USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 709 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 5 GLN : amide:sc= -1.69! X(o=-1.2!,f=-0.8) USER MOD Set 1.2: A 72 THR OG1 : rot -108:sc= 0.483 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0576 (180deg=-0.345) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.61) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0471 USER MOD Single : A 10 SER OG : rot 140:sc= -0.257 USER MOD Single : A 12 ASN : amide:sc= 0.0234 K(o=0.023,f=-2.1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.222 K(o=0.22,f=-1.4!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 38 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.05) USER MOD Single : A 42 GLN : amide:sc= -0.566 K(o=-0.57,f=-4.5!) USER MOD Single : A 44 THR OG1 : rot 170:sc= 0 USER MOD Single : A 47 SER OG : rot -120:sc= -1.61 USER MOD Single : A 48 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.04) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.389 (180deg=0.369) USER MOD Single : A 51 ASN : amide:sc= -0.0446 X(o=-0.045,f=-0.018) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= 1.53 (180deg=0.242) USER MOD Single : A 66 ASN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 76 SER OG : rot 47:sc= 0.189 USER MOD Single : A 79 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.74) USER MOD Single : A 81 HIS : no HD1:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.452 14.255 -14.833 1.00 25.35 N ATOM 2 CA MET A 1 0.240 13.143 -15.776 1.00 32.03 C ATOM 3 C MET A 1 1.073 11.924 -15.337 1.00 44.15 C ATOM 4 O MET A 1 2.312 12.006 -15.293 1.00 13.14 O ATOM 5 CB MET A 1 0.630 13.587 -17.214 1.00 4.53 C ATOM 6 CG MET A 1 0.420 12.521 -18.304 1.00 4.02 C ATOM 7 SD MET A 1 0.932 13.077 -19.948 1.00 13.11 S ATOM 8 CE MET A 1 -0.177 14.458 -20.243 1.00 5.25 C ATOM 0 H1 MET A 1 -0.112 15.076 -15.132 1.00 25.35 H new ATOM 0 H2 MET A 1 0.158 13.962 -13.879 1.00 25.35 H new ATOM 0 H3 MET A 1 1.460 14.513 -14.821 1.00 25.35 H new ATOM 0 HA MET A 1 -0.813 12.863 -15.776 1.00 32.03 H new ATOM 0 HB2 MET A 1 0.049 14.471 -17.475 1.00 4.53 H new ATOM 0 HB3 MET A 1 1.679 13.884 -17.214 1.00 4.53 H new ATOM 0 HG2 MET A 1 0.980 11.624 -18.039 1.00 4.02 H new ATOM 0 HG3 MET A 1 -0.633 12.242 -18.333 1.00 4.02 H new ATOM 0 HE1 MET A 1 -0.145 14.731 -21.298 1.00 5.25 H new ATOM 0 HE2 MET A 1 -1.194 14.172 -19.973 1.00 5.25 H new ATOM 0 HE3 MET A 1 0.134 15.310 -19.638 1.00 5.25 H new ATOM 20 N GLY A 2 0.388 10.811 -14.990 1.00 64.32 N ATOM 21 CA GLY A 2 1.059 9.552 -14.622 1.00 72.13 C ATOM 22 C GLY A 2 0.265 8.732 -13.601 1.00 22.42 C ATOM 23 O GLY A 2 -0.418 9.298 -12.732 1.00 51.41 O ATOM 0 H GLY A 2 -0.630 10.763 -14.958 1.00 64.32 H new ATOM 0 HA2 GLY A 2 1.215 8.953 -15.519 1.00 72.13 H new ATOM 0 HA3 GLY A 2 2.044 9.777 -14.213 1.00 72.13 H new ATOM 27 N GLN A 3 0.357 7.394 -13.728 1.00 35.31 N ATOM 28 CA GLN A 3 -0.222 6.435 -12.765 1.00 74.02 C ATOM 29 C GLN A 3 0.562 6.486 -11.439 1.00 41.11 C ATOM 30 O GLN A 3 1.782 6.636 -11.443 1.00 24.52 O ATOM 31 CB GLN A 3 -0.190 4.994 -13.359 1.00 24.41 C ATOM 32 CG GLN A 3 -0.712 3.894 -12.398 1.00 10.40 C ATOM 33 CD GLN A 3 -0.673 2.481 -12.991 1.00 65.02 C ATOM 34 OE1 GLN A 3 -0.807 2.285 -14.198 1.00 42.30 O ATOM 35 NE2 GLN A 3 -0.477 1.484 -12.149 1.00 65.01 N ATOM 0 H GLN A 3 0.838 6.944 -14.507 1.00 35.31 H new ATOM 0 HA GLN A 3 -1.259 6.708 -12.571 1.00 74.02 H new ATOM 0 HB2 GLN A 3 -0.787 4.976 -14.271 1.00 24.41 H new ATOM 0 HB3 GLN A 3 0.834 4.754 -13.644 1.00 24.41 H new ATOM 0 HG2 GLN A 3 -0.117 3.911 -11.485 1.00 10.40 H new ATOM 0 HG3 GLN A 3 -1.738 4.130 -12.114 1.00 10.40 H new ATOM 0 HE21 GLN A 3 -0.369 1.672 -11.152 1.00 65.01 H new ATOM 0 HE22 GLN A 3 -0.434 0.525 -12.495 1.00 65.01 H new ATOM 44 N TRP A 4 -0.149 6.358 -10.310 1.00 41.43 N ATOM 45 CA TRP A 4 0.454 6.413 -8.968 1.00 4.50 C ATOM 46 C TRP A 4 0.658 4.988 -8.425 1.00 62.30 C ATOM 47 O TRP A 4 -0.285 4.188 -8.395 1.00 52.54 O ATOM 48 CB TRP A 4 -0.446 7.233 -8.023 1.00 45.25 C ATOM 49 CG TRP A 4 -0.733 8.628 -8.522 1.00 21.32 C ATOM 50 CD1 TRP A 4 0.064 9.729 -8.383 1.00 20.25 C ATOM 51 CD2 TRP A 4 -1.900 9.067 -9.237 1.00 55.20 C ATOM 52 NE1 TRP A 4 -0.523 10.810 -8.988 1.00 51.31 N ATOM 53 CE2 TRP A 4 -1.727 10.433 -9.511 1.00 32.15 C ATOM 54 CE3 TRP A 4 -3.069 8.436 -9.676 1.00 25.00 C ATOM 55 CZ2 TRP A 4 -2.669 11.179 -10.202 1.00 51.51 C ATOM 56 CZ3 TRP A 4 -4.007 9.183 -10.361 1.00 11.32 C ATOM 57 CH2 TRP A 4 -3.804 10.543 -10.617 1.00 4.45 C ATOM 0 H TRP A 4 -1.159 6.213 -10.300 1.00 41.43 H new ATOM 0 HA TRP A 4 1.427 6.901 -9.030 1.00 4.50 H new ATOM 0 HB2 TRP A 4 -1.389 6.705 -7.884 1.00 45.25 H new ATOM 0 HB3 TRP A 4 0.031 7.297 -7.045 1.00 45.25 H new ATOM 0 HD1 TRP A 4 1.015 9.745 -7.872 1.00 20.25 H new ATOM 0 HE1 TRP A 4 -0.124 11.747 -9.039 1.00 51.31 H new ATOM 0 HE3 TRP A 4 -3.234 7.386 -9.483 1.00 25.00 H new ATOM 0 HZ2 TRP A 4 -2.511 12.228 -10.405 1.00 51.51 H new ATOM 0 HZ3 TRP A 4 -4.914 8.708 -10.705 1.00 11.32 H new ATOM 0 HH2 TRP A 4 -4.558 11.100 -11.153 1.00 4.45 H new ATOM 68 N GLN A 5 1.896 4.683 -8.017 1.00 54.03 N ATOM 69 CA GLN A 5 2.282 3.373 -7.469 1.00 0.40 C ATOM 70 C GLN A 5 2.908 3.557 -6.073 1.00 35.21 C ATOM 71 O GLN A 5 3.993 4.121 -5.953 1.00 41.52 O ATOM 72 CB GLN A 5 3.273 2.676 -8.445 1.00 24.42 C ATOM 73 CG GLN A 5 3.900 1.366 -7.919 1.00 1.24 C ATOM 74 CD GLN A 5 4.877 0.749 -8.924 1.00 74.21 C ATOM 75 OE1 GLN A 5 4.507 -0.096 -9.743 1.00 5.10 O ATOM 76 NE2 GLN A 5 6.128 1.179 -8.881 1.00 62.51 N ATOM 0 H GLN A 5 2.669 5.347 -8.058 1.00 54.03 H new ATOM 0 HA GLN A 5 1.401 2.740 -7.363 1.00 0.40 H new ATOM 0 HB2 GLN A 5 2.750 2.461 -9.377 1.00 24.42 H new ATOM 0 HB3 GLN A 5 4.075 3.374 -8.683 1.00 24.42 H new ATOM 0 HG2 GLN A 5 4.422 1.565 -6.983 1.00 1.24 H new ATOM 0 HG3 GLN A 5 3.109 0.650 -7.697 1.00 1.24 H new ATOM 0 HE21 GLN A 5 6.403 1.879 -8.192 1.00 62.51 H new ATOM 0 HE22 GLN A 5 6.817 0.811 -9.537 1.00 62.51 H new ATOM 85 N ILE A 6 2.215 3.080 -5.025 1.00 32.01 N ATOM 86 CA ILE A 6 2.684 3.167 -3.626 1.00 23.13 C ATOM 87 C ILE A 6 3.388 1.852 -3.237 1.00 1.21 C ATOM 88 O ILE A 6 2.739 0.807 -3.138 1.00 64.13 O ATOM 89 CB ILE A 6 1.487 3.455 -2.636 1.00 3.41 C ATOM 90 CG1 ILE A 6 0.835 4.833 -2.952 1.00 71.33 C ATOM 91 CG2 ILE A 6 1.926 3.381 -1.150 1.00 73.52 C ATOM 92 CD1 ILE A 6 -0.261 5.246 -1.988 1.00 35.34 C ATOM 0 H ILE A 6 1.309 2.621 -5.122 1.00 32.01 H new ATOM 0 HA ILE A 6 3.387 3.997 -3.549 1.00 23.13 H new ATOM 0 HB ILE A 6 0.744 2.672 -2.789 1.00 3.41 H new ATOM 0 HG12 ILE A 6 1.612 5.598 -2.948 1.00 71.33 H new ATOM 0 HG13 ILE A 6 0.422 4.803 -3.960 1.00 71.33 H new ATOM 0 HG21 ILE A 6 1.070 3.586 -0.507 1.00 73.52 H new ATOM 0 HG22 ILE A 6 2.312 2.385 -0.934 1.00 73.52 H new ATOM 0 HG23 ILE A 6 2.705 4.120 -0.963 1.00 73.52 H new ATOM 0 HD11 ILE A 6 -0.659 6.217 -2.283 1.00 35.34 H new ATOM 0 HD12 ILE A 6 -1.061 4.505 -2.007 1.00 35.34 H new ATOM 0 HD13 ILE A 6 0.147 5.313 -0.980 1.00 35.34 H new ATOM 104 N LYS A 7 4.718 1.904 -3.051 1.00 24.14 N ATOM 105 CA LYS A 7 5.510 0.746 -2.602 1.00 65.13 C ATOM 106 C LYS A 7 5.726 0.821 -1.086 1.00 13.02 C ATOM 107 O LYS A 7 6.457 1.684 -0.597 1.00 21.11 O ATOM 108 CB LYS A 7 6.864 0.672 -3.349 1.00 2.00 C ATOM 109 CG LYS A 7 6.735 0.242 -4.824 1.00 34.35 C ATOM 110 CD LYS A 7 8.103 -0.067 -5.465 1.00 14.21 C ATOM 111 CE LYS A 7 7.969 -0.657 -6.869 1.00 73.10 C ATOM 112 NZ LYS A 7 9.289 -0.950 -7.472 1.00 44.55 N ATOM 0 H LYS A 7 5.272 2.746 -3.207 1.00 24.14 H new ATOM 0 HA LYS A 7 4.958 -0.164 -2.835 1.00 65.13 H new ATOM 0 HB2 LYS A 7 7.347 1.648 -3.305 1.00 2.00 H new ATOM 0 HB3 LYS A 7 7.517 -0.030 -2.831 1.00 2.00 H new ATOM 0 HG2 LYS A 7 6.098 -0.640 -4.889 1.00 34.35 H new ATOM 0 HG3 LYS A 7 6.242 1.033 -5.389 1.00 34.35 H new ATOM 0 HD2 LYS A 7 8.694 0.848 -5.513 1.00 14.21 H new ATOM 0 HD3 LYS A 7 8.649 -0.766 -4.831 1.00 14.21 H new ATOM 0 HE2 LYS A 7 7.379 -1.573 -6.823 1.00 73.10 H new ATOM 0 HE3 LYS A 7 7.426 0.041 -7.506 1.00 73.10 H new ATOM 0 HZ1 LYS A 7 9.155 -1.349 -8.423 1.00 44.55 H new ATOM 0 HZ2 LYS A 7 9.843 -0.072 -7.539 1.00 44.55 H new ATOM 0 HZ3 LYS A 7 9.798 -1.635 -6.878 1.00 44.55 H new ATOM 126 N ILE A 8 5.052 -0.081 -0.369 1.00 21.24 N ATOM 127 CA ILE A 8 5.130 -0.214 1.088 1.00 2.02 C ATOM 128 C ILE A 8 6.096 -1.354 1.434 1.00 53.25 C ATOM 129 O ILE A 8 5.973 -2.457 0.903 1.00 2.15 O ATOM 130 CB ILE A 8 3.716 -0.546 1.685 1.00 32.44 C ATOM 131 CG1 ILE A 8 2.679 0.531 1.255 1.00 11.42 C ATOM 132 CG2 ILE A 8 3.769 -0.704 3.230 1.00 34.53 C ATOM 133 CD1 ILE A 8 1.245 0.209 1.627 1.00 41.10 C ATOM 0 H ILE A 8 4.420 -0.757 -0.797 1.00 21.24 H new ATOM 0 HA ILE A 8 5.483 0.727 1.511 1.00 2.02 H new ATOM 0 HB ILE A 8 3.395 -1.506 1.281 1.00 32.44 H new ATOM 0 HG12 ILE A 8 2.954 1.483 1.709 1.00 11.42 H new ATOM 0 HG13 ILE A 8 2.739 0.664 0.175 1.00 11.42 H new ATOM 0 HG21 ILE A 8 2.772 -0.933 3.607 1.00 34.53 H new ATOM 0 HG22 ILE A 8 4.450 -1.514 3.490 1.00 34.53 H new ATOM 0 HG23 ILE A 8 4.122 0.225 3.679 1.00 34.53 H new ATOM 0 HD11 ILE A 8 0.592 1.014 1.289 1.00 41.10 H new ATOM 0 HD12 ILE A 8 0.947 -0.725 1.151 1.00 41.10 H new ATOM 0 HD13 ILE A 8 1.164 0.107 2.709 1.00 41.10 H new ATOM 145 N TYR A 9 7.059 -1.070 2.305 1.00 20.35 N ATOM 146 CA TYR A 9 7.978 -2.066 2.857 1.00 44.41 C ATOM 147 C TYR A 9 7.744 -2.088 4.365 1.00 53.13 C ATOM 148 O TYR A 9 8.093 -1.131 5.063 1.00 34.42 O ATOM 149 CB TYR A 9 9.452 -1.698 2.523 1.00 72.05 C ATOM 150 CG TYR A 9 9.720 -1.504 1.021 1.00 25.43 C ATOM 151 CD1 TYR A 9 10.067 -2.583 0.204 1.00 31.04 C ATOM 152 CD2 TYR A 9 9.624 -0.237 0.418 1.00 10.12 C ATOM 153 CE1 TYR A 9 10.290 -2.411 -1.151 1.00 22.14 C ATOM 154 CE2 TYR A 9 9.841 -0.069 -0.934 1.00 52.44 C ATOM 155 CZ TYR A 9 10.181 -1.154 -1.711 1.00 43.41 C ATOM 156 OH TYR A 9 10.394 -0.985 -3.060 1.00 23.20 O ATOM 0 H TYR A 9 7.228 -0.127 2.654 1.00 20.35 H new ATOM 0 HA TYR A 9 7.797 -3.050 2.425 1.00 44.41 H new ATOM 0 HB2 TYR A 9 9.716 -0.782 3.051 1.00 72.05 H new ATOM 0 HB3 TYR A 9 10.107 -2.483 2.901 1.00 72.05 H new ATOM 0 HD1 TYR A 9 10.163 -3.568 0.637 1.00 31.04 H new ATOM 0 HD2 TYR A 9 9.376 0.621 1.025 1.00 10.12 H new ATOM 0 HE1 TYR A 9 10.549 -3.258 -1.769 1.00 22.14 H new ATOM 0 HE2 TYR A 9 9.745 0.909 -1.381 1.00 52.44 H new ATOM 0 HH TYR A 9 10.277 -0.040 -3.294 1.00 23.20 H new ATOM 166 N SER A 10 7.077 -3.140 4.847 1.00 72.32 N ATOM 167 CA SER A 10 6.804 -3.344 6.275 1.00 41.41 C ATOM 168 C SER A 10 6.934 -4.843 6.600 1.00 73.13 C ATOM 169 O SER A 10 6.290 -5.691 5.967 1.00 73.41 O ATOM 170 CB SER A 10 5.410 -2.802 6.649 1.00 43.35 C ATOM 171 OG SER A 10 5.290 -1.417 6.361 1.00 43.35 O ATOM 0 H SER A 10 6.707 -3.882 4.253 1.00 72.32 H new ATOM 0 HA SER A 10 7.530 -2.790 6.870 1.00 41.41 H new ATOM 0 HB2 SER A 10 4.646 -3.355 6.102 1.00 43.35 H new ATOM 0 HB3 SER A 10 5.227 -2.970 7.710 1.00 43.35 H new ATOM 0 HG SER A 10 4.401 -1.236 5.990 1.00 43.35 H new ATOM 177 N GLU A 11 7.783 -5.135 7.583 1.00 63.31 N ATOM 178 CA GLU A 11 8.221 -6.496 7.925 1.00 71.40 C ATOM 179 C GLU A 11 7.185 -7.220 8.805 1.00 13.13 C ATOM 180 O GLU A 11 6.962 -8.421 8.638 1.00 22.10 O ATOM 181 CB GLU A 11 9.590 -6.397 8.642 1.00 33.32 C ATOM 182 CG GLU A 11 10.657 -5.611 7.841 1.00 31.02 C ATOM 183 CD GLU A 11 11.912 -5.304 8.667 1.00 74.31 C ATOM 184 OE1 GLU A 11 11.936 -4.263 9.354 1.00 20.15 O ATOM 185 OE2 GLU A 11 12.876 -6.103 8.642 1.00 25.31 O ATOM 0 H GLU A 11 8.198 -4.419 8.180 1.00 63.31 H new ATOM 0 HA GLU A 11 8.319 -7.086 7.014 1.00 71.40 H new ATOM 0 HB2 GLU A 11 9.449 -5.917 9.610 1.00 33.32 H new ATOM 0 HB3 GLU A 11 9.962 -7.403 8.836 1.00 33.32 H new ATOM 0 HG2 GLU A 11 10.939 -6.186 6.959 1.00 31.02 H new ATOM 0 HG3 GLU A 11 10.223 -4.676 7.486 1.00 31.02 H new ATOM 192 N ASN A 12 6.556 -6.467 9.729 1.00 43.34 N ATOM 193 CA ASN A 12 5.551 -7.013 10.675 1.00 11.42 C ATOM 194 C ASN A 12 4.237 -7.376 9.931 1.00 52.33 C ATOM 195 O ASN A 12 3.885 -6.751 8.924 1.00 71.44 O ATOM 196 CB ASN A 12 5.300 -5.993 11.833 1.00 11.32 C ATOM 197 CG ASN A 12 4.201 -6.410 12.839 1.00 11.42 C ATOM 198 OD1 ASN A 12 4.009 -7.592 13.133 1.00 71.13 O ATOM 199 ND2 ASN A 12 3.463 -5.437 13.366 1.00 25.52 N ATOM 0 H ASN A 12 6.726 -5.468 9.844 1.00 43.34 H new ATOM 0 HA ASN A 12 5.936 -7.933 11.114 1.00 11.42 H new ATOM 0 HB2 ASN A 12 6.233 -5.845 12.377 1.00 11.32 H new ATOM 0 HB3 ASN A 12 5.029 -5.031 11.398 1.00 11.32 H new ATOM 0 HD21 ASN A 12 2.720 -5.662 14.028 1.00 25.52 H new ATOM 0 HD22 ASN A 12 3.640 -4.466 13.108 1.00 25.52 H new ATOM 206 N GLU A 13 3.548 -8.401 10.466 1.00 41.44 N ATOM 207 CA GLU A 13 2.370 -9.044 9.858 1.00 0.52 C ATOM 208 C GLU A 13 1.149 -8.105 9.826 1.00 51.42 C ATOM 209 O GLU A 13 0.498 -7.963 8.784 1.00 23.05 O ATOM 210 CB GLU A 13 2.049 -10.343 10.648 1.00 71.12 C ATOM 211 CG GLU A 13 1.053 -11.292 9.960 1.00 14.22 C ATOM 212 CD GLU A 13 1.538 -11.787 8.583 1.00 34.42 C ATOM 213 OE1 GLU A 13 2.553 -12.523 8.532 1.00 74.31 O ATOM 214 OE2 GLU A 13 0.939 -11.429 7.543 1.00 23.31 O ATOM 0 H GLU A 13 3.804 -8.817 11.361 1.00 41.44 H new ATOM 0 HA GLU A 13 2.600 -9.286 8.820 1.00 0.52 H new ATOM 0 HB2 GLU A 13 2.980 -10.883 10.824 1.00 71.12 H new ATOM 0 HB3 GLU A 13 1.650 -10.068 11.624 1.00 71.12 H new ATOM 0 HG2 GLU A 13 0.875 -12.152 10.606 1.00 14.22 H new ATOM 0 HG3 GLU A 13 0.098 -10.781 9.839 1.00 14.22 H new ATOM 221 N ARG A 14 0.883 -7.453 10.980 1.00 44.30 N ATOM 222 CA ARG A 14 -0.248 -6.518 11.174 1.00 14.41 C ATOM 223 C ARG A 14 -0.251 -5.392 10.125 1.00 72.12 C ATOM 224 O ARG A 14 -1.316 -4.969 9.663 1.00 53.22 O ATOM 225 CB ARG A 14 -0.167 -5.923 12.615 1.00 3.14 C ATOM 226 CG ARG A 14 -1.153 -4.768 12.939 1.00 22.44 C ATOM 227 CD ARG A 14 -2.633 -5.156 12.782 1.00 51.20 C ATOM 228 NE ARG A 14 -3.004 -6.311 13.622 1.00 11.22 N ATOM 229 CZ ARG A 14 -4.101 -6.389 14.397 1.00 64.30 C ATOM 230 NH1 ARG A 14 -4.978 -5.382 14.465 1.00 72.53 N ATOM 231 NH2 ARG A 14 -4.319 -7.483 15.111 1.00 1.22 N ATOM 0 H ARG A 14 1.457 -7.563 11.816 1.00 44.30 H new ATOM 0 HA ARG A 14 -1.180 -7.069 11.048 1.00 14.41 H new ATOM 0 HB2 ARG A 14 -0.338 -6.729 13.328 1.00 3.14 H new ATOM 0 HB3 ARG A 14 0.848 -5.562 12.780 1.00 3.14 H new ATOM 0 HG2 ARG A 14 -0.981 -4.432 13.961 1.00 22.44 H new ATOM 0 HG3 ARG A 14 -0.937 -3.923 12.285 1.00 22.44 H new ATOM 0 HD2 ARG A 14 -3.259 -4.303 13.045 1.00 51.20 H new ATOM 0 HD3 ARG A 14 -2.835 -5.390 11.737 1.00 51.20 H new ATOM 0 HE ARG A 14 -2.378 -7.116 13.614 1.00 11.22 H new ATOM 0 HH11 ARG A 14 -4.822 -4.532 13.922 1.00 72.53 H new ATOM 0 HH12 ARG A 14 -5.803 -5.463 15.059 1.00 72.53 H new ATOM 0 HH21 ARG A 14 -3.658 -8.258 15.071 1.00 1.22 H new ATOM 0 HH22 ARG A 14 -5.148 -7.550 15.701 1.00 1.22 H new ATOM 245 N GLU A 15 0.955 -4.961 9.742 1.00 54.23 N ATOM 246 CA GLU A 15 1.161 -3.793 8.888 1.00 71.32 C ATOM 247 C GLU A 15 0.575 -4.030 7.479 1.00 45.52 C ATOM 248 O GLU A 15 -0.240 -3.240 6.987 1.00 72.32 O ATOM 249 CB GLU A 15 2.671 -3.476 8.792 1.00 73.31 C ATOM 250 CG GLU A 15 3.446 -3.478 10.129 1.00 62.10 C ATOM 251 CD GLU A 15 2.795 -2.666 11.267 1.00 61.02 C ATOM 252 OE1 GLU A 15 3.084 -1.464 11.407 1.00 63.31 O ATOM 253 OE2 GLU A 15 2.020 -3.246 12.053 1.00 43.21 O ATOM 0 H GLU A 15 1.823 -5.420 10.020 1.00 54.23 H new ATOM 0 HA GLU A 15 0.642 -2.943 9.332 1.00 71.32 H new ATOM 0 HB2 GLU A 15 3.134 -4.203 8.125 1.00 73.31 H new ATOM 0 HB3 GLU A 15 2.788 -2.497 8.327 1.00 73.31 H new ATOM 0 HG2 GLU A 15 3.563 -4.510 10.461 1.00 62.10 H new ATOM 0 HG3 GLU A 15 4.447 -3.085 9.951 1.00 62.10 H new ATOM 260 N PHE A 16 0.998 -5.147 6.862 1.00 32.23 N ATOM 261 CA PHE A 16 0.564 -5.533 5.515 1.00 1.32 C ATOM 262 C PHE A 16 -0.905 -5.947 5.513 1.00 11.34 C ATOM 263 O PHE A 16 -1.671 -5.431 4.702 1.00 32.23 O ATOM 264 CB PHE A 16 1.489 -6.645 4.929 1.00 20.22 C ATOM 265 CG PHE A 16 2.622 -6.095 4.066 1.00 24.51 C ATOM 266 CD1 PHE A 16 3.300 -4.928 4.430 1.00 14.42 C ATOM 267 CD2 PHE A 16 2.993 -6.722 2.889 1.00 52.12 C ATOM 268 CE1 PHE A 16 4.305 -4.422 3.640 1.00 32.31 C ATOM 269 CE2 PHE A 16 3.998 -6.211 2.106 1.00 3.15 C ATOM 270 CZ PHE A 16 4.657 -5.062 2.486 1.00 71.13 C ATOM 0 H PHE A 16 1.651 -5.806 7.287 1.00 32.23 H new ATOM 0 HA PHE A 16 0.653 -4.664 4.862 1.00 1.32 H new ATOM 0 HB2 PHE A 16 1.914 -7.224 5.749 1.00 20.22 H new ATOM 0 HB3 PHE A 16 0.888 -7.331 4.333 1.00 20.22 H new ATOM 0 HD1 PHE A 16 3.031 -4.418 5.343 1.00 14.42 H new ATOM 0 HD2 PHE A 16 2.485 -7.625 2.583 1.00 52.12 H new ATOM 0 HE1 PHE A 16 4.817 -3.517 3.932 1.00 32.31 H new ATOM 0 HE2 PHE A 16 4.273 -6.711 1.189 1.00 3.15 H new ATOM 0 HZ PHE A 16 5.452 -4.667 1.871 1.00 71.13 H new ATOM 280 N ARG A 17 -1.290 -6.829 6.462 1.00 51.42 N ATOM 281 CA ARG A 17 -2.672 -7.351 6.559 1.00 21.13 C ATOM 282 C ARG A 17 -3.709 -6.222 6.675 1.00 12.14 C ATOM 283 O ARG A 17 -4.801 -6.352 6.128 1.00 72.13 O ATOM 284 CB ARG A 17 -2.834 -8.340 7.742 1.00 43.33 C ATOM 285 CG ARG A 17 -2.164 -9.709 7.520 1.00 51.41 C ATOM 286 CD ARG A 17 -2.491 -10.714 8.641 1.00 65.21 C ATOM 287 NE ARG A 17 -1.908 -12.043 8.386 1.00 72.32 N ATOM 288 CZ ARG A 17 -2.015 -13.112 9.197 1.00 71.05 C ATOM 289 NH1 ARG A 17 -2.677 -13.042 10.349 1.00 33.34 N ATOM 290 NH2 ARG A 17 -1.467 -14.261 8.834 1.00 4.34 N ATOM 0 H ARG A 17 -0.660 -7.196 7.175 1.00 51.42 H new ATOM 0 HA ARG A 17 -2.858 -7.891 5.630 1.00 21.13 H new ATOM 0 HB2 ARG A 17 -2.416 -7.885 8.640 1.00 43.33 H new ATOM 0 HB3 ARG A 17 -3.897 -8.495 7.928 1.00 43.33 H new ATOM 0 HG2 ARG A 17 -2.489 -10.118 6.563 1.00 51.41 H new ATOM 0 HG3 ARG A 17 -1.084 -9.576 7.459 1.00 51.41 H new ATOM 0 HD2 ARG A 17 -2.116 -10.331 9.590 1.00 65.21 H new ATOM 0 HD3 ARG A 17 -3.573 -10.807 8.739 1.00 65.21 H new ATOM 0 HE ARG A 17 -1.379 -12.163 7.522 1.00 72.32 H new ATOM 0 HH11 ARG A 17 -3.116 -12.166 10.633 1.00 33.34 H new ATOM 0 HH12 ARG A 17 -2.746 -13.864 10.948 1.00 33.34 H new ATOM 0 HH21 ARG A 17 -0.969 -14.331 7.947 1.00 4.34 H new ATOM 0 HH22 ARG A 17 -1.543 -15.077 9.442 1.00 4.34 H new ATOM 304 N GLU A 18 -3.341 -5.115 7.373 1.00 3.21 N ATOM 305 CA GLU A 18 -4.186 -3.909 7.453 1.00 44.24 C ATOM 306 C GLU A 18 -4.528 -3.414 6.039 1.00 10.04 C ATOM 307 O GLU A 18 -5.689 -3.474 5.634 1.00 54.51 O ATOM 308 CB GLU A 18 -3.504 -2.770 8.305 1.00 31.03 C ATOM 309 CG GLU A 18 -4.113 -2.568 9.712 1.00 74.32 C ATOM 310 CD GLU A 18 -5.617 -2.215 9.663 1.00 64.45 C ATOM 311 OE1 GLU A 18 -5.961 -1.092 9.243 1.00 33.14 O ATOM 312 OE2 GLU A 18 -6.467 -3.053 10.033 1.00 2.23 O ATOM 0 H GLU A 18 -2.463 -5.040 7.886 1.00 3.21 H new ATOM 0 HA GLU A 18 -5.110 -4.176 7.966 1.00 44.24 H new ATOM 0 HB2 GLU A 18 -2.444 -2.999 8.412 1.00 31.03 H new ATOM 0 HB3 GLU A 18 -3.573 -1.832 7.755 1.00 31.03 H new ATOM 0 HG2 GLU A 18 -3.976 -3.477 10.297 1.00 74.32 H new ATOM 0 HG3 GLU A 18 -3.573 -1.773 10.227 1.00 74.32 H new ATOM 319 N LEU A 19 -3.482 -3.043 5.271 1.00 3.25 N ATOM 320 CA LEU A 19 -3.637 -2.452 3.928 1.00 32.24 C ATOM 321 C LEU A 19 -4.333 -3.422 2.956 1.00 72.51 C ATOM 322 O LEU A 19 -5.272 -3.016 2.294 1.00 13.13 O ATOM 323 CB LEU A 19 -2.271 -1.967 3.353 1.00 11.04 C ATOM 324 CG LEU A 19 -1.798 -0.539 3.799 1.00 71.31 C ATOM 325 CD1 LEU A 19 -2.753 0.568 3.272 1.00 65.04 C ATOM 326 CD2 LEU A 19 -1.621 -0.446 5.331 1.00 2.04 C ATOM 0 H LEU A 19 -2.510 -3.145 5.564 1.00 3.25 H new ATOM 0 HA LEU A 19 -4.279 -1.578 4.037 1.00 32.24 H new ATOM 0 HB2 LEU A 19 -1.504 -2.687 3.639 1.00 11.04 H new ATOM 0 HB3 LEU A 19 -2.333 -1.983 2.265 1.00 11.04 H new ATOM 0 HG LEU A 19 -0.819 -0.371 3.349 1.00 71.31 H new ATOM 0 HD11 LEU A 19 -2.395 1.544 3.600 1.00 65.04 H new ATOM 0 HD12 LEU A 19 -2.779 0.538 2.183 1.00 65.04 H new ATOM 0 HD13 LEU A 19 -3.756 0.400 3.663 1.00 65.04 H new ATOM 0 HD21 LEU A 19 -1.293 0.558 5.599 1.00 2.04 H new ATOM 0 HD22 LEU A 19 -2.571 -0.660 5.821 1.00 2.04 H new ATOM 0 HD23 LEU A 19 -0.874 -1.171 5.656 1.00 2.04 H new ATOM 338 N ILE A 20 -3.882 -4.699 2.926 1.00 10.52 N ATOM 339 CA ILE A 20 -4.428 -5.769 2.044 1.00 42.21 C ATOM 340 C ILE A 20 -5.974 -5.798 2.091 1.00 75.31 C ATOM 341 O ILE A 20 -6.641 -5.724 1.048 1.00 33.32 O ATOM 342 CB ILE A 20 -3.875 -7.193 2.460 1.00 41.51 C ATOM 343 CG1 ILE A 20 -2.323 -7.290 2.282 1.00 32.41 C ATOM 344 CG2 ILE A 20 -4.591 -8.339 1.694 1.00 31.51 C ATOM 345 CD1 ILE A 20 -1.820 -7.220 0.855 1.00 14.02 C ATOM 0 H ILE A 20 -3.119 -5.023 3.520 1.00 10.52 H new ATOM 0 HA ILE A 20 -4.103 -5.539 1.029 1.00 42.21 H new ATOM 0 HB ILE A 20 -4.096 -7.315 3.520 1.00 41.51 H new ATOM 0 HG12 ILE A 20 -1.859 -6.484 2.851 1.00 32.41 H new ATOM 0 HG13 ILE A 20 -1.983 -8.228 2.722 1.00 32.41 H new ATOM 0 HG21 ILE A 20 -4.181 -9.299 2.009 1.00 31.51 H new ATOM 0 HG22 ILE A 20 -5.659 -8.311 1.912 1.00 31.51 H new ATOM 0 HG23 ILE A 20 -4.436 -8.213 0.622 1.00 31.51 H new ATOM 0 HD11 ILE A 20 -0.733 -7.297 0.848 1.00 14.02 H new ATOM 0 HD12 ILE A 20 -2.245 -8.042 0.279 1.00 14.02 H new ATOM 0 HD13 ILE A 20 -2.120 -6.271 0.410 1.00 14.02 H new ATOM 357 N GLU A 21 -6.505 -5.853 3.332 1.00 43.42 N ATOM 358 CA GLU A 21 -7.948 -5.892 3.595 1.00 43.04 C ATOM 359 C GLU A 21 -8.604 -4.567 3.170 1.00 40.14 C ATOM 360 O GLU A 21 -9.589 -4.590 2.434 1.00 33.35 O ATOM 361 CB GLU A 21 -8.212 -6.201 5.090 1.00 11.21 C ATOM 362 CG GLU A 21 -7.630 -7.556 5.552 1.00 33.34 C ATOM 363 CD GLU A 21 -7.850 -7.831 7.044 1.00 41.51 C ATOM 364 OE1 GLU A 21 -7.179 -7.183 7.877 1.00 15.40 O ATOM 365 OE2 GLU A 21 -8.691 -8.694 7.396 1.00 24.20 O ATOM 0 H GLU A 21 -5.937 -5.871 4.179 1.00 43.42 H new ATOM 0 HA GLU A 21 -8.396 -6.691 3.004 1.00 43.04 H new ATOM 0 HB2 GLU A 21 -7.784 -5.404 5.698 1.00 11.21 H new ATOM 0 HB3 GLU A 21 -9.287 -6.196 5.269 1.00 11.21 H new ATOM 0 HG2 GLU A 21 -8.086 -8.357 4.970 1.00 33.34 H new ATOM 0 HG3 GLU A 21 -6.561 -7.576 5.339 1.00 33.34 H new ATOM 372 N ARG A 22 -7.983 -3.419 3.574 1.00 42.20 N ATOM 373 CA ARG A 22 -8.537 -2.061 3.307 1.00 63.23 C ATOM 374 C ARG A 22 -8.744 -1.832 1.807 1.00 31.31 C ATOM 375 O ARG A 22 -9.814 -1.416 1.403 1.00 61.32 O ATOM 376 CB ARG A 22 -7.638 -0.916 3.883 1.00 53.24 C ATOM 377 CG ARG A 22 -7.432 -0.950 5.412 1.00 51.13 C ATOM 378 CD ARG A 22 -8.744 -0.966 6.210 1.00 33.25 C ATOM 379 NE ARG A 22 -8.498 -1.208 7.639 1.00 2.04 N ATOM 380 CZ ARG A 22 -9.437 -1.258 8.594 1.00 74.04 C ATOM 381 NH1 ARG A 22 -10.730 -1.082 8.307 1.00 30.24 N ATOM 382 NH2 ARG A 22 -9.069 -1.499 9.841 1.00 15.21 N ATOM 0 H ARG A 22 -7.100 -3.410 4.085 1.00 42.20 H new ATOM 0 HA ARG A 22 -9.498 -2.025 3.820 1.00 63.23 H new ATOM 0 HB2 ARG A 22 -6.662 -0.964 3.400 1.00 53.24 H new ATOM 0 HB3 ARG A 22 -8.081 0.043 3.613 1.00 53.24 H new ATOM 0 HG2 ARG A 22 -6.848 -1.833 5.672 1.00 51.13 H new ATOM 0 HG3 ARG A 22 -6.846 -0.081 5.710 1.00 51.13 H new ATOM 0 HD2 ARG A 22 -9.260 -0.014 6.084 1.00 33.25 H new ATOM 0 HD3 ARG A 22 -9.402 -1.740 5.816 1.00 33.25 H new ATOM 0 HE ARG A 22 -7.530 -1.350 7.928 1.00 2.04 H new ATOM 0 HH11 ARG A 22 -11.019 -0.905 7.345 1.00 30.24 H new ATOM 0 HH12 ARG A 22 -11.428 -1.124 9.050 1.00 30.24 H new ATOM 0 HH21 ARG A 22 -8.084 -1.643 10.063 1.00 15.21 H new ATOM 0 HH22 ARG A 22 -9.770 -1.541 10.581 1.00 15.21 H new ATOM 396 N LEU A 23 -7.724 -2.182 1.000 1.00 50.14 N ATOM 397 CA LEU A 23 -7.695 -1.930 -0.461 1.00 44.43 C ATOM 398 C LEU A 23 -8.869 -2.628 -1.175 1.00 53.11 C ATOM 399 O LEU A 23 -9.427 -2.096 -2.140 1.00 64.14 O ATOM 400 CB LEU A 23 -6.336 -2.401 -1.051 1.00 4.24 C ATOM 401 CG LEU A 23 -5.074 -1.702 -0.457 1.00 21.50 C ATOM 402 CD1 LEU A 23 -3.776 -2.381 -0.918 1.00 25.33 C ATOM 403 CD2 LEU A 23 -5.065 -0.191 -0.756 1.00 75.44 C ATOM 0 H LEU A 23 -6.887 -2.653 1.344 1.00 50.14 H new ATOM 0 HA LEU A 23 -7.803 -0.858 -0.626 1.00 44.43 H new ATOM 0 HB2 LEU A 23 -6.243 -3.476 -0.894 1.00 4.24 H new ATOM 0 HB3 LEU A 23 -6.349 -2.236 -2.128 1.00 4.24 H new ATOM 0 HG LEU A 23 -5.126 -1.814 0.626 1.00 21.50 H new ATOM 0 HD11 LEU A 23 -2.921 -1.864 -0.483 1.00 25.33 H new ATOM 0 HD12 LEU A 23 -3.775 -3.422 -0.594 1.00 25.33 H new ATOM 0 HD13 LEU A 23 -3.710 -2.339 -2.005 1.00 25.33 H new ATOM 0 HD21 LEU A 23 -4.171 0.260 -0.326 1.00 75.44 H new ATOM 0 HD22 LEU A 23 -5.068 -0.034 -1.835 1.00 75.44 H new ATOM 0 HD23 LEU A 23 -5.950 0.272 -0.319 1.00 75.44 H new ATOM 415 N GLU A 24 -9.238 -3.819 -0.669 1.00 42.13 N ATOM 416 CA GLU A 24 -10.388 -4.592 -1.163 1.00 52.51 C ATOM 417 C GLU A 24 -11.720 -3.972 -0.684 1.00 50.35 C ATOM 418 O GLU A 24 -12.719 -3.988 -1.416 1.00 63.34 O ATOM 419 CB GLU A 24 -10.281 -6.070 -0.711 1.00 21.40 C ATOM 420 CG GLU A 24 -9.021 -6.795 -1.214 1.00 12.33 C ATOM 421 CD GLU A 24 -9.058 -8.305 -0.936 1.00 23.02 C ATOM 422 OE1 GLU A 24 -8.632 -8.734 0.157 1.00 64.10 O ATOM 423 OE2 GLU A 24 -9.532 -9.071 -1.820 1.00 20.04 O ATOM 0 H GLU A 24 -8.743 -4.273 0.098 1.00 42.13 H new ATOM 0 HA GLU A 24 -10.375 -4.560 -2.252 1.00 52.51 H new ATOM 0 HB2 GLU A 24 -10.297 -6.107 0.378 1.00 21.40 H new ATOM 0 HB3 GLU A 24 -11.161 -6.610 -1.061 1.00 21.40 H new ATOM 0 HG2 GLU A 24 -8.914 -6.629 -2.286 1.00 12.33 H new ATOM 0 HG3 GLU A 24 -8.142 -6.363 -0.736 1.00 12.33 H new ATOM 430 N GLU A 25 -11.714 -3.418 0.545 1.00 2.11 N ATOM 431 CA GLU A 25 -12.927 -2.862 1.186 1.00 5.15 C ATOM 432 C GLU A 25 -13.192 -1.398 0.775 1.00 14.33 C ATOM 433 O GLU A 25 -14.319 -0.907 0.953 1.00 5.32 O ATOM 434 CB GLU A 25 -12.828 -2.983 2.738 1.00 51.33 C ATOM 435 CG GLU A 25 -12.586 -4.418 3.274 1.00 24.32 C ATOM 436 CD GLU A 25 -13.585 -5.468 2.752 1.00 1.12 C ATOM 437 OE1 GLU A 25 -14.646 -5.671 3.386 1.00 51.13 O ATOM 438 OE2 GLU A 25 -13.320 -6.106 1.709 1.00 2.23 O ATOM 0 H GLU A 25 -10.875 -3.343 1.120 1.00 2.11 H new ATOM 0 HA GLU A 25 -13.774 -3.452 0.834 1.00 5.15 H new ATOM 0 HB2 GLU A 25 -12.018 -2.341 3.086 1.00 51.33 H new ATOM 0 HB3 GLU A 25 -13.749 -2.599 3.176 1.00 51.33 H new ATOM 0 HG2 GLU A 25 -11.577 -4.728 3.004 1.00 24.32 H new ATOM 0 HG3 GLU A 25 -12.633 -4.399 4.363 1.00 24.32 H new ATOM 445 N GLU A 26 -12.167 -0.704 0.224 1.00 34.35 N ATOM 446 CA GLU A 26 -12.318 0.692 -0.236 1.00 2.45 C ATOM 447 C GLU A 26 -13.045 0.681 -1.578 1.00 62.43 C ATOM 448 O GLU A 26 -12.517 0.153 -2.557 1.00 43.24 O ATOM 449 CB GLU A 26 -10.955 1.443 -0.389 1.00 10.34 C ATOM 450 CG GLU A 26 -10.104 1.579 0.900 1.00 5.43 C ATOM 451 CD GLU A 26 -10.927 1.847 2.175 1.00 14.31 C ATOM 452 OE1 GLU A 26 -11.578 2.916 2.271 1.00 43.44 O ATOM 453 OE2 GLU A 26 -10.928 0.996 3.094 1.00 62.21 O ATOM 0 H GLU A 26 -11.232 -1.089 0.089 1.00 34.35 H new ATOM 0 HA GLU A 26 -12.885 1.230 0.523 1.00 2.45 H new ATOM 0 HB2 GLU A 26 -10.360 0.924 -1.140 1.00 10.34 H new ATOM 0 HB3 GLU A 26 -11.155 2.442 -0.775 1.00 10.34 H new ATOM 0 HG2 GLU A 26 -9.527 0.665 1.039 1.00 5.43 H new ATOM 0 HG3 GLU A 26 -9.389 2.390 0.766 1.00 5.43 H new ATOM 460 N ARG A 27 -14.266 1.238 -1.583 1.00 61.24 N ATOM 461 CA ARG A 27 -15.111 1.333 -2.791 1.00 30.22 C ATOM 462 C ARG A 27 -14.460 2.262 -3.836 1.00 53.23 C ATOM 463 O ARG A 27 -14.077 3.379 -3.480 1.00 23.24 O ATOM 464 CB ARG A 27 -16.565 1.811 -2.428 1.00 4.23 C ATOM 465 CG ARG A 27 -17.560 0.673 -2.096 1.00 1.52 C ATOM 466 CD ARG A 27 -17.115 -0.217 -0.922 1.00 65.34 C ATOM 467 NE ARG A 27 -18.013 -1.365 -0.751 1.00 44.41 N ATOM 468 CZ ARG A 27 -17.788 -2.413 0.052 1.00 10.31 C ATOM 469 NH1 ARG A 27 -16.684 -2.492 0.792 1.00 13.03 N ATOM 470 NH2 ARG A 27 -18.673 -3.395 0.095 1.00 12.22 N ATOM 0 H ARG A 27 -14.699 1.637 -0.750 1.00 61.24 H new ATOM 0 HA ARG A 27 -15.193 0.338 -3.229 1.00 30.22 H new ATOM 0 HB2 ARG A 27 -16.508 2.485 -1.573 1.00 4.23 H new ATOM 0 HB3 ARG A 27 -16.961 2.389 -3.263 1.00 4.23 H new ATOM 0 HG2 ARG A 27 -18.531 1.109 -1.862 1.00 1.52 H new ATOM 0 HG3 ARG A 27 -17.695 0.051 -2.981 1.00 1.52 H new ATOM 0 HD2 ARG A 27 -16.099 -0.571 -1.096 1.00 65.34 H new ATOM 0 HD3 ARG A 27 -17.095 0.371 -0.005 1.00 65.34 H new ATOM 0 HE ARG A 27 -18.880 -1.365 -1.288 1.00 44.41 H new ATOM 0 HH11 ARG A 27 -15.990 -1.745 0.754 1.00 13.03 H new ATOM 0 HH12 ARG A 27 -16.532 -3.299 1.397 1.00 13.03 H new ATOM 0 HH21 ARG A 27 -19.515 -3.348 -0.479 1.00 12.22 H new ATOM 0 HH22 ARG A 27 -18.514 -4.199 0.702 1.00 12.22 H new ATOM 484 N PRO A 28 -14.320 1.841 -5.149 1.00 35.40 N ATOM 485 CA PRO A 28 -14.775 0.521 -5.694 1.00 63.33 C ATOM 486 C PRO A 28 -13.880 -0.647 -5.227 1.00 50.34 C ATOM 487 O PRO A 28 -14.326 -1.512 -4.459 1.00 22.40 O ATOM 488 CB PRO A 28 -14.718 0.727 -7.253 1.00 13.44 C ATOM 489 CG PRO A 28 -14.463 2.201 -7.447 1.00 61.25 C ATOM 490 CD PRO A 28 -13.699 2.647 -6.219 1.00 74.30 C ATOM 0 HA PRO A 28 -15.769 0.245 -5.343 1.00 63.33 H new ATOM 0 HB2 PRO A 28 -13.925 0.128 -7.701 1.00 13.44 H new ATOM 0 HB3 PRO A 28 -15.652 0.423 -7.725 1.00 13.44 H new ATOM 0 HG2 PRO A 28 -13.887 2.383 -8.354 1.00 61.25 H new ATOM 0 HG3 PRO A 28 -15.399 2.751 -7.548 1.00 61.25 H new ATOM 0 HD2 PRO A 28 -12.631 2.447 -6.310 1.00 74.30 H new ATOM 0 HD3 PRO A 28 -13.809 3.716 -6.038 1.00 74.30 H new ATOM 498 N SER A 29 -12.606 -0.616 -5.649 1.00 63.21 N ATOM 499 CA SER A 29 -11.574 -1.576 -5.239 1.00 0.03 C ATOM 500 C SER A 29 -10.225 -1.100 -5.788 1.00 11.31 C ATOM 501 O SER A 29 -10.146 -0.600 -6.916 1.00 43.11 O ATOM 502 CB SER A 29 -11.878 -3.017 -5.728 1.00 11.33 C ATOM 503 OG SER A 29 -10.983 -3.951 -5.146 1.00 70.11 O ATOM 0 H SER A 29 -12.260 0.091 -6.297 1.00 63.21 H new ATOM 0 HA SER A 29 -11.553 -1.617 -4.150 1.00 0.03 H new ATOM 0 HB2 SER A 29 -12.904 -3.283 -5.472 1.00 11.33 H new ATOM 0 HB3 SER A 29 -11.799 -3.060 -6.814 1.00 11.33 H new ATOM 0 HG SER A 29 -11.195 -4.852 -5.468 1.00 70.11 H new ATOM 509 N VAL A 30 -9.170 -1.258 -4.984 1.00 11.13 N ATOM 510 CA VAL A 30 -7.816 -0.803 -5.325 1.00 23.34 C ATOM 511 C VAL A 30 -6.966 -1.993 -5.790 1.00 73.31 C ATOM 512 O VAL A 30 -6.988 -3.052 -5.151 1.00 41.35 O ATOM 513 CB VAL A 30 -7.124 -0.110 -4.100 1.00 32.30 C ATOM 514 CG1 VAL A 30 -5.725 0.416 -4.487 1.00 62.25 C ATOM 515 CG2 VAL A 30 -8.017 1.014 -3.515 1.00 42.42 C ATOM 0 H VAL A 30 -9.230 -1.708 -4.071 1.00 11.13 H new ATOM 0 HA VAL A 30 -7.899 -0.073 -6.130 1.00 23.34 H new ATOM 0 HB VAL A 30 -6.991 -0.857 -3.317 1.00 32.30 H new ATOM 0 HG11 VAL A 30 -5.264 0.893 -3.622 1.00 62.25 H new ATOM 0 HG12 VAL A 30 -5.103 -0.415 -4.818 1.00 62.25 H new ATOM 0 HG13 VAL A 30 -5.820 1.142 -5.294 1.00 62.25 H new ATOM 0 HG21 VAL A 30 -7.511 1.476 -2.667 1.00 42.42 H new ATOM 0 HG22 VAL A 30 -8.203 1.767 -4.281 1.00 42.42 H new ATOM 0 HG23 VAL A 30 -8.965 0.590 -3.185 1.00 42.42 H new ATOM 525 N GLN A 31 -6.228 -1.811 -6.910 1.00 40.25 N ATOM 526 CA GLN A 31 -5.266 -2.816 -7.398 1.00 5.52 C ATOM 527 C GLN A 31 -4.024 -2.829 -6.499 1.00 13.33 C ATOM 528 O GLN A 31 -3.573 -1.771 -6.036 1.00 11.02 O ATOM 529 CB GLN A 31 -4.826 -2.535 -8.859 1.00 74.44 C ATOM 530 CG GLN A 31 -5.960 -2.552 -9.891 1.00 14.43 C ATOM 531 CD GLN A 31 -5.428 -2.440 -11.323 1.00 23.14 C ATOM 532 OE1 GLN A 31 -5.171 -3.448 -11.987 1.00 51.02 O ATOM 533 NE2 GLN A 31 -5.213 -1.220 -11.793 1.00 13.11 N ATOM 0 H GLN A 31 -6.284 -0.974 -7.491 1.00 40.25 H new ATOM 0 HA GLN A 31 -5.766 -3.784 -7.370 1.00 5.52 H new ATOM 0 HB2 GLN A 31 -4.337 -1.562 -8.895 1.00 74.44 H new ATOM 0 HB3 GLN A 31 -4.081 -3.277 -9.147 1.00 74.44 H new ATOM 0 HG2 GLN A 31 -6.532 -3.474 -9.787 1.00 14.43 H new ATOM 0 HG3 GLN A 31 -6.645 -1.728 -9.692 1.00 14.43 H new ATOM 0 HE21 GLN A 31 -5.436 -0.406 -11.220 1.00 13.11 H new ATOM 0 HE22 GLN A 31 -4.825 -1.095 -12.728 1.00 13.11 H new ATOM 542 N TYR A 32 -3.479 -4.023 -6.265 1.00 63.33 N ATOM 543 CA TYR A 32 -2.274 -4.215 -5.454 1.00 20.12 C ATOM 544 C TYR A 32 -1.647 -5.584 -5.748 1.00 24.13 C ATOM 545 O TYR A 32 -2.279 -6.449 -6.376 1.00 64.11 O ATOM 546 CB TYR A 32 -2.598 -4.080 -3.938 1.00 3.32 C ATOM 547 CG TYR A 32 -3.493 -5.191 -3.349 1.00 52.43 C ATOM 548 CD1 TYR A 32 -4.891 -5.142 -3.457 1.00 3.31 C ATOM 549 CD2 TYR A 32 -2.940 -6.287 -2.671 1.00 30.05 C ATOM 550 CE1 TYR A 32 -5.687 -6.135 -2.915 1.00 50.21 C ATOM 551 CE2 TYR A 32 -3.737 -7.278 -2.136 1.00 33.44 C ATOM 552 CZ TYR A 32 -5.103 -7.200 -2.254 1.00 53.22 C ATOM 553 OH TYR A 32 -5.891 -8.196 -1.716 1.00 22.41 O ATOM 0 H TYR A 32 -3.864 -4.892 -6.636 1.00 63.33 H new ATOM 0 HA TYR A 32 -1.557 -3.438 -5.718 1.00 20.12 H new ATOM 0 HB2 TYR A 32 -1.660 -4.061 -3.384 1.00 3.32 H new ATOM 0 HB3 TYR A 32 -3.085 -3.119 -3.772 1.00 3.32 H new ATOM 0 HD1 TYR A 32 -5.354 -4.314 -3.973 1.00 3.31 H new ATOM 0 HD2 TYR A 32 -1.867 -6.357 -2.565 1.00 30.05 H new ATOM 0 HE1 TYR A 32 -6.762 -6.079 -3.008 1.00 50.21 H new ATOM 0 HE2 TYR A 32 -3.286 -8.115 -1.624 1.00 33.44 H new ATOM 0 HH TYR A 32 -5.321 -8.868 -1.288 1.00 22.41 H new ATOM 563 N THR A 33 -0.407 -5.767 -5.274 1.00 52.22 N ATOM 564 CA THR A 33 0.318 -7.034 -5.352 1.00 4.10 C ATOM 565 C THR A 33 1.372 -7.084 -4.234 1.00 13.14 C ATOM 566 O THR A 33 2.070 -6.107 -3.993 1.00 73.03 O ATOM 567 CB THR A 33 0.980 -7.230 -6.760 1.00 61.42 C ATOM 568 OG1 THR A 33 1.709 -8.465 -6.809 1.00 63.24 O ATOM 569 CG2 THR A 33 1.907 -6.067 -7.151 1.00 62.41 C ATOM 0 H THR A 33 0.125 -5.025 -4.819 1.00 52.22 H new ATOM 0 HA THR A 33 -0.388 -7.853 -5.217 1.00 4.10 H new ATOM 0 HB THR A 33 0.164 -7.254 -7.482 1.00 61.42 H new ATOM 0 HG1 THR A 33 2.114 -8.571 -7.695 1.00 63.24 H new ATOM 0 HG21 THR A 33 2.336 -6.259 -8.135 1.00 62.41 H new ATOM 0 HG22 THR A 33 1.335 -5.139 -7.179 1.00 62.41 H new ATOM 0 HG23 THR A 33 2.708 -5.977 -6.417 1.00 62.41 H new ATOM 577 N GLU A 34 1.455 -8.210 -3.532 1.00 50.44 N ATOM 578 CA GLU A 34 2.437 -8.422 -2.455 1.00 72.25 C ATOM 579 C GLU A 34 3.427 -9.502 -2.904 1.00 40.32 C ATOM 580 O GLU A 34 3.020 -10.550 -3.417 1.00 71.35 O ATOM 581 CB GLU A 34 1.703 -8.795 -1.136 1.00 44.53 C ATOM 582 CG GLU A 34 2.591 -8.935 0.134 1.00 51.31 C ATOM 583 CD GLU A 34 3.330 -10.288 0.266 1.00 40.42 C ATOM 584 OE1 GLU A 34 2.652 -11.311 0.491 1.00 64.12 O ATOM 585 OE2 GLU A 34 4.576 -10.335 0.152 1.00 73.44 O ATOM 0 H GLU A 34 0.843 -9.010 -3.689 1.00 50.44 H new ATOM 0 HA GLU A 34 2.998 -7.510 -2.254 1.00 72.25 H new ATOM 0 HB2 GLU A 34 0.945 -8.037 -0.941 1.00 44.53 H new ATOM 0 HB3 GLU A 34 1.178 -9.738 -1.292 1.00 44.53 H new ATOM 0 HG2 GLU A 34 3.329 -8.133 0.134 1.00 51.31 H new ATOM 0 HG3 GLU A 34 1.965 -8.792 1.015 1.00 51.31 H new ATOM 592 N THR A 35 4.721 -9.227 -2.718 1.00 41.11 N ATOM 593 CA THR A 35 5.810 -10.125 -3.117 1.00 34.42 C ATOM 594 C THR A 35 6.969 -10.011 -2.115 1.00 23.01 C ATOM 595 O THR A 35 7.530 -8.926 -1.927 1.00 63.34 O ATOM 596 CB THR A 35 6.304 -9.788 -4.565 1.00 5.40 C ATOM 597 OG1 THR A 35 5.226 -9.975 -5.499 1.00 51.32 O ATOM 598 CG2 THR A 35 7.497 -10.660 -4.989 1.00 61.35 C ATOM 0 H THR A 35 5.046 -8.365 -2.281 1.00 41.11 H new ATOM 0 HA THR A 35 5.438 -11.150 -3.117 1.00 34.42 H new ATOM 0 HB THR A 35 6.633 -8.749 -4.564 1.00 5.40 H new ATOM 0 HG1 THR A 35 5.536 -9.762 -6.404 1.00 51.32 H new ATOM 0 HG21 THR A 35 7.804 -10.390 -5.999 1.00 61.35 H new ATOM 0 HG22 THR A 35 8.328 -10.499 -4.302 1.00 61.35 H new ATOM 0 HG23 THR A 35 7.206 -11.710 -4.967 1.00 61.35 H new ATOM 606 N THR A 36 7.307 -11.126 -1.451 1.00 31.21 N ATOM 607 CA THR A 36 8.457 -11.193 -0.554 1.00 53.43 C ATOM 608 C THR A 36 9.737 -11.415 -1.384 1.00 31.35 C ATOM 609 O THR A 36 10.019 -12.528 -1.845 1.00 30.24 O ATOM 610 CB THR A 36 8.284 -12.310 0.522 1.00 61.13 C ATOM 611 OG1 THR A 36 7.026 -12.133 1.192 1.00 33.30 O ATOM 612 CG2 THR A 36 9.419 -12.285 1.566 1.00 50.51 C ATOM 0 H THR A 36 6.789 -12.002 -1.524 1.00 31.21 H new ATOM 0 HA THR A 36 8.536 -10.248 -0.016 1.00 53.43 H new ATOM 0 HB THR A 36 8.317 -13.272 0.011 1.00 61.13 H new ATOM 0 HG1 THR A 36 6.914 -12.834 1.867 1.00 33.30 H new ATOM 0 HG21 THR A 36 9.259 -13.079 2.296 1.00 50.51 H new ATOM 0 HG22 THR A 36 10.376 -12.438 1.067 1.00 50.51 H new ATOM 0 HG23 THR A 36 9.425 -11.321 2.074 1.00 50.51 H new ATOM 620 N ARG A 37 10.483 -10.328 -1.595 1.00 74.33 N ATOM 621 CA ARG A 37 11.715 -10.321 -2.395 1.00 2.45 C ATOM 622 C ARG A 37 12.848 -9.706 -1.566 1.00 55.50 C ATOM 623 O ARG A 37 12.629 -8.715 -0.860 1.00 35.32 O ATOM 624 CB ARG A 37 11.480 -9.520 -3.700 1.00 72.13 C ATOM 625 CG ARG A 37 12.679 -9.489 -4.680 1.00 54.33 C ATOM 626 CD ARG A 37 12.326 -8.804 -6.013 1.00 20.41 C ATOM 627 NE ARG A 37 11.791 -7.440 -5.825 1.00 31.34 N ATOM 628 CZ ARG A 37 11.324 -6.644 -6.803 1.00 72.41 C ATOM 629 NH1 ARG A 37 11.303 -7.039 -8.071 1.00 53.03 N ATOM 630 NH2 ARG A 37 10.904 -5.429 -6.503 1.00 3.24 N ATOM 0 H ARG A 37 10.247 -9.413 -1.210 1.00 74.33 H new ATOM 0 HA ARG A 37 11.995 -11.339 -2.666 1.00 2.45 H new ATOM 0 HB2 ARG A 37 10.619 -9.944 -4.217 1.00 72.13 H new ATOM 0 HB3 ARG A 37 11.220 -8.495 -3.436 1.00 72.13 H new ATOM 0 HG2 ARG A 37 13.513 -8.964 -4.214 1.00 54.33 H new ATOM 0 HG3 ARG A 37 13.013 -10.508 -4.875 1.00 54.33 H new ATOM 0 HD2 ARG A 37 13.216 -8.758 -6.641 1.00 20.41 H new ATOM 0 HD3 ARG A 37 11.591 -9.409 -6.545 1.00 20.41 H new ATOM 0 HE ARG A 37 11.774 -7.071 -4.874 1.00 31.34 H new ATOM 0 HH11 ARG A 37 11.646 -7.966 -8.322 1.00 53.03 H new ATOM 0 HH12 ARG A 37 10.943 -6.415 -8.794 1.00 53.03 H new ATOM 0 HH21 ARG A 37 10.936 -5.102 -5.537 1.00 3.24 H new ATOM 0 HH22 ARG A 37 10.548 -4.817 -7.237 1.00 3.24 H new ATOM 644 N ASN A 38 14.050 -10.322 -1.645 1.00 74.23 N ATOM 645 CA ASN A 38 15.275 -9.870 -0.932 1.00 43.14 C ATOM 646 C ASN A 38 15.150 -10.080 0.593 1.00 62.12 C ATOM 647 O ASN A 38 15.861 -9.442 1.379 1.00 63.14 O ATOM 648 CB ASN A 38 15.618 -8.381 -1.277 1.00 23.21 C ATOM 649 CG ASN A 38 15.747 -8.080 -2.778 1.00 42.11 C ATOM 650 OD1 ASN A 38 15.428 -6.976 -3.231 1.00 13.52 O ATOM 651 ND2 ASN A 38 16.203 -9.037 -3.569 1.00 1.23 N ATOM 0 H ASN A 38 14.202 -11.157 -2.211 1.00 74.23 H new ATOM 0 HA ASN A 38 16.103 -10.487 -1.280 1.00 43.14 H new ATOM 0 HB2 ASN A 38 14.844 -7.738 -0.857 1.00 23.21 H new ATOM 0 HB3 ASN A 38 16.554 -8.115 -0.786 1.00 23.21 H new ATOM 0 HD21 ASN A 38 16.296 -8.869 -4.571 1.00 1.23 H new ATOM 0 HD22 ASN A 38 16.462 -9.943 -3.177 1.00 1.23 H new ATOM 658 N GLY A 39 14.263 -11.011 0.999 1.00 31.52 N ATOM 659 CA GLY A 39 14.045 -11.332 2.416 1.00 33.15 C ATOM 660 C GLY A 39 12.895 -10.553 3.042 1.00 42.33 C ATOM 661 O GLY A 39 12.399 -10.936 4.104 1.00 51.43 O ATOM 0 H GLY A 39 13.685 -11.554 0.358 1.00 31.52 H new ATOM 0 HA2 GLY A 39 13.846 -12.399 2.513 1.00 33.15 H new ATOM 0 HA3 GLY A 39 14.959 -11.126 2.973 1.00 33.15 H new ATOM 665 N ARG A 40 12.475 -9.447 2.393 1.00 30.22 N ATOM 666 CA ARG A 40 11.392 -8.571 2.882 1.00 70.42 C ATOM 667 C ARG A 40 10.223 -8.556 1.895 1.00 51.44 C ATOM 668 O ARG A 40 10.419 -8.620 0.682 1.00 44.20 O ATOM 669 CB ARG A 40 11.916 -7.123 3.105 1.00 21.04 C ATOM 670 CG ARG A 40 12.766 -6.954 4.378 1.00 64.43 C ATOM 671 CD ARG A 40 13.291 -5.521 4.560 1.00 0.11 C ATOM 672 NE ARG A 40 13.817 -5.314 5.917 1.00 3.23 N ATOM 673 CZ ARG A 40 14.754 -4.423 6.269 1.00 43.11 C ATOM 674 NH1 ARG A 40 15.338 -3.640 5.360 1.00 61.35 N ATOM 675 NH2 ARG A 40 15.088 -4.304 7.549 1.00 53.25 N ATOM 0 H ARG A 40 12.880 -9.136 1.510 1.00 30.22 H new ATOM 0 HA ARG A 40 11.042 -8.968 3.835 1.00 70.42 H new ATOM 0 HB2 ARG A 40 12.511 -6.826 2.241 1.00 21.04 H new ATOM 0 HB3 ARG A 40 11.065 -6.443 3.156 1.00 21.04 H new ATOM 0 HG2 ARG A 40 12.169 -7.230 5.247 1.00 64.43 H new ATOM 0 HG3 ARG A 40 13.610 -7.643 4.340 1.00 64.43 H new ATOM 0 HD2 ARG A 40 14.075 -5.323 3.829 1.00 0.11 H new ATOM 0 HD3 ARG A 40 12.488 -4.810 4.366 1.00 0.11 H new ATOM 0 HE ARG A 40 13.434 -5.902 6.658 1.00 3.23 H new ATOM 0 HH11 ARG A 40 15.073 -3.714 4.378 1.00 61.35 H new ATOM 0 HH12 ARG A 40 16.049 -2.968 5.647 1.00 61.35 H new ATOM 0 HH21 ARG A 40 14.633 -4.887 8.251 1.00 53.25 H new ATOM 0 HH22 ARG A 40 15.800 -3.630 7.830 1.00 53.25 H new ATOM 689 N ARG A 41 9.010 -8.455 2.438 1.00 24.01 N ATOM 690 CA ARG A 41 7.785 -8.323 1.640 1.00 75.12 C ATOM 691 C ARG A 41 7.551 -6.859 1.242 1.00 43.24 C ATOM 692 O ARG A 41 7.816 -5.936 2.030 1.00 72.05 O ATOM 693 CB ARG A 41 6.564 -8.916 2.393 1.00 62.24 C ATOM 694 CG ARG A 41 6.451 -8.543 3.889 1.00 21.23 C ATOM 695 CD ARG A 41 5.193 -9.143 4.535 1.00 1.21 C ATOM 696 NE ARG A 41 5.298 -9.237 5.996 1.00 53.33 N ATOM 697 CZ ARG A 41 4.512 -10.002 6.760 1.00 20.10 C ATOM 698 NH1 ARG A 41 3.547 -10.732 6.219 1.00 31.50 N ATOM 699 NH2 ARG A 41 4.738 -10.094 8.053 1.00 43.20 N ATOM 0 H ARG A 41 8.846 -8.462 3.445 1.00 24.01 H new ATOM 0 HA ARG A 41 7.910 -8.898 0.722 1.00 75.12 H new ATOM 0 HB2 ARG A 41 5.655 -8.590 1.887 1.00 62.24 H new ATOM 0 HB3 ARG A 41 6.602 -10.002 2.311 1.00 62.24 H new ATOM 0 HG2 ARG A 41 7.335 -8.897 4.419 1.00 21.23 H new ATOM 0 HG3 ARG A 41 6.430 -7.458 3.992 1.00 21.23 H new ATOM 0 HD2 ARG A 41 4.329 -8.531 4.275 1.00 1.21 H new ATOM 0 HD3 ARG A 41 5.016 -10.136 4.123 1.00 1.21 H new ATOM 0 HE ARG A 41 6.018 -8.682 6.459 1.00 53.33 H new ATOM 0 HH11 ARG A 41 3.398 -10.714 5.210 1.00 31.50 H new ATOM 0 HH12 ARG A 41 2.953 -11.312 6.812 1.00 31.50 H new ATOM 0 HH21 ARG A 41 5.513 -9.581 8.473 1.00 43.20 H new ATOM 0 HH22 ARG A 41 4.138 -10.678 8.635 1.00 43.20 H new ATOM 713 N GLN A 42 7.068 -6.669 0.004 1.00 63.23 N ATOM 714 CA GLN A 42 6.752 -5.350 -0.557 1.00 1.42 C ATOM 715 C GLN A 42 5.332 -5.365 -1.148 1.00 3.30 C ATOM 716 O GLN A 42 4.969 -6.269 -1.910 1.00 50.45 O ATOM 717 CB GLN A 42 7.802 -4.943 -1.628 1.00 43.02 C ATOM 718 CG GLN A 42 7.980 -5.945 -2.784 1.00 11.01 C ATOM 719 CD GLN A 42 8.990 -5.482 -3.824 1.00 53.45 C ATOM 720 OE1 GLN A 42 10.190 -5.765 -3.727 1.00 41.54 O ATOM 721 NE2 GLN A 42 8.513 -4.758 -4.833 1.00 4.31 N ATOM 0 H GLN A 42 6.885 -7.437 -0.641 1.00 63.23 H new ATOM 0 HA GLN A 42 6.789 -4.606 0.239 1.00 1.42 H new ATOM 0 HB2 GLN A 42 7.516 -3.978 -2.046 1.00 43.02 H new ATOM 0 HB3 GLN A 42 8.765 -4.805 -1.136 1.00 43.02 H new ATOM 0 HG2 GLN A 42 8.299 -6.905 -2.379 1.00 11.01 H new ATOM 0 HG3 GLN A 42 7.017 -6.107 -3.268 1.00 11.01 H new ATOM 0 HE21 GLN A 42 7.517 -4.544 -4.881 1.00 4.31 H new ATOM 0 HE22 GLN A 42 9.143 -4.417 -5.559 1.00 4.31 H new ATOM 730 N LEU A 43 4.528 -4.372 -0.752 1.00 73.02 N ATOM 731 CA LEU A 43 3.162 -4.192 -1.233 1.00 22.45 C ATOM 732 C LEU A 43 3.212 -3.091 -2.299 1.00 63.33 C ATOM 733 O LEU A 43 3.394 -1.915 -1.981 1.00 70.33 O ATOM 734 CB LEU A 43 2.221 -3.785 -0.038 1.00 43.53 C ATOM 735 CG LEU A 43 0.833 -4.495 0.051 1.00 62.55 C ATOM 736 CD1 LEU A 43 0.036 -3.987 1.273 1.00 22.30 C ATOM 737 CD2 LEU A 43 0.026 -4.349 -1.254 1.00 71.11 C ATOM 0 H LEU A 43 4.816 -3.663 -0.078 1.00 73.02 H new ATOM 0 HA LEU A 43 2.762 -5.113 -1.657 1.00 22.45 H new ATOM 0 HB2 LEU A 43 2.757 -3.972 0.893 1.00 43.53 H new ATOM 0 HB3 LEU A 43 2.048 -2.710 -0.095 1.00 43.53 H new ATOM 0 HG LEU A 43 1.016 -5.561 0.188 1.00 62.55 H new ATOM 0 HD11 LEU A 43 -0.928 -4.495 1.316 1.00 22.30 H new ATOM 0 HD12 LEU A 43 0.596 -4.195 2.185 1.00 22.30 H new ATOM 0 HD13 LEU A 43 -0.124 -2.913 1.182 1.00 22.30 H new ATOM 0 HD21 LEU A 43 -0.932 -4.858 -1.148 1.00 71.11 H new ATOM 0 HD22 LEU A 43 -0.145 -3.292 -1.460 1.00 71.11 H new ATOM 0 HD23 LEU A 43 0.584 -4.794 -2.078 1.00 71.11 H new ATOM 749 N THR A 44 3.073 -3.492 -3.558 1.00 51.52 N ATOM 750 CA THR A 44 3.112 -2.593 -4.700 1.00 3.51 C ATOM 751 C THR A 44 1.660 -2.307 -5.123 1.00 44.24 C ATOM 752 O THR A 44 0.982 -3.157 -5.713 1.00 34.11 O ATOM 753 CB THR A 44 3.945 -3.249 -5.848 1.00 31.02 C ATOM 754 OG1 THR A 44 5.248 -3.622 -5.344 1.00 31.14 O ATOM 755 CG2 THR A 44 4.103 -2.316 -7.061 1.00 1.42 C ATOM 0 H THR A 44 2.928 -4.468 -3.815 1.00 51.52 H new ATOM 0 HA THR A 44 3.596 -1.649 -4.452 1.00 3.51 H new ATOM 0 HB THR A 44 3.404 -4.132 -6.187 1.00 31.02 H new ATOM 0 HG1 THR A 44 5.710 -4.174 -6.009 1.00 31.14 H new ATOM 0 HG21 THR A 44 4.689 -2.817 -7.831 1.00 1.42 H new ATOM 0 HG22 THR A 44 3.119 -2.066 -7.458 1.00 1.42 H new ATOM 0 HG23 THR A 44 4.613 -1.403 -6.754 1.00 1.42 H new ATOM 763 N ILE A 45 1.192 -1.106 -4.770 1.00 40.23 N ATOM 764 CA ILE A 45 -0.209 -0.683 -4.921 1.00 1.44 C ATOM 765 C ILE A 45 -0.340 0.198 -6.161 1.00 51.10 C ATOM 766 O ILE A 45 0.430 1.138 -6.332 1.00 72.13 O ATOM 767 CB ILE A 45 -0.681 0.097 -3.642 1.00 72.20 C ATOM 768 CG1 ILE A 45 -0.507 -0.810 -2.385 1.00 35.10 C ATOM 769 CG2 ILE A 45 -2.139 0.601 -3.790 1.00 51.04 C ATOM 770 CD1 ILE A 45 -0.903 -0.168 -1.078 1.00 24.32 C ATOM 0 H ILE A 45 1.786 -0.384 -4.363 1.00 40.23 H new ATOM 0 HA ILE A 45 -0.842 -1.562 -5.038 1.00 1.44 H new ATOM 0 HB ILE A 45 -0.059 0.983 -3.520 1.00 72.20 H new ATOM 0 HG12 ILE A 45 -1.099 -1.714 -2.523 1.00 35.10 H new ATOM 0 HG13 ILE A 45 0.536 -1.119 -2.320 1.00 35.10 H new ATOM 0 HG21 ILE A 45 -2.432 1.136 -2.887 1.00 51.04 H new ATOM 0 HG22 ILE A 45 -2.207 1.271 -4.647 1.00 51.04 H new ATOM 0 HG23 ILE A 45 -2.804 -0.249 -3.940 1.00 51.04 H new ATOM 0 HD11 ILE A 45 -0.747 -0.875 -0.263 1.00 24.32 H new ATOM 0 HD12 ILE A 45 -0.294 0.720 -0.910 1.00 24.32 H new ATOM 0 HD13 ILE A 45 -1.955 0.115 -1.116 1.00 24.32 H new ATOM 782 N ARG A 46 -1.311 -0.121 -7.024 1.00 42.24 N ATOM 783 CA ARG A 46 -1.526 0.568 -8.302 1.00 12.43 C ATOM 784 C ARG A 46 -2.919 1.219 -8.277 1.00 53.43 C ATOM 785 O ARG A 46 -3.932 0.524 -8.190 1.00 41.41 O ATOM 786 CB ARG A 46 -1.389 -0.453 -9.473 1.00 42.51 C ATOM 787 CG ARG A 46 -0.139 -1.368 -9.376 1.00 71.03 C ATOM 788 CD ARG A 46 0.082 -2.220 -10.633 1.00 23.32 C ATOM 789 NE ARG A 46 -1.121 -2.971 -11.033 1.00 63.23 N ATOM 790 CZ ARG A 46 -1.260 -3.640 -12.192 1.00 15.32 C ATOM 791 NH1 ARG A 46 -0.267 -3.685 -13.079 1.00 3.45 N ATOM 792 NH2 ARG A 46 -2.407 -4.240 -12.474 1.00 13.51 N ATOM 0 H ARG A 46 -1.978 -0.874 -6.853 1.00 42.24 H new ATOM 0 HA ARG A 46 -0.779 1.347 -8.453 1.00 12.43 H new ATOM 0 HB2 ARG A 46 -2.282 -1.078 -9.502 1.00 42.51 H new ATOM 0 HB3 ARG A 46 -1.353 0.094 -10.415 1.00 42.51 H new ATOM 0 HG2 ARG A 46 0.743 -0.751 -9.203 1.00 71.03 H new ATOM 0 HG3 ARG A 46 -0.243 -2.025 -8.513 1.00 71.03 H new ATOM 0 HD2 ARG A 46 0.391 -1.574 -11.455 1.00 23.32 H new ATOM 0 HD3 ARG A 46 0.898 -2.920 -10.453 1.00 23.32 H new ATOM 0 HE ARG A 46 -1.907 -2.985 -10.383 1.00 63.23 H new ATOM 0 HH11 ARG A 46 0.613 -3.208 -12.884 1.00 3.45 H new ATOM 0 HH12 ARG A 46 -0.387 -4.196 -13.953 1.00 3.45 H new ATOM 0 HH21 ARG A 46 -3.183 -4.194 -11.813 1.00 13.51 H new ATOM 0 HH22 ARG A 46 -2.515 -4.748 -13.352 1.00 13.51 H new ATOM 806 N SER A 47 -2.956 2.553 -8.334 1.00 54.30 N ATOM 807 CA SER A 47 -4.200 3.336 -8.246 1.00 2.22 C ATOM 808 C SER A 47 -4.471 4.046 -9.576 1.00 62.20 C ATOM 809 O SER A 47 -3.529 4.438 -10.290 1.00 54.34 O ATOM 810 CB SER A 47 -4.081 4.355 -7.096 1.00 32.25 C ATOM 811 OG SER A 47 -2.955 5.189 -7.281 1.00 34.10 O ATOM 0 H SER A 47 -2.120 3.128 -8.443 1.00 54.30 H new ATOM 0 HA SER A 47 -5.038 2.669 -8.042 1.00 2.22 H new ATOM 0 HB2 SER A 47 -4.985 4.962 -7.047 1.00 32.25 H new ATOM 0 HB3 SER A 47 -3.998 3.829 -6.145 1.00 32.25 H new ATOM 0 HG SER A 47 -2.346 5.089 -6.520 1.00 34.10 H new ATOM 817 N ASN A 48 -5.761 4.195 -9.908 1.00 15.11 N ATOM 818 CA ASN A 48 -6.202 4.889 -11.132 1.00 5.24 C ATOM 819 C ASN A 48 -6.522 6.361 -10.825 1.00 63.02 C ATOM 820 O ASN A 48 -6.304 7.230 -11.669 1.00 70.52 O ATOM 821 CB ASN A 48 -7.435 4.178 -11.762 1.00 52.41 C ATOM 822 CG ASN A 48 -8.688 4.240 -10.886 1.00 34.12 C ATOM 823 OD1 ASN A 48 -9.523 5.137 -11.030 1.00 34.25 O ATOM 824 ND2 ASN A 48 -8.818 3.310 -9.960 1.00 65.44 N ATOM 0 H ASN A 48 -6.529 3.840 -9.339 1.00 15.11 H new ATOM 0 HA ASN A 48 -5.389 4.854 -11.857 1.00 5.24 H new ATOM 0 HB2 ASN A 48 -7.653 4.634 -12.728 1.00 52.41 H new ATOM 0 HB3 ASN A 48 -7.185 3.134 -11.952 1.00 52.41 H new ATOM 0 HD21 ASN A 48 -9.626 3.319 -9.338 1.00 65.44 H new ATOM 0 HD22 ASN A 48 -8.110 2.581 -9.866 1.00 65.44 H new ATOM 831 N ASP A 49 -7.010 6.628 -9.594 1.00 14.34 N ATOM 832 CA ASP A 49 -7.551 7.946 -9.191 1.00 24.33 C ATOM 833 C ASP A 49 -6.691 8.591 -8.085 1.00 20.42 C ATOM 834 O ASP A 49 -6.101 7.887 -7.261 1.00 35.13 O ATOM 835 CB ASP A 49 -9.026 7.806 -8.725 1.00 24.34 C ATOM 836 CG ASP A 49 -9.661 9.170 -8.390 1.00 1.21 C ATOM 837 OD1 ASP A 49 -10.003 9.921 -9.328 1.00 50.11 O ATOM 838 OD2 ASP A 49 -9.783 9.514 -7.194 1.00 2.25 O ATOM 0 H ASP A 49 -7.040 5.933 -8.848 1.00 14.34 H new ATOM 0 HA ASP A 49 -7.520 8.602 -10.061 1.00 24.33 H new ATOM 0 HB2 ASP A 49 -9.608 7.318 -9.507 1.00 24.34 H new ATOM 0 HB3 ASP A 49 -9.069 7.162 -7.847 1.00 24.34 H new ATOM 843 N LYS A 50 -6.616 9.938 -8.117 1.00 32.21 N ATOM 844 CA LYS A 50 -5.814 10.750 -7.188 1.00 10.44 C ATOM 845 C LYS A 50 -6.371 10.681 -5.751 1.00 52.34 C ATOM 846 O LYS A 50 -5.627 10.419 -4.813 1.00 42.15 O ATOM 847 CB LYS A 50 -5.761 12.224 -7.678 1.00 44.02 C ATOM 848 CG LYS A 50 -4.780 13.132 -6.894 1.00 45.34 C ATOM 849 CD LYS A 50 -3.318 12.636 -6.970 1.00 21.53 C ATOM 850 CE LYS A 50 -2.327 13.578 -6.277 1.00 3.41 C ATOM 851 NZ LYS A 50 -2.616 13.734 -4.822 1.00 60.32 N ATOM 0 H LYS A 50 -7.122 10.499 -8.803 1.00 32.21 H new ATOM 0 HA LYS A 50 -4.803 10.342 -7.171 1.00 10.44 H new ATOM 0 HB2 LYS A 50 -5.480 12.233 -8.731 1.00 44.02 H new ATOM 0 HB3 LYS A 50 -6.762 12.651 -7.612 1.00 44.02 H new ATOM 0 HG2 LYS A 50 -4.836 14.147 -7.289 1.00 45.34 H new ATOM 0 HG3 LYS A 50 -5.090 13.178 -5.850 1.00 45.34 H new ATOM 0 HD2 LYS A 50 -3.251 11.648 -6.513 1.00 21.53 H new ATOM 0 HD3 LYS A 50 -3.033 12.524 -8.016 1.00 21.53 H new ATOM 0 HE2 LYS A 50 -1.315 13.195 -6.405 1.00 3.41 H new ATOM 0 HE3 LYS A 50 -2.361 14.555 -6.759 1.00 3.41 H new ATOM 0 HZ1 LYS A 50 -1.890 14.339 -4.387 1.00 60.32 H new ATOM 0 HZ2 LYS A 50 -3.551 14.172 -4.699 1.00 60.32 H new ATOM 0 HZ3 LYS A 50 -2.608 12.800 -4.364 1.00 60.32 H new ATOM 865 N ASN A 51 -7.689 10.896 -5.589 1.00 11.40 N ATOM 866 CA ASN A 51 -8.345 10.882 -4.247 1.00 22.22 C ATOM 867 C ASN A 51 -8.229 9.480 -3.613 1.00 15.02 C ATOM 868 O ASN A 51 -8.188 9.336 -2.383 1.00 10.14 O ATOM 869 CB ASN A 51 -9.837 11.293 -4.354 1.00 34.01 C ATOM 870 CG ASN A 51 -10.038 12.601 -5.121 1.00 54.20 C ATOM 871 OD1 ASN A 51 -10.011 13.691 -4.545 1.00 23.30 O ATOM 872 ND2 ASN A 51 -10.236 12.502 -6.433 1.00 21.14 N ATOM 0 H ASN A 51 -8.328 11.082 -6.362 1.00 11.40 H new ATOM 0 HA ASN A 51 -7.834 11.606 -3.612 1.00 22.22 H new ATOM 0 HB2 ASN A 51 -10.394 10.497 -4.849 1.00 34.01 H new ATOM 0 HB3 ASN A 51 -10.253 11.397 -3.352 1.00 34.01 H new ATOM 0 HD21 ASN A 51 -10.371 13.344 -6.993 1.00 21.14 H new ATOM 0 HD22 ASN A 51 -10.253 11.585 -6.878 1.00 21.14 H new ATOM 879 N GLU A 52 -8.178 8.462 -4.496 1.00 20.52 N ATOM 880 CA GLU A 52 -7.955 7.061 -4.128 1.00 13.14 C ATOM 881 C GLU A 52 -6.539 6.866 -3.559 1.00 72.15 C ATOM 882 O GLU A 52 -6.395 6.367 -2.440 1.00 22.04 O ATOM 883 CB GLU A 52 -8.193 6.149 -5.356 1.00 62.12 C ATOM 884 CG GLU A 52 -7.931 4.648 -5.128 1.00 10.44 C ATOM 885 CD GLU A 52 -8.217 3.809 -6.380 1.00 24.14 C ATOM 886 OE1 GLU A 52 -7.487 3.969 -7.390 1.00 44.32 O ATOM 887 OE2 GLU A 52 -9.189 3.011 -6.379 1.00 41.31 O ATOM 0 H GLU A 52 -8.293 8.599 -5.500 1.00 20.52 H new ATOM 0 HA GLU A 52 -8.665 6.784 -3.349 1.00 13.14 H new ATOM 0 HB2 GLU A 52 -9.225 6.274 -5.685 1.00 62.12 H new ATOM 0 HB3 GLU A 52 -7.555 6.492 -6.170 1.00 62.12 H new ATOM 0 HG2 GLU A 52 -6.893 4.504 -4.827 1.00 10.44 H new ATOM 0 HG3 GLU A 52 -8.553 4.294 -4.306 1.00 10.44 H new ATOM 894 N VAL A 53 -5.503 7.305 -4.317 1.00 71.42 N ATOM 895 CA VAL A 53 -4.090 7.118 -3.918 1.00 53.11 C ATOM 896 C VAL A 53 -3.770 7.897 -2.631 1.00 42.03 C ATOM 897 O VAL A 53 -2.964 7.448 -1.823 1.00 74.45 O ATOM 898 CB VAL A 53 -3.056 7.494 -5.056 1.00 1.53 C ATOM 899 CG1 VAL A 53 -3.027 8.995 -5.391 1.00 24.51 C ATOM 900 CG2 VAL A 53 -1.641 6.993 -4.704 1.00 41.51 C ATOM 0 H VAL A 53 -5.622 7.790 -5.206 1.00 71.42 H new ATOM 0 HA VAL A 53 -3.975 6.050 -3.732 1.00 53.11 H new ATOM 0 HB VAL A 53 -3.405 6.985 -5.954 1.00 1.53 H new ATOM 0 HG11 VAL A 53 -2.296 9.178 -6.179 1.00 24.51 H new ATOM 0 HG12 VAL A 53 -4.013 9.311 -5.731 1.00 24.51 H new ATOM 0 HG13 VAL A 53 -2.751 9.561 -4.501 1.00 24.51 H new ATOM 0 HG21 VAL A 53 -0.950 7.264 -5.502 1.00 41.51 H new ATOM 0 HG22 VAL A 53 -1.315 7.451 -3.770 1.00 41.51 H new ATOM 0 HG23 VAL A 53 -1.657 5.909 -4.590 1.00 41.51 H new ATOM 910 N ASP A 54 -4.449 9.046 -2.446 1.00 21.51 N ATOM 911 CA ASP A 54 -4.300 9.887 -1.244 1.00 2.44 C ATOM 912 C ASP A 54 -4.854 9.170 -0.002 1.00 62.24 C ATOM 913 O ASP A 54 -4.268 9.268 1.079 1.00 74.43 O ATOM 914 CB ASP A 54 -4.994 11.263 -1.437 1.00 74.51 C ATOM 915 CG ASP A 54 -4.298 12.153 -2.482 1.00 43.13 C ATOM 916 OD1 ASP A 54 -3.055 12.263 -2.437 1.00 71.15 O ATOM 917 OD2 ASP A 54 -4.980 12.774 -3.329 1.00 33.12 O ATOM 0 H ASP A 54 -5.115 9.416 -3.125 1.00 21.51 H new ATOM 0 HA ASP A 54 -3.236 10.064 -1.090 1.00 2.44 H new ATOM 0 HB2 ASP A 54 -6.029 11.101 -1.739 1.00 74.51 H new ATOM 0 HB3 ASP A 54 -5.019 11.787 -0.482 1.00 74.51 H new ATOM 922 N ARG A 55 -5.971 8.437 -0.181 1.00 73.24 N ATOM 923 CA ARG A 55 -6.571 7.615 0.891 1.00 21.14 C ATOM 924 C ARG A 55 -5.598 6.511 1.341 1.00 3.20 C ATOM 925 O ARG A 55 -5.417 6.289 2.531 1.00 34.15 O ATOM 926 CB ARG A 55 -7.894 6.975 0.413 1.00 72.34 C ATOM 927 CG ARG A 55 -8.563 6.035 1.450 1.00 20.24 C ATOM 928 CD ARG A 55 -9.831 5.377 0.912 1.00 44.15 C ATOM 929 NE ARG A 55 -10.843 6.361 0.520 1.00 23.21 N ATOM 930 CZ ARG A 55 -12.131 6.094 0.274 1.00 23.31 C ATOM 931 NH1 ARG A 55 -12.614 4.860 0.373 1.00 72.15 N ATOM 932 NH2 ARG A 55 -12.944 7.084 -0.055 1.00 71.00 N ATOM 0 H ARG A 55 -6.480 8.397 -1.064 1.00 73.24 H new ATOM 0 HA ARG A 55 -6.779 8.271 1.737 1.00 21.14 H new ATOM 0 HB2 ARG A 55 -8.595 7.769 0.155 1.00 72.34 H new ATOM 0 HB3 ARG A 55 -7.702 6.411 -0.500 1.00 72.34 H new ATOM 0 HG2 ARG A 55 -7.854 5.262 1.745 1.00 20.24 H new ATOM 0 HG3 ARG A 55 -8.806 6.604 2.347 1.00 20.24 H new ATOM 0 HD2 ARG A 55 -9.579 4.756 0.053 1.00 44.15 H new ATOM 0 HD3 ARG A 55 -10.246 4.716 1.673 1.00 44.15 H new ATOM 0 HE ARG A 55 -10.541 7.331 0.427 1.00 23.21 H new ATOM 0 HH11 ARG A 55 -11.999 4.092 0.642 1.00 72.15 H new ATOM 0 HH12 ARG A 55 -13.600 4.681 0.180 1.00 72.15 H new ATOM 0 HH21 ARG A 55 -12.587 8.037 -0.119 1.00 71.00 H new ATOM 0 HH22 ARG A 55 -13.928 6.894 -0.245 1.00 71.00 H new ATOM 946 N ILE A 56 -4.974 5.845 0.361 1.00 74.41 N ATOM 947 CA ILE A 56 -4.042 4.722 0.593 1.00 41.43 C ATOM 948 C ILE A 56 -2.749 5.228 1.269 1.00 64.04 C ATOM 949 O ILE A 56 -2.217 4.600 2.195 1.00 70.11 O ATOM 950 CB ILE A 56 -3.680 4.038 -0.772 1.00 74.41 C ATOM 951 CG1 ILE A 56 -4.968 3.646 -1.568 1.00 70.44 C ATOM 952 CG2 ILE A 56 -2.768 2.813 -0.553 1.00 13.34 C ATOM 953 CD1 ILE A 56 -4.731 3.410 -3.049 1.00 61.23 C ATOM 0 H ILE A 56 -5.100 6.069 -0.626 1.00 74.41 H new ATOM 0 HA ILE A 56 -4.528 3.998 1.247 1.00 41.43 H new ATOM 0 HB ILE A 56 -3.129 4.763 -1.371 1.00 74.41 H new ATOM 0 HG12 ILE A 56 -5.392 2.743 -1.130 1.00 70.44 H new ATOM 0 HG13 ILE A 56 -5.710 4.436 -1.451 1.00 70.44 H new ATOM 0 HG21 ILE A 56 -2.533 2.358 -1.515 1.00 13.34 H new ATOM 0 HG22 ILE A 56 -1.846 3.129 -0.065 1.00 13.34 H new ATOM 0 HG23 ILE A 56 -3.281 2.086 0.077 1.00 13.34 H new ATOM 0 HD11 ILE A 56 -5.672 3.143 -3.530 1.00 61.23 H new ATOM 0 HD12 ILE A 56 -4.336 4.319 -3.504 1.00 61.23 H new ATOM 0 HD13 ILE A 56 -4.014 2.599 -3.178 1.00 61.23 H new ATOM 965 N LEU A 57 -2.285 6.387 0.770 1.00 71.34 N ATOM 966 CA LEU A 57 -1.049 7.063 1.198 1.00 64.40 C ATOM 967 C LEU A 57 -1.114 7.390 2.699 1.00 21.12 C ATOM 968 O LEU A 57 -0.186 7.087 3.447 1.00 20.02 O ATOM 969 CB LEU A 57 -0.858 8.346 0.324 1.00 63.32 C ATOM 970 CG LEU A 57 0.590 8.908 0.147 1.00 52.24 C ATOM 971 CD1 LEU A 57 0.648 9.889 -1.044 1.00 63.15 C ATOM 972 CD2 LEU A 57 1.137 9.579 1.426 1.00 51.30 C ATOM 0 H LEU A 57 -2.776 6.895 0.034 1.00 71.34 H new ATOM 0 HA LEU A 57 -0.187 6.412 1.054 1.00 64.40 H new ATOM 0 HB2 LEU A 57 -1.258 8.136 -0.668 1.00 63.32 H new ATOM 0 HB3 LEU A 57 -1.472 9.137 0.754 1.00 63.32 H new ATOM 0 HG LEU A 57 1.234 8.053 -0.058 1.00 52.24 H new ATOM 0 HD11 LEU A 57 1.663 10.270 -1.152 1.00 63.15 H new ATOM 0 HD12 LEU A 57 0.356 9.370 -1.957 1.00 63.15 H new ATOM 0 HD13 LEU A 57 -0.034 10.720 -0.865 1.00 63.15 H new ATOM 0 HD21 LEU A 57 2.145 9.949 1.240 1.00 51.30 H new ATOM 0 HD22 LEU A 57 0.491 10.411 1.705 1.00 51.30 H new ATOM 0 HD23 LEU A 57 1.161 8.851 2.237 1.00 51.30 H new ATOM 984 N GLU A 58 -2.243 7.983 3.128 1.00 60.13 N ATOM 985 CA GLU A 58 -2.454 8.319 4.542 1.00 2.34 C ATOM 986 C GLU A 58 -2.724 7.043 5.359 1.00 32.13 C ATOM 987 O GLU A 58 -2.227 6.930 6.468 1.00 33.13 O ATOM 988 CB GLU A 58 -3.599 9.346 4.713 1.00 14.04 C ATOM 989 CG GLU A 58 -4.984 8.843 4.263 1.00 24.20 C ATOM 990 CD GLU A 58 -6.105 9.871 4.419 1.00 53.51 C ATOM 991 OE1 GLU A 58 -6.294 10.375 5.546 1.00 71.20 O ATOM 992 OE2 GLU A 58 -6.818 10.169 3.438 1.00 52.15 O ATOM 0 H GLU A 58 -3.018 8.237 2.516 1.00 60.13 H new ATOM 0 HA GLU A 58 -1.544 8.784 4.921 1.00 2.34 H new ATOM 0 HB2 GLU A 58 -3.656 9.636 5.762 1.00 14.04 H new ATOM 0 HB3 GLU A 58 -3.352 10.244 4.147 1.00 14.04 H new ATOM 0 HG2 GLU A 58 -4.926 8.541 3.217 1.00 24.20 H new ATOM 0 HG3 GLU A 58 -5.240 7.953 4.838 1.00 24.20 H new ATOM 999 N GLU A 59 -3.479 6.077 4.771 1.00 31.10 N ATOM 1000 CA GLU A 59 -3.870 4.816 5.449 1.00 54.24 C ATOM 1001 C GLU A 59 -2.654 4.044 5.954 1.00 4.23 C ATOM 1002 O GLU A 59 -2.651 3.568 7.086 1.00 4.31 O ATOM 1003 CB GLU A 59 -4.762 3.905 4.530 1.00 45.23 C ATOM 1004 CG GLU A 59 -6.279 4.045 4.777 1.00 53.44 C ATOM 1005 CD GLU A 59 -6.687 3.581 6.192 1.00 15.41 C ATOM 1006 OE1 GLU A 59 -6.918 2.365 6.386 1.00 31.23 O ATOM 1007 OE2 GLU A 59 -6.775 4.423 7.113 1.00 4.10 O ATOM 0 H GLU A 59 -3.832 6.152 3.817 1.00 31.10 H new ATOM 0 HA GLU A 59 -4.469 5.103 6.313 1.00 54.24 H new ATOM 0 HB2 GLU A 59 -4.552 4.144 3.488 1.00 45.23 H new ATOM 0 HB3 GLU A 59 -4.476 2.864 4.682 1.00 45.23 H new ATOM 0 HG2 GLU A 59 -6.573 5.086 4.639 1.00 53.44 H new ATOM 0 HG3 GLU A 59 -6.821 3.460 4.035 1.00 53.44 H new ATOM 1014 N VAL A 60 -1.614 3.942 5.119 1.00 74.20 N ATOM 1015 CA VAL A 60 -0.391 3.236 5.511 1.00 64.42 C ATOM 1016 C VAL A 60 0.399 4.049 6.565 1.00 21.23 C ATOM 1017 O VAL A 60 0.953 3.480 7.490 1.00 52.54 O ATOM 1018 CB VAL A 60 0.505 2.862 4.277 1.00 4.43 C ATOM 1019 CG1 VAL A 60 0.981 4.100 3.490 1.00 3.23 C ATOM 1020 CG2 VAL A 60 1.684 1.969 4.720 1.00 63.11 C ATOM 0 H VAL A 60 -1.594 4.335 4.178 1.00 74.20 H new ATOM 0 HA VAL A 60 -0.693 2.294 5.968 1.00 64.42 H new ATOM 0 HB VAL A 60 -0.113 2.292 3.584 1.00 4.43 H new ATOM 0 HG11 VAL A 60 1.596 3.782 2.648 1.00 3.23 H new ATOM 0 HG12 VAL A 60 0.116 4.650 3.120 1.00 3.23 H new ATOM 0 HG13 VAL A 60 1.568 4.744 4.145 1.00 3.23 H new ATOM 0 HG21 VAL A 60 2.296 1.718 3.854 1.00 63.11 H new ATOM 0 HG22 VAL A 60 2.291 2.504 5.450 1.00 63.11 H new ATOM 0 HG23 VAL A 60 1.298 1.054 5.169 1.00 63.11 H new ATOM 1030 N ARG A 61 0.388 5.386 6.456 1.00 30.31 N ATOM 1031 CA ARG A 61 1.116 6.261 7.404 1.00 25.41 C ATOM 1032 C ARG A 61 0.421 6.319 8.790 1.00 53.52 C ATOM 1033 O ARG A 61 1.080 6.530 9.811 1.00 45.44 O ATOM 1034 CB ARG A 61 1.256 7.680 6.807 1.00 54.34 C ATOM 1035 CG ARG A 61 2.108 7.749 5.516 1.00 72.41 C ATOM 1036 CD ARG A 61 2.261 9.186 4.992 1.00 64.32 C ATOM 1037 NE ARG A 61 2.979 10.044 5.951 1.00 2.14 N ATOM 1038 CZ ARG A 61 2.939 11.385 5.986 1.00 61.52 C ATOM 1039 NH1 ARG A 61 2.210 12.074 5.118 1.00 14.21 N ATOM 1040 NH2 ARG A 61 3.648 12.033 6.894 1.00 31.15 N ATOM 0 H ARG A 61 -0.114 5.890 5.725 1.00 30.31 H new ATOM 0 HA ARG A 61 2.107 5.835 7.559 1.00 25.41 H new ATOM 0 HB2 ARG A 61 0.261 8.071 6.593 1.00 54.34 H new ATOM 0 HB3 ARG A 61 1.701 8.334 7.557 1.00 54.34 H new ATOM 0 HG2 ARG A 61 3.095 7.330 5.712 1.00 72.41 H new ATOM 0 HG3 ARG A 61 1.646 7.131 4.746 1.00 72.41 H new ATOM 0 HD2 ARG A 61 2.798 9.172 4.044 1.00 64.32 H new ATOM 0 HD3 ARG A 61 1.276 9.608 4.794 1.00 64.32 H new ATOM 0 HE ARG A 61 3.557 9.578 6.650 1.00 2.14 H new ATOM 0 HH11 ARG A 61 1.666 11.585 4.407 1.00 14.21 H new ATOM 0 HH12 ARG A 61 2.193 13.093 5.162 1.00 14.21 H new ATOM 0 HH21 ARG A 61 4.219 11.514 7.561 1.00 31.15 H new ATOM 0 HH22 ARG A 61 3.624 13.052 6.928 1.00 31.15 H new ATOM 1054 N ARG A 62 -0.906 6.108 8.815 1.00 60.45 N ATOM 1055 CA ARG A 62 -1.729 6.250 10.035 1.00 51.12 C ATOM 1056 C ARG A 62 -1.909 4.893 10.743 1.00 63.41 C ATOM 1057 O ARG A 62 -1.807 4.812 11.971 1.00 51.45 O ATOM 1058 CB ARG A 62 -3.105 6.860 9.663 1.00 15.52 C ATOM 1059 CG ARG A 62 -3.051 8.308 9.109 1.00 44.22 C ATOM 1060 CD ARG A 62 -4.387 8.763 8.491 1.00 10.13 C ATOM 1061 NE ARG A 62 -5.484 8.758 9.469 1.00 31.53 N ATOM 1062 CZ ARG A 62 -6.784 8.974 9.194 1.00 23.20 C ATOM 1063 NH1 ARG A 62 -7.205 9.216 7.956 1.00 3.12 N ATOM 1064 NH2 ARG A 62 -7.661 8.949 10.182 1.00 62.33 N ATOM 0 H ARG A 62 -1.441 5.834 7.991 1.00 60.45 H new ATOM 0 HA ARG A 62 -1.217 6.917 10.728 1.00 51.12 H new ATOM 0 HB2 ARG A 62 -3.580 6.220 8.920 1.00 15.52 H new ATOM 0 HB3 ARG A 62 -3.742 6.849 10.548 1.00 15.52 H new ATOM 0 HG2 ARG A 62 -2.778 8.990 9.914 1.00 44.22 H new ATOM 0 HG3 ARG A 62 -2.266 8.374 8.355 1.00 44.22 H new ATOM 0 HD2 ARG A 62 -4.272 9.767 8.082 1.00 10.13 H new ATOM 0 HD3 ARG A 62 -4.642 8.107 7.659 1.00 10.13 H new ATOM 0 HE ARG A 62 -5.239 8.575 10.442 1.00 31.53 H new ATOM 0 HH11 ARG A 62 -6.537 9.241 7.186 1.00 3.12 H new ATOM 0 HH12 ARG A 62 -8.196 9.376 7.777 1.00 3.12 H new ATOM 0 HH21 ARG A 62 -7.349 8.768 11.136 1.00 62.33 H new ATOM 0 HH22 ARG A 62 -8.650 9.111 9.991 1.00 62.33 H new ATOM 1078 N LYS A 63 -2.185 3.830 9.956 1.00 41.44 N ATOM 1079 CA LYS A 63 -2.390 2.459 10.492 1.00 53.22 C ATOM 1080 C LYS A 63 -1.046 1.790 10.813 1.00 23.45 C ATOM 1081 O LYS A 63 -0.920 1.090 11.824 1.00 34.33 O ATOM 1082 CB LYS A 63 -3.191 1.580 9.482 1.00 32.52 C ATOM 1083 CG LYS A 63 -4.625 2.077 9.190 1.00 33.50 C ATOM 1084 CD LYS A 63 -5.551 2.031 10.435 1.00 12.20 C ATOM 1085 CE LYS A 63 -7.022 2.330 10.095 1.00 23.14 C ATOM 1086 NZ LYS A 63 -7.551 1.390 9.073 1.00 64.32 N ATOM 0 H LYS A 63 -2.272 3.892 8.942 1.00 41.44 H new ATOM 0 HA LYS A 63 -2.966 2.547 11.413 1.00 53.22 H new ATOM 0 HB2 LYS A 63 -2.639 1.534 8.543 1.00 32.52 H new ATOM 0 HB3 LYS A 63 -3.245 0.563 9.870 1.00 32.52 H new ATOM 0 HG2 LYS A 63 -4.579 3.100 8.816 1.00 33.50 H new ATOM 0 HG3 LYS A 63 -5.060 1.467 8.398 1.00 33.50 H new ATOM 0 HD2 LYS A 63 -5.483 1.046 10.897 1.00 12.20 H new ATOM 0 HD3 LYS A 63 -5.199 2.754 11.171 1.00 12.20 H new ATOM 0 HE2 LYS A 63 -7.626 2.262 11.000 1.00 23.14 H new ATOM 0 HE3 LYS A 63 -7.110 3.353 9.729 1.00 23.14 H new ATOM 0 HZ1 LYS A 63 -8.572 1.256 9.220 1.00 64.32 H new ATOM 0 HZ2 LYS A 63 -7.386 1.781 8.123 1.00 64.32 H new ATOM 0 HZ3 LYS A 63 -7.066 0.474 9.159 1.00 64.32 H new ATOM 1100 N VAL A 64 -0.053 2.015 9.931 1.00 72.23 N ATOM 1101 CA VAL A 64 1.267 1.363 10.001 1.00 44.03 C ATOM 1102 C VAL A 64 2.353 2.379 10.431 1.00 34.44 C ATOM 1103 O VAL A 64 2.736 3.246 9.639 1.00 44.22 O ATOM 1104 CB VAL A 64 1.628 0.732 8.600 1.00 24.42 C ATOM 1105 CG1 VAL A 64 3.021 0.077 8.586 1.00 74.21 C ATOM 1106 CG2 VAL A 64 0.534 -0.255 8.153 1.00 52.10 C ATOM 0 H VAL A 64 -0.146 2.659 9.145 1.00 72.23 H new ATOM 0 HA VAL A 64 1.228 0.570 10.747 1.00 44.03 H new ATOM 0 HB VAL A 64 1.670 1.549 7.879 1.00 24.42 H new ATOM 0 HG11 VAL A 64 3.217 -0.340 7.598 1.00 74.21 H new ATOM 0 HG12 VAL A 64 3.778 0.826 8.820 1.00 74.21 H new ATOM 0 HG13 VAL A 64 3.056 -0.719 9.330 1.00 74.21 H new ATOM 0 HG21 VAL A 64 0.801 -0.680 7.185 1.00 52.10 H new ATOM 0 HG22 VAL A 64 0.443 -1.055 8.888 1.00 52.10 H new ATOM 0 HG23 VAL A 64 -0.418 0.270 8.069 1.00 52.10 H new ATOM 1116 N PRO A 65 2.845 2.315 11.708 1.00 14.15 N ATOM 1117 CA PRO A 65 3.995 3.131 12.166 1.00 31.24 C ATOM 1118 C PRO A 65 5.364 2.522 11.763 1.00 65.25 C ATOM 1119 O PRO A 65 6.411 3.106 12.062 1.00 54.42 O ATOM 1120 CB PRO A 65 3.794 3.153 13.701 1.00 30.33 C ATOM 1121 CG PRO A 65 3.183 1.815 14.011 1.00 33.35 C ATOM 1122 CD PRO A 65 2.295 1.482 12.821 1.00 54.51 C ATOM 0 HA PRO A 65 4.020 4.123 11.714 1.00 31.24 H new ATOM 0 HB2 PRO A 65 4.740 3.290 14.225 1.00 30.33 H new ATOM 0 HB3 PRO A 65 3.140 3.970 14.006 1.00 30.33 H new ATOM 0 HG2 PRO A 65 3.953 1.056 14.150 1.00 33.35 H new ATOM 0 HG3 PRO A 65 2.603 1.854 14.933 1.00 33.35 H new ATOM 0 HD2 PRO A 65 2.334 0.420 12.580 1.00 54.51 H new ATOM 0 HD3 PRO A 65 1.252 1.725 13.022 1.00 54.51 H new ATOM 1130 N ASN A 66 5.344 1.358 11.079 1.00 22.23 N ATOM 1131 CA ASN A 66 6.565 0.650 10.603 1.00 53.44 C ATOM 1132 C ASN A 66 6.675 0.726 9.062 1.00 34.43 C ATOM 1133 O ASN A 66 7.324 -0.116 8.427 1.00 51.45 O ATOM 1134 CB ASN A 66 6.507 -0.833 11.080 1.00 74.21 C ATOM 1135 CG ASN A 66 6.542 -0.969 12.605 1.00 32.35 C ATOM 1136 OD1 ASN A 66 7.607 -1.095 13.208 1.00 4.40 O ATOM 1137 ND2 ASN A 66 5.386 -0.928 13.238 1.00 32.02 N ATOM 0 H ASN A 66 4.478 0.876 10.837 1.00 22.23 H new ATOM 0 HA ASN A 66 7.450 1.131 11.020 1.00 53.44 H new ATOM 0 HB2 ASN A 66 5.597 -1.297 10.699 1.00 74.21 H new ATOM 0 HB3 ASN A 66 7.347 -1.380 10.652 1.00 74.21 H new ATOM 0 HD21 ASN A 66 5.359 -1.002 14.255 1.00 32.02 H new ATOM 0 HD22 ASN A 66 4.519 -0.823 12.711 1.00 32.02 H new ATOM 1144 N ALA A 67 6.065 1.761 8.472 1.00 12.24 N ATOM 1145 CA ALA A 67 5.941 1.896 7.012 1.00 53.43 C ATOM 1146 C ALA A 67 7.147 2.619 6.385 1.00 45.53 C ATOM 1147 O ALA A 67 7.372 3.808 6.644 1.00 34.12 O ATOM 1148 CB ALA A 67 4.642 2.637 6.671 1.00 61.15 C ATOM 0 H ALA A 67 5.643 2.530 8.992 1.00 12.24 H new ATOM 0 HA ALA A 67 5.917 0.892 6.589 1.00 53.43 H new ATOM 0 HB1 ALA A 67 4.553 2.736 5.589 1.00 61.15 H new ATOM 0 HB2 ALA A 67 3.791 2.075 7.056 1.00 61.15 H new ATOM 0 HB3 ALA A 67 4.658 3.628 7.126 1.00 61.15 H new ATOM 1154 N ARG A 68 7.935 1.884 5.586 1.00 51.31 N ATOM 1155 CA ARG A 68 8.906 2.479 4.662 1.00 41.12 C ATOM 1156 C ARG A 68 8.213 2.564 3.295 1.00 40.30 C ATOM 1157 O ARG A 68 8.085 1.557 2.602 1.00 4.54 O ATOM 1158 CB ARG A 68 10.192 1.608 4.586 1.00 72.33 C ATOM 1159 CG ARG A 68 11.336 2.204 3.734 1.00 55.23 C ATOM 1160 CD ARG A 68 11.924 3.490 4.344 1.00 71.51 C ATOM 1161 NE ARG A 68 12.398 3.276 5.727 1.00 71.12 N ATOM 1162 CZ ARG A 68 13.210 4.094 6.417 1.00 74.25 C ATOM 1163 NH1 ARG A 68 13.680 5.219 5.880 1.00 44.32 N ATOM 1164 NH2 ARG A 68 13.530 3.785 7.666 1.00 31.41 N ATOM 0 H ARG A 68 7.916 0.864 5.564 1.00 51.31 H new ATOM 0 HA ARG A 68 9.217 3.468 4.998 1.00 41.12 H new ATOM 0 HB2 ARG A 68 10.561 1.443 5.598 1.00 72.33 H new ATOM 0 HB3 ARG A 68 9.928 0.632 4.180 1.00 72.33 H new ATOM 0 HG2 ARG A 68 12.128 1.463 3.627 1.00 55.23 H new ATOM 0 HG3 ARG A 68 10.963 2.419 2.733 1.00 55.23 H new ATOM 0 HD2 ARG A 68 12.751 3.840 3.726 1.00 71.51 H new ATOM 0 HD3 ARG A 68 11.167 4.274 4.337 1.00 71.51 H new ATOM 0 HE ARG A 68 12.080 2.431 6.201 1.00 71.12 H new ATOM 0 HH11 ARG A 68 13.425 5.474 4.926 1.00 44.32 H new ATOM 0 HH12 ARG A 68 14.295 5.825 6.423 1.00 44.32 H new ATOM 0 HH21 ARG A 68 13.161 2.935 8.092 1.00 31.41 H new ATOM 0 HH22 ARG A 68 14.146 4.397 8.201 1.00 31.41 H new ATOM 1178 N VAL A 69 7.726 3.755 2.931 1.00 63.45 N ATOM 1179 CA VAL A 69 6.867 3.950 1.752 1.00 52.14 C ATOM 1180 C VAL A 69 7.536 4.917 0.776 1.00 62.31 C ATOM 1181 O VAL A 69 8.106 5.931 1.192 1.00 4.43 O ATOM 1182 CB VAL A 69 5.447 4.502 2.169 1.00 54.12 C ATOM 1183 CG1 VAL A 69 4.540 4.740 0.944 1.00 40.22 C ATOM 1184 CG2 VAL A 69 4.762 3.547 3.170 1.00 2.15 C ATOM 0 H VAL A 69 7.915 4.615 3.445 1.00 63.45 H new ATOM 0 HA VAL A 69 6.728 2.984 1.267 1.00 52.14 H new ATOM 0 HB VAL A 69 5.604 5.465 2.654 1.00 54.12 H new ATOM 0 HG11 VAL A 69 3.573 5.119 1.275 1.00 40.22 H new ATOM 0 HG12 VAL A 69 5.008 5.468 0.281 1.00 40.22 H new ATOM 0 HG13 VAL A 69 4.397 3.801 0.409 1.00 40.22 H new ATOM 0 HG21 VAL A 69 3.785 3.946 3.444 1.00 2.15 H new ATOM 0 HG22 VAL A 69 4.637 2.567 2.710 1.00 2.15 H new ATOM 0 HG23 VAL A 69 5.379 3.453 4.064 1.00 2.15 H new ATOM 1194 N ARG A 70 7.487 4.576 -0.516 1.00 55.54 N ATOM 1195 CA ARG A 70 7.909 5.451 -1.601 1.00 43.44 C ATOM 1196 C ARG A 70 6.857 5.369 -2.709 1.00 4.43 C ATOM 1197 O ARG A 70 6.679 4.321 -3.347 1.00 31.45 O ATOM 1198 CB ARG A 70 9.329 5.074 -2.117 1.00 13.35 C ATOM 1199 CG ARG A 70 9.805 5.824 -3.399 1.00 62.12 C ATOM 1200 CD ARG A 70 9.577 7.354 -3.368 1.00 61.10 C ATOM 1201 NE ARG A 70 10.153 8.005 -2.181 1.00 12.11 N ATOM 1202 CZ ARG A 70 9.520 8.910 -1.406 1.00 33.40 C ATOM 1203 NH1 ARG A 70 8.269 9.296 -1.674 1.00 45.40 N ATOM 1204 NH2 ARG A 70 10.155 9.448 -0.375 1.00 31.02 N ATOM 0 H ARG A 70 7.147 3.669 -0.836 1.00 55.54 H new ATOM 0 HA ARG A 70 7.984 6.479 -1.245 1.00 43.44 H new ATOM 0 HB2 ARG A 70 10.047 5.264 -1.320 1.00 13.35 H new ATOM 0 HB3 ARG A 70 9.350 4.003 -2.316 1.00 13.35 H new ATOM 0 HG2 ARG A 70 10.868 5.630 -3.545 1.00 62.12 H new ATOM 0 HG3 ARG A 70 9.284 5.409 -4.262 1.00 62.12 H new ATOM 0 HD2 ARG A 70 10.012 7.797 -4.264 1.00 61.10 H new ATOM 0 HD3 ARG A 70 8.506 7.555 -3.400 1.00 61.10 H new ATOM 0 HE ARG A 70 11.107 7.752 -1.923 1.00 12.11 H new ATOM 0 HH11 ARG A 70 7.776 8.905 -2.477 1.00 45.40 H new ATOM 0 HH12 ARG A 70 7.808 9.981 -1.076 1.00 45.40 H new ATOM 0 HH21 ARG A 70 11.117 9.177 -0.171 1.00 31.02 H new ATOM 0 HH22 ARG A 70 9.682 10.133 0.215 1.00 31.02 H new ATOM 1218 N GLU A 71 6.136 6.485 -2.884 1.00 73.24 N ATOM 1219 CA GLU A 71 5.150 6.657 -3.945 1.00 25.03 C ATOM 1220 C GLU A 71 5.916 7.026 -5.225 1.00 4.34 C ATOM 1221 O GLU A 71 6.470 8.124 -5.331 1.00 65.01 O ATOM 1222 CB GLU A 71 4.096 7.765 -3.601 1.00 71.44 C ATOM 1223 CG GLU A 71 3.526 7.727 -2.155 1.00 21.15 C ATOM 1224 CD GLU A 71 4.438 8.411 -1.110 1.00 42.03 C ATOM 1225 OE1 GLU A 71 4.410 9.655 -1.005 1.00 3.31 O ATOM 1226 OE2 GLU A 71 5.199 7.716 -0.407 1.00 1.14 O ATOM 0 H GLU A 71 6.227 7.302 -2.280 1.00 73.24 H new ATOM 0 HA GLU A 71 4.589 5.731 -4.072 1.00 25.03 H new ATOM 0 HB2 GLU A 71 4.554 8.740 -3.766 1.00 71.44 H new ATOM 0 HB3 GLU A 71 3.265 7.681 -4.302 1.00 71.44 H new ATOM 0 HG2 GLU A 71 2.550 8.212 -2.146 1.00 21.15 H new ATOM 0 HG3 GLU A 71 3.369 6.689 -1.863 1.00 21.15 H new ATOM 1233 N THR A 72 5.981 6.080 -6.159 1.00 41.23 N ATOM 1234 CA THR A 72 6.614 6.268 -7.459 1.00 41.11 C ATOM 1235 C THR A 72 5.510 6.522 -8.492 1.00 62.52 C ATOM 1236 O THR A 72 4.694 5.636 -8.781 1.00 13.04 O ATOM 1237 CB THR A 72 7.448 4.992 -7.832 1.00 3.32 C ATOM 1238 OG1 THR A 72 6.620 3.814 -7.734 1.00 42.23 O ATOM 1239 CG2 THR A 72 8.667 4.815 -6.905 1.00 34.03 C ATOM 0 H THR A 72 5.589 5.147 -6.030 1.00 41.23 H new ATOM 0 HA THR A 72 7.296 7.118 -7.437 1.00 41.11 H new ATOM 0 HB THR A 72 7.802 5.125 -8.854 1.00 3.32 H new ATOM 0 HG1 THR A 72 6.888 3.290 -6.950 1.00 42.23 H new ATOM 0 HG21 THR A 72 9.218 3.921 -7.196 1.00 34.03 H new ATOM 0 HG22 THR A 72 9.317 5.686 -6.989 1.00 34.03 H new ATOM 0 HG23 THR A 72 8.328 4.713 -5.874 1.00 34.03 H new ATOM 1247 N GLU A 73 5.462 7.753 -9.015 1.00 65.04 N ATOM 1248 CA GLU A 73 4.444 8.165 -9.983 1.00 20.20 C ATOM 1249 C GLU A 73 4.957 7.824 -11.399 1.00 23.14 C ATOM 1250 O GLU A 73 5.805 8.526 -11.966 1.00 31.31 O ATOM 1251 CB GLU A 73 4.148 9.676 -9.809 1.00 43.01 C ATOM 1252 CG GLU A 73 2.956 10.209 -10.632 1.00 11.21 C ATOM 1253 CD GLU A 73 2.816 11.733 -10.514 1.00 10.14 C ATOM 1254 OE1 GLU A 73 3.671 12.452 -11.078 1.00 51.35 O ATOM 1255 OE2 GLU A 73 1.890 12.228 -9.841 1.00 70.33 O ATOM 0 H GLU A 73 6.127 8.489 -8.778 1.00 65.04 H new ATOM 0 HA GLU A 73 3.506 7.635 -9.822 1.00 20.20 H new ATOM 0 HB2 GLU A 73 3.959 9.874 -8.754 1.00 43.01 H new ATOM 0 HB3 GLU A 73 5.040 10.239 -10.084 1.00 43.01 H new ATOM 0 HG2 GLU A 73 3.087 9.936 -11.679 1.00 11.21 H new ATOM 0 HG3 GLU A 73 2.037 9.732 -10.291 1.00 11.21 H new ATOM 1262 N THR A 74 4.464 6.704 -11.926 1.00 14.14 N ATOM 1263 CA THR A 74 4.874 6.161 -13.218 1.00 61.13 C ATOM 1264 C THR A 74 4.164 6.902 -14.374 1.00 74.31 C ATOM 1265 O THR A 74 2.980 6.675 -14.652 1.00 70.55 O ATOM 1266 CB THR A 74 4.576 4.624 -13.261 1.00 74.31 C ATOM 1267 OG1 THR A 74 3.200 4.383 -12.905 1.00 45.30 O ATOM 1268 CG2 THR A 74 5.492 3.830 -12.305 1.00 74.40 C ATOM 0 H THR A 74 3.756 6.139 -11.458 1.00 14.14 H new ATOM 0 HA THR A 74 5.946 6.311 -13.344 1.00 61.13 H new ATOM 0 HB THR A 74 4.770 4.283 -14.278 1.00 74.31 H new ATOM 0 HG1 THR A 74 3.018 3.420 -12.935 1.00 45.30 H new ATOM 0 HG21 THR A 74 5.251 2.769 -12.367 1.00 74.40 H new ATOM 0 HG22 THR A 74 6.533 3.982 -12.589 1.00 74.40 H new ATOM 0 HG23 THR A 74 5.340 4.177 -11.283 1.00 74.40 H new ATOM 1276 N GLY A 75 4.903 7.827 -14.992 1.00 14.10 N ATOM 1277 CA GLY A 75 4.445 8.573 -16.163 1.00 20.00 C ATOM 1278 C GLY A 75 5.563 9.470 -16.663 1.00 61.01 C ATOM 1279 O GLY A 75 6.386 9.052 -17.485 1.00 4.21 O ATOM 0 H GLY A 75 5.844 8.080 -14.690 1.00 14.10 H new ATOM 0 HA2 GLY A 75 4.139 7.883 -16.950 1.00 20.00 H new ATOM 0 HA3 GLY A 75 3.571 9.172 -15.907 1.00 20.00 H new ATOM 1283 N SER A 76 5.617 10.695 -16.133 1.00 30.11 N ATOM 1284 CA SER A 76 6.759 11.596 -16.312 1.00 62.02 C ATOM 1285 C SER A 76 7.828 11.279 -15.240 1.00 51.40 C ATOM 1286 O SER A 76 7.781 11.803 -14.122 1.00 52.43 O ATOM 1287 CB SER A 76 6.283 13.068 -16.229 1.00 51.20 C ATOM 1288 OG SER A 76 5.487 13.302 -15.080 1.00 33.13 O ATOM 0 H SER A 76 4.867 11.091 -15.566 1.00 30.11 H new ATOM 0 HA SER A 76 7.206 11.448 -17.295 1.00 62.02 H new ATOM 0 HB2 SER A 76 7.149 13.729 -16.211 1.00 51.20 H new ATOM 0 HB3 SER A 76 5.711 13.316 -17.123 1.00 51.20 H new ATOM 0 HG SER A 76 5.926 12.916 -14.294 1.00 33.13 H new ATOM 1294 N LEU A 77 8.745 10.353 -15.576 1.00 13.44 N ATOM 1295 CA LEU A 77 9.878 9.975 -14.691 1.00 1.13 C ATOM 1296 C LEU A 77 11.150 9.700 -15.528 1.00 42.43 C ATOM 1297 O LEU A 77 12.091 9.027 -15.069 1.00 22.14 O ATOM 1298 CB LEU A 77 9.504 8.753 -13.773 1.00 23.52 C ATOM 1299 CG LEU A 77 9.413 7.314 -14.419 1.00 64.44 C ATOM 1300 CD1 LEU A 77 9.238 6.224 -13.329 1.00 54.41 C ATOM 1301 CD2 LEU A 77 8.287 7.204 -15.472 1.00 43.05 C ATOM 0 H LEU A 77 8.728 9.845 -16.460 1.00 13.44 H new ATOM 0 HA LEU A 77 10.091 10.814 -14.028 1.00 1.13 H new ATOM 0 HB2 LEU A 77 10.238 8.708 -12.969 1.00 23.52 H new ATOM 0 HB3 LEU A 77 8.540 8.969 -13.312 1.00 23.52 H new ATOM 0 HG LEU A 77 10.358 7.149 -14.937 1.00 64.44 H new ATOM 0 HD11 LEU A 77 9.178 5.243 -13.801 1.00 54.41 H new ATOM 0 HD12 LEU A 77 10.090 6.248 -12.650 1.00 54.41 H new ATOM 0 HD13 LEU A 77 8.322 6.413 -12.769 1.00 54.41 H new ATOM 0 HD21 LEU A 77 8.270 6.195 -15.883 1.00 43.05 H new ATOM 0 HD22 LEU A 77 7.327 7.421 -15.003 1.00 43.05 H new ATOM 0 HD23 LEU A 77 8.468 7.919 -16.274 1.00 43.05 H new ATOM 1313 N GLU A 78 11.186 10.296 -16.737 1.00 15.30 N ATOM 1314 CA GLU A 78 12.320 10.170 -17.679 1.00 1.01 C ATOM 1315 C GLU A 78 13.537 10.981 -17.168 1.00 73.31 C ATOM 1316 O GLU A 78 13.371 11.979 -16.449 1.00 43.42 O ATOM 1317 CB GLU A 78 11.898 10.645 -19.101 1.00 11.31 C ATOM 1318 CG GLU A 78 11.506 12.137 -19.195 1.00 11.51 C ATOM 1319 CD GLU A 78 10.996 12.540 -20.590 1.00 22.02 C ATOM 1320 OE1 GLU A 78 11.821 12.795 -21.487 1.00 31.04 O ATOM 1321 OE2 GLU A 78 9.769 12.618 -20.796 1.00 72.32 O ATOM 0 H GLU A 78 10.428 10.880 -17.090 1.00 15.30 H new ATOM 0 HA GLU A 78 12.609 9.121 -17.740 1.00 1.01 H new ATOM 0 HB2 GLU A 78 12.720 10.455 -19.791 1.00 11.31 H new ATOM 0 HB3 GLU A 78 11.055 10.040 -19.436 1.00 11.31 H new ATOM 0 HG2 GLU A 78 10.733 12.351 -18.456 1.00 11.51 H new ATOM 0 HG3 GLU A 78 12.370 12.750 -18.939 1.00 11.51 H new ATOM 1328 N HIS A 79 14.753 10.536 -17.546 1.00 50.33 N ATOM 1329 CA HIS A 79 16.024 11.154 -17.109 1.00 22.34 C ATOM 1330 C HIS A 79 16.485 12.168 -18.175 1.00 1.31 C ATOM 1331 O HIS A 79 16.749 11.785 -19.320 1.00 52.50 O ATOM 1332 CB HIS A 79 17.102 10.054 -16.865 1.00 41.10 C ATOM 1333 CG HIS A 79 16.703 9.011 -15.845 1.00 20.22 C ATOM 1334 ND1 HIS A 79 17.244 8.942 -14.580 1.00 3.15 N ATOM 1335 CD2 HIS A 79 15.816 7.985 -15.915 1.00 4.42 C ATOM 1336 CE1 HIS A 79 16.711 7.926 -13.929 1.00 43.42 C ATOM 1337 NE2 HIS A 79 15.846 7.330 -14.716 1.00 70.40 N ATOM 0 H HIS A 79 14.882 9.736 -18.165 1.00 50.33 H new ATOM 0 HA HIS A 79 15.875 11.682 -16.167 1.00 22.34 H new ATOM 0 HB2 HIS A 79 17.319 9.557 -17.811 1.00 41.10 H new ATOM 0 HB3 HIS A 79 18.025 10.532 -16.537 1.00 41.10 H new ATOM 0 HD2 HIS A 79 15.199 7.732 -16.764 1.00 4.42 H new ATOM 0 HE1 HIS A 79 16.947 7.633 -12.917 1.00 43.42 H new ATOM 0 HE2 HIS A 79 15.288 6.512 -14.473 1.00 70.40 H new ATOM 1346 N HIS A 80 16.556 13.449 -17.761 1.00 12.20 N ATOM 1347 CA HIS A 80 16.843 14.634 -18.602 1.00 4.53 C ATOM 1348 C HIS A 80 16.002 14.651 -19.911 1.00 33.41 C ATOM 1349 O HIS A 80 16.375 14.054 -20.927 1.00 34.11 O ATOM 1350 CB HIS A 80 18.380 14.880 -18.843 1.00 15.42 C ATOM 1351 CG HIS A 80 19.084 13.991 -19.856 1.00 44.22 C ATOM 1352 ND1 HIS A 80 19.204 14.339 -21.192 1.00 12.13 N ATOM 1353 CD2 HIS A 80 19.736 12.809 -19.730 1.00 41.20 C ATOM 1354 CE1 HIS A 80 19.881 13.410 -21.832 1.00 50.45 C ATOM 1355 NE2 HIS A 80 20.220 12.474 -20.968 1.00 11.25 N ATOM 0 H HIS A 80 16.408 13.700 -16.784 1.00 12.20 H new ATOM 0 HA HIS A 80 16.514 15.496 -18.021 1.00 4.53 H new ATOM 0 HB2 HIS A 80 18.509 15.916 -19.157 1.00 15.42 H new ATOM 0 HB3 HIS A 80 18.892 14.771 -17.887 1.00 15.42 H new ATOM 0 HD2 HIS A 80 19.853 12.237 -18.822 1.00 41.20 H new ATOM 0 HE1 HIS A 80 20.118 13.414 -22.886 1.00 50.45 H new ATOM 0 HE2 HIS A 80 20.757 11.634 -21.186 1.00 11.25 H new ATOM 1364 N HIS A 81 14.820 15.292 -19.837 1.00 52.25 N ATOM 1365 CA HIS A 81 13.918 15.465 -20.986 1.00 32.04 C ATOM 1366 C HIS A 81 14.618 16.285 -22.080 1.00 23.43 C ATOM 1367 O HIS A 81 15.164 17.365 -21.800 1.00 63.53 O ATOM 1368 CB HIS A 81 12.601 16.152 -20.536 1.00 24.33 C ATOM 1369 CG HIS A 81 11.637 16.464 -21.658 1.00 74.50 C ATOM 1370 ND1 HIS A 81 10.720 15.557 -22.137 1.00 54.55 N ATOM 1371 CD2 HIS A 81 11.463 17.588 -22.396 1.00 54.23 C ATOM 1372 CE1 HIS A 81 10.032 16.108 -23.109 1.00 74.22 C ATOM 1373 NE2 HIS A 81 10.463 17.337 -23.286 1.00 65.51 N ATOM 0 H HIS A 81 14.465 15.705 -18.975 1.00 52.25 H new ATOM 0 HA HIS A 81 13.667 14.486 -21.395 1.00 32.04 H new ATOM 0 HB2 HIS A 81 12.100 15.508 -19.813 1.00 24.33 H new ATOM 0 HB3 HIS A 81 12.849 17.079 -20.019 1.00 24.33 H new ATOM 0 HD2 HIS A 81 12.015 18.511 -22.297 1.00 54.23 H new ATOM 0 HE1 HIS A 81 9.242 15.631 -23.671 1.00 74.22 H new ATOM 0 HE2 HIS A 81 10.106 17.996 -23.978 1.00 65.51 H new ATOM 1382 N HIS A 82 14.602 15.753 -23.309 1.00 4.34 N ATOM 1383 CA HIS A 82 15.231 16.395 -24.466 1.00 33.20 C ATOM 1384 C HIS A 82 14.379 17.581 -24.939 1.00 51.33 C ATOM 1385 O HIS A 82 13.423 17.416 -25.705 1.00 32.43 O ATOM 1386 CB HIS A 82 15.452 15.374 -25.614 1.00 74.44 C ATOM 1387 CG HIS A 82 16.463 14.295 -25.306 1.00 73.34 C ATOM 1388 ND1 HIS A 82 17.681 14.204 -25.943 1.00 33.13 N ATOM 1389 CD2 HIS A 82 16.417 13.246 -24.453 1.00 21.03 C ATOM 1390 CE1 HIS A 82 18.329 13.151 -25.500 1.00 32.12 C ATOM 1391 NE2 HIS A 82 17.586 12.545 -24.600 1.00 51.41 N ATOM 0 H HIS A 82 14.152 14.864 -23.527 1.00 4.34 H new ATOM 0 HA HIS A 82 16.209 16.771 -24.166 1.00 33.20 H new ATOM 0 HB2 HIS A 82 14.498 14.903 -25.853 1.00 74.44 H new ATOM 0 HB3 HIS A 82 15.774 15.913 -26.505 1.00 74.44 H new ATOM 0 HD2 HIS A 82 15.608 13.005 -23.780 1.00 21.03 H new ATOM 0 HE1 HIS A 82 19.310 12.835 -25.822 1.00 32.12 H new ATOM 0 HE2 HIS A 82 17.838 11.695 -24.095 1.00 51.41 H new ATOM 1400 N HIS A 83 14.700 18.768 -24.402 1.00 51.40 N ATOM 1401 CA HIS A 83 14.141 20.049 -24.875 1.00 32.31 C ATOM 1402 C HIS A 83 14.777 20.403 -26.234 1.00 53.50 C ATOM 1403 O HIS A 83 14.214 21.172 -27.019 1.00 13.45 O ATOM 1404 CB HIS A 83 14.385 21.169 -23.824 1.00 74.53 C ATOM 1405 CG HIS A 83 13.720 22.491 -24.134 1.00 24.32 C ATOM 1406 ND1 HIS A 83 12.427 22.791 -23.759 1.00 61.33 N ATOM 1407 CD2 HIS A 83 14.179 23.596 -24.770 1.00 51.14 C ATOM 1408 CE1 HIS A 83 12.130 24.010 -24.152 1.00 44.51 C ATOM 1409 NE2 HIS A 83 13.174 24.518 -24.763 1.00 64.15 N ATOM 0 H HIS A 83 15.355 18.869 -23.627 1.00 51.40 H new ATOM 0 HA HIS A 83 13.063 19.956 -25.006 1.00 32.31 H new ATOM 0 HB2 HIS A 83 14.031 20.820 -22.854 1.00 74.53 H new ATOM 0 HB3 HIS A 83 15.459 21.332 -23.732 1.00 74.53 H new ATOM 0 HD2 HIS A 83 15.160 23.723 -25.203 1.00 51.14 H new ATOM 0 HE1 HIS A 83 11.185 24.509 -23.998 1.00 44.51 H new ATOM 0 HE2 HIS A 83 13.226 25.453 -25.168 1.00 64.15 H new ATOM 1418 N HIS A 84 15.981 19.844 -26.477 1.00 24.50 N ATOM 1419 CA HIS A 84 16.661 19.871 -27.781 1.00 63.14 C ATOM 1420 C HIS A 84 17.051 18.421 -28.155 1.00 73.14 C ATOM 1421 O HIS A 84 16.391 17.826 -29.037 1.00 11.51 O ATOM 1422 CB HIS A 84 17.901 20.808 -27.755 1.00 44.02 C ATOM 1423 CG HIS A 84 17.552 22.263 -27.617 1.00 35.21 C ATOM 1424 ND1 HIS A 84 17.245 23.062 -28.694 1.00 15.25 N ATOM 1425 CD2 HIS A 84 17.438 23.054 -26.526 1.00 52.05 C ATOM 1426 CE1 HIS A 84 16.957 24.274 -28.275 1.00 54.35 C ATOM 1427 NE2 HIS A 84 17.064 24.297 -26.964 1.00 72.03 N ATOM 1428 OXT HIS A 84 17.981 17.861 -27.533 1.00 38.34 O ATOM 0 H HIS A 84 16.513 19.354 -25.758 1.00 24.50 H new ATOM 0 HA HIS A 84 15.989 20.275 -28.538 1.00 63.14 H new ATOM 0 HB2 HIS A 84 18.548 20.518 -26.927 1.00 44.02 H new ATOM 0 HB3 HIS A 84 18.473 20.665 -28.672 1.00 44.02 H new ATOM 0 HD2 HIS A 84 17.610 22.761 -25.501 1.00 52.05 H new ATOM 0 HE1 HIS A 84 16.680 25.109 -28.901 1.00 54.35 H new ATOM 0 HE2 HIS A 84 16.896 25.109 -26.370 1.00 72.03 H new TER 1437 HIS A 84