N ATOM 1210 CA PRO A 88 -13.011 -9.221 16.030 1.00 14.40 C ATOM 1211 C PRO A 88 -13.810 -7.937 15.830 1.00 75.41 C ATOM 1212 O PRO A 88 -15.034 -7.969 15.706 1.00 12.22 O ATOM 1213 CB PRO A 88 -12.524 -9.329 17.477 1.00 15.51 C ATOM 1214 CG PRO A 88 -11.143 -8.771 17.454 1.00 32.10 C ATOM 1215 CD PRO A 88 -10.575 -9.124 16.107 1.00 30.15 C ATOM 0 HA PRO A 88 -13.685 -10.024 15.733 1.00 14.40 H new ATOM 0 HB2 PRO A 88 -13.167 -8.767 18.154 1.00 15.51 H new ATOM 0 HB3 PRO A 88 -12.527 -10.364 17.820 1.00 15.51 H new ATOM 0 HG2 PRO A 88 -11.156 -7.691 17.601 1.00 32.10 H new ATOM 0 HG3 PRO A 88 -10.538 -9.194 18.256 1.00 32.10 H new ATOM 0 HD2 PRO A 88 -9.889 -8.357 15.747 1.00 30.15 H new ATOM 0 HD3 PRO A 88 -10.018 -10.060 16.139 1.00 30.15 H new ATOM 1223 N GLY A 89 -13.109 -6.808 15.802 1.00 42.21 N ATOM 1224 CA GLY A 89 -13.770 -5.529 15.618 1.00 23.22 C ATOM 1225 C GLY A 89 -14.185 -4.897 16.932 1.00 3.53 C ATOM 1226 O GLY A 89 -15.138 -4.118 16.979 1.00 34.04 O ATOM 0 H GLY A 89 -12.095 -6.756 15.903 1.00 42.21 H new ATOM 0 HA2 GLY A 89 -13.102 -4.851 15.087 1.00 23.22 H new ATOM 0 HA3 GLY A 89 -14.650 -5.665 14.990 1.00 23.22 H new ATOM 1230 N SER A 90 -13.471 -5.234 18.000 1.00 44.24 N ATOM 1231 CA SER A 90 -13.774 -4.697 19.322 1.00 1.01 C ATOM 1232 C SER A 90 -12.651 -3.787 19.810 1.00 42.20 C ATOM 1233 O SER A 90 -11.869 -4.141 20.692 1.00 33.22 O ATOM 1234 CB SER A 90 -13.994 -5.835 20.320 1.00 14.01 C ATOM 1235 OG SER A 90 -15.235 -6.481 20.092 1.00 32.22 O ATOM 0 H SER A 90 -12.679 -5.876 17.977 1.00 44.24 H new ATOM 0 HA SER A 90 -14.688 -4.108 19.246 1.00 1.01 H new ATOM 0 HB2 SER A 90 -13.183 -6.558 20.236 1.00 14.01 H new ATOM 0 HB3 SER A 90 -13.966 -5.442 21.336 1.00 14.01 H new ATOM 0 HG SER A 90 -15.351 -7.205 20.742 1.00 32.22 H new ATOM 1241 N PRO A 91 -12.567 -2.584 19.222 1.00 74.22 N ATOM 1242 CA PRO A 91 -11.544 -1.598 19.581 1.00 11.31 C ATOM 1243 C PRO A 91 -11.765 -1.012 20.971 1.00 50.20 C ATOM 1244 O PRO A 91 -12.852 -1.126 21.537 1.00 64.13 O ATOM 1245 CB PRO A 91 -11.706 -0.514 18.511 1.00 30.44 C ATOM 1246 CG PRO A 91 -13.122 -0.634 18.062 1.00 12.41 C ATOM 1247 CD PRO A 91 -13.465 -2.095 18.163 1.00 50.22 C ATOM 0 HA PRO A 91 -10.547 -2.038 19.614 1.00 11.31 H new ATOM 0 HB2 PRO A 91 -11.502 0.477 18.917 1.00 30.44 H new ATOM 0 HB3 PRO A 91 -11.014 -0.668 17.683 1.00 30.44 H new ATOM 0 HG2 PRO A 91 -13.782 -0.034 18.688 1.00 12.41 H new ATOM 0 HG3 PRO A 91 -13.239 -0.275 17.039 1.00 12.41 H new ATOM 0 HD2 PRO A 91 -14.513 -2.245 18.424 1.00 50.22 H new ATOM 0 HD3 PRO A 91 -13.294 -2.614 17.220 1.00 50.22 H new ATOM 1255 N SER A 92 -10.728 -0.385 21.516 1.00 4.30 N ATOM 1256 CA SER A 92 -10.808 0.217 22.842 1.00 3.33 C ATOM 1257 C SER A 92 -9.914 1.450 22.934 1.00 31.51 C ATOM 1258 O SER A 92 -9.154 1.749 22.015 1.00 20.22 O ATOM 1259 CB SER A 92 -10.407 -0.800 23.911 1.00 73.30 C ATOM 1260 OG SER A 92 -9.043 -1.161 23.785 1.00 73.21 O ATOM 0 H SER A 92 -9.822 -0.280 21.060 1.00 4.30 H new ATOM 0 HA SER A 92 -11.839 0.525 23.013 1.00 3.33 H new ATOM 0 HB2 SER A 92 -10.586 -0.381 24.901 1.00 73.30 H new ATOM 0 HB3 SER A 92 -11.031 -1.689 23.824 1.00 73.30 H new ATOM 0 HG SER A 92 -8.811 -1.811 24.481 1.00 73.21 H new ATOM 1266 N ASN A 93 -10.011 2.160 24.054 1.00 10.23 N ATOM 1267 CA ASN A 93 -9.211 3.361 24.268 1.00 65.34 C ATOM 1268 C ASN A 93 -9.560 4.437 23.244 1.00 3.12 C ATOM 1269 O ASN A 93 -8.676 5.017 22.612 1.00 30.45 O ATOM 1270 CB ASN A 93 -7.720 3.028 24.186 1.00 32.51 C ATOM 1271 CG ASN A 93 -6.887 3.867 25.135 1.00 22.11 C ATOM 1272 OD1 ASN A 93 -7.400 4.773 25.793 1.00 13.51 O ATOM 1273 ND2 ASN A 93 -5.595 3.569 25.210 1.00 2.42 N ATOM 0 H ASN A 93 -10.635 1.925 24.826 1.00 10.23 H new ATOM 0 HA ASN A 93 -9.436 3.744 25.263 1.00 65.34 H new ATOM 0 HB2 ASN A 93 -7.573 1.972 24.415 1.00 32.51 H new ATOM 0 HB3 ASN A 93 -7.371 3.185 23.165 1.00 32.51 H new ATOM 0 HD21 ASN A 93 -4.985 4.099 25.832 1.00 2.42 H new ATOM 0 HD22 ASN A 93 -5.213 2.810 24.646 1.00 2.42 H new ATOM 1280 N CYS A 94 -10.853 4.698 23.086 1.00 60.15 N ATOM 1281 CA CYS A 94 -11.319 5.705 22.138 1.00 33.20 C ATOM 1282 C CYS A 94 -10.929 7.105 22.598 1.00 43.42 C ATOM 1283 O CYS A 94 -11.610 7.713 23.424 1.00 31.32 O ATOM 1284 CB CYS A 94 -12.836 5.614 21.971 1.00 71.41 C ATOM 1285 SG CYS A 94 -13.449 3.936 21.691 1.00 0.31 S ATOM 0 H CYS A 94 -11.597 4.227 23.601 1.00 60.15 H new ATOM 0 HA CYS A 94 -10.843 5.512 21.177 1.00 33.20 H new ATOM 0 HB2 CYS A 94 -13.314 6.020 22.863 1.00 71.41 H new ATOM 0 HB3 CYS A 94 -13.137 6.244 21.134 1.00 71.41 H new ATOM 0 HG CYS A 94 -13.822 3.811 20.452 1.00 0.31 H new ATOM 1291 N LYS A 95 -9.827 7.615 22.057 1.00 31.23 N ATOM 1292 CA LYS A 95 -9.343 8.944 22.410 1.00 65.24 C ATOM 1293 C LYS A 95 -9.119 9.791 21.162 1.00 1.11 C ATOM 1294 O LYS A 95 -8.307 9.445 20.302 1.00 62.23 O ATOM 1295 CB LYS A 95 -8.043 8.841 23.210 1.00 32.23 C ATOM 1296 CG LYS A 95 -6.944 8.079 22.489 1.00 65.01 C ATOM 1297 CD LYS A 95 -6.525 6.840 23.263 1.00 11.33 C ATOM 1298 CE LYS A 95 -5.389 7.143 24.227 1.00 12.33 C ATOM 1299 NZ LYS A 95 -4.080 6.652 23.713 1.00 51.33 N ATOM 0 H LYS A 95 -9.252 7.126 21.371 1.00 31.23 H new ATOM 0 HA LYS A 95 -10.102 9.428 23.024 1.00 65.24 H new ATOM 0 HB2 LYS A 95 -7.687 9.845 23.440 1.00 32.23 H new ATOM 0 HB3 LYS A 95 -8.250 8.351 24.161 1.00 32.23 H new ATOM 0 HG2 LYS A 95 -7.291 7.790 21.497 1.00 65.01 H new ATOM 0 HG3 LYS A 95 -6.081 8.730 22.347 1.00 65.01 H new ATOM 0 HD2 LYS A 95 -7.379 6.449 23.817 1.00 11.33 H new ATOM 0 HD3 LYS A 95 -6.214 6.062 22.566 1.00 11.33 H new ATOM 0 HE2 LYS A 95 -5.333 8.218 24.396 1.00 12.33 H new ATOM 0 HE3 LYS A 95 -5.598 6.680 25.191 1.00 12.33 H new ATOM 0 HZ1 LYS A 95 -3.331 6.878 24.399 1.00 51.33 H new ATOM 0 HZ2 LYS A 95 -4.125 5.622 23.576 1.00 51.33 H new ATOM 0 HZ3 LYS A 95 -3.869 7.113 22.805 1.00 51.33 H new ATOM 1313 N LEU A 96 -9.843 10.901 21.068 1.00 14.41 N ATOM 1314 CA LEU A 96 -9.721 11.799 19.923 1.00 72.43 C ATOM 1315 C LEU A 96 -9.523 13.241 20.382 1.00 22.32 C ATOM 1316 O LEU A 96 -9.909 13.608 21.491 1.00 12.33 O ATOM 1317 CB LEU A 96 -10.963 11.699 19.038 1.00 22.03 C ATOM 1318 CG LEU A 96 -12.199 12.456 19.526 1.00 1.23 C ATOM 1319 CD1 LEU A 96 -12.537 13.595 18.576 1.00 30.22 C ATOM 1320 CD2 LEU A 96 -13.382 11.510 19.669 1.00 71.42 C ATOM 0 H LEU A 96 -10.520 11.201 21.769 1.00 14.41 H new ATOM 0 HA LEU A 96 -8.847 11.497 19.346 1.00 72.43 H new ATOM 0 HB2 LEU A 96 -10.706 12.065 18.044 1.00 22.03 H new ATOM 0 HB3 LEU A 96 -11.225 10.646 18.932 1.00 22.03 H new ATOM 0 HG LEU A 96 -11.978 12.880 20.505 1.00 1.23 H new ATOM 0 HD11 LEU A 96 -13.419 14.122 18.939 1.00 30.22 H new ATOM 0 HD12 LEU A 96 -11.696 14.287 18.524 1.00 30.22 H new ATOM 0 HD13 LEU A 96 -12.738 13.193 17.583 1.00 30.22 H new ATOM 0 HD21 LEU A 96 -14.252 12.066 20.017 1.00 71.42 H new ATOM 0 HD22 LEU A 96 -13.604 11.056 18.703 1.00 71.42 H new ATOM 0 HD23 LEU A 96 -13.138 10.729 20.389 1.00 71.42 H new ATOM 1332 N ASN A 97 -8.922 14.052 19.519 1.00 44.35 N ATOM 1333 CA ASN A 97 -8.676 15.456 19.834 1.00 21.13 C ATOM 1334 C ASN A 97 -7.706 15.587 21.005 1.00 3.34 C ATOM 1335 O ASN A 97 -7.748 16.564 21.752 1.00 40.45 O ATOM 1336 CB ASN A 97 -9.991 16.165 20.164 1.00 32.22 C ATOM 1337 CG ASN A 97 -9.844 17.674 20.186 1.00 3.31 C ATOM 1338 OD1 ASN A 97 -9.168 18.255 19.337 1.00 42.21 O ATOM 1339 ND2 ASN A 97 -10.479 18.316 21.160 1.00 32.03 N ATOM 0 H ASN A 97 -8.596 13.763 18.597 1.00 44.35 H new ATOM 0 HA ASN A 97 -8.228 15.927 18.959 1.00 21.13 H new ATOM 0 HB2 ASN A 97 -10.745 15.887 19.428 1.00 32.22 H new ATOM 0 HB3 ASN A 97 -10.351 15.824 21.134 1.00 32.22 H new ATOM 0 HD21 ASN A 97 -10.418 19.332 21.226 1.00 32.03 H new ATOM 0 HD22 ASN A 97 -11.028 17.793 21.842 1.00 32.03 H new ATOM 1346 N GLY A 98 -6.833 14.597 21.158 1.00 13.12 N ATOM 1347 CA GLY A 98 -5.865 14.621 22.239 1.00 24.31 C ATOM 1348 C GLY A 98 -6.448 14.132 23.550 1.00 43.33 C ATOM 1349 O GLY A 98 -6.195 14.714 24.604 1.00 42.24 O ATOM 0 H GLY A 98 -6.778 13.778 20.552 1.00 13.12 H new ATOM 0 HA2 GLY A 98 -5.010 14.000 21.971 1.00 24.31 H new ATOM 0 HA3 GLY A 98 -5.493 15.638 22.367 1.00 24.31 H new ATOM 1353 N GLY A 99 -7.233 13.061 23.485 1.00 14.15 N ATOM 1354 CA GLY A 99 -7.842 12.514 24.683 1.00 31.21 C ATOM 1355 C GLY A 99 -9.236 13.057 24.924 1.00 45.24 C ATOM 1356 O GLY A 99 -9.457 13.829 25.857 1.00 73.11 O ATOM 0 H GLY A 99 -7.458 12.563 22.624 1.00 14.15 H new ATOM 0 HA2 GLY A 99 -7.888 11.428 24.600 1.00 31.21 H new ATOM 0 HA3 GLY A 99 -7.213 12.742 25.543 1.00 31.21 H new ATOM 1360 N SER A 100 -10.181 12.656 24.079 1.00 14.15 N ATOM 1361 CA SER A 100 -11.561 13.112 24.201 1.00 13.45 C ATOM 1362 C SER A 100 -12.520 12.122 23.548 1.00 15.34 C ATOM 1363 O SER A 100 -12.298 11.676 22.422 1.00 51.01 O ATOM 1364 CB SER A 100 -11.721 14.493 23.562 1.00 22.03 C ATOM 1365 OG SER A 100 -10.523 15.243 23.659 1.00 62.25 O ATOM 0 H SER A 100 -10.016 12.016 23.302 1.00 14.15 H new ATOM 0 HA SER A 100 -11.804 13.180 25.261 1.00 13.45 H new ATOM 0 HB2 SER A 100 -12.000 14.382 22.514 1.00 22.03 H new ATOM 0 HB3 SER A 100 -12.532 15.032 24.052 1.00 22.03 H new ATOM 0 HG SER A 100 -9.874 14.909 23.005 1.00 62.25 H new ATOM 1371 N CYS A 101 -13.587 11.782 24.263 1.00 52.41 N ATOM 1372 CA CYS A 101 -14.581 10.844 23.755 1.00 71.13 C ATOM 1373 C CYS A 101 -15.706 10.645 24.764 1.00 25.51 C ATOM 1374 O CYS A 101 -15.466 10.265 25.911 1.00 50.40 O ATOM 1375 CB CYS A 101 -13.926 9.500 23.432 1.00 52.43 C ATOM 1376 SG CYS A 101 -14.506 8.747 21.894 1.00 10.32 S ATOM 0 H CYS A 101 -13.786 12.142 25.196 1.00 52.41 H new ATOM 0 HA CYS A 101 -15.006 11.262 22.842 1.00 71.13 H new ATOM 0 HB2 CYS A 101 -12.847 9.639 23.371 1.00 52.43 H new ATOM 0 HB3 CYS A 101 -14.113 8.810 24.255 1.00 52.43 H new ATOM 0 HG CYS A 101 -14.839 7.510 22.115 1.00 10.32 H new