USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 747 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 67 LYS NZ :NH3+ -176:sc= 1.12 (180deg=0) USER MOD Set 1.2: A 68 TYR OH : rot 15:sc= 0.612 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 14 LYS NZ :NH3+ -119:sc= -1.51 (180deg=-3.72!) USER MOD Set 3.2: A 20 HIS : no HD1:sc= -0.894 X(o=-2.4,f=-2.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0931 (180deg=-0.734) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -136:sc= 0 (180deg=-0.0494) USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -0.275 (180deg=-1.08) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 48 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.13) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 176:sc= 0.104 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.6) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0279 (180deg=-0.211) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc=-0.00262 K(o=-0.0026,f=-1.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.014) USER MOD Single : A 86 ASN : amide:sc= -1.9 K(o=-1.9,f=-3.2) USER MOD Single : A 87 ASN : amide:sc= -0.62 K(o=-0.62,f=-5.6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.595 0.950 1.557 1.00 41.04 N ATOM 2 CA MET A 1 2.659 0.217 0.713 1.00 75.31 C ATOM 3 C MET A 1 3.401 -0.684 -0.269 1.00 5.13 C ATOM 4 O MET A 1 3.440 -1.904 -0.102 1.00 53.52 O ATOM 5 CB MET A 1 1.758 1.189 -0.051 1.00 14.34 C ATOM 6 CG MET A 1 0.896 2.056 0.853 1.00 51.32 C ATOM 7 SD MET A 1 -0.584 1.203 1.429 1.00 30.42 S ATOM 8 CE MET A 1 -1.843 2.000 0.436 1.00 73.55 C ATOM 0 H1 MET A 1 3.101 1.295 2.405 1.00 41.04 H new ATOM 0 H2 MET A 1 4.372 0.320 1.841 1.00 41.04 H new ATOM 0 H3 MET A 1 3.980 1.758 1.028 1.00 41.04 H new ATOM 0 HA MET A 1 2.042 -0.409 1.358 1.00 75.31 H new ATOM 0 HB2 MET A 1 2.378 1.833 -0.675 1.00 14.34 H new ATOM 0 HB3 MET A 1 1.112 0.622 -0.721 1.00 14.34 H new ATOM 0 HG2 MET A 1 1.485 2.375 1.713 1.00 51.32 H new ATOM 0 HG3 MET A 1 0.604 2.958 0.315 1.00 51.32 H new ATOM 0 HE1 MET A 1 -2.819 1.579 0.679 1.00 73.55 H new ATOM 0 HE2 MET A 1 -1.848 3.070 0.645 1.00 73.55 H new ATOM 0 HE3 MET A 1 -1.630 1.837 -0.621 1.00 73.55 H new ATOM 18 N THR A 2 3.991 -0.076 -1.293 1.00 42.34 N ATOM 19 CA THR A 2 4.732 -0.823 -2.302 1.00 54.43 C ATOM 20 C THR A 2 6.234 -0.624 -2.140 1.00 63.45 C ATOM 21 O THR A 2 7.031 -1.440 -2.605 1.00 20.00 O ATOM 22 CB THR A 2 4.320 -0.403 -3.726 1.00 43.02 C ATOM 23 OG1 THR A 2 2.905 -0.193 -3.786 1.00 21.34 O ATOM 24 CG2 THR A 2 4.724 -1.462 -4.740 1.00 61.44 C ATOM 0 H THR A 2 3.970 0.932 -1.446 1.00 42.34 H new ATOM 0 HA THR A 2 4.490 -1.876 -2.157 1.00 54.43 H new ATOM 0 HB THR A 2 4.835 0.526 -3.970 1.00 43.02 H new ATOM 0 HG1 THR A 2 2.652 0.075 -4.694 1.00 21.34 H new ATOM 0 HG21 THR A 2 4.423 -1.144 -5.738 1.00 61.44 H new ATOM 0 HG22 THR A 2 5.805 -1.598 -4.713 1.00 61.44 H new ATOM 0 HG23 THR A 2 4.234 -2.405 -4.497 1.00 61.44 H new ATOM 32 N ARG A 3 6.615 0.463 -1.479 1.00 2.24 N ATOM 33 CA ARG A 3 8.023 0.768 -1.256 1.00 44.31 C ATOM 34 C ARG A 3 8.357 0.739 0.233 1.00 43.54 C ATOM 35 O ARG A 3 7.470 0.602 1.075 1.00 24.43 O ATOM 36 CB ARG A 3 8.369 2.139 -1.841 1.00 12.13 C ATOM 37 CG ARG A 3 7.280 3.180 -1.636 1.00 44.23 C ATOM 38 CD ARG A 3 7.087 3.502 -0.163 1.00 2.23 C ATOM 39 NE ARG A 3 6.229 4.667 0.035 1.00 4.51 N ATOM 40 CZ ARG A 3 6.650 5.921 -0.098 1.00 74.54 C ATOM 41 NH1 ARG A 3 7.909 6.169 -0.429 1.00 4.24 N ATOM 42 NH2 ARG A 3 5.809 6.928 0.098 1.00 12.11 N ATOM 0 H ARG A 3 5.968 1.148 -1.088 1.00 2.24 H new ATOM 0 HA ARG A 3 8.618 0.005 -1.759 1.00 44.31 H new ATOM 0 HB2 ARG A 3 9.292 2.497 -1.386 1.00 12.13 H new ATOM 0 HB3 ARG A 3 8.561 2.031 -2.909 1.00 12.13 H new ATOM 0 HG2 ARG A 3 7.539 4.090 -2.178 1.00 44.23 H new ATOM 0 HG3 ARG A 3 6.343 2.815 -2.056 1.00 44.23 H new ATOM 0 HD2 ARG A 3 6.651 2.640 0.342 1.00 2.23 H new ATOM 0 HD3 ARG A 3 8.058 3.684 0.298 1.00 2.23 H new ATOM 0 HE ARG A 3 5.254 4.510 0.289 1.00 4.51 H new ATOM 0 HH11 ARG A 3 8.558 5.397 -0.582 1.00 4.24 H new ATOM 0 HH12 ARG A 3 8.229 7.132 -0.530 1.00 4.24 H new ATOM 0 HH21 ARG A 3 4.839 6.740 0.351 1.00 12.11 H new ATOM 0 HH22 ARG A 3 6.133 7.890 -0.004 1.00 12.11 H new ATOM 56 N ASP A 4 9.641 0.870 0.548 1.00 20.21 N ATOM 57 CA ASP A 4 10.092 0.859 1.935 1.00 44.32 C ATOM 58 C ASP A 4 9.707 2.155 2.642 1.00 72.04 C ATOM 59 O ASP A 4 9.495 3.185 2.001 1.00 64.22 O ATOM 60 CB ASP A 4 11.608 0.660 1.999 1.00 54.42 C ATOM 61 CG ASP A 4 12.065 0.129 3.343 1.00 64.33 C ATOM 62 OD1 ASP A 4 11.200 -0.271 4.149 1.00 34.22 O ATOM 63 OD2 ASP A 4 13.290 0.112 3.588 1.00 73.44 O ATOM 0 H ASP A 4 10.387 0.985 -0.138 1.00 20.21 H new ATOM 0 HA ASP A 4 9.602 0.029 2.444 1.00 44.32 H new ATOM 0 HB2 ASP A 4 11.914 -0.032 1.215 1.00 54.42 H new ATOM 0 HB3 ASP A 4 12.105 1.609 1.798 1.00 54.42 H new ATOM 68 N PHE A 5 9.616 2.096 3.966 1.00 11.01 N ATOM 69 CA PHE A 5 9.253 3.264 4.760 1.00 4.13 C ATOM 70 C PHE A 5 10.493 3.914 5.369 1.00 33.43 C ATOM 71 O PHE A 5 11.614 3.447 5.170 1.00 64.05 O ATOM 72 CB PHE A 5 8.274 2.870 5.868 1.00 52.33 C ATOM 73 CG PHE A 5 6.832 2.990 5.463 1.00 22.32 C ATOM 74 CD1 PHE A 5 6.190 1.943 4.821 1.00 22.13 C ATOM 75 CD2 PHE A 5 6.119 4.148 5.725 1.00 0.22 C ATOM 76 CE1 PHE A 5 4.864 2.051 4.447 1.00 21.43 C ATOM 77 CE2 PHE A 5 4.792 4.262 5.354 1.00 64.50 C ATOM 78 CZ PHE A 5 4.164 3.211 4.715 1.00 30.31 C ATOM 0 H PHE A 5 9.789 1.252 4.512 1.00 11.01 H new ATOM 0 HA PHE A 5 8.772 3.986 4.100 1.00 4.13 H new ATOM 0 HB2 PHE A 5 8.474 1.842 6.170 1.00 52.33 H new ATOM 0 HB3 PHE A 5 8.452 3.499 6.740 1.00 52.33 H new ATOM 0 HD1 PHE A 5 6.732 1.033 4.611 1.00 22.13 H new ATOM 0 HD2 PHE A 5 6.606 4.972 6.225 1.00 0.22 H new ATOM 0 HE1 PHE A 5 4.375 1.229 3.945 1.00 21.43 H new ATOM 0 HE2 PHE A 5 4.248 5.171 5.563 1.00 64.50 H new ATOM 0 HZ PHE A 5 3.127 3.296 4.425 1.00 30.31 H new ATOM 88 N LYS A 6 10.282 4.994 6.113 1.00 12.21 N ATOM 89 CA LYS A 6 11.380 5.709 6.753 1.00 53.30 C ATOM 90 C LYS A 6 11.476 5.347 8.232 1.00 43.34 C ATOM 91 O LYS A 6 10.518 4.874 8.843 1.00 4.25 O ATOM 92 CB LYS A 6 11.190 7.220 6.598 1.00 24.02 C ATOM 93 CG LYS A 6 11.658 7.757 5.257 1.00 44.32 C ATOM 94 CD LYS A 6 13.153 8.029 5.256 1.00 44.11 C ATOM 95 CE LYS A 6 13.504 9.220 6.134 1.00 11.42 C ATOM 96 NZ LYS A 6 14.939 9.597 6.011 1.00 25.23 N ATOM 0 H LYS A 6 9.360 5.394 6.288 1.00 12.21 H new ATOM 0 HA LYS A 6 12.308 5.413 6.264 1.00 53.30 H new ATOM 0 HB2 LYS A 6 10.135 7.460 6.728 1.00 24.02 H new ATOM 0 HB3 LYS A 6 11.733 7.730 7.394 1.00 24.02 H new ATOM 0 HG2 LYS A 6 11.417 7.039 4.473 1.00 44.32 H new ATOM 0 HG3 LYS A 6 11.120 8.676 5.024 1.00 44.32 H new ATOM 0 HD2 LYS A 6 13.685 7.146 5.610 1.00 44.11 H new ATOM 0 HD3 LYS A 6 13.489 8.216 4.236 1.00 44.11 H new ATOM 0 HE2 LYS A 6 12.880 10.070 5.858 1.00 11.42 H new ATOM 0 HE3 LYS A 6 13.279 8.983 7.174 1.00 11.42 H new ATOM 0 HZ1 LYS A 6 15.138 10.413 6.625 1.00 25.23 H new ATOM 0 HZ2 LYS A 6 15.535 8.794 6.298 1.00 25.23 H new ATOM 0 HZ3 LYS A 6 15.149 9.848 5.024 1.00 25.23 H new ATOM 110 N PRO A 7 12.659 5.575 8.821 1.00 2.24 N ATOM 111 CA PRO A 7 12.908 5.282 10.236 1.00 50.00 C ATOM 112 C PRO A 7 12.152 6.226 11.165 1.00 21.42 C ATOM 113 O PRO A 7 12.295 7.444 11.078 1.00 11.51 O ATOM 114 CB PRO A 7 14.418 5.486 10.380 1.00 22.42 C ATOM 115 CG PRO A 7 14.777 6.439 9.293 1.00 25.12 C ATOM 116 CD PRO A 7 13.845 6.137 8.153 1.00 52.31 C ATOM 0 HA PRO A 7 12.571 4.282 10.511 1.00 50.00 H new ATOM 0 HB2 PRO A 7 14.671 5.890 11.360 1.00 22.42 H new ATOM 0 HB3 PRO A 7 14.957 4.544 10.275 1.00 22.42 H new ATOM 0 HG2 PRO A 7 14.665 7.471 9.626 1.00 25.12 H new ATOM 0 HG3 PRO A 7 15.817 6.313 8.991 1.00 25.12 H new ATOM 0 HD2 PRO A 7 13.599 7.035 7.586 1.00 52.31 H new ATOM 0 HD3 PRO A 7 14.285 5.428 7.452 1.00 52.31 H new ATOM 124 N GLY A 8 11.347 5.653 12.056 1.00 43.44 N ATOM 125 CA GLY A 8 10.581 6.459 12.989 1.00 62.15 C ATOM 126 C GLY A 8 9.273 6.945 12.396 1.00 3.34 C ATOM 127 O GLY A 8 8.735 7.968 12.820 1.00 13.10 O ATOM 0 H GLY A 8 11.212 4.646 12.148 1.00 43.44 H new ATOM 0 HA2 GLY A 8 10.375 5.874 13.886 1.00 62.15 H new ATOM 0 HA3 GLY A 8 11.178 7.317 13.298 1.00 62.15 H new ATOM 131 N ASP A 9 8.762 6.212 11.413 1.00 1.55 N ATOM 132 CA ASP A 9 7.509 6.575 10.761 1.00 2.33 C ATOM 133 C ASP A 9 6.322 5.929 11.468 1.00 73.22 C ATOM 134 O ASP A 9 6.416 4.803 11.959 1.00 14.23 O ATOM 135 CB ASP A 9 7.534 6.155 9.291 1.00 64.20 C ATOM 136 CG ASP A 9 7.984 7.277 8.376 1.00 73.44 C ATOM 137 OD1 ASP A 9 8.851 8.071 8.794 1.00 43.34 O ATOM 138 OD2 ASP A 9 7.467 7.360 7.241 1.00 1.55 O ATOM 0 H ASP A 9 9.196 5.363 11.050 1.00 1.55 H new ATOM 0 HA ASP A 9 7.398 7.658 10.819 1.00 2.33 H new ATOM 0 HB2 ASP A 9 8.202 5.302 9.171 1.00 64.20 H new ATOM 0 HB3 ASP A 9 6.539 5.825 8.994 1.00 64.20 H new ATOM 143 N LEU A 10 5.206 6.648 11.516 1.00 33.31 N ATOM 144 CA LEU A 10 3.999 6.145 12.164 1.00 61.13 C ATOM 145 C LEU A 10 3.162 5.321 11.190 1.00 14.44 C ATOM 146 O LEU A 10 2.620 5.852 10.220 1.00 64.43 O ATOM 147 CB LEU A 10 3.169 7.307 12.712 1.00 31.21 C ATOM 148 CG LEU A 10 3.894 8.259 13.663 1.00 11.54 C ATOM 149 CD1 LEU A 10 4.803 7.485 14.605 1.00 73.52 C ATOM 150 CD2 LEU A 10 4.691 9.292 12.879 1.00 32.14 C ATOM 0 H LEU A 10 5.111 7.581 11.114 1.00 33.31 H new ATOM 0 HA LEU A 10 4.300 5.501 12.990 1.00 61.13 H new ATOM 0 HB2 LEU A 10 2.790 7.886 11.870 1.00 31.21 H new ATOM 0 HB3 LEU A 10 2.303 6.896 13.231 1.00 31.21 H new ATOM 0 HG LEU A 10 3.147 8.782 14.261 1.00 11.54 H new ATOM 0 HD11 LEU A 10 5.310 8.180 15.274 1.00 73.52 H new ATOM 0 HD12 LEU A 10 4.208 6.785 15.192 1.00 73.52 H new ATOM 0 HD13 LEU A 10 5.543 6.934 14.025 1.00 73.52 H new ATOM 0 HD21 LEU A 10 5.200 9.961 13.572 1.00 32.14 H new ATOM 0 HD22 LEU A 10 5.428 8.786 12.255 1.00 32.14 H new ATOM 0 HD23 LEU A 10 4.016 9.869 12.247 1.00 32.14 H new ATOM 162 N ILE A 11 3.058 4.024 11.458 1.00 12.23 N ATOM 163 CA ILE A 11 2.283 3.129 10.608 1.00 23.31 C ATOM 164 C ILE A 11 1.716 1.963 11.410 1.00 30.35 C ATOM 165 O ILE A 11 2.344 1.479 12.353 1.00 42.44 O ATOM 166 CB ILE A 11 3.135 2.575 9.451 1.00 61.53 C ATOM 167 CG1 ILE A 11 4.363 1.842 9.997 1.00 15.51 C ATOM 168 CG2 ILE A 11 3.555 3.699 8.516 1.00 12.32 C ATOM 169 CD1 ILE A 11 4.181 0.344 10.090 1.00 74.44 C ATOM 0 H ILE A 11 3.501 3.570 12.257 1.00 12.23 H new ATOM 0 HA ILE A 11 1.462 3.716 10.196 1.00 23.31 H new ATOM 0 HB ILE A 11 2.533 1.864 8.885 1.00 61.53 H new ATOM 0 HG12 ILE A 11 5.219 2.057 9.357 1.00 15.51 H new ATOM 0 HG13 ILE A 11 4.599 2.233 10.987 1.00 15.51 H new ATOM 0 HG21 ILE A 11 4.156 3.291 7.704 1.00 12.32 H new ATOM 0 HG22 ILE A 11 2.668 4.180 8.104 1.00 12.32 H new ATOM 0 HG23 ILE A 11 4.142 4.432 9.069 1.00 12.32 H new ATOM 0 HD11 ILE A 11 5.090 -0.109 10.485 1.00 74.44 H new ATOM 0 HD12 ILE A 11 3.346 0.119 10.754 1.00 74.44 H new ATOM 0 HD13 ILE A 11 3.975 -0.060 9.099 1.00 74.44 H new ATOM 181 N PHE A 12 0.525 1.514 11.030 1.00 75.22 N ATOM 182 CA PHE A 12 -0.128 0.403 11.713 1.00 10.11 C ATOM 183 C PHE A 12 0.406 -0.935 11.209 1.00 13.32 C ATOM 184 O PHE A 12 0.248 -1.276 10.038 1.00 71.34 O ATOM 185 CB PHE A 12 -1.643 0.470 11.509 1.00 41.12 C ATOM 186 CG PHE A 12 -2.359 1.236 12.584 1.00 55.10 C ATOM 187 CD1 PHE A 12 -1.853 2.438 13.051 1.00 12.30 C ATOM 188 CD2 PHE A 12 -3.539 0.754 13.127 1.00 15.21 C ATOM 189 CE1 PHE A 12 -2.510 3.145 14.041 1.00 72.42 C ATOM 190 CE2 PHE A 12 -4.201 1.456 14.117 1.00 52.41 C ATOM 191 CZ PHE A 12 -3.686 2.654 14.574 1.00 73.35 C ATOM 0 H PHE A 12 -0.008 1.902 10.252 1.00 75.22 H new ATOM 0 HA PHE A 12 0.092 0.484 12.777 1.00 10.11 H new ATOM 0 HB2 PHE A 12 -1.852 0.932 10.544 1.00 41.12 H new ATOM 0 HB3 PHE A 12 -2.041 -0.544 11.469 1.00 41.12 H new ATOM 0 HD1 PHE A 12 -0.935 2.827 12.637 1.00 12.30 H new ATOM 0 HD2 PHE A 12 -3.947 -0.181 12.773 1.00 15.21 H new ATOM 0 HE1 PHE A 12 -2.104 4.080 14.397 1.00 72.42 H new ATOM 0 HE2 PHE A 12 -5.119 1.069 14.533 1.00 52.41 H new ATOM 0 HZ PHE A 12 -4.202 3.205 15.346 1.00 73.35 H new ATOM 201 N ALA A 13 1.039 -1.687 12.103 1.00 33.04 N ATOM 202 CA ALA A 13 1.595 -2.987 11.751 1.00 73.51 C ATOM 203 C ALA A 13 0.508 -4.057 11.711 1.00 2.35 C ATOM 204 O ALA A 13 -0.283 -4.188 12.646 1.00 51.54 O ATOM 205 CB ALA A 13 2.687 -3.379 12.735 1.00 43.41 C ATOM 0 H ALA A 13 1.179 -1.418 13.077 1.00 33.04 H new ATOM 0 HA ALA A 13 2.030 -2.910 10.754 1.00 73.51 H new ATOM 0 HB1 ALA A 13 3.093 -4.352 12.459 1.00 43.41 H new ATOM 0 HB2 ALA A 13 3.482 -2.634 12.711 1.00 43.41 H new ATOM 0 HB3 ALA A 13 2.269 -3.432 13.740 1.00 43.41 H new ATOM 211 N LYS A 14 0.474 -4.820 10.624 1.00 5.51 N ATOM 212 CA LYS A 14 -0.515 -5.878 10.462 1.00 24.41 C ATOM 213 C LYS A 14 0.154 -7.249 10.443 1.00 20.34 C ATOM 214 O LYS A 14 0.785 -7.629 9.457 1.00 12.13 O ATOM 215 CB LYS A 14 -1.309 -5.669 9.171 1.00 33.21 C ATOM 216 CG LYS A 14 -2.401 -6.703 8.954 1.00 1.24 C ATOM 217 CD LYS A 14 -3.348 -6.770 10.141 1.00 71.44 C ATOM 218 CE LYS A 14 -4.670 -7.420 9.762 1.00 72.12 C ATOM 219 NZ LYS A 14 -5.815 -6.819 10.501 1.00 72.44 N ATOM 0 H LYS A 14 1.121 -4.725 9.841 1.00 5.51 H new ATOM 0 HA LYS A 14 -1.197 -5.837 11.311 1.00 24.41 H new ATOM 0 HB2 LYS A 14 -1.759 -4.676 9.188 1.00 33.21 H new ATOM 0 HB3 LYS A 14 -0.623 -5.694 8.324 1.00 33.21 H new ATOM 0 HG2 LYS A 14 -2.962 -6.457 8.053 1.00 1.24 H new ATOM 0 HG3 LYS A 14 -1.950 -7.682 8.791 1.00 1.24 H new ATOM 0 HD2 LYS A 14 -2.882 -7.335 10.949 1.00 71.44 H new ATOM 0 HD3 LYS A 14 -3.531 -5.764 10.519 1.00 71.44 H new ATOM 0 HE2 LYS A 14 -4.833 -7.313 8.690 1.00 72.12 H new ATOM 0 HE3 LYS A 14 -4.623 -8.489 9.972 1.00 72.12 H new ATOM 0 HZ1 LYS A 14 -6.277 -7.550 11.079 1.00 72.44 H new ATOM 0 HZ2 LYS A 14 -5.468 -6.058 11.119 1.00 72.44 H new ATOM 0 HZ3 LYS A 14 -6.500 -6.429 9.822 1.00 72.44 H new ATOM 233 N MET A 15 0.010 -7.988 11.539 1.00 42.20 N ATOM 234 CA MET A 15 0.599 -9.318 11.646 1.00 15.11 C ATOM 235 C MET A 15 -0.367 -10.382 11.134 1.00 20.24 C ATOM 236 O MET A 15 -1.555 -10.364 11.457 1.00 20.43 O ATOM 237 CB MET A 15 0.980 -9.615 13.098 1.00 44.54 C ATOM 238 CG MET A 15 2.410 -9.227 13.441 1.00 34.23 C ATOM 239 SD MET A 15 2.980 -9.973 14.980 1.00 23.05 S ATOM 240 CE MET A 15 3.347 -11.639 14.434 1.00 44.31 C ATOM 0 H MET A 15 -0.509 -7.689 12.364 1.00 42.20 H new ATOM 0 HA MET A 15 1.498 -9.341 11.030 1.00 15.11 H new ATOM 0 HB2 MET A 15 0.298 -9.082 13.761 1.00 44.54 H new ATOM 0 HB3 MET A 15 0.844 -10.679 13.291 1.00 44.54 H new ATOM 0 HG2 MET A 15 3.070 -9.530 12.628 1.00 34.23 H new ATOM 0 HG3 MET A 15 2.479 -8.142 13.520 1.00 34.23 H new ATOM 0 HE1 MET A 15 2.961 -12.353 15.161 1.00 44.31 H new ATOM 0 HE2 MET A 15 2.877 -11.817 13.467 1.00 44.31 H new ATOM 0 HE3 MET A 15 4.426 -11.762 14.341 1.00 44.31 H new ATOM 250 N LYS A 16 0.150 -11.308 10.334 1.00 23.34 N ATOM 251 CA LYS A 16 -0.665 -12.382 9.778 1.00 10.42 C ATOM 252 C LYS A 16 -1.427 -13.113 10.879 1.00 2.42 C ATOM 253 O LYS A 16 -0.834 -13.818 11.694 1.00 0.04 O ATOM 254 CB LYS A 16 0.213 -13.370 9.008 1.00 22.41 C ATOM 255 CG LYS A 16 0.880 -12.767 7.784 1.00 14.51 C ATOM 256 CD LYS A 16 -0.053 -12.767 6.584 1.00 2.13 C ATOM 257 CE LYS A 16 0.094 -14.040 5.765 1.00 41.33 C ATOM 258 NZ LYS A 16 -0.679 -15.169 6.351 1.00 71.41 N ATOM 0 H LYS A 16 1.131 -11.336 10.056 1.00 23.34 H new ATOM 0 HA LYS A 16 -1.388 -11.938 9.093 1.00 10.42 H new ATOM 0 HB2 LYS A 16 0.982 -13.757 9.677 1.00 22.41 H new ATOM 0 HB3 LYS A 16 -0.396 -14.219 8.698 1.00 22.41 H new ATOM 0 HG2 LYS A 16 1.191 -11.746 8.004 1.00 14.51 H new ATOM 0 HG3 LYS A 16 1.782 -13.331 7.545 1.00 14.51 H new ATOM 0 HD2 LYS A 16 -1.084 -12.668 6.923 1.00 2.13 H new ATOM 0 HD3 LYS A 16 0.160 -11.902 5.956 1.00 2.13 H new ATOM 0 HE2 LYS A 16 -0.246 -13.857 4.746 1.00 41.33 H new ATOM 0 HE3 LYS A 16 1.147 -14.314 5.705 1.00 41.33 H new ATOM 0 HZ1 LYS A 16 -0.896 -15.864 5.608 1.00 71.41 H new ATOM 0 HZ2 LYS A 16 -0.116 -15.625 7.097 1.00 71.41 H new ATOM 0 HZ3 LYS A 16 -1.566 -14.808 6.758 1.00 71.41 H new ATOM 272 N GLY A 17 -2.745 -12.940 10.896 1.00 51.04 N ATOM 273 CA GLY A 17 -3.566 -13.591 11.900 1.00 40.21 C ATOM 274 C GLY A 17 -3.840 -12.697 13.093 1.00 22.12 C ATOM 275 O GLY A 17 -4.220 -13.176 14.162 1.00 51.21 O ATOM 0 H GLY A 17 -3.259 -12.361 10.232 1.00 51.04 H new ATOM 0 HA2 GLY A 17 -4.512 -13.893 11.451 1.00 40.21 H new ATOM 0 HA3 GLY A 17 -3.069 -14.500 12.238 1.00 40.21 H new ATOM 279 N TYR A 18 -3.645 -11.396 12.912 1.00 3.44 N ATOM 280 CA TYR A 18 -3.869 -10.433 13.984 1.00 32.04 C ATOM 281 C TYR A 18 -4.353 -9.098 13.426 1.00 61.44 C ATOM 282 O TYR A 18 -4.070 -8.735 12.284 1.00 52.12 O ATOM 283 CB TYR A 18 -2.585 -10.226 14.790 1.00 72.24 C ATOM 284 CG TYR A 18 -1.914 -11.517 15.201 1.00 64.15 C ATOM 285 CD1 TYR A 18 -1.036 -12.170 14.344 1.00 43.55 C ATOM 286 CD2 TYR A 18 -2.158 -12.085 16.445 1.00 45.21 C ATOM 287 CE1 TYR A 18 -0.420 -13.349 14.714 1.00 32.52 C ATOM 288 CE2 TYR A 18 -1.545 -13.264 16.825 1.00 54.55 C ATOM 289 CZ TYR A 18 -0.678 -13.892 15.956 1.00 61.22 C ATOM 290 OH TYR A 18 -0.067 -15.067 16.330 1.00 73.32 O ATOM 0 H TYR A 18 -3.332 -10.984 12.033 1.00 3.44 H new ATOM 0 HA TYR A 18 -4.642 -10.833 14.641 1.00 32.04 H new ATOM 0 HB2 TYR A 18 -1.886 -9.635 14.198 1.00 72.24 H new ATOM 0 HB3 TYR A 18 -2.816 -9.646 15.683 1.00 72.24 H new ATOM 0 HD1 TYR A 18 -0.832 -11.748 13.371 1.00 43.55 H new ATOM 0 HD2 TYR A 18 -2.838 -11.597 17.127 1.00 45.21 H new ATOM 0 HE1 TYR A 18 0.260 -13.843 14.035 1.00 32.52 H new ATOM 0 HE2 TYR A 18 -1.744 -13.691 17.797 1.00 54.55 H new ATOM 0 HH TYR A 18 -0.355 -15.312 17.234 1.00 73.32 H new ATOM 300 N PRO A 19 -5.100 -8.349 14.250 1.00 73.22 N ATOM 301 CA PRO A 19 -5.639 -7.042 13.862 1.00 60.34 C ATOM 302 C PRO A 19 -4.550 -5.983 13.727 1.00 32.23 C ATOM 303 O PRO A 19 -3.387 -6.231 14.045 1.00 5.24 O ATOM 304 CB PRO A 19 -6.586 -6.693 15.012 1.00 2.14 C ATOM 305 CG PRO A 19 -6.057 -7.449 16.181 1.00 25.55 C ATOM 306 CD PRO A 19 -5.477 -8.720 15.624 1.00 24.03 C ATOM 0 HA PRO A 19 -6.125 -7.075 12.887 1.00 60.34 H new ATOM 0 HB2 PRO A 19 -6.595 -5.620 15.206 1.00 2.14 H new ATOM 0 HB3 PRO A 19 -7.611 -6.984 14.783 1.00 2.14 H new ATOM 0 HG2 PRO A 19 -5.297 -6.871 16.708 1.00 25.55 H new ATOM 0 HG3 PRO A 19 -6.849 -7.663 16.898 1.00 25.55 H new ATOM 0 HD2 PRO A 19 -4.615 -9.055 16.201 1.00 24.03 H new ATOM 0 HD3 PRO A 19 -6.204 -9.532 15.636 1.00 24.03 H new ATOM 314 N HIS A 20 -4.935 -4.802 13.255 1.00 51.13 N ATOM 315 CA HIS A 20 -3.991 -3.704 13.080 1.00 62.05 C ATOM 316 C HIS A 20 -3.593 -3.110 14.427 1.00 2.51 C ATOM 317 O HIS A 20 -4.379 -3.114 15.375 1.00 63.15 O ATOM 318 CB HIS A 20 -4.597 -2.619 12.189 1.00 14.14 C ATOM 319 CG HIS A 20 -5.373 -3.161 11.029 1.00 53.24 C ATOM 320 ND1 HIS A 20 -4.775 -3.690 9.905 1.00 41.24 N ATOM 321 CD2 HIS A 20 -6.708 -3.255 10.822 1.00 23.24 C ATOM 322 CE1 HIS A 20 -5.708 -4.085 9.056 1.00 3.44 C ATOM 323 NE2 HIS A 20 -6.889 -3.832 9.590 1.00 75.43 N ATOM 0 H HIS A 20 -5.894 -4.581 12.987 1.00 51.13 H new ATOM 0 HA HIS A 20 -3.096 -4.100 12.599 1.00 62.05 H new ATOM 0 HB2 HIS A 20 -5.252 -1.990 12.791 1.00 14.14 H new ATOM 0 HB3 HIS A 20 -3.798 -1.980 11.814 1.00 14.14 H new ATOM 0 HD2 HIS A 20 -7.485 -2.935 11.500 1.00 23.24 H new ATOM 0 HE1 HIS A 20 -5.534 -4.537 8.091 1.00 3.44 H new ATOM 0 HE2 HIS A 20 -7.790 -4.033 9.157 1.00 75.43 H new ATOM 331 N TRP A 21 -2.369 -2.600 14.505 1.00 61.12 N ATOM 332 CA TRP A 21 -1.867 -2.003 15.737 1.00 3.21 C ATOM 333 C TRP A 21 -0.889 -0.873 15.435 1.00 2.31 C ATOM 334 O TRP A 21 -0.054 -0.966 14.535 1.00 70.11 O ATOM 335 CB TRP A 21 -1.187 -3.065 16.603 1.00 45.25 C ATOM 336 CG TRP A 21 -0.595 -2.513 17.864 1.00 31.14 C ATOM 337 CD1 TRP A 21 0.588 -1.843 17.990 1.00 1.13 C ATOM 338 CD2 TRP A 21 -1.159 -2.587 19.178 1.00 2.55 C ATOM 339 NE1 TRP A 21 0.794 -1.495 19.304 1.00 70.14 N ATOM 340 CE2 TRP A 21 -0.264 -1.939 20.052 1.00 24.04 C ATOM 341 CE3 TRP A 21 -2.333 -3.134 19.702 1.00 72.14 C ATOM 342 CZ2 TRP A 21 -0.508 -1.827 21.419 1.00 43.04 C ATOM 343 CZ3 TRP A 21 -2.574 -3.022 21.058 1.00 63.32 C ATOM 344 CH2 TRP A 21 -1.665 -2.372 21.904 1.00 72.43 C ATOM 0 H TRP A 21 -1.706 -2.588 13.730 1.00 61.12 H new ATOM 0 HA TRP A 21 -2.715 -1.589 16.282 1.00 3.21 H new ATOM 0 HB2 TRP A 21 -1.914 -3.835 16.859 1.00 45.25 H new ATOM 0 HB3 TRP A 21 -0.401 -3.548 16.022 1.00 45.25 H new ATOM 0 HD1 TRP A 21 1.263 -1.619 17.177 1.00 1.13 H new ATOM 0 HE1 TRP A 21 1.603 -0.989 19.663 1.00 70.14 H new ATOM 0 HE3 TRP A 21 -3.040 -3.636 19.058 1.00 72.14 H new ATOM 0 HZ2 TRP A 21 0.192 -1.327 22.073 1.00 43.04 H new ATOM 0 HZ3 TRP A 21 -3.478 -3.442 21.473 1.00 63.32 H new ATOM 0 HH2 TRP A 21 -1.882 -2.300 22.959 1.00 72.43 H new ATOM 355 N PRO A 22 -0.992 0.222 16.204 1.00 63.33 N ATOM 356 CA PRO A 22 -0.123 1.391 16.037 1.00 70.30 C ATOM 357 C PRO A 22 1.315 1.109 16.460 1.00 52.54 C ATOM 358 O PRO A 22 1.587 0.846 17.630 1.00 3.34 O ATOM 359 CB PRO A 22 -0.756 2.437 16.957 1.00 0.25 C ATOM 360 CG PRO A 22 -1.480 1.645 17.990 1.00 32.33 C ATOM 361 CD PRO A 22 -1.964 0.402 17.295 1.00 4.01 C ATOM 0 HA PRO A 22 -0.056 1.704 14.995 1.00 70.30 H new ATOM 0 HB2 PRO A 22 0.002 3.077 17.408 1.00 0.25 H new ATOM 0 HB3 PRO A 22 -1.437 3.087 16.408 1.00 0.25 H new ATOM 0 HG2 PRO A 22 -0.822 1.396 18.823 1.00 32.33 H new ATOM 0 HG3 PRO A 22 -2.315 2.212 18.402 1.00 32.33 H new ATOM 0 HD2 PRO A 22 -1.977 -0.456 17.968 1.00 4.01 H new ATOM 0 HD3 PRO A 22 -2.978 0.523 16.914 1.00 4.01 H new ATOM 369 N ALA A 23 2.231 1.167 15.499 1.00 42.42 N ATOM 370 CA ALA A 23 3.642 0.921 15.772 1.00 14.35 C ATOM 371 C ALA A 23 4.528 1.892 15.000 1.00 2.43 C ATOM 372 O ALA A 23 4.035 2.795 14.324 1.00 35.11 O ATOM 373 CB ALA A 23 4.003 -0.516 15.427 1.00 4.40 C ATOM 0 H ALA A 23 2.021 1.382 14.524 1.00 42.42 H new ATOM 0 HA ALA A 23 3.815 1.082 16.836 1.00 14.35 H new ATOM 0 HB1 ALA A 23 5.059 -0.686 15.636 1.00 4.40 H new ATOM 0 HB2 ALA A 23 3.400 -1.197 16.028 1.00 4.40 H new ATOM 0 HB3 ALA A 23 3.808 -0.696 14.370 1.00 4.40 H new ATOM 379 N ARG A 24 5.839 1.701 15.106 1.00 2.51 N ATOM 380 CA ARG A 24 6.794 2.562 14.419 1.00 45.11 C ATOM 381 C ARG A 24 7.794 1.734 13.617 1.00 72.41 C ATOM 382 O ARG A 24 7.860 0.513 13.759 1.00 33.53 O ATOM 383 CB ARG A 24 7.537 3.442 15.426 1.00 23.23 C ATOM 384 CG ARG A 24 8.357 2.654 16.435 1.00 64.34 C ATOM 385 CD ARG A 24 9.802 2.504 15.983 1.00 74.23 C ATOM 386 NE ARG A 24 10.623 3.641 16.388 1.00 12.40 N ATOM 387 CZ ARG A 24 11.951 3.631 16.373 1.00 1.20 C ATOM 388 NH1 ARG A 24 12.605 2.549 15.975 1.00 74.35 N ATOM 389 NH2 ARG A 24 12.628 4.706 16.757 1.00 63.13 N ATOM 0 H ARG A 24 6.264 0.958 15.661 1.00 2.51 H new ATOM 0 HA ARG A 24 6.239 3.199 13.730 1.00 45.11 H new ATOM 0 HB2 ARG A 24 8.197 4.121 14.885 1.00 23.23 H new ATOM 0 HB3 ARG A 24 6.814 4.058 15.960 1.00 23.23 H new ATOM 0 HG2 ARG A 24 8.327 3.157 17.402 1.00 64.34 H new ATOM 0 HG3 ARG A 24 7.914 1.668 16.575 1.00 64.34 H new ATOM 0 HD2 ARG A 24 10.219 1.588 16.402 1.00 74.23 H new ATOM 0 HD3 ARG A 24 9.834 2.402 14.898 1.00 74.23 H new ATOM 0 HE ARG A 24 10.151 4.490 16.700 1.00 12.40 H new ATOM 0 HH11 ARG A 24 12.088 1.721 15.679 1.00 74.35 H new ATOM 0 HH12 ARG A 24 13.625 2.545 15.965 1.00 74.35 H new ATOM 0 HH21 ARG A 24 12.128 5.541 17.064 1.00 63.13 H new ATOM 0 HH22 ARG A 24 13.648 4.698 16.745 1.00 63.13 H new ATOM 403 N VAL A 25 8.570 2.406 12.773 1.00 51.11 N ATOM 404 CA VAL A 25 9.566 1.733 11.948 1.00 22.34 C ATOM 405 C VAL A 25 10.971 1.944 12.501 1.00 1.25 C ATOM 406 O VAL A 25 11.325 3.046 12.920 1.00 10.53 O ATOM 407 CB VAL A 25 9.519 2.231 10.492 1.00 43.41 C ATOM 408 CG1 VAL A 25 10.530 1.482 9.638 1.00 61.52 C ATOM 409 CG2 VAL A 25 8.116 2.085 9.924 1.00 72.41 C ATOM 0 H VAL A 25 8.528 3.417 12.643 1.00 51.11 H new ATOM 0 HA VAL A 25 9.327 0.670 11.968 1.00 22.34 H new ATOM 0 HB VAL A 25 9.783 3.289 10.480 1.00 43.41 H new ATOM 0 HG11 VAL A 25 10.482 1.848 8.612 1.00 61.52 H new ATOM 0 HG12 VAL A 25 11.532 1.644 10.034 1.00 61.52 H new ATOM 0 HG13 VAL A 25 10.301 0.416 9.654 1.00 61.52 H new ATOM 0 HG21 VAL A 25 8.101 2.442 8.894 1.00 72.41 H new ATOM 0 HG22 VAL A 25 7.821 1.036 9.949 1.00 72.41 H new ATOM 0 HG23 VAL A 25 7.419 2.672 10.521 1.00 72.41 H new ATOM 419 N ASP A 26 11.768 0.881 12.499 1.00 12.34 N ATOM 420 CA ASP A 26 13.136 0.950 13.000 1.00 51.24 C ATOM 421 C ASP A 26 14.134 0.995 11.847 1.00 23.30 C ATOM 422 O ASP A 26 13.836 0.553 10.738 1.00 13.01 O ATOM 423 CB ASP A 26 13.433 -0.249 13.902 1.00 53.32 C ATOM 424 CG ASP A 26 14.618 -0.006 14.815 1.00 23.41 C ATOM 425 OD1 ASP A 26 14.893 1.170 15.131 1.00 60.05 O ATOM 426 OD2 ASP A 26 15.272 -0.993 15.214 1.00 61.33 O ATOM 0 H ASP A 26 11.490 -0.039 12.156 1.00 12.34 H new ATOM 0 HA ASP A 26 13.238 1.866 13.582 1.00 51.24 H new ATOM 0 HB2 ASP A 26 12.553 -0.473 14.505 1.00 53.32 H new ATOM 0 HB3 ASP A 26 13.628 -1.126 13.284 1.00 53.32 H new ATOM 431 N GLU A 27 15.320 1.532 12.118 1.00 53.01 N ATOM 432 CA GLU A 27 16.361 1.636 11.102 1.00 33.32 C ATOM 433 C GLU A 27 17.085 0.304 10.927 1.00 34.31 C ATOM 434 O GLU A 27 16.890 -0.628 11.707 1.00 25.54 O ATOM 435 CB GLU A 27 17.364 2.728 11.478 1.00 51.31 C ATOM 436 CG GLU A 27 17.914 3.487 10.282 1.00 55.31 C ATOM 437 CD GLU A 27 18.699 4.720 10.684 1.00 0.42 C ATOM 438 OE1 GLU A 27 19.823 4.563 11.206 1.00 34.04 O ATOM 439 OE2 GLU A 27 18.191 5.842 10.477 1.00 33.04 O ATOM 0 H GLU A 27 15.583 1.901 13.032 1.00 53.01 H new ATOM 0 HA GLU A 27 15.886 1.899 10.157 1.00 33.32 H new ATOM 0 HB2 GLU A 27 16.883 3.434 12.156 1.00 51.31 H new ATOM 0 HB3 GLU A 27 18.193 2.276 12.023 1.00 51.31 H new ATOM 0 HG2 GLU A 27 18.556 2.825 9.701 1.00 55.31 H new ATOM 0 HG3 GLU A 27 17.089 3.782 9.633 1.00 55.31 H new ATOM 446 N VAL A 28 17.920 0.222 9.896 1.00 30.13 N ATOM 447 CA VAL A 28 18.674 -0.995 9.618 1.00 52.31 C ATOM 448 C VAL A 28 19.590 -1.352 10.783 1.00 71.32 C ATOM 449 O VAL A 28 19.994 -0.498 11.572 1.00 20.10 O ATOM 450 CB VAL A 28 19.520 -0.850 8.339 1.00 21.21 C ATOM 451 CG1 VAL A 28 18.635 -0.905 7.104 1.00 73.45 C ATOM 452 CG2 VAL A 28 20.321 0.443 8.374 1.00 71.41 C ATOM 0 H VAL A 28 18.091 0.984 9.240 1.00 30.13 H new ATOM 0 HA VAL A 28 17.946 -1.793 9.475 1.00 52.31 H new ATOM 0 HB VAL A 28 20.221 -1.684 8.291 1.00 21.21 H new ATOM 0 HG11 VAL A 28 19.250 -0.801 6.210 1.00 73.45 H new ATOM 0 HG12 VAL A 28 18.111 -1.860 7.074 1.00 73.45 H new ATOM 0 HG13 VAL A 28 17.908 -0.093 7.141 1.00 73.45 H new ATOM 0 HG21 VAL A 28 20.913 0.529 7.463 1.00 71.41 H new ATOM 0 HG22 VAL A 28 19.640 1.291 8.446 1.00 71.41 H new ATOM 0 HG23 VAL A 28 20.985 0.436 9.239 1.00 71.41 H new ATOM 462 N PRO A 29 19.927 -2.646 10.895 1.00 41.42 N ATOM 463 CA PRO A 29 20.801 -3.147 11.960 1.00 13.51 C ATOM 464 C PRO A 29 22.244 -2.684 11.792 1.00 12.51 C ATOM 465 O PRO A 29 22.583 -2.020 10.812 1.00 72.32 O ATOM 466 CB PRO A 29 20.706 -4.667 11.811 1.00 62.02 C ATOM 467 CG PRO A 29 20.345 -4.886 10.382 1.00 3.31 C ATOM 468 CD PRO A 29 19.482 -3.719 9.990 1.00 41.43 C ATOM 0 HA PRO A 29 20.498 -2.782 12.941 1.00 13.51 H new ATOM 0 HB2 PRO A 29 21.652 -5.149 12.059 1.00 62.02 H new ATOM 0 HB3 PRO A 29 19.952 -5.084 12.478 1.00 62.02 H new ATOM 0 HG2 PRO A 29 21.237 -4.939 9.758 1.00 3.31 H new ATOM 0 HG3 PRO A 29 19.810 -5.827 10.254 1.00 3.31 H new ATOM 0 HD2 PRO A 29 19.625 -3.447 8.944 1.00 41.43 H new ATOM 0 HD3 PRO A 29 18.423 -3.941 10.120 1.00 41.43 H new ATOM 476 N ASP A 30 23.089 -3.037 12.754 1.00 64.44 N ATOM 477 CA ASP A 30 24.497 -2.659 12.711 1.00 22.21 C ATOM 478 C ASP A 30 25.175 -3.225 11.467 1.00 33.51 C ATOM 479 O ASP A 30 26.232 -2.751 11.053 1.00 33.32 O ATOM 480 CB ASP A 30 25.217 -3.151 13.968 1.00 45.43 C ATOM 481 CG ASP A 30 24.762 -2.423 15.218 1.00 63.44 C ATOM 482 OD1 ASP A 30 24.093 -1.377 15.085 1.00 31.23 O ATOM 483 OD2 ASP A 30 25.075 -2.901 16.328 1.00 12.22 O ATOM 0 H ASP A 30 22.824 -3.584 13.573 1.00 64.44 H new ATOM 0 HA ASP A 30 24.555 -1.571 12.670 1.00 22.21 H new ATOM 0 HB2 ASP A 30 25.041 -4.220 14.089 1.00 45.43 H new ATOM 0 HB3 ASP A 30 26.292 -3.017 13.844 1.00 45.43 H new ATOM 488 N GLY A 31 24.558 -4.244 10.875 1.00 23.45 N ATOM 489 CA GLY A 31 25.117 -4.859 9.686 1.00 72.53 C ATOM 490 C GLY A 31 25.348 -6.348 9.857 1.00 44.34 C ATOM 491 O GLY A 31 25.515 -7.073 8.877 1.00 73.33 O ATOM 0 H GLY A 31 23.682 -4.654 11.198 1.00 23.45 H new ATOM 0 HA2 GLY A 31 24.444 -4.693 8.844 1.00 72.53 H new ATOM 0 HA3 GLY A 31 26.061 -4.374 9.440 1.00 72.53 H new ATOM 495 N ALA A 32 25.361 -6.804 11.105 1.00 51.51 N ATOM 496 CA ALA A 32 25.574 -8.215 11.401 1.00 54.22 C ATOM 497 C ALA A 32 24.545 -8.727 12.403 1.00 54.11 C ATOM 498 O ALA A 32 24.788 -9.701 13.115 1.00 1.02 O ATOM 499 CB ALA A 32 26.983 -8.437 11.929 1.00 42.22 C ATOM 0 H ALA A 32 25.226 -6.216 11.928 1.00 51.51 H new ATOM 0 HA ALA A 32 25.452 -8.777 10.475 1.00 54.22 H new ATOM 0 HB1 ALA A 32 27.128 -9.495 12.146 1.00 42.22 H new ATOM 0 HB2 ALA A 32 27.707 -8.118 11.179 1.00 42.22 H new ATOM 0 HB3 ALA A 32 27.125 -7.857 12.841 1.00 42.22 H new ATOM 505 N VAL A 33 23.394 -8.064 12.453 1.00 14.34 N ATOM 506 CA VAL A 33 22.327 -8.452 13.368 1.00 30.23 C ATOM 507 C VAL A 33 21.272 -9.293 12.658 1.00 43.14 C ATOM 508 O VAL A 33 20.102 -9.295 13.041 1.00 62.33 O ATOM 509 CB VAL A 33 21.648 -7.220 13.995 1.00 5.31 C ATOM 510 CG1 VAL A 33 20.861 -7.616 15.235 1.00 41.03 C ATOM 511 CG2 VAL A 33 22.682 -6.155 14.328 1.00 3.40 C ATOM 0 H VAL A 33 23.177 -7.255 11.870 1.00 14.34 H new ATOM 0 HA VAL A 33 22.789 -9.044 14.158 1.00 30.23 H new ATOM 0 HB VAL A 33 20.950 -6.803 13.269 1.00 5.31 H new ATOM 0 HG11 VAL A 33 20.389 -6.732 15.664 1.00 41.03 H new ATOM 0 HG12 VAL A 33 20.094 -8.341 14.963 1.00 41.03 H new ATOM 0 HG13 VAL A 33 21.535 -8.059 15.968 1.00 41.03 H new ATOM 0 HG21 VAL A 33 22.185 -5.291 14.770 1.00 3.40 H new ATOM 0 HG22 VAL A 33 23.406 -6.559 15.036 1.00 3.40 H new ATOM 0 HG23 VAL A 33 23.197 -5.850 13.417 1.00 3.40 H new ATOM 521 N LYS A 34 21.694 -10.007 11.620 1.00 71.14 N ATOM 522 CA LYS A 34 20.787 -10.855 10.854 1.00 2.35 C ATOM 523 C LYS A 34 19.559 -10.070 10.405 1.00 72.35 C ATOM 524 O LYS A 34 18.462 -10.226 10.942 1.00 41.20 O ATOM 525 CB LYS A 34 20.356 -12.062 11.691 1.00 45.30 C ATOM 526 CG LYS A 34 21.519 -12.901 12.191 1.00 23.12 C ATOM 527 CD LYS A 34 22.020 -12.413 13.540 1.00 12.32 C ATOM 528 CE LYS A 34 22.650 -13.541 14.343 1.00 42.25 C ATOM 529 NZ LYS A 34 23.191 -13.061 15.644 1.00 1.42 N ATOM 0 H LYS A 34 22.659 -10.016 11.289 1.00 71.14 H new ATOM 0 HA LYS A 34 21.317 -11.205 9.968 1.00 2.35 H new ATOM 0 HB2 LYS A 34 19.777 -11.713 12.546 1.00 45.30 H new ATOM 0 HB3 LYS A 34 19.696 -12.691 11.094 1.00 45.30 H new ATOM 0 HG2 LYS A 34 21.209 -13.943 12.272 1.00 23.12 H new ATOM 0 HG3 LYS A 34 22.332 -12.866 11.466 1.00 23.12 H new ATOM 0 HD2 LYS A 34 22.751 -11.618 13.392 1.00 12.32 H new ATOM 0 HD3 LYS A 34 21.192 -11.983 14.103 1.00 12.32 H new ATOM 0 HE2 LYS A 34 21.907 -14.318 14.523 1.00 42.25 H new ATOM 0 HE3 LYS A 34 23.452 -13.996 13.762 1.00 42.25 H new ATOM 0 HZ1 LYS A 34 23.612 -13.859 16.161 1.00 1.42 H new ATOM 0 HZ2 LYS A 34 23.919 -12.338 15.472 1.00 1.42 H new ATOM 0 HZ3 LYS A 34 22.421 -12.650 16.209 1.00 1.42 H new ATOM 543 N PRO A 35 19.744 -9.208 9.394 1.00 13.21 N ATOM 544 CA PRO A 35 18.661 -8.384 8.848 1.00 0.24 C ATOM 545 C PRO A 35 17.632 -9.210 8.084 1.00 22.23 C ATOM 546 O PRO A 35 17.849 -10.381 7.772 1.00 21.32 O ATOM 547 CB PRO A 35 19.387 -7.426 7.901 1.00 4.42 C ATOM 548 CG PRO A 35 20.630 -8.149 7.510 1.00 11.34 C ATOM 549 CD PRO A 35 21.024 -8.971 8.706 1.00 31.10 C ATOM 0 HA PRO A 35 18.096 -7.882 9.633 1.00 0.24 H new ATOM 0 HB2 PRO A 35 18.775 -7.191 7.030 1.00 4.42 H new ATOM 0 HB3 PRO A 35 19.617 -6.481 8.393 1.00 4.42 H new ATOM 0 HG2 PRO A 35 20.456 -8.783 6.641 1.00 11.34 H new ATOM 0 HG3 PRO A 35 21.420 -7.449 7.240 1.00 11.34 H new ATOM 0 HD2 PRO A 35 21.501 -9.906 8.412 1.00 31.10 H new ATOM 0 HD3 PRO A 35 21.731 -8.440 9.344 1.00 31.10 H new ATOM 557 N PRO A 36 16.485 -8.589 7.774 1.00 12.44 N ATOM 558 CA PRO A 36 15.400 -9.248 7.042 1.00 71.42 C ATOM 559 C PRO A 36 15.763 -9.516 5.585 1.00 12.50 C ATOM 560 O PRO A 36 16.819 -9.096 5.110 1.00 53.12 O ATOM 561 CB PRO A 36 14.249 -8.243 7.131 1.00 42.15 C ATOM 562 CG PRO A 36 14.914 -6.922 7.316 1.00 35.41 C ATOM 563 CD PRO A 36 16.158 -7.194 8.115 1.00 43.32 C ATOM 0 HA PRO A 36 15.162 -10.226 7.460 1.00 71.42 H new ATOM 0 HB2 PRO A 36 13.640 -8.257 6.227 1.00 42.15 H new ATOM 0 HB3 PRO A 36 13.586 -8.473 7.965 1.00 42.15 H new ATOM 0 HG2 PRO A 36 15.158 -6.470 6.355 1.00 35.41 H new ATOM 0 HG3 PRO A 36 14.259 -6.225 7.839 1.00 35.41 H new ATOM 0 HD2 PRO A 36 16.966 -6.514 7.844 1.00 43.32 H new ATOM 0 HD3 PRO A 36 15.984 -7.072 9.184 1.00 43.32 H new ATOM 571 N THR A 37 14.881 -10.216 4.879 1.00 32.30 N ATOM 572 CA THR A 37 15.109 -10.540 3.476 1.00 14.14 C ATOM 573 C THR A 37 14.103 -9.829 2.578 1.00 43.13 C ATOM 574 O THR A 37 14.450 -9.354 1.497 1.00 2.54 O ATOM 575 CB THR A 37 15.018 -12.057 3.228 1.00 24.52 C ATOM 576 OG1 THR A 37 15.012 -12.324 1.821 1.00 23.33 O ATOM 577 CG2 THR A 37 13.764 -12.636 3.865 1.00 72.34 C ATOM 0 H THR A 37 14.002 -10.570 5.256 1.00 32.30 H new ATOM 0 HA THR A 37 16.115 -10.199 3.232 1.00 14.14 H new ATOM 0 HB THR A 37 15.888 -12.530 3.683 1.00 24.52 H new ATOM 0 HG1 THR A 37 14.955 -13.291 1.672 1.00 23.33 H new ATOM 0 HG21 THR A 37 13.722 -13.709 3.676 1.00 72.34 H new ATOM 0 HG22 THR A 37 13.786 -12.457 4.940 1.00 72.34 H new ATOM 0 HG23 THR A 37 12.884 -12.157 3.436 1.00 72.34 H new ATOM 585 N ASN A 38 12.856 -9.759 3.032 1.00 62.31 N ATOM 586 CA ASN A 38 11.800 -9.105 2.268 1.00 70.30 C ATOM 587 C ASN A 38 10.833 -8.372 3.193 1.00 24.43 C ATOM 588 O ASN A 38 9.687 -8.108 2.829 1.00 23.22 O ATOM 589 CB ASN A 38 11.039 -10.133 1.427 1.00 10.45 C ATOM 590 CG ASN A 38 11.605 -10.268 0.027 1.00 5.23 C ATOM 591 OD1 ASN A 38 12.466 -11.111 -0.228 1.00 13.24 O ATOM 592 ND2 ASN A 38 11.124 -9.435 -0.888 1.00 43.04 N ATOM 0 H ASN A 38 12.552 -10.147 3.925 1.00 62.31 H new ATOM 0 HA ASN A 38 12.264 -8.375 1.605 1.00 70.30 H new ATOM 0 HB2 ASN A 38 11.073 -11.102 1.925 1.00 10.45 H new ATOM 0 HB3 ASN A 38 9.990 -9.843 1.365 1.00 10.45 H new ATOM 0 HD21 ASN A 38 11.468 -9.478 -1.847 1.00 43.04 H new ATOM 0 HD22 ASN A 38 10.411 -8.752 -0.632 1.00 43.04 H new ATOM 599 N LYS A 39 11.304 -8.046 4.392 1.00 13.23 N ATOM 600 CA LYS A 39 10.483 -7.342 5.371 1.00 44.43 C ATOM 601 C LYS A 39 11.301 -6.286 6.108 1.00 65.04 C ATOM 602 O LYS A 39 12.508 -6.160 5.894 1.00 21.43 O ATOM 603 CB LYS A 39 9.887 -8.332 6.374 1.00 53.44 C ATOM 604 CG LYS A 39 9.065 -9.433 5.726 1.00 12.40 C ATOM 605 CD LYS A 39 8.867 -10.609 6.668 1.00 44.42 C ATOM 606 CE LYS A 39 7.505 -11.256 6.473 1.00 12.34 C ATOM 607 NZ LYS A 39 7.498 -12.199 5.321 1.00 10.01 N ATOM 0 H LYS A 39 12.250 -8.258 4.709 1.00 13.23 H new ATOM 0 HA LYS A 39 9.674 -6.843 4.838 1.00 44.43 H new ATOM 0 HB2 LYS A 39 10.695 -8.784 6.950 1.00 53.44 H new ATOM 0 HB3 LYS A 39 9.259 -7.788 7.079 1.00 53.44 H new ATOM 0 HG2 LYS A 39 8.094 -9.036 5.429 1.00 12.40 H new ATOM 0 HG3 LYS A 39 9.562 -9.773 4.818 1.00 12.40 H new ATOM 0 HD2 LYS A 39 9.650 -11.348 6.498 1.00 44.42 H new ATOM 0 HD3 LYS A 39 8.966 -10.271 7.700 1.00 44.42 H new ATOM 0 HE2 LYS A 39 7.223 -11.790 7.381 1.00 12.34 H new ATOM 0 HE3 LYS A 39 6.755 -10.482 6.313 1.00 12.34 H new ATOM 0 HZ1 LYS A 39 6.552 -12.619 5.222 1.00 10.01 H new ATOM 0 HZ2 LYS A 39 7.742 -11.685 4.450 1.00 10.01 H new ATOM 0 HZ3 LYS A 39 8.196 -12.953 5.485 1.00 10.01 H new ATOM 621 N LEU A 40 10.638 -5.530 6.976 1.00 65.30 N ATOM 622 CA LEU A 40 11.305 -4.486 7.746 1.00 11.03 C ATOM 623 C LEU A 40 10.964 -4.601 9.229 1.00 72.14 C ATOM 624 O LEU A 40 9.963 -5.205 9.615 1.00 24.45 O ATOM 625 CB LEU A 40 10.903 -3.105 7.225 1.00 64.23 C ATOM 626 CG LEU A 40 9.470 -2.973 6.708 1.00 22.41 C ATOM 627 CD1 LEU A 40 8.957 -1.557 6.913 1.00 1.41 C ATOM 628 CD2 LEU A 40 9.395 -3.363 5.239 1.00 40.41 C ATOM 0 H LEU A 40 9.640 -5.620 7.164 1.00 65.30 H new ATOM 0 HA LEU A 40 12.381 -4.613 7.628 1.00 11.03 H new ATOM 0 HB2 LEU A 40 11.047 -2.381 8.027 1.00 64.23 H new ATOM 0 HB3 LEU A 40 11.585 -2.830 6.420 1.00 64.23 H new ATOM 0 HG LEU A 40 8.835 -3.653 7.276 1.00 22.41 H new ATOM 0 HD11 LEU A 40 7.936 -1.482 6.539 1.00 1.41 H new ATOM 0 HD12 LEU A 40 8.973 -1.314 7.976 1.00 1.41 H new ATOM 0 HD13 LEU A 40 9.594 -0.857 6.372 1.00 1.41 H new ATOM 0 HD21 LEU A 40 8.368 -3.263 4.888 1.00 40.41 H new ATOM 0 HD22 LEU A 40 10.043 -2.709 4.655 1.00 40.41 H new ATOM 0 HD23 LEU A 40 9.720 -4.397 5.120 1.00 40.41 H new ATOM 640 N PRO A 41 11.813 -4.006 10.079 1.00 21.24 N ATOM 641 CA PRO A 41 11.621 -4.026 11.533 1.00 42.34 C ATOM 642 C PRO A 41 10.433 -3.177 11.972 1.00 72.23 C ATOM 643 O PRO A 41 10.361 -1.987 11.664 1.00 33.01 O ATOM 644 CB PRO A 41 12.927 -3.436 12.071 1.00 62.02 C ATOM 645 CG PRO A 41 13.445 -2.587 10.962 1.00 51.14 C ATOM 646 CD PRO A 41 13.026 -3.268 9.688 1.00 31.33 C ATOM 0 HA PRO A 41 11.406 -5.029 11.902 1.00 42.34 H new ATOM 0 HB2 PRO A 41 12.754 -2.848 12.972 1.00 62.02 H new ATOM 0 HB3 PRO A 41 13.637 -4.220 12.334 1.00 62.02 H new ATOM 0 HG2 PRO A 41 13.035 -1.579 11.018 1.00 51.14 H new ATOM 0 HG3 PRO A 41 14.530 -2.494 11.016 1.00 51.14 H new ATOM 0 HD2 PRO A 41 12.820 -2.548 8.896 1.00 31.33 H new ATOM 0 HD3 PRO A 41 13.802 -3.938 9.316 1.00 31.33 H new ATOM 654 N ILE A 42 9.504 -3.796 12.692 1.00 33.41 N ATOM 655 CA ILE A 42 8.320 -3.097 13.174 1.00 15.45 C ATOM 656 C ILE A 42 8.235 -3.144 14.696 1.00 33.23 C ATOM 657 O ILE A 42 7.813 -4.146 15.274 1.00 31.13 O ATOM 658 CB ILE A 42 7.031 -3.695 12.581 1.00 72.53 C ATOM 659 CG1 ILE A 42 7.166 -3.852 11.065 1.00 44.43 C ATOM 660 CG2 ILE A 42 5.834 -2.821 12.924 1.00 73.43 C ATOM 661 CD1 ILE A 42 7.459 -2.553 10.347 1.00 3.42 C ATOM 0 H ILE A 42 9.549 -4.781 12.954 1.00 33.41 H new ATOM 0 HA ILE A 42 8.413 -2.061 12.849 1.00 15.45 H new ATOM 0 HB ILE A 42 6.872 -4.681 13.017 1.00 72.53 H new ATOM 0 HG12 ILE A 42 7.963 -4.564 10.851 1.00 44.43 H new ATOM 0 HG13 ILE A 42 6.244 -4.277 10.668 1.00 44.43 H new ATOM 0 HG21 ILE A 42 4.931 -3.257 12.498 1.00 73.43 H new ATOM 0 HG22 ILE A 42 5.729 -2.756 14.007 1.00 73.43 H new ATOM 0 HG23 ILE A 42 5.983 -1.822 12.513 1.00 73.43 H new ATOM 0 HD11 ILE A 42 7.542 -2.740 9.276 1.00 3.42 H new ATOM 0 HD12 ILE A 42 6.650 -1.845 10.531 1.00 3.42 H new ATOM 0 HD13 ILE A 42 8.396 -2.137 10.716 1.00 3.42 H new ATOM 673 N PHE A 43 8.637 -2.053 15.340 1.00 32.41 N ATOM 674 CA PHE A 43 8.606 -1.970 16.796 1.00 54.33 C ATOM 675 C PHE A 43 7.182 -1.743 17.297 1.00 4.30 C ATOM 676 O PHE A 43 6.624 -0.656 17.143 1.00 20.24 O ATOM 677 CB PHE A 43 9.516 -0.840 17.282 1.00 21.44 C ATOM 678 CG PHE A 43 9.794 -0.888 18.758 1.00 62.34 C ATOM 679 CD1 PHE A 43 10.237 -2.057 19.355 1.00 63.42 C ATOM 680 CD2 PHE A 43 9.613 0.236 19.547 1.00 22.10 C ATOM 681 CE1 PHE A 43 10.493 -2.104 20.712 1.00 22.32 C ATOM 682 CE2 PHE A 43 9.868 0.195 20.905 1.00 52.20 C ATOM 683 CZ PHE A 43 10.309 -0.976 21.488 1.00 24.30 C ATOM 0 H PHE A 43 8.988 -1.215 14.877 1.00 32.41 H new ATOM 0 HA PHE A 43 8.967 -2.917 17.198 1.00 54.33 H new ATOM 0 HB2 PHE A 43 10.461 -0.887 16.741 1.00 21.44 H new ATOM 0 HB3 PHE A 43 9.056 0.117 17.038 1.00 21.44 H new ATOM 0 HD1 PHE A 43 10.384 -2.942 18.753 1.00 63.42 H new ATOM 0 HD2 PHE A 43 9.269 1.155 19.096 1.00 22.10 H new ATOM 0 HE1 PHE A 43 10.837 -3.022 21.166 1.00 22.32 H new ATOM 0 HE2 PHE A 43 9.722 1.078 21.509 1.00 52.20 H new ATOM 0 HZ PHE A 43 10.510 -1.010 22.549 1.00 24.30 H new ATOM 693 N PHE A 44 6.601 -2.776 17.897 1.00 72.13 N ATOM 694 CA PHE A 44 5.242 -2.691 18.420 1.00 62.23 C ATOM 695 C PHE A 44 5.208 -1.889 19.717 1.00 21.34 C ATOM 696 O PHE A 44 5.818 -2.275 20.715 1.00 41.01 O ATOM 697 CB PHE A 44 4.676 -4.093 18.658 1.00 42.41 C ATOM 698 CG PHE A 44 4.022 -4.689 17.444 1.00 24.34 C ATOM 699 CD1 PHE A 44 4.766 -5.413 16.526 1.00 34.00 C ATOM 700 CD2 PHE A 44 2.665 -4.526 17.222 1.00 54.00 C ATOM 701 CE1 PHE A 44 4.167 -5.964 15.408 1.00 1.25 C ATOM 702 CE2 PHE A 44 2.060 -5.075 16.107 1.00 45.34 C ATOM 703 CZ PHE A 44 2.813 -5.793 15.198 1.00 32.41 C ATOM 0 H PHE A 44 7.050 -3.682 18.033 1.00 72.13 H new ATOM 0 HA PHE A 44 4.626 -2.179 17.681 1.00 62.23 H new ATOM 0 HB2 PHE A 44 5.481 -4.750 18.987 1.00 42.41 H new ATOM 0 HB3 PHE A 44 3.949 -4.050 19.469 1.00 42.41 H new ATOM 0 HD1 PHE A 44 5.826 -5.548 16.686 1.00 34.00 H new ATOM 0 HD2 PHE A 44 2.072 -3.963 17.928 1.00 54.00 H new ATOM 0 HE1 PHE A 44 4.757 -6.527 14.700 1.00 1.25 H new ATOM 0 HE2 PHE A 44 1.000 -4.943 15.947 1.00 45.34 H new ATOM 0 HZ PHE A 44 2.343 -6.220 14.324 1.00 32.41 H new ATOM 713 N PHE A 45 4.491 -0.771 19.696 1.00 51.30 N ATOM 714 CA PHE A 45 4.378 0.087 20.870 1.00 52.54 C ATOM 715 C PHE A 45 3.363 -0.476 21.860 1.00 72.23 C ATOM 716 O PHE A 45 2.355 -1.062 21.467 1.00 61.34 O ATOM 717 CB PHE A 45 3.971 1.503 20.455 1.00 10.12 C ATOM 718 CG PHE A 45 5.139 2.407 20.182 1.00 22.14 C ATOM 719 CD1 PHE A 45 6.169 2.527 21.102 1.00 73.20 C ATOM 720 CD2 PHE A 45 5.208 3.136 19.006 1.00 2.03 C ATOM 721 CE1 PHE A 45 7.244 3.358 20.854 1.00 44.33 C ATOM 722 CE2 PHE A 45 6.282 3.969 18.752 1.00 34.03 C ATOM 723 CZ PHE A 45 7.302 4.079 19.677 1.00 55.31 C ATOM 0 H PHE A 45 3.979 -0.438 18.879 1.00 51.30 H new ATOM 0 HA PHE A 45 5.352 0.124 21.357 1.00 52.54 H new ATOM 0 HB2 PHE A 45 3.349 1.446 19.562 1.00 10.12 H new ATOM 0 HB3 PHE A 45 3.358 1.942 21.243 1.00 10.12 H new ATOM 0 HD1 PHE A 45 6.130 1.964 22.023 1.00 73.20 H new ATOM 0 HD2 PHE A 45 4.414 3.053 18.279 1.00 2.03 H new ATOM 0 HE1 PHE A 45 8.039 3.444 21.580 1.00 44.33 H new ATOM 0 HE2 PHE A 45 6.323 4.533 17.832 1.00 34.03 H new ATOM 0 HZ PHE A 45 8.143 4.727 19.480 1.00 55.31 H new ATOM 733 N GLY A 46 3.638 -0.294 23.148 1.00 75.41 N ATOM 734 CA GLY A 46 2.740 -0.791 24.175 1.00 43.30 C ATOM 735 C GLY A 46 3.101 -2.190 24.633 1.00 74.13 C ATOM 736 O GLY A 46 2.983 -2.515 25.815 1.00 75.34 O ATOM 0 H GLY A 46 4.466 0.188 23.499 1.00 75.41 H new ATOM 0 HA2 GLY A 46 2.761 -0.115 25.030 1.00 43.30 H new ATOM 0 HA3 GLY A 46 1.719 -0.789 23.793 1.00 43.30 H new ATOM 740 N THR A 47 3.540 -3.023 23.695 1.00 64.25 N ATOM 741 CA THR A 47 3.916 -4.396 24.007 1.00 62.31 C ATOM 742 C THR A 47 5.418 -4.604 23.852 1.00 4.12 C ATOM 743 O THR A 47 5.939 -5.682 24.141 1.00 43.14 O ATOM 744 CB THR A 47 3.175 -5.401 23.104 1.00 0.34 C ATOM 745 OG1 THR A 47 3.597 -5.242 21.745 1.00 23.53 O ATOM 746 CG2 THR A 47 1.669 -5.205 23.199 1.00 4.40 C ATOM 0 H THR A 47 3.644 -2.770 22.712 1.00 64.25 H new ATOM 0 HA THR A 47 3.632 -4.573 25.045 1.00 62.31 H new ATOM 0 HB THR A 47 3.417 -6.408 23.443 1.00 0.34 H new ATOM 0 HG1 THR A 47 3.123 -5.885 21.178 1.00 23.53 H new ATOM 0 HG21 THR A 47 1.167 -5.925 22.553 1.00 4.40 H new ATOM 0 HG22 THR A 47 1.347 -5.355 24.229 1.00 4.40 H new ATOM 0 HG23 THR A 47 1.413 -4.194 22.883 1.00 4.40 H new ATOM 754 N HIS A 48 6.111 -3.565 23.396 1.00 51.00 N ATOM 755 CA HIS A 48 7.555 -3.634 23.204 1.00 3.34 C ATOM 756 C HIS A 48 7.937 -4.866 22.390 1.00 23.23 C ATOM 757 O HIS A 48 8.982 -5.473 22.621 1.00 64.54 O ATOM 758 CB HIS A 48 8.270 -3.659 24.556 1.00 74.40 C ATOM 759 CG HIS A 48 8.446 -2.303 25.166 1.00 11.01 C ATOM 760 ND1 HIS A 48 7.783 -1.182 24.713 1.00 44.14 N ATOM 761 CD2 HIS A 48 9.214 -1.891 26.202 1.00 62.14 C ATOM 762 CE1 HIS A 48 8.138 -0.139 25.441 1.00 10.35 C ATOM 763 NE2 HIS A 48 9.005 -0.542 26.352 1.00 22.34 N ATOM 0 H HIS A 48 5.696 -2.666 23.153 1.00 51.00 H new ATOM 0 HA HIS A 48 7.866 -2.746 22.653 1.00 3.34 H new ATOM 0 HB2 HIS A 48 7.705 -4.288 25.245 1.00 74.40 H new ATOM 0 HB3 HIS A 48 9.249 -4.122 24.431 1.00 74.40 H new ATOM 0 HD2 HIS A 48 9.869 -2.508 26.799 1.00 62.14 H new ATOM 0 HE1 HIS A 48 7.780 0.872 25.313 1.00 10.35 H new ATOM 0 HE2 HIS A 48 9.448 0.052 27.053 1.00 22.34 H new ATOM 771 N GLU A 49 7.083 -5.229 21.439 1.00 73.41 N ATOM 772 CA GLU A 49 7.331 -6.391 20.593 1.00 42.45 C ATOM 773 C GLU A 49 7.955 -5.972 19.264 1.00 31.12 C ATOM 774 O GLU A 49 8.115 -4.783 18.987 1.00 52.12 O ATOM 775 CB GLU A 49 6.029 -7.153 20.339 1.00 11.13 C ATOM 776 CG GLU A 49 5.445 -7.791 21.588 1.00 34.23 C ATOM 777 CD GLU A 49 6.492 -8.495 22.429 1.00 45.52 C ATOM 778 OE1 GLU A 49 7.309 -9.245 21.855 1.00 50.33 O ATOM 779 OE2 GLU A 49 6.496 -8.294 23.662 1.00 73.04 O ATOM 0 H GLU A 49 6.214 -4.736 21.235 1.00 73.41 H new ATOM 0 HA GLU A 49 8.030 -7.045 21.114 1.00 42.45 H new ATOM 0 HB2 GLU A 49 5.295 -6.469 19.913 1.00 11.13 H new ATOM 0 HB3 GLU A 49 6.211 -7.929 19.596 1.00 11.13 H new ATOM 0 HG2 GLU A 49 4.958 -7.023 22.189 1.00 34.23 H new ATOM 0 HG3 GLU A 49 4.675 -8.507 21.300 1.00 34.23 H new ATOM 786 N THR A 50 8.307 -6.959 18.445 1.00 14.33 N ATOM 787 CA THR A 50 8.914 -6.695 17.147 1.00 3.42 C ATOM 788 C THR A 50 8.574 -7.793 16.147 1.00 74.21 C ATOM 789 O THR A 50 8.822 -8.972 16.397 1.00 30.22 O ATOM 790 CB THR A 50 10.446 -6.574 17.258 1.00 11.11 C ATOM 791 OG1 THR A 50 11.036 -6.617 15.954 1.00 24.03 O ATOM 792 CG2 THR A 50 11.016 -7.693 18.116 1.00 63.20 C ATOM 0 H THR A 50 8.182 -7.949 18.658 1.00 14.33 H new ATOM 0 HA THR A 50 8.506 -5.748 16.794 1.00 3.42 H new ATOM 0 HB THR A 50 10.680 -5.620 17.731 1.00 11.11 H new ATOM 0 HG1 THR A 50 12.010 -6.538 16.033 1.00 24.03 H new ATOM 0 HG21 THR A 50 12.099 -7.587 18.180 1.00 63.20 H new ATOM 0 HG22 THR A 50 10.586 -7.639 19.116 1.00 63.20 H new ATOM 0 HG23 THR A 50 10.772 -8.656 17.667 1.00 63.20 H new ATOM 800 N ALA A 51 8.004 -7.399 15.013 1.00 41.42 N ATOM 801 CA ALA A 51 7.632 -8.350 13.973 1.00 20.34 C ATOM 802 C ALA A 51 8.044 -7.846 12.595 1.00 65.45 C ATOM 803 O ALA A 51 7.809 -6.688 12.250 1.00 60.12 O ATOM 804 CB ALA A 51 6.135 -8.617 14.014 1.00 73.32 C ATOM 0 H ALA A 51 7.790 -6.427 14.791 1.00 41.42 H new ATOM 0 HA ALA A 51 8.162 -9.283 14.162 1.00 20.34 H new ATOM 0 HB1 ALA A 51 5.871 -9.329 13.232 1.00 73.32 H new ATOM 0 HB2 ALA A 51 5.865 -9.029 14.986 1.00 73.32 H new ATOM 0 HB3 ALA A 51 5.595 -7.684 13.853 1.00 73.32 H new ATOM 810 N PHE A 52 8.662 -8.723 11.809 1.00 33.15 N ATOM 811 CA PHE A 52 9.109 -8.366 10.468 1.00 33.11 C ATOM 812 C PHE A 52 7.963 -8.476 9.466 1.00 63.01 C ATOM 813 O PHE A 52 7.398 -9.552 9.267 1.00 64.42 O ATOM 814 CB PHE A 52 10.267 -9.268 10.037 1.00 41.13 C ATOM 815 CG PHE A 52 11.571 -8.928 10.701 1.00 34.42 C ATOM 816 CD1 PHE A 52 12.073 -7.638 10.653 1.00 55.21 C ATOM 817 CD2 PHE A 52 12.294 -9.900 11.375 1.00 52.44 C ATOM 818 CE1 PHE A 52 13.272 -7.323 11.263 1.00 61.12 C ATOM 819 CE2 PHE A 52 13.494 -9.591 11.987 1.00 51.32 C ATOM 820 CZ PHE A 52 13.983 -8.300 11.932 1.00 61.43 C ATOM 0 H PHE A 52 8.864 -9.686 12.078 1.00 33.15 H new ATOM 0 HA PHE A 52 9.452 -7.332 10.489 1.00 33.11 H new ATOM 0 HB2 PHE A 52 10.013 -10.304 10.262 1.00 41.13 H new ATOM 0 HB3 PHE A 52 10.389 -9.197 8.956 1.00 41.13 H new ATOM 0 HD1 PHE A 52 11.521 -6.869 10.133 1.00 55.21 H new ATOM 0 HD2 PHE A 52 11.915 -10.910 11.422 1.00 52.44 H new ATOM 0 HE1 PHE A 52 13.653 -6.313 11.217 1.00 61.12 H new ATOM 0 HE2 PHE A 52 14.049 -10.358 12.508 1.00 51.32 H new ATOM 0 HZ PHE A 52 14.919 -8.055 12.411 1.00 61.43 H new ATOM 830 N LEU A 53 7.625 -7.355 8.838 1.00 63.31 N ATOM 831 CA LEU A 53 6.547 -7.324 7.856 1.00 12.11 C ATOM 832 C LEU A 53 6.863 -6.343 6.731 1.00 30.51 C ATOM 833 O LEU A 53 7.136 -5.169 6.976 1.00 72.13 O ATOM 834 CB LEU A 53 5.229 -6.937 8.529 1.00 32.44 C ATOM 835 CG LEU A 53 4.927 -7.627 9.860 1.00 23.32 C ATOM 836 CD1 LEU A 53 3.829 -6.888 10.608 1.00 74.01 C ATOM 837 CD2 LEU A 53 4.535 -9.080 9.631 1.00 10.32 C ATOM 0 H LEU A 53 8.082 -6.456 8.991 1.00 63.31 H new ATOM 0 HA LEU A 53 6.451 -8.322 7.427 1.00 12.11 H new ATOM 0 HB2 LEU A 53 5.231 -5.859 8.693 1.00 32.44 H new ATOM 0 HB3 LEU A 53 4.414 -7.153 7.838 1.00 32.44 H new ATOM 0 HG LEU A 53 5.830 -7.607 10.470 1.00 23.32 H new ATOM 0 HD11 LEU A 53 3.628 -7.394 11.552 1.00 74.01 H new ATOM 0 HD12 LEU A 53 4.148 -5.865 10.805 1.00 74.01 H new ATOM 0 HD13 LEU A 53 2.922 -6.875 10.003 1.00 74.01 H new ATOM 0 HD21 LEU A 53 4.324 -9.555 10.589 1.00 10.32 H new ATOM 0 HD22 LEU A 53 3.646 -9.122 9.001 1.00 10.32 H new ATOM 0 HD23 LEU A 53 5.354 -9.605 9.139 1.00 10.32 H new ATOM 849 N GLY A 54 6.822 -6.834 5.496 1.00 21.50 N ATOM 850 CA GLY A 54 7.104 -5.988 4.352 1.00 43.14 C ATOM 851 C GLY A 54 6.216 -4.761 4.305 1.00 54.20 C ATOM 852 O GLY A 54 5.370 -4.547 5.174 1.00 2.11 O ATOM 0 H GLY A 54 6.598 -7.803 5.268 1.00 21.50 H new ATOM 0 HA2 GLY A 54 8.148 -5.676 4.383 1.00 43.14 H new ATOM 0 HA3 GLY A 54 6.971 -6.564 3.436 1.00 43.14 H new ATOM 856 N PRO A 55 6.404 -3.928 3.271 1.00 41.22 N ATOM 857 CA PRO A 55 5.623 -2.701 3.090 1.00 11.42 C ATOM 858 C PRO A 55 4.171 -2.986 2.722 1.00 61.51 C ATOM 859 O PRO A 55 3.263 -2.255 3.118 1.00 24.00 O ATOM 860 CB PRO A 55 6.337 -1.992 1.937 1.00 45.30 C ATOM 861 CG PRO A 55 7.008 -3.084 1.178 1.00 22.32 C ATOM 862 CD PRO A 55 7.394 -4.120 2.198 1.00 70.13 C ATOM 0 HA PRO A 55 5.573 -2.112 4.006 1.00 11.42 H new ATOM 0 HB2 PRO A 55 5.631 -1.449 1.309 1.00 45.30 H new ATOM 0 HB3 PRO A 55 7.060 -1.265 2.306 1.00 45.30 H new ATOM 0 HG2 PRO A 55 6.339 -3.505 0.427 1.00 22.32 H new ATOM 0 HG3 PRO A 55 7.885 -2.710 0.650 1.00 22.32 H new ATOM 0 HD2 PRO A 55 7.348 -5.128 1.785 1.00 70.13 H new ATOM 0 HD3 PRO A 55 8.412 -3.969 2.558 1.00 70.13 H new ATOM 870 N LYS A 56 3.958 -4.055 1.962 1.00 72.22 N ATOM 871 CA LYS A 56 2.616 -4.440 1.541 1.00 51.12 C ATOM 872 C LYS A 56 1.803 -4.959 2.722 1.00 12.24 C ATOM 873 O LYS A 56 0.590 -5.144 2.620 1.00 61.42 O ATOM 874 CB LYS A 56 2.689 -5.510 0.449 1.00 53.20 C ATOM 875 CG LYS A 56 2.790 -4.940 -0.955 1.00 41.13 C ATOM 876 CD LYS A 56 4.214 -4.528 -1.288 1.00 64.34 C ATOM 877 CE LYS A 56 5.126 -5.738 -1.429 1.00 12.13 C ATOM 878 NZ LYS A 56 6.382 -5.404 -2.155 1.00 24.32 N ATOM 0 H LYS A 56 4.698 -4.671 1.625 1.00 72.22 H new ATOM 0 HA LYS A 56 2.120 -3.555 1.142 1.00 51.12 H new ATOM 0 HB2 LYS A 56 3.552 -6.149 0.636 1.00 53.20 H new ATOM 0 HB3 LYS A 56 1.804 -6.143 0.512 1.00 53.20 H new ATOM 0 HG2 LYS A 56 2.447 -5.682 -1.676 1.00 41.13 H new ATOM 0 HG3 LYS A 56 2.130 -4.078 -1.047 1.00 41.13 H new ATOM 0 HD2 LYS A 56 4.221 -3.956 -2.216 1.00 64.34 H new ATOM 0 HD3 LYS A 56 4.596 -3.872 -0.506 1.00 64.34 H new ATOM 0 HE2 LYS A 56 5.370 -6.126 -0.440 1.00 12.13 H new ATOM 0 HE3 LYS A 56 4.599 -6.530 -1.961 1.00 12.13 H new ATOM 0 HZ1 LYS A 56 6.976 -6.254 -2.230 1.00 24.32 H new ATOM 0 HZ2 LYS A 56 6.151 -5.058 -3.108 1.00 24.32 H new ATOM 0 HZ3 LYS A 56 6.898 -4.666 -1.635 1.00 24.32 H new ATOM 892 N ASP A 57 2.478 -5.190 3.843 1.00 14.41 N ATOM 893 CA ASP A 57 1.817 -5.685 5.045 1.00 10.43 C ATOM 894 C ASP A 57 1.496 -4.539 6.000 1.00 5.11 C ATOM 895 O ASP A 57 0.479 -4.562 6.693 1.00 54.32 O ATOM 896 CB ASP A 57 2.698 -6.719 5.748 1.00 74.23 C ATOM 897 CG ASP A 57 2.395 -8.136 5.301 1.00 0.10 C ATOM 898 OD1 ASP A 57 1.922 -8.310 4.158 1.00 11.12 O ATOM 899 OD2 ASP A 57 2.632 -9.071 6.094 1.00 41.11 O ATOM 0 H ASP A 57 3.482 -5.042 3.944 1.00 14.41 H new ATOM 0 HA ASP A 57 0.882 -6.158 4.747 1.00 10.43 H new ATOM 0 HB2 ASP A 57 3.746 -6.495 5.549 1.00 74.23 H new ATOM 0 HB3 ASP A 57 2.554 -6.642 6.826 1.00 74.23 H new ATOM 904 N ILE A 58 2.372 -3.540 6.032 1.00 13.30 N ATOM 905 CA ILE A 58 2.181 -2.386 6.902 1.00 44.42 C ATOM 906 C ILE A 58 1.392 -1.289 6.195 1.00 33.04 C ATOM 907 O ILE A 58 1.604 -1.020 5.013 1.00 51.22 O ATOM 908 CB ILE A 58 3.529 -1.809 7.375 1.00 51.23 C ATOM 909 CG1 ILE A 58 4.419 -1.484 6.173 1.00 10.44 C ATOM 910 CG2 ILE A 58 4.226 -2.788 8.308 1.00 51.24 C ATOM 911 CD1 ILE A 58 5.665 -0.706 6.537 1.00 35.22 C ATOM 0 H ILE A 58 3.220 -3.507 5.466 1.00 13.30 H new ATOM 0 HA ILE A 58 1.619 -2.734 7.769 1.00 44.42 H new ATOM 0 HB ILE A 58 3.340 -0.886 7.924 1.00 51.23 H new ATOM 0 HG12 ILE A 58 4.711 -2.414 5.685 1.00 10.44 H new ATOM 0 HG13 ILE A 58 3.841 -0.911 5.448 1.00 10.44 H new ATOM 0 HG21 ILE A 58 5.177 -2.366 8.634 1.00 51.24 H new ATOM 0 HG22 ILE A 58 3.595 -2.974 9.177 1.00 51.24 H new ATOM 0 HG23 ILE A 58 4.406 -3.726 7.783 1.00 51.24 H new ATOM 0 HD11 ILE A 58 6.248 -0.511 5.637 1.00 35.22 H new ATOM 0 HD12 ILE A 58 5.381 0.240 6.998 1.00 35.22 H new ATOM 0 HD13 ILE A 58 6.264 -1.286 7.239 1.00 35.22 H new ATOM 923 N PHE A 59 0.481 -0.658 6.928 1.00 13.45 N ATOM 924 CA PHE A 59 -0.341 0.411 6.373 1.00 41.33 C ATOM 925 C PHE A 59 -0.147 1.708 7.153 1.00 0.11 C ATOM 926 O PHE A 59 0.331 1.714 8.288 1.00 61.04 O ATOM 927 CB PHE A 59 -1.817 0.009 6.388 1.00 12.34 C ATOM 928 CG PHE A 59 -2.287 -0.597 5.097 1.00 11.10 C ATOM 929 CD1 PHE A 59 -1.867 -1.861 4.717 1.00 72.52 C ATOM 930 CD2 PHE A 59 -3.149 0.097 4.264 1.00 50.44 C ATOM 931 CE1 PHE A 59 -2.298 -2.421 3.529 1.00 64.13 C ATOM 932 CE2 PHE A 59 -3.583 -0.457 3.074 1.00 31.43 C ATOM 933 CZ PHE A 59 -3.158 -1.719 2.707 1.00 5.20 C ATOM 0 H PHE A 59 0.293 -0.868 7.908 1.00 13.45 H new ATOM 0 HA PHE A 59 -0.028 0.578 5.342 1.00 41.33 H new ATOM 0 HB2 PHE A 59 -1.983 -0.704 7.196 1.00 12.34 H new ATOM 0 HB3 PHE A 59 -2.422 0.888 6.609 1.00 12.34 H new ATOM 0 HD1 PHE A 59 -1.195 -2.415 5.356 1.00 72.52 H new ATOM 0 HD2 PHE A 59 -3.486 1.083 4.548 1.00 50.44 H new ATOM 0 HE1 PHE A 59 -1.962 -3.407 3.244 1.00 64.13 H new ATOM 0 HE2 PHE A 59 -4.253 0.096 2.432 1.00 31.43 H new ATOM 0 HZ PHE A 59 -3.497 -2.156 1.779 1.00 5.20 H new ATOM 943 N PRO A 60 -0.526 2.834 6.531 1.00 13.54 N ATOM 944 CA PRO A 60 -0.404 4.159 7.148 1.00 31.32 C ATOM 945 C PRO A 60 -1.380 4.352 8.304 1.00 4.02 C ATOM 946 O PRO A 60 -2.574 4.084 8.173 1.00 70.43 O ATOM 947 CB PRO A 60 -0.737 5.116 6.001 1.00 13.35 C ATOM 948 CG PRO A 60 -1.595 4.320 5.080 1.00 33.21 C ATOM 949 CD PRO A 60 -1.104 2.902 5.179 1.00 51.03 C ATOM 0 HA PRO A 60 0.584 4.318 7.581 1.00 31.32 H new ATOM 0 HB2 PRO A 60 -1.260 6.001 6.363 1.00 13.35 H new ATOM 0 HB3 PRO A 60 0.167 5.463 5.500 1.00 13.35 H new ATOM 0 HG2 PRO A 60 -2.645 4.390 5.366 1.00 33.21 H new ATOM 0 HG3 PRO A 60 -1.518 4.689 4.057 1.00 33.21 H new ATOM 0 HD2 PRO A 60 -1.916 2.186 5.053 1.00 51.03 H new ATOM 0 HD3 PRO A 60 -0.361 2.680 4.413 1.00 51.03 H new ATOM 957 N TYR A 61 -0.864 4.819 9.436 1.00 43.35 N ATOM 958 CA TYR A 61 -1.689 5.047 10.615 1.00 35.35 C ATOM 959 C TYR A 61 -2.702 6.160 10.365 1.00 32.04 C ATOM 960 O TYR A 61 -3.652 6.333 11.129 1.00 50.51 O ATOM 961 CB TYR A 61 -0.812 5.401 11.817 1.00 30.33 C ATOM 962 CG TYR A 61 -0.669 6.889 12.046 1.00 75.44 C ATOM 963 CD1 TYR A 61 0.118 7.668 11.207 1.00 33.01 C ATOM 964 CD2 TYR A 61 -1.323 7.515 13.100 1.00 52.24 C ATOM 965 CE1 TYR A 61 0.251 9.027 11.413 1.00 43.44 C ATOM 966 CE2 TYR A 61 -1.197 8.874 13.312 1.00 44.42 C ATOM 967 CZ TYR A 61 -0.408 9.626 12.466 1.00 41.00 C ATOM 968 OH TYR A 61 -0.279 10.980 12.673 1.00 4.31 O ATOM 0 H TYR A 61 0.122 5.047 9.561 1.00 43.35 H new ATOM 0 HA TYR A 61 -2.233 4.127 10.829 1.00 35.35 H new ATOM 0 HB2 TYR A 61 -1.234 4.943 12.712 1.00 30.33 H new ATOM 0 HB3 TYR A 61 0.178 4.967 11.674 1.00 30.33 H new ATOM 0 HD1 TYR A 61 0.634 7.203 10.380 1.00 33.01 H new ATOM 0 HD2 TYR A 61 -1.940 6.929 13.765 1.00 52.24 H new ATOM 0 HE1 TYR A 61 0.868 9.618 10.753 1.00 43.44 H new ATOM 0 HE2 TYR A 61 -1.713 9.345 14.135 1.00 44.42 H new ATOM 0 HH TYR A 61 -0.857 11.254 13.415 1.00 4.31 H new ATOM 978 N SER A 62 -2.492 6.912 9.290 1.00 61.45 N ATOM 979 CA SER A 62 -3.384 8.011 8.939 1.00 64.33 C ATOM 980 C SER A 62 -4.744 7.485 8.490 1.00 22.24 C ATOM 981 O SER A 62 -5.730 8.221 8.472 1.00 64.13 O ATOM 982 CB SER A 62 -2.764 8.864 7.831 1.00 42.53 C ATOM 983 OG SER A 62 -3.166 8.409 6.551 1.00 53.15 O ATOM 0 H SER A 62 -1.712 6.781 8.646 1.00 61.45 H new ATOM 0 HA SER A 62 -3.527 8.628 9.826 1.00 64.33 H new ATOM 0 HB2 SER A 62 -3.061 9.905 7.960 1.00 42.53 H new ATOM 0 HB3 SER A 62 -1.677 8.831 7.907 1.00 42.53 H new ATOM 0 HG SER A 62 -2.758 8.972 5.861 1.00 53.15 H new ATOM 989 N GLU A 63 -4.787 6.206 8.130 1.00 34.12 N ATOM 990 CA GLU A 63 -6.026 5.581 7.681 1.00 12.40 C ATOM 991 C GLU A 63 -6.752 4.913 8.845 1.00 1.34 C ATOM 992 O GLU A 63 -7.979 4.826 8.857 1.00 21.33 O ATOM 993 CB GLU A 63 -5.737 4.551 6.588 1.00 64.14 C ATOM 994 CG GLU A 63 -6.770 4.539 5.474 1.00 61.33 C ATOM 995 CD GLU A 63 -6.525 5.620 4.439 1.00 72.20 C ATOM 996 OE1 GLU A 63 -5.345 5.900 4.142 1.00 23.14 O ATOM 997 OE2 GLU A 63 -7.513 6.186 3.926 1.00 31.41 O ATOM 0 H GLU A 63 -3.979 5.583 8.140 1.00 34.12 H new ATOM 0 HA GLU A 63 -6.669 6.361 7.274 1.00 12.40 H new ATOM 0 HB2 GLU A 63 -4.756 4.754 6.160 1.00 64.14 H new ATOM 0 HB3 GLU A 63 -5.689 3.560 7.038 1.00 64.14 H new ATOM 0 HG2 GLU A 63 -6.761 3.565 4.985 1.00 61.33 H new ATOM 0 HG3 GLU A 63 -7.763 4.671 5.903 1.00 61.33 H new ATOM 1004 N ASN A 64 -5.983 4.443 9.823 1.00 54.25 N ATOM 1005 CA ASN A 64 -6.552 3.782 10.991 1.00 32.22 C ATOM 1006 C ASN A 64 -6.898 4.797 12.076 1.00 11.03 C ATOM 1007 O ASN A 64 -7.934 4.692 12.734 1.00 63.43 O ATOM 1008 CB ASN A 64 -5.573 2.743 11.542 1.00 11.23 C ATOM 1009 CG ASN A 64 -5.282 1.637 10.546 1.00 13.22 C ATOM 1010 OD1 ASN A 64 -4.506 1.820 9.609 1.00 63.44 O ATOM 1011 ND2 ASN A 64 -5.907 0.482 10.746 1.00 45.32 N ATOM 0 H ASN A 64 -4.965 4.508 9.829 1.00 54.25 H new ATOM 0 HA ASN A 64 -7.469 3.280 10.683 1.00 32.22 H new ATOM 0 HB2 ASN A 64 -4.640 3.236 11.816 1.00 11.23 H new ATOM 0 HB3 ASN A 64 -5.984 2.309 12.453 1.00 11.23 H new ATOM 0 HD21 ASN A 64 -5.752 -0.299 10.109 1.00 45.32 H new ATOM 0 HD22 ASN A 64 -6.542 0.376 11.537 1.00 45.32 H new ATOM 1018 N LYS A 65 -6.024 5.781 12.258 1.00 11.12 N ATOM 1019 CA LYS A 65 -6.236 6.818 13.262 1.00 71.45 C ATOM 1020 C LYS A 65 -7.564 7.532 13.034 1.00 53.04 C ATOM 1021 O LYS A 65 -8.140 8.101 13.960 1.00 3.34 O ATOM 1022 CB LYS A 65 -5.088 7.830 13.230 1.00 75.45 C ATOM 1023 CG LYS A 65 -5.133 8.762 12.031 1.00 11.14 C ATOM 1024 CD LYS A 65 -4.020 9.795 12.087 1.00 15.43 C ATOM 1025 CE LYS A 65 -4.409 11.073 11.360 1.00 54.24 C ATOM 1026 NZ LYS A 65 -5.444 11.842 12.104 1.00 14.43 N ATOM 0 H LYS A 65 -5.161 5.883 11.723 1.00 11.12 H new ATOM 0 HA LYS A 65 -6.264 6.341 14.241 1.00 71.45 H new ATOM 0 HB2 LYS A 65 -5.113 8.425 14.143 1.00 75.45 H new ATOM 0 HB3 LYS A 65 -4.140 7.292 13.226 1.00 75.45 H new ATOM 0 HG2 LYS A 65 -5.045 8.180 11.113 1.00 11.14 H new ATOM 0 HG3 LYS A 65 -6.098 9.267 11.997 1.00 11.14 H new ATOM 0 HD2 LYS A 65 -3.786 10.023 13.127 1.00 15.43 H new ATOM 0 HD3 LYS A 65 -3.116 9.382 11.640 1.00 15.43 H new ATOM 0 HE2 LYS A 65 -3.525 11.695 11.221 1.00 54.24 H new ATOM 0 HE3 LYS A 65 -4.784 10.826 10.367 1.00 54.24 H new ATOM 0 HZ1 LYS A 65 -5.452 12.827 11.769 1.00 14.43 H new ATOM 0 HZ2 LYS A 65 -6.378 11.413 11.943 1.00 14.43 H new ATOM 0 HZ3 LYS A 65 -5.226 11.824 13.121 1.00 14.43 H new ATOM 1040 N GLU A 66 -8.046 7.496 11.795 1.00 44.22 N ATOM 1041 CA GLU A 66 -9.307 8.140 11.447 1.00 3.31 C ATOM 1042 C GLU A 66 -10.483 7.198 11.687 1.00 40.05 C ATOM 1043 O GLU A 66 -11.631 7.632 11.787 1.00 23.04 O ATOM 1044 CB GLU A 66 -9.289 8.590 9.985 1.00 50.23 C ATOM 1045 CG GLU A 66 -9.202 7.440 8.995 1.00 2.42 C ATOM 1046 CD GLU A 66 -9.688 7.824 7.611 1.00 30.20 C ATOM 1047 OE1 GLU A 66 -10.740 8.491 7.516 1.00 22.50 O ATOM 1048 OE2 GLU A 66 -9.018 7.457 6.623 1.00 4.44 O ATOM 0 H GLU A 66 -7.582 7.028 11.016 1.00 44.22 H new ATOM 0 HA GLU A 66 -9.428 9.014 12.087 1.00 3.31 H new ATOM 0 HB2 GLU A 66 -10.191 9.167 9.780 1.00 50.23 H new ATOM 0 HB3 GLU A 66 -8.441 9.257 9.829 1.00 50.23 H new ATOM 0 HG2 GLU A 66 -8.169 7.098 8.931 1.00 2.42 H new ATOM 0 HG3 GLU A 66 -9.793 6.602 9.364 1.00 2.42 H new ATOM 1055 N LYS A 67 -10.189 5.905 11.776 1.00 11.30 N ATOM 1056 CA LYS A 67 -11.220 4.900 12.004 1.00 30.22 C ATOM 1057 C LYS A 67 -11.689 4.921 13.455 1.00 30.05 C ATOM 1058 O LYS A 67 -12.862 5.168 13.735 1.00 34.32 O ATOM 1059 CB LYS A 67 -10.692 3.508 11.648 1.00 1.30 C ATOM 1060 CG LYS A 67 -11.007 3.084 10.224 1.00 43.52 C ATOM 1061 CD LYS A 67 -11.021 1.572 10.082 1.00 23.34 C ATOM 1062 CE LYS A 67 -9.647 0.975 10.346 1.00 62.54 C ATOM 1063 NZ LYS A 67 -9.672 -0.514 10.305 1.00 1.15 N ATOM 0 H LYS A 67 -9.245 5.529 11.694 1.00 11.30 H new ATOM 0 HA LYS A 67 -12.069 5.135 11.363 1.00 30.22 H new ATOM 0 HB2 LYS A 67 -9.612 3.490 11.793 1.00 1.30 H new ATOM 0 HB3 LYS A 67 -11.118 2.780 12.338 1.00 1.30 H new ATOM 0 HG2 LYS A 67 -11.976 3.487 9.930 1.00 43.52 H new ATOM 0 HG3 LYS A 67 -10.266 3.507 9.545 1.00 43.52 H new ATOM 0 HD2 LYS A 67 -11.744 1.147 10.778 1.00 23.34 H new ATOM 0 HD3 LYS A 67 -11.349 1.303 9.078 1.00 23.34 H new ATOM 0 HE2 LYS A 67 -8.941 1.347 9.604 1.00 62.54 H new ATOM 0 HE3 LYS A 67 -9.289 1.306 11.321 1.00 62.54 H new ATOM 0 HZ1 LYS A 67 -8.733 -0.884 10.556 1.00 1.15 H new ATOM 0 HZ2 LYS A 67 -10.377 -0.868 10.983 1.00 1.15 H new ATOM 0 HZ3 LYS A 67 -9.924 -0.831 9.347 1.00 1.15 H new ATOM 1077 N TYR A 68 -10.766 4.662 14.375 1.00 45.45 N ATOM 1078 CA TYR A 68 -11.085 4.651 15.797 1.00 31.01 C ATOM 1079 C TYR A 68 -10.078 5.480 16.588 1.00 13.34 C ATOM 1080 O TYR A 68 -10.380 5.975 17.674 1.00 74.24 O ATOM 1081 CB TYR A 68 -11.107 3.215 16.325 1.00 50.42 C ATOM 1082 CG TYR A 68 -11.254 2.173 15.239 1.00 14.42 C ATOM 1083 CD1 TYR A 68 -12.510 1.757 14.814 1.00 41.21 C ATOM 1084 CD2 TYR A 68 -10.138 1.606 14.638 1.00 63.31 C ATOM 1085 CE1 TYR A 68 -12.649 0.805 13.823 1.00 60.10 C ATOM 1086 CE2 TYR A 68 -10.267 0.654 13.645 1.00 33.21 C ATOM 1087 CZ TYR A 68 -11.525 0.256 13.241 1.00 1.45 C ATOM 1088 OH TYR A 68 -11.659 -0.691 12.253 1.00 73.40 O ATOM 0 H TYR A 68 -9.790 4.457 14.161 1.00 45.45 H new ATOM 0 HA TYR A 68 -12.073 5.094 15.925 1.00 31.01 H new ATOM 0 HB2 TYR A 68 -10.186 3.025 16.877 1.00 50.42 H new ATOM 0 HB3 TYR A 68 -11.930 3.109 17.032 1.00 50.42 H new ATOM 0 HD1 TYR A 68 -13.392 2.185 15.266 1.00 41.21 H new ATOM 0 HD2 TYR A 68 -9.152 1.915 14.952 1.00 63.31 H new ATOM 0 HE1 TYR A 68 -13.633 0.492 13.505 1.00 60.10 H new ATOM 0 HE2 TYR A 68 -9.388 0.224 13.188 1.00 33.21 H new ATOM 0 HH TYR A 68 -12.580 -0.688 11.919 1.00 73.40 H new ATOM 1098 N GLY A 69 -8.878 5.628 16.035 1.00 53.40 N ATOM 1099 CA GLY A 69 -7.844 6.398 16.701 1.00 12.50 C ATOM 1100 C GLY A 69 -7.223 5.651 17.864 1.00 32.04 C ATOM 1101 O GLY A 69 -6.132 5.993 18.321 1.00 12.10 O ATOM 0 H GLY A 69 -8.604 5.228 15.138 1.00 53.40 H new ATOM 0 HA2 GLY A 69 -7.066 6.655 15.982 1.00 12.50 H new ATOM 0 HA3 GLY A 69 -8.268 7.336 17.060 1.00 12.50 H new ATOM 1105 N LYS A 70 -7.920 4.628 18.347 1.00 24.34 N ATOM 1106 CA LYS A 70 -7.431 3.829 19.465 1.00 34.03 C ATOM 1107 C LYS A 70 -7.987 2.410 19.404 1.00 72.22 C ATOM 1108 O LYS A 70 -9.020 2.148 18.788 1.00 54.34 O ATOM 1109 CB LYS A 70 -7.819 4.483 20.794 1.00 70.24 C ATOM 1110 CG LYS A 70 -9.234 5.035 20.810 1.00 42.35 C ATOM 1111 CD LYS A 70 -9.801 5.076 22.219 1.00 45.42 C ATOM 1112 CE LYS A 70 -11.280 5.430 22.214 1.00 1.04 C ATOM 1113 NZ LYS A 70 -11.906 5.214 23.548 1.00 23.43 N ATOM 0 H LYS A 70 -8.825 4.333 17.982 1.00 24.34 H new ATOM 0 HA LYS A 70 -6.344 3.778 19.395 1.00 34.03 H new ATOM 0 HB2 LYS A 70 -7.715 3.750 21.594 1.00 70.24 H new ATOM 0 HB3 LYS A 70 -7.120 5.291 21.009 1.00 70.24 H new ATOM 0 HG2 LYS A 70 -9.239 6.039 20.386 1.00 42.35 H new ATOM 0 HG3 LYS A 70 -9.873 4.419 20.178 1.00 42.35 H new ATOM 0 HD2 LYS A 70 -9.659 4.107 22.698 1.00 45.42 H new ATOM 0 HD3 LYS A 70 -9.253 5.808 22.812 1.00 45.42 H new ATOM 0 HE2 LYS A 70 -11.403 6.472 21.919 1.00 1.04 H new ATOM 0 HE3 LYS A 70 -11.796 4.825 21.468 1.00 1.04 H new ATOM 0 HZ1 LYS A 70 -12.914 5.466 23.503 1.00 23.43 H new ATOM 0 HZ2 LYS A 70 -11.811 4.214 23.818 1.00 23.43 H new ATOM 0 HZ3 LYS A 70 -11.431 5.810 24.255 1.00 23.43 H new ATOM 1127 N PRO A 71 -7.288 1.471 20.058 1.00 30.32 N ATOM 1128 CA PRO A 71 -7.694 0.063 20.094 1.00 34.32 C ATOM 1129 C PRO A 71 -8.954 -0.156 20.926 1.00 63.14 C ATOM 1130 O PRO A 71 -9.182 0.535 21.917 1.00 10.50 O ATOM 1131 CB PRO A 71 -6.497 -0.636 20.743 1.00 1.45 C ATOM 1132 CG PRO A 71 -5.838 0.422 21.560 1.00 54.31 C ATOM 1133 CD PRO A 71 -6.047 1.711 20.814 1.00 52.11 C ATOM 0 HA PRO A 71 -7.939 -0.315 19.102 1.00 34.32 H new ATOM 0 HB2 PRO A 71 -6.816 -1.474 21.363 1.00 1.45 H new ATOM 0 HB3 PRO A 71 -5.817 -1.037 19.991 1.00 1.45 H new ATOM 0 HG2 PRO A 71 -6.274 0.473 22.558 1.00 54.31 H new ATOM 0 HG3 PRO A 71 -4.776 0.212 21.687 1.00 54.31 H new ATOM 0 HD2 PRO A 71 -6.148 2.557 21.494 1.00 52.11 H new ATOM 0 HD3 PRO A 71 -5.210 1.932 20.152 1.00 52.11 H new ATOM 1141 N ASN A 72 -9.768 -1.123 20.515 1.00 61.11 N ATOM 1142 CA ASN A 72 -11.005 -1.433 21.223 1.00 41.23 C ATOM 1143 C ASN A 72 -10.810 -2.615 22.167 1.00 2.24 C ATOM 1144 O ASN A 72 -11.004 -2.496 23.377 1.00 15.13 O ATOM 1145 CB ASN A 72 -12.124 -1.742 20.226 1.00 43.43 C ATOM 1146 CG ASN A 72 -13.497 -1.701 20.867 1.00 12.22 C ATOM 1147 OD1 ASN A 72 -13.629 -1.429 22.061 1.00 54.44 O ATOM 1148 ND2 ASN A 72 -14.528 -1.972 20.075 1.00 31.24 N ATOM 0 H ASN A 72 -9.593 -1.705 19.696 1.00 61.11 H new ATOM 0 HA ASN A 72 -11.284 -0.561 21.814 1.00 41.23 H new ATOM 0 HB2 ASN A 72 -12.087 -1.023 19.408 1.00 43.43 H new ATOM 0 HB3 ASN A 72 -11.958 -2.728 19.792 1.00 43.43 H new ATOM 0 HD21 ASN A 72 -15.476 -1.960 20.450 1.00 31.24 H new ATOM 0 HD22 ASN A 72 -14.371 -2.192 19.091 1.00 31.24 H new ATOM 1155 N LYS A 73 -10.423 -3.756 21.607 1.00 53.33 N ATOM 1156 CA LYS A 73 -10.199 -4.960 22.397 1.00 34.14 C ATOM 1157 C LYS A 73 -8.772 -5.469 22.221 1.00 74.30 C ATOM 1158 O LYS A 73 -8.525 -6.675 22.253 1.00 53.11 O ATOM 1159 CB LYS A 73 -11.195 -6.051 21.996 1.00 2.01 C ATOM 1160 CG LYS A 73 -12.544 -5.926 22.683 1.00 24.20 C ATOM 1161 CD LYS A 73 -13.501 -7.018 22.235 1.00 24.22 C ATOM 1162 CE LYS A 73 -14.106 -6.705 20.876 1.00 75.33 C ATOM 1163 NZ LYS A 73 -14.764 -7.898 20.273 1.00 24.34 N ATOM 0 H LYS A 73 -10.258 -3.872 20.607 1.00 53.33 H new ATOM 0 HA LYS A 73 -10.349 -4.708 23.447 1.00 34.14 H new ATOM 0 HB2 LYS A 73 -11.342 -6.018 20.916 1.00 2.01 H new ATOM 0 HB3 LYS A 73 -10.767 -7.026 22.230 1.00 2.01 H new ATOM 0 HG2 LYS A 73 -12.410 -5.979 23.763 1.00 24.20 H new ATOM 0 HG3 LYS A 73 -12.976 -4.950 22.464 1.00 24.20 H new ATOM 0 HD2 LYS A 73 -12.972 -7.970 22.189 1.00 24.22 H new ATOM 0 HD3 LYS A 73 -14.297 -7.131 22.971 1.00 24.22 H new ATOM 0 HE2 LYS A 73 -14.835 -5.902 20.980 1.00 75.33 H new ATOM 0 HE3 LYS A 73 -13.326 -6.343 20.206 1.00 75.33 H new ATOM 0 HZ1 LYS A 73 -15.164 -7.643 19.347 1.00 24.34 H new ATOM 0 HZ2 LYS A 73 -14.063 -8.656 20.150 1.00 24.34 H new ATOM 0 HZ3 LYS A 73 -15.525 -8.229 20.900 1.00 24.34 H new ATOM 1177 N ARG A 74 -7.837 -4.543 22.036 1.00 31.33 N ATOM 1178 CA ARG A 74 -6.435 -4.899 21.855 1.00 21.23 C ATOM 1179 C ARG A 74 -5.639 -4.637 23.130 1.00 24.33 C ATOM 1180 O ARG A 74 -5.579 -3.508 23.618 1.00 74.23 O ATOM 1181 CB ARG A 74 -5.832 -4.108 20.693 1.00 21.11 C ATOM 1182 CG ARG A 74 -6.658 -4.173 19.419 1.00 40.41 C ATOM 1183 CD ARG A 74 -6.815 -5.603 18.928 1.00 23.54 C ATOM 1184 NE ARG A 74 -8.098 -6.179 19.320 1.00 14.05 N ATOM 1185 CZ ARG A 74 -8.312 -7.484 19.444 1.00 63.34 C ATOM 1186 NH1 ARG A 74 -7.331 -8.345 19.207 1.00 52.21 N ATOM 1187 NH2 ARG A 74 -9.508 -7.931 19.805 1.00 62.23 N ATOM 0 H ARG A 74 -8.025 -3.541 22.008 1.00 31.33 H new ATOM 0 HA ARG A 74 -6.383 -5.964 21.627 1.00 21.23 H new ATOM 0 HB2 ARG A 74 -5.722 -3.066 20.992 1.00 21.11 H new ATOM 0 HB3 ARG A 74 -4.831 -4.487 20.487 1.00 21.11 H new ATOM 0 HG2 ARG A 74 -7.642 -3.739 19.600 1.00 40.41 H new ATOM 0 HG3 ARG A 74 -6.182 -3.572 18.645 1.00 40.41 H new ATOM 0 HD2 ARG A 74 -6.724 -5.625 17.842 1.00 23.54 H new ATOM 0 HD3 ARG A 74 -6.006 -6.214 19.328 1.00 23.54 H new ATOM 0 HE ARG A 74 -8.873 -5.544 19.509 1.00 14.05 H new ATOM 0 HH11 ARG A 74 -6.410 -8.005 18.929 1.00 52.21 H new ATOM 0 HH12 ARG A 74 -7.497 -9.347 19.303 1.00 52.21 H new ATOM 0 HH21 ARG A 74 -10.265 -7.272 19.988 1.00 62.23 H new ATOM 0 HH22 ARG A 74 -9.671 -8.934 19.900 1.00 62.23 H new ATOM 1201 N LYS A 75 -5.028 -5.688 23.666 1.00 23.45 N ATOM 1202 CA LYS A 75 -4.234 -5.574 24.884 1.00 0.32 C ATOM 1203 C LYS A 75 -3.083 -4.591 24.693 1.00 15.52 C ATOM 1204 O LYS A 75 -2.474 -4.533 23.626 1.00 23.32 O ATOM 1205 CB LYS A 75 -3.686 -6.943 25.291 1.00 31.43 C ATOM 1206 CG LYS A 75 -2.730 -7.543 24.274 1.00 12.24 C ATOM 1207 CD LYS A 75 -1.917 -8.677 24.875 1.00 62.22 C ATOM 1208 CE LYS A 75 -1.219 -9.494 23.798 1.00 51.43 C ATOM 1209 NZ LYS A 75 -0.117 -8.730 23.150 1.00 63.21 N ATOM 0 H LYS A 75 -5.067 -6.630 23.276 1.00 23.45 H new ATOM 0 HA LYS A 75 -4.882 -5.199 25.676 1.00 0.32 H new ATOM 0 HB2 LYS A 75 -3.173 -6.850 26.248 1.00 31.43 H new ATOM 0 HB3 LYS A 75 -4.520 -7.629 25.442 1.00 31.43 H new ATOM 0 HG2 LYS A 75 -3.294 -7.912 23.417 1.00 12.24 H new ATOM 0 HG3 LYS A 75 -2.058 -6.769 23.904 1.00 12.24 H new ATOM 0 HD2 LYS A 75 -1.175 -8.270 25.562 1.00 62.22 H new ATOM 0 HD3 LYS A 75 -2.571 -9.325 25.459 1.00 62.22 H new ATOM 0 HE2 LYS A 75 -0.818 -10.407 24.237 1.00 51.43 H new ATOM 0 HE3 LYS A 75 -1.945 -9.795 23.043 1.00 51.43 H new ATOM 0 HZ1 LYS A 75 0.334 -9.321 22.422 1.00 63.21 H new ATOM 0 HZ2 LYS A 75 -0.503 -7.871 22.709 1.00 63.21 H new ATOM 0 HZ3 LYS A 75 0.589 -8.464 23.866 1.00 63.21 H new ATOM 1223 N GLY A 76 -2.791 -3.819 25.736 1.00 51.33 N ATOM 1224 CA GLY A 76 -1.713 -2.849 25.662 1.00 34.50 C ATOM 1225 C GLY A 76 -2.203 -1.466 25.284 1.00 11.41 C ATOM 1226 O GLY A 76 -1.406 -0.582 24.967 1.00 73.32 O ATOM 0 H GLY A 76 -3.281 -3.848 26.630 1.00 51.33 H new ATOM 0 HA2 GLY A 76 -1.205 -2.801 26.625 1.00 34.50 H new ATOM 0 HA3 GLY A 76 -0.977 -3.183 24.930 1.00 34.50 H new ATOM 1230 N PHE A 77 -3.518 -1.276 25.316 1.00 10.21 N ATOM 1231 CA PHE A 77 -4.113 0.010 24.972 1.00 54.05 C ATOM 1232 C PHE A 77 -3.693 1.088 25.966 1.00 12.03 C ATOM 1233 O PHE A 77 -3.452 0.805 27.139 1.00 14.21 O ATOM 1234 CB PHE A 77 -5.639 -0.103 24.939 1.00 40.22 C ATOM 1235 CG PHE A 77 -6.236 -0.539 26.246 1.00 20.40 C ATOM 1236 CD1 PHE A 77 -6.523 0.387 27.235 1.00 13.04 C ATOM 1237 CD2 PHE A 77 -6.509 -1.876 26.486 1.00 74.53 C ATOM 1238 CE1 PHE A 77 -7.073 -0.011 28.439 1.00 31.34 C ATOM 1239 CE2 PHE A 77 -7.059 -2.281 27.687 1.00 15.44 C ATOM 1240 CZ PHE A 77 -7.340 -1.347 28.666 1.00 75.11 C ATOM 0 H PHE A 77 -4.192 -1.996 25.577 1.00 10.21 H new ATOM 0 HA PHE A 77 -3.755 0.294 23.983 1.00 54.05 H new ATOM 0 HB2 PHE A 77 -6.061 0.863 24.660 1.00 40.22 H new ATOM 0 HB3 PHE A 77 -5.926 -0.812 24.163 1.00 40.22 H new ATOM 0 HD1 PHE A 77 -6.315 1.433 27.063 1.00 13.04 H new ATOM 0 HD2 PHE A 77 -6.289 -2.610 25.725 1.00 74.53 H new ATOM 0 HE1 PHE A 77 -7.294 0.722 29.201 1.00 31.34 H new ATOM 0 HE2 PHE A 77 -7.269 -3.326 27.860 1.00 15.44 H new ATOM 0 HZ PHE A 77 -7.768 -1.661 29.607 1.00 75.11 H new ATOM 1250 N ASN A 78 -3.607 2.325 25.488 1.00 41.01 N ATOM 1251 CA ASN A 78 -3.215 3.446 26.334 1.00 4.22 C ATOM 1252 C ASN A 78 -1.782 3.277 26.831 1.00 11.43 C ATOM 1253 O ASN A 78 -1.405 3.828 27.865 1.00 40.21 O ATOM 1254 CB ASN A 78 -4.168 3.572 27.524 1.00 21.33 C ATOM 1255 CG ASN A 78 -4.930 4.883 27.519 1.00 4.12 C ATOM 1256 OD1 ASN A 78 -6.155 4.902 27.633 1.00 53.25 O ATOM 1257 ND2 ASN A 78 -4.204 5.988 27.387 1.00 75.31 N ATOM 0 H ASN A 78 -3.804 2.576 24.519 1.00 41.01 H new ATOM 0 HA ASN A 78 -3.269 4.356 25.737 1.00 4.22 H new ATOM 0 HB2 ASN A 78 -4.876 2.743 27.508 1.00 21.33 H new ATOM 0 HB3 ASN A 78 -3.600 3.488 28.451 1.00 21.33 H new ATOM 0 HD21 ASN A 78 -4.661 6.900 27.377 1.00 75.31 H new ATOM 0 HD22 ASN A 78 -3.190 5.924 27.295 1.00 75.31 H new ATOM 1264 N GLU A 79 -0.989 2.512 26.087 1.00 14.50 N ATOM 1265 CA GLU A 79 0.401 2.271 26.453 1.00 44.41 C ATOM 1266 C GLU A 79 1.346 2.799 25.377 1.00 3.21 C ATOM 1267 O GLU A 79 2.177 2.062 24.849 1.00 22.50 O ATOM 1268 CB GLU A 79 0.643 0.776 26.670 1.00 11.24 C ATOM 1269 CG GLU A 79 -0.332 0.138 27.645 1.00 32.41 C ATOM 1270 CD GLU A 79 -0.506 0.950 28.913 1.00 2.44 C ATOM 1271 OE1 GLU A 79 0.516 1.386 29.484 1.00 12.10 O ATOM 1272 OE2 GLU A 79 -1.664 1.151 29.335 1.00 73.22 O ATOM 0 H GLU A 79 -1.286 2.049 25.228 1.00 14.50 H new ATOM 0 HA GLU A 79 0.602 2.803 27.383 1.00 44.41 H new ATOM 0 HB2 GLU A 79 0.574 0.262 25.711 1.00 11.24 H new ATOM 0 HB3 GLU A 79 1.659 0.630 27.037 1.00 11.24 H new ATOM 0 HG2 GLU A 79 -1.300 0.019 27.159 1.00 32.41 H new ATOM 0 HG3 GLU A 79 0.020 -0.861 27.903 1.00 32.41 H new ATOM 1279 N GLY A 80 1.212 4.083 25.057 1.00 35.21 N ATOM 1280 CA GLY A 80 2.058 4.688 24.046 1.00 43.01 C ATOM 1281 C GLY A 80 1.275 5.143 22.830 1.00 23.52 C ATOM 1282 O GLY A 80 1.829 5.765 21.923 1.00 71.12 O ATOM 0 H GLY A 80 0.532 4.715 25.481 1.00 35.21 H new ATOM 0 HA2 GLY A 80 2.581 5.541 24.478 1.00 43.01 H new ATOM 0 HA3 GLY A 80 2.819 3.971 23.737 1.00 43.01 H new ATOM 1286 N LEU A 81 -0.016 4.830 22.810 1.00 42.54 N ATOM 1287 CA LEU A 81 -0.877 5.210 21.695 1.00 61.43 C ATOM 1288 C LEU A 81 -0.807 6.712 21.439 1.00 32.22 C ATOM 1289 O LEU A 81 -0.839 7.158 20.293 1.00 44.35 O ATOM 1290 CB LEU A 81 -2.322 4.795 21.977 1.00 50.21 C ATOM 1291 CG LEU A 81 -3.368 5.282 20.974 1.00 51.15 C ATOM 1292 CD1 LEU A 81 -3.628 4.221 19.916 1.00 61.31 C ATOM 1293 CD2 LEU A 81 -4.660 5.654 21.687 1.00 24.45 C ATOM 0 H LEU A 81 -0.489 4.315 23.552 1.00 42.54 H new ATOM 0 HA LEU A 81 -0.524 4.692 20.803 1.00 61.43 H new ATOM 0 HB2 LEU A 81 -2.365 3.707 22.017 1.00 50.21 H new ATOM 0 HB3 LEU A 81 -2.598 5.161 22.966 1.00 50.21 H new ATOM 0 HG LEU A 81 -2.981 6.173 20.479 1.00 51.15 H new ATOM 0 HD11 LEU A 81 -4.375 4.586 19.211 1.00 61.31 H new ATOM 0 HD12 LEU A 81 -2.702 4.004 19.383 1.00 61.31 H new ATOM 0 HD13 LEU A 81 -3.993 3.312 20.394 1.00 61.31 H new ATOM 0 HD21 LEU A 81 -5.392 5.998 20.957 1.00 24.45 H new ATOM 0 HD22 LEU A 81 -5.051 4.781 22.210 1.00 24.45 H new ATOM 0 HD23 LEU A 81 -4.463 6.449 22.406 1.00 24.45 H new ATOM 1305 N TRP A 82 -0.711 7.485 22.514 1.00 5.34 N ATOM 1306 CA TRP A 82 -0.634 8.938 22.406 1.00 20.22 C ATOM 1307 C TRP A 82 0.787 9.385 22.083 1.00 42.43 C ATOM 1308 O TRP A 82 1.009 10.522 21.666 1.00 60.42 O ATOM 1309 CB TRP A 82 -1.104 9.592 23.706 1.00 14.13 C ATOM 1310 CG TRP A 82 -0.859 11.070 23.750 1.00 25.15 C ATOM 1311 CD1 TRP A 82 -1.700 12.054 23.317 1.00 14.12 C ATOM 1312 CD2 TRP A 82 0.308 11.730 24.254 1.00 31.21 C ATOM 1313 NE1 TRP A 82 -1.127 13.286 23.521 1.00 14.31 N ATOM 1314 CE2 TRP A 82 0.104 13.115 24.095 1.00 22.45 C ATOM 1315 CE3 TRP A 82 1.503 11.286 24.826 1.00 45.25 C ATOM 1316 CZ2 TRP A 82 1.053 14.056 24.487 1.00 73.23 C ATOM 1317 CZ3 TRP A 82 2.444 12.222 25.213 1.00 31.50 C ATOM 1318 CH2 TRP A 82 2.214 13.593 25.043 1.00 2.32 C ATOM 0 H TRP A 82 -0.685 7.131 23.470 1.00 5.34 H new ATOM 0 HA TRP A 82 -1.288 9.252 21.592 1.00 20.22 H new ATOM 0 HB2 TRP A 82 -2.170 9.404 23.834 1.00 14.13 H new ATOM 0 HB3 TRP A 82 -0.594 9.121 24.546 1.00 14.13 H new ATOM 0 HD1 TRP A 82 -2.673 11.888 22.878 1.00 14.12 H new ATOM 0 HE1 TRP A 82 -1.550 14.183 23.283 1.00 14.31 H new ATOM 0 HE3 TRP A 82 1.688 10.231 24.963 1.00 45.25 H new ATOM 0 HZ2 TRP A 82 0.878 15.114 24.357 1.00 73.23 H new ATOM 0 HZ3 TRP A 82 3.372 11.890 25.654 1.00 31.50 H new ATOM 0 HH2 TRP A 82 2.968 14.299 25.357 1.00 2.32 H new ATOM 1329 N GLU A 83 1.746 8.485 22.277 1.00 34.04 N ATOM 1330 CA GLU A 83 3.146 8.790 22.006 1.00 35.41 C ATOM 1331 C GLU A 83 3.458 8.634 20.521 1.00 62.04 C ATOM 1332 O GLU A 83 4.425 9.206 20.016 1.00 62.40 O ATOM 1333 CB GLU A 83 4.058 7.877 22.829 1.00 52.42 C ATOM 1334 CG GLU A 83 4.213 8.316 24.275 1.00 35.14 C ATOM 1335 CD GLU A 83 5.013 7.328 25.102 1.00 51.21 C ATOM 1336 OE1 GLU A 83 5.424 6.287 24.549 1.00 33.31 O ATOM 1337 OE2 GLU A 83 5.228 7.598 26.302 1.00 25.33 O ATOM 0 H GLU A 83 1.579 7.539 22.621 1.00 34.04 H new ATOM 0 HA GLU A 83 3.328 9.826 22.291 1.00 35.41 H new ATOM 0 HB2 GLU A 83 3.659 6.863 22.807 1.00 52.42 H new ATOM 0 HB3 GLU A 83 5.042 7.843 22.361 1.00 52.42 H new ATOM 0 HG2 GLU A 83 4.703 9.289 24.305 1.00 35.14 H new ATOM 0 HG3 GLU A 83 3.226 8.442 24.720 1.00 35.14 H new ATOM 1344 N ILE A 84 2.634 7.856 19.827 1.00 52.51 N ATOM 1345 CA ILE A 84 2.822 7.626 18.400 1.00 73.21 C ATOM 1346 C ILE A 84 2.743 8.932 17.617 1.00 44.10 C ATOM 1347 O ILE A 84 3.317 9.054 16.535 1.00 41.25 O ATOM 1348 CB ILE A 84 1.772 6.644 17.845 1.00 3.44 C ATOM 1349 CG1 ILE A 84 2.223 6.094 16.491 1.00 54.15 C ATOM 1350 CG2 ILE A 84 0.420 7.329 17.722 1.00 55.41 C ATOM 1351 CD1 ILE A 84 1.241 5.120 15.877 1.00 10.14 C ATOM 0 H ILE A 84 1.830 7.374 20.230 1.00 52.51 H new ATOM 0 HA ILE A 84 3.814 7.192 18.279 1.00 73.21 H new ATOM 0 HB ILE A 84 1.672 5.810 18.539 1.00 3.44 H new ATOM 0 HG12 ILE A 84 2.376 6.925 15.803 1.00 54.15 H new ATOM 0 HG13 ILE A 84 3.186 5.599 16.612 1.00 54.15 H new ATOM 0 HG21 ILE A 84 -0.311 6.623 17.329 1.00 55.41 H new ATOM 0 HG22 ILE A 84 0.097 7.676 18.704 1.00 55.41 H new ATOM 0 HG23 ILE A 84 0.503 8.180 17.045 1.00 55.41 H new ATOM 0 HD11 ILE A 84 1.626 4.771 14.919 1.00 10.14 H new ATOM 0 HD12 ILE A 84 1.106 4.270 16.545 1.00 10.14 H new ATOM 0 HD13 ILE A 84 0.283 5.617 15.724 1.00 10.14 H new ATOM 1363 N ASP A 85 2.031 9.906 18.172 1.00 4.43 N ATOM 1364 CA ASP A 85 1.880 11.206 17.528 1.00 62.32 C ATOM 1365 C ASP A 85 2.545 12.303 18.353 1.00 23.44 C ATOM 1366 O ASP A 85 2.433 13.486 18.037 1.00 71.14 O ATOM 1367 CB ASP A 85 0.399 11.529 17.326 1.00 41.42 C ATOM 1368 CG ASP A 85 -0.101 11.120 15.955 1.00 74.34 C ATOM 1369 OD1 ASP A 85 0.624 10.383 15.255 1.00 70.14 O ATOM 1370 OD2 ASP A 85 -1.218 11.537 15.581 1.00 30.52 O ATOM 0 H ASP A 85 1.549 9.820 19.067 1.00 4.43 H new ATOM 0 HA ASP A 85 2.371 11.161 16.556 1.00 62.32 H new ATOM 0 HB2 ASP A 85 -0.188 11.020 18.090 1.00 41.42 H new ATOM 0 HB3 ASP A 85 0.242 12.599 17.463 1.00 41.42 H new ATOM 1375 N ASN A 86 3.237 11.900 19.414 1.00 5.23 N ATOM 1376 CA ASN A 86 3.919 12.849 20.287 1.00 45.22 C ATOM 1377 C ASN A 86 5.368 12.431 20.518 1.00 3.14 C ATOM 1378 O ASN A 86 6.296 13.076 20.032 1.00 2.02 O ATOM 1379 CB ASN A 86 3.188 12.959 21.626 1.00 22.23 C ATOM 1380 CG ASN A 86 1.932 13.803 21.532 1.00 41.21 C ATOM 1381 OD1 ASN A 86 1.937 14.984 21.879 1.00 3.30 O ATOM 1382 ND2 ASN A 86 0.847 13.199 21.061 1.00 45.24 N ATOM 0 H ASN A 86 3.340 10.923 19.690 1.00 5.23 H new ATOM 0 HA ASN A 86 3.914 13.823 19.798 1.00 45.22 H new ATOM 0 HB2 ASN A 86 2.926 11.961 21.977 1.00 22.23 H new ATOM 0 HB3 ASN A 86 3.859 13.392 22.368 1.00 22.23 H new ATOM 0 HD21 ASN A 86 -0.028 13.716 20.975 1.00 45.24 H new ATOM 0 HD22 ASN A 86 0.889 12.218 20.785 1.00 45.24 H new ATOM 1389 N ASN A 87 5.554 11.347 21.264 1.00 34.50 N ATOM 1390 CA ASN A 87 6.889 10.842 21.560 1.00 24.33 C ATOM 1391 C ASN A 87 7.122 9.491 20.890 1.00 55.11 C ATOM 1392 O ASN A 87 7.111 8.441 21.533 1.00 40.04 O ATOM 1393 CB ASN A 87 7.085 10.714 23.072 1.00 20.53 C ATOM 1394 CG ASN A 87 8.515 10.372 23.443 1.00 22.03 C ATOM 1395 OD1 ASN A 87 9.313 9.981 22.591 1.00 32.51 O ATOM 1396 ND2 ASN A 87 8.846 10.519 24.721 1.00 60.20 N ATOM 0 H ASN A 87 4.796 10.801 21.675 1.00 34.50 H new ATOM 0 HA ASN A 87 7.614 11.553 21.165 1.00 24.33 H new ATOM 0 HB2 ASN A 87 6.802 11.650 23.553 1.00 20.53 H new ATOM 0 HB3 ASN A 87 6.418 9.943 23.458 1.00 20.53 H new ATOM 0 HD21 ASN A 87 9.794 10.305 25.030 1.00 60.20 H new ATOM 0 HD22 ASN A 87 8.152 10.846 25.393 1.00 60.20 H new ATOM 1403 N PRO A 88 7.337 9.517 19.566 1.00 30.32 N ATOM 1404 CA PRO A 88 7.577 8.303 18.780 1.00 41.34 C ATOM 1405 C PRO A 88 8.931 7.672 19.087 1.00 73.14 C ATOM 1406 O PRO A 88 9.230 6.568 18.632 1.00 60.43 O ATOM 1407 CB PRO A 88 7.536 8.804 17.334 1.00 43.13 C ATOM 1408 CG PRO A 88 7.906 10.245 17.421 1.00 22.50 C ATOM 1409 CD PRO A 88 7.363 10.732 18.736 1.00 43.53 C ATOM 0 HA PRO A 88 6.845 7.525 18.997 1.00 41.34 H new ATOM 0 HB2 PRO A 88 8.235 8.253 16.704 1.00 43.13 H new ATOM 0 HB3 PRO A 88 6.545 8.675 16.899 1.00 43.13 H new ATOM 0 HG2 PRO A 88 8.987 10.374 17.373 1.00 22.50 H new ATOM 0 HG3 PRO A 88 7.481 10.808 16.590 1.00 22.50 H new ATOM 0 HD2 PRO A 88 7.998 11.503 19.172 1.00 43.53 H new ATOM 0 HD3 PRO A 88 6.368 11.164 18.625 1.00 43.53 H new ATOM 1417 N LYS A 89 9.746 8.379 19.861 1.00 1.05 N ATOM 1418 CA LYS A 89 11.068 7.888 20.232 1.00 61.45 C ATOM 1419 C LYS A 89 11.128 7.554 21.719 1.00 72.43 C ATOM 1420 O LYS A 89 12.194 7.596 22.332 1.00 22.53 O ATOM 1421 CB LYS A 89 12.136 8.929 19.889 1.00 62.45 C ATOM 1422 CG LYS A 89 12.390 9.071 18.398 1.00 41.12 C ATOM 1423 CD LYS A 89 13.756 9.676 18.120 1.00 10.11 C ATOM 1424 CE LYS A 89 13.788 11.159 18.458 1.00 21.43 C ATOM 1425 NZ LYS A 89 15.163 11.721 18.357 1.00 23.13 N ATOM 0 H LYS A 89 9.514 9.295 20.244 1.00 1.05 H new ATOM 0 HA LYS A 89 11.261 6.977 19.665 1.00 61.45 H new ATOM 0 HB2 LYS A 89 11.832 9.895 20.291 1.00 62.45 H new ATOM 0 HB3 LYS A 89 13.068 8.657 20.384 1.00 62.45 H new ATOM 0 HG2 LYS A 89 12.320 8.093 17.921 1.00 41.12 H new ATOM 0 HG3 LYS A 89 11.616 9.698 17.954 1.00 41.12 H new ATOM 0 HD2 LYS A 89 14.513 9.152 18.704 1.00 10.11 H new ATOM 0 HD3 LYS A 89 14.010 9.536 17.069 1.00 10.11 H new ATOM 0 HE2 LYS A 89 13.124 11.700 17.783 1.00 21.43 H new ATOM 0 HE3 LYS A 89 13.407 11.310 19.468 1.00 21.43 H new ATOM 0 HZ1 LYS A 89 15.143 12.733 18.595 1.00 23.13 H new ATOM 0 HZ2 LYS A 89 15.791 11.222 19.019 1.00 23.13 H new ATOM 0 HZ3 LYS A 89 15.517 11.600 17.387 1.00 23.13 H new ATOM 1439 N VAL A 90 9.976 7.221 22.293 1.00 71.45 N ATOM 1440 CA VAL A 90 9.898 6.877 23.707 1.00 31.32 C ATOM 1441 C VAL A 90 10.806 5.697 24.037 1.00 74.02 C ATOM 1442 O VAL A 90 11.220 5.519 25.183 1.00 74.35 O ATOM 1443 CB VAL A 90 8.455 6.532 24.122 1.00 22.13 C ATOM 1444 CG1 VAL A 90 7.983 5.271 23.415 1.00 30.44 C ATOM 1445 CG2 VAL A 90 8.359 6.375 25.632 1.00 31.43 C ATOM 0 H VAL A 90 9.084 7.182 21.800 1.00 71.45 H new ATOM 0 HA VAL A 90 10.229 7.753 24.264 1.00 31.32 H new ATOM 0 HB VAL A 90 7.803 7.352 23.823 1.00 22.13 H new ATOM 0 HG11 VAL A 90 6.962 5.043 23.721 1.00 30.44 H new ATOM 0 HG12 VAL A 90 8.013 5.426 22.336 1.00 30.44 H new ATOM 0 HG13 VAL A 90 8.635 4.439 23.681 1.00 30.44 H new ATOM 0 HG21 VAL A 90 7.333 6.131 25.908 1.00 31.43 H new ATOM 0 HG22 VAL A 90 9.022 5.574 25.957 1.00 31.43 H new ATOM 0 HG23 VAL A 90 8.653 7.307 26.114 1.00 31.43 H new ATOM 1455 N LYS A 91 11.112 4.893 23.025 1.00 64.24 N ATOM 1456 CA LYS A 91 11.973 3.730 23.205 1.00 61.35 C ATOM 1457 C LYS A 91 13.276 4.119 23.896 1.00 33.44 C ATOM 1458 O LYS A 91 13.871 3.317 24.616 1.00 22.23 O ATOM 1459 CB LYS A 91 12.276 3.079 21.853 1.00 53.43 C ATOM 1460 CG LYS A 91 12.940 4.019 20.861 1.00 71.21 C ATOM 1461 CD LYS A 91 14.455 3.920 20.928 1.00 73.02 C ATOM 1462 CE LYS A 91 15.111 5.277 20.727 1.00 42.23 C ATOM 1463 NZ LYS A 91 15.340 5.575 19.286 1.00 75.35 N ATOM 0 H LYS A 91 10.776 5.025 22.071 1.00 64.24 H new ATOM 0 HA LYS A 91 11.446 3.014 23.836 1.00 61.35 H new ATOM 0 HB2 LYS A 91 12.922 2.216 22.011 1.00 53.43 H new ATOM 0 HB3 LYS A 91 11.347 2.707 21.422 1.00 53.43 H new ATOM 0 HG2 LYS A 91 12.603 3.782 19.852 1.00 71.21 H new ATOM 0 HG3 LYS A 91 12.632 5.044 21.067 1.00 71.21 H new ATOM 0 HD2 LYS A 91 14.752 3.511 21.894 1.00 73.02 H new ATOM 0 HD3 LYS A 91 14.810 3.227 20.165 1.00 73.02 H new ATOM 0 HE2 LYS A 91 14.481 6.053 21.163 1.00 42.23 H new ATOM 0 HE3 LYS A 91 16.062 5.303 21.259 1.00 42.23 H new ATOM 0 HZ1 LYS A 91 15.789 6.509 19.192 1.00 75.35 H new ATOM 0 HZ2 LYS A 91 15.962 4.849 18.876 1.00 75.35 H new ATOM 0 HZ3 LYS A 91 14.430 5.576 18.783 1.00 75.35 H new ATOM 1477 N PHE A 92 13.712 5.354 23.675 1.00 42.13 N ATOM 1478 CA PHE A 92 14.944 5.849 24.277 1.00 3.35 C ATOM 1479 C PHE A 92 14.901 5.710 25.796 1.00 13.24 C ATOM 1480 O PHE A 92 14.279 6.518 26.487 1.00 63.21 O ATOM 1481 CB PHE A 92 15.172 7.313 23.894 1.00 10.04 C ATOM 1482 CG PHE A 92 16.367 7.929 24.564 1.00 13.15 C ATOM 1483 CD1 PHE A 92 17.586 7.272 24.577 1.00 64.13 C ATOM 1484 CD2 PHE A 92 16.270 9.165 25.183 1.00 51.43 C ATOM 1485 CE1 PHE A 92 18.688 7.836 25.192 1.00 11.21 C ATOM 1486 CE2 PHE A 92 17.368 9.735 25.799 1.00 30.22 C ATOM 1487 CZ PHE A 92 18.578 9.069 25.805 1.00 21.11 C ATOM 0 H PHE A 92 13.230 6.031 23.083 1.00 42.13 H new ATOM 0 HA PHE A 92 15.771 5.249 23.898 1.00 3.35 H new ATOM 0 HB2 PHE A 92 15.295 7.382 22.813 1.00 10.04 H new ATOM 0 HB3 PHE A 92 14.284 7.890 24.151 1.00 10.04 H new ATOM 0 HD1 PHE A 92 17.677 6.307 24.101 1.00 64.13 H new ATOM 0 HD2 PHE A 92 15.326 9.689 25.184 1.00 51.43 H new ATOM 0 HE1 PHE A 92 19.633 7.314 25.193 1.00 11.21 H new ATOM 0 HE2 PHE A 92 17.280 10.700 26.275 1.00 30.22 H new ATOM 0 HZ PHE A 92 19.437 9.511 26.288 1.00 21.11 H new ATOM 1497 N SER A 93 15.565 4.679 26.310 1.00 51.55 N ATOM 1498 CA SER A 93 15.599 4.431 27.746 1.00 61.10 C ATOM 1499 C SER A 93 16.621 5.334 28.429 1.00 2.15 C ATOM 1500 O SER A 93 17.772 4.947 28.627 1.00 13.13 O ATOM 1501 CB SER A 93 15.932 2.964 28.023 1.00 21.42 C ATOM 1502 OG SER A 93 14.844 2.121 27.685 1.00 10.04 O ATOM 0 H SER A 93 16.087 4.002 25.753 1.00 51.55 H new ATOM 0 HA SER A 93 14.613 4.656 28.152 1.00 61.10 H new ATOM 0 HB2 SER A 93 16.813 2.673 27.450 1.00 21.42 H new ATOM 0 HB3 SER A 93 16.181 2.837 29.077 1.00 21.42 H new ATOM 0 HG SER A 93 15.083 1.189 27.870 1.00 10.04 H new TER 1508 SER A 93