USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 815 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 28 THR OG1 : rot 73:sc= -0.249! USER MOD Set 1.2: A 100 ASN : amide:sc= 0.773 K(o=0.52,f=-1.3) USER MOD Set 2.1: A 86 TYR OH : rot -99:sc= 0.204 USER MOD Set 2.2: A 90 HIS : no HD1:sc= 0.184 X(o=0.39,f=0) USER MOD Set 3.1: A 44 SER OG : rot 40:sc= -0.372 USER MOD Set 3.2: A 58 HIS : no HE2:sc= -1.63 K(o=-2,f=-3.4!) USER MOD Set 4.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 36 THR OG1 : rot 180:sc= 0.0128 USER MOD Set 4.3: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -75:sc= 0.726 USER MOD Single : A 15 SER OG : rot 96:sc= 1.22 USER MOD Single : A 21 ASN : amide:sc= 1.93 K(o=1.9,f=-1.3) USER MOD Single : A 24 ASN : amide:sc= 0.368 K(o=0.37,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= -0.0384 (180deg=-0.271) USER MOD Single : A 41 TYR OH : rot -123:sc= 0.177 USER MOD Single : A 42 CYS SG : rot -8:sc= -0.0261 USER MOD Single : A 46 SER OG : rot 119:sc= 0.0061 USER MOD Single : A 50 ASN : amide:sc=-0.00666 X(o=-0.0067,f=-0.063) USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= 1.12 (180deg=0.697) USER MOD Single : A 55 ASN : amide:sc= -0.757 K(o=-0.76,f=-2.8!) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc=-0.00139 (180deg=-0.0314) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.315 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc=-0.00286 (180deg=-0.0832) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.52 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0498 USER MOD Single : A 73 SER OG : rot -45:sc= 0.66 USER MOD Single : A 75 THR OG1 : rot 171:sc= 0.0101 USER MOD Single : A 76 GLN : amide:sc= -0.735 K(o=-0.73,f=-4.2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0354 X(o=-0.035,f=-0.14) USER MOD Single : A 82 GLN : amide:sc= -0.674 K(o=-0.67,f=0) USER MOD Single : A 87 TYR OH : rot 36:sc= 1.2 USER MOD Single : A 88 SER OG : rot 47:sc= 1.17 USER MOD Single : A 89 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0339) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.654 X(o=-0.65,f=-0.79) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -40:sc= 0.0763 USER MOD Single : A 104 THR OG1 : rot 42:sc= 0.00395 USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 5.689 -3.031 -12.515 1.00 0.00 N ATOM 31 CA GLU A 3 4.501 -2.364 -11.994 1.00 0.00 C ATOM 32 C GLU A 3 4.851 -1.616 -10.714 1.00 0.00 C ATOM 33 O GLU A 3 5.267 -2.208 -9.719 1.00 0.00 O ATOM 34 CB GLU A 3 3.377 -3.372 -11.735 1.00 0.00 C ATOM 35 CG GLU A 3 3.002 -4.196 -12.958 1.00 0.00 C ATOM 36 CD GLU A 3 2.675 -3.344 -14.171 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.615 -2.936 -14.885 1.00 0.00 O ATOM 38 OE2 GLU A 3 1.482 -3.088 -14.430 1.00 0.00 O ATOM 0 HA GLU A 3 4.147 -1.651 -12.739 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.682 -4.045 -10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.495 -2.837 -11.384 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.825 -4.867 -13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.142 -4.821 -12.718 1.00 0.00 H new ATOM 45 N GLU A 4 4.670 -0.301 -10.779 1.00 0.00 N ATOM 46 CA GLU A 4 5.154 0.631 -9.764 1.00 0.00 C ATOM 47 C GLU A 4 4.666 0.279 -8.366 1.00 0.00 C ATOM 48 O GLU A 4 5.435 0.312 -7.412 1.00 0.00 O ATOM 49 CB GLU A 4 4.698 2.045 -10.120 1.00 0.00 C ATOM 50 CG GLU A 4 5.203 2.526 -11.469 1.00 0.00 C ATOM 51 CD GLU A 4 4.359 3.646 -12.030 1.00 0.00 C ATOM 52 OE1 GLU A 4 3.379 3.350 -12.744 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.660 4.826 -11.757 1.00 0.00 O ATOM 0 H GLU A 4 4.177 0.154 -11.547 1.00 0.00 H new ATOM 0 HA GLU A 4 6.242 0.567 -9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.609 2.078 -10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.040 2.733 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.234 2.866 -11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.209 1.692 -12.171 1.00 0.00 H new ATOM 60 N TRP A 5 3.391 -0.058 -8.260 1.00 0.00 N ATOM 61 CA TRP A 5 2.761 -0.292 -6.966 1.00 0.00 C ATOM 62 C TRP A 5 3.140 -1.650 -6.371 1.00 0.00 C ATOM 63 O TRP A 5 3.358 -1.766 -5.163 1.00 0.00 O ATOM 64 CB TRP A 5 1.234 -0.161 -7.093 1.00 0.00 C ATOM 65 CG TRP A 5 0.677 -0.742 -8.365 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.629 -0.134 -9.588 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.080 -2.034 -8.538 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.056 -0.973 -10.510 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.298 -2.141 -9.892 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.174 -3.108 -7.686 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.906 -3.282 -10.407 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.780 -4.238 -8.199 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.142 -4.316 -9.547 1.00 0.00 C ATOM 0 H TRP A 5 2.767 -0.177 -9.058 1.00 0.00 H new ATOM 0 HA TRP A 5 3.132 0.468 -6.278 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.765 -0.656 -6.243 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.963 0.893 -7.037 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.990 0.862 -9.798 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -0.084 -0.760 -11.498 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.099 -3.057 -6.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.181 -3.347 -11.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.978 -5.076 -7.547 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.618 -5.213 -9.916 1.00 0.00 H new ATOM 84 N TYR A 6 3.238 -2.667 -7.215 1.00 0.00 N ATOM 85 CA TYR A 6 3.459 -4.030 -6.745 1.00 0.00 C ATOM 86 C TYR A 6 4.948 -4.312 -6.561 1.00 0.00 C ATOM 87 O TYR A 6 5.688 -4.466 -7.533 1.00 0.00 O ATOM 88 CB TYR A 6 2.849 -5.030 -7.732 1.00 0.00 C ATOM 89 CG TYR A 6 2.707 -6.435 -7.181 1.00 0.00 C ATOM 90 CD1 TYR A 6 1.701 -6.743 -6.273 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.570 -7.451 -7.574 1.00 0.00 C ATOM 92 CE1 TYR A 6 1.559 -8.023 -5.771 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.433 -8.734 -7.075 1.00 0.00 C ATOM 94 CZ TYR A 6 2.428 -9.016 -6.175 1.00 0.00 C ATOM 95 OH TYR A 6 2.290 -10.295 -5.677 1.00 0.00 O ATOM 0 H TYR A 6 3.168 -2.576 -8.229 1.00 0.00 H new ATOM 0 HA TYR A 6 2.972 -4.141 -5.776 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.866 -4.670 -8.037 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.469 -5.064 -8.628 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.019 -5.969 -5.954 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.359 -7.236 -8.279 1.00 0.00 H new ATOM 0 HE1 TYR A 6 0.772 -8.245 -5.066 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.112 -9.513 -7.390 1.00 0.00 H new ATOM 0 HH TYR A 6 2.981 -10.873 -6.064 1.00 0.00 H new ATOM 105 N PHE A 7 5.379 -4.387 -5.311 1.00 0.00 N ATOM 106 CA PHE A 7 6.780 -4.657 -4.996 1.00 0.00 C ATOM 107 C PHE A 7 7.003 -6.129 -4.677 1.00 0.00 C ATOM 108 O PHE A 7 8.040 -6.508 -4.135 1.00 0.00 O ATOM 109 CB PHE A 7 7.240 -3.795 -3.821 1.00 0.00 C ATOM 110 CG PHE A 7 7.667 -2.411 -4.216 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.730 -1.422 -4.467 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.012 -2.101 -4.331 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.130 -0.147 -4.824 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.416 -0.830 -4.690 1.00 0.00 C ATOM 115 CZ PHE A 7 8.473 0.148 -4.937 1.00 0.00 C ATOM 0 H PHE A 7 4.780 -4.265 -4.494 1.00 0.00 H new ATOM 0 HA PHE A 7 7.371 -4.405 -5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.429 -3.722 -3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.071 -4.293 -3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.677 -1.649 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.754 -2.862 -4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.391 0.617 -5.014 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.468 -0.601 -4.777 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.786 1.143 -5.218 1.00 0.00 H new ATOM 125 N GLY A 8 6.024 -6.955 -5.012 1.00 0.00 N ATOM 126 CA GLY A 8 6.144 -8.377 -4.764 1.00 0.00 C ATOM 127 C GLY A 8 5.912 -8.714 -3.307 1.00 0.00 C ATOM 128 O GLY A 8 5.082 -8.092 -2.654 1.00 0.00 O ATOM 0 H GLY A 8 5.149 -6.667 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.425 -8.916 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.136 -8.716 -5.062 1.00 0.00 H new ATOM 132 N LYS A 9 6.651 -9.684 -2.797 1.00 0.00 N ATOM 133 CA LYS A 9 6.499 -10.115 -1.414 1.00 0.00 C ATOM 134 C LYS A 9 7.719 -9.738 -0.580 1.00 0.00 C ATOM 135 O LYS A 9 8.310 -10.578 0.100 1.00 0.00 O ATOM 136 CB LYS A 9 6.239 -11.624 -1.362 1.00 0.00 C ATOM 137 CG LYS A 9 7.189 -12.443 -2.216 1.00 0.00 C ATOM 138 CD LYS A 9 6.691 -13.865 -2.381 1.00 0.00 C ATOM 139 CE LYS A 9 7.453 -14.586 -3.474 1.00 0.00 C ATOM 140 NZ LYS A 9 6.860 -15.912 -3.790 1.00 0.00 N ATOM 0 H LYS A 9 7.365 -10.191 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 9 5.641 -9.599 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.315 -11.960 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.216 -11.818 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.296 -11.976 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.178 -12.452 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.802 -14.404 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.628 -13.856 -2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.464 -13.971 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.490 -14.718 -3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.413 -16.369 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.873 -16.510 -2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.878 -15.786 -4.110 1.00 0.00 H new ATOM 154 N ILE A 10 8.096 -8.464 -0.652 1.00 0.00 N ATOM 155 CA ILE A 10 9.180 -7.939 0.172 1.00 0.00 C ATOM 156 C ILE A 10 8.823 -8.067 1.650 1.00 0.00 C ATOM 157 O ILE A 10 7.650 -7.966 2.025 1.00 0.00 O ATOM 158 CB ILE A 10 9.476 -6.454 -0.147 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.213 -5.601 0.015 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.038 -6.310 -1.552 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.445 -4.118 -0.186 1.00 0.00 C ATOM 0 H ILE A 10 7.667 -7.777 -1.272 1.00 0.00 H new ATOM 0 HA ILE A 10 10.071 -8.525 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 10 10.223 -6.097 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.462 -5.941 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.802 -5.763 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.240 -5.259 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.964 -6.880 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.314 -6.688 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.505 -3.582 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.171 -3.761 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.826 -3.942 -1.192 1.00 0.00 H new ATOM 173 N THR A 11 9.823 -8.287 2.488 1.00 0.00 N ATOM 174 CA THR A 11 9.579 -8.479 3.904 1.00 0.00 C ATOM 175 C THR A 11 9.566 -7.140 4.632 1.00 0.00 C ATOM 176 O THR A 11 9.684 -6.088 4.001 1.00 0.00 O ATOM 177 CB THR A 11 10.613 -9.427 4.553 1.00 0.00 C ATOM 178 OG1 THR A 11 11.908 -8.816 4.600 1.00 0.00 O ATOM 179 CG2 THR A 11 10.699 -10.740 3.786 1.00 0.00 C ATOM 0 H THR A 11 10.804 -8.336 2.213 1.00 0.00 H new ATOM 0 HA THR A 11 8.600 -8.949 3.998 1.00 0.00 H new ATOM 0 HB THR A 11 10.280 -9.630 5.571 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.303 -8.818 3.703 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.433 -11.391 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.724 -11.228 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.001 -10.542 2.758 1.00 0.00 H new ATOM 187 N ARG A 12 9.435 -7.179 5.946 1.00 0.00 N ATOM 188 CA ARG A 12 9.303 -5.967 6.742 1.00 0.00 C ATOM 189 C ARG A 12 10.559 -5.109 6.630 1.00 0.00 C ATOM 190 O ARG A 12 10.483 -3.880 6.542 1.00 0.00 O ATOM 191 CB ARG A 12 9.034 -6.314 8.213 1.00 0.00 C ATOM 192 CG ARG A 12 7.638 -6.871 8.489 1.00 0.00 C ATOM 193 CD ARG A 12 7.395 -8.213 7.809 1.00 0.00 C ATOM 194 NE ARG A 12 8.407 -9.208 8.168 1.00 0.00 N ATOM 195 CZ ARG A 12 8.619 -10.341 7.499 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.877 -10.640 6.434 1.00 0.00 N ATOM 197 NH2 ARG A 12 9.577 -11.172 7.893 1.00 0.00 N ATOM 0 H ARG A 12 9.417 -8.042 6.489 1.00 0.00 H new ATOM 0 HA ARG A 12 8.457 -5.399 6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.774 -7.044 8.542 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.180 -5.418 8.817 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.502 -6.984 9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.891 -6.154 8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.409 -8.585 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.392 -8.075 6.728 1.00 0.00 H new ATOM 0 HE ARG A 12 8.989 -9.022 8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.143 -10.001 6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.042 -11.508 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.149 -10.943 8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.741 -12.040 7.383 1.00 0.00 H new ATOM 211 N ARG A 13 11.709 -5.773 6.622 1.00 0.00 N ATOM 212 CA ARG A 13 12.996 -5.092 6.541 1.00 0.00 C ATOM 213 C ARG A 13 13.062 -4.172 5.323 1.00 0.00 C ATOM 214 O ARG A 13 13.449 -3.013 5.437 1.00 0.00 O ATOM 215 CB ARG A 13 14.134 -6.113 6.470 1.00 0.00 C ATOM 216 CG ARG A 13 15.516 -5.481 6.482 1.00 0.00 C ATOM 217 CD ARG A 13 16.581 -6.466 6.030 1.00 0.00 C ATOM 218 NE ARG A 13 16.406 -6.849 4.629 1.00 0.00 N ATOM 219 CZ ARG A 13 17.404 -7.031 3.771 1.00 0.00 C ATOM 220 NH1 ARG A 13 18.662 -6.857 4.159 1.00 0.00 N ATOM 221 NH2 ARG A 13 17.141 -7.381 2.520 1.00 0.00 N ATOM 0 H ARG A 13 11.776 -6.790 6.671 1.00 0.00 H new ATOM 0 HA ARG A 13 13.105 -4.485 7.440 1.00 0.00 H new ATOM 0 HB2 ARG A 13 14.049 -6.799 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.023 -6.707 5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.524 -4.609 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.748 -5.128 7.487 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.567 -6.022 6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.543 -7.356 6.658 1.00 0.00 H new ATOM 0 HE ARG A 13 15.454 -6.985 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.866 -6.582 5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.424 -6.998 3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.175 -7.510 2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.905 -7.522 1.858 1.00 0.00 H new ATOM 235 N GLU A 14 12.673 -4.694 4.166 1.00 0.00 N ATOM 236 CA GLU A 14 12.758 -3.945 2.918 1.00 0.00 C ATOM 237 C GLU A 14 11.802 -2.755 2.912 1.00 0.00 C ATOM 238 O GLU A 14 12.223 -1.615 2.712 1.00 0.00 O ATOM 239 CB GLU A 14 12.450 -4.843 1.712 1.00 0.00 C ATOM 240 CG GLU A 14 13.478 -5.935 1.457 1.00 0.00 C ATOM 241 CD GLU A 14 13.355 -7.104 2.412 1.00 0.00 C ATOM 242 OE1 GLU A 14 12.504 -7.985 2.174 1.00 0.00 O ATOM 243 OE2 GLU A 14 14.107 -7.146 3.403 1.00 0.00 O ATOM 0 H GLU A 14 12.294 -5.636 4.066 1.00 0.00 H new ATOM 0 HA GLU A 14 13.781 -3.576 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.475 -5.307 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.373 -4.219 0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.369 -6.296 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.478 -5.510 1.540 1.00 0.00 H new ATOM 250 N SER A 15 10.523 -3.028 3.146 1.00 0.00 N ATOM 251 CA SER A 15 9.486 -2.012 3.015 1.00 0.00 C ATOM 252 C SER A 15 9.693 -0.843 3.976 1.00 0.00 C ATOM 253 O SER A 15 9.802 0.307 3.548 1.00 0.00 O ATOM 254 CB SER A 15 8.111 -2.645 3.235 1.00 0.00 C ATOM 255 OG SER A 15 8.155 -3.609 4.271 1.00 0.00 O ATOM 0 H SER A 15 10.179 -3.946 3.428 1.00 0.00 H new ATOM 0 HA SER A 15 9.547 -1.607 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.386 -1.870 3.485 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.771 -3.114 2.312 1.00 0.00 H new ATOM 0 HG SER A 15 7.872 -3.197 5.114 1.00 0.00 H new ATOM 261 N GLU A 16 9.767 -1.132 5.271 1.00 0.00 N ATOM 262 CA GLU A 16 9.881 -0.083 6.267 1.00 0.00 C ATOM 263 C GLU A 16 11.213 0.664 6.169 1.00 0.00 C ATOM 264 O GLU A 16 11.276 1.848 6.482 1.00 0.00 O ATOM 265 CB GLU A 16 9.666 -0.643 7.672 1.00 0.00 C ATOM 266 CG GLU A 16 8.218 -1.019 7.941 1.00 0.00 C ATOM 267 CD GLU A 16 7.926 -2.493 7.737 1.00 0.00 C ATOM 268 OE1 GLU A 16 8.186 -3.285 8.663 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.419 -2.863 6.656 1.00 0.00 O ATOM 0 H GLU A 16 9.750 -2.079 5.650 1.00 0.00 H new ATOM 0 HA GLU A 16 9.094 0.643 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.296 -1.522 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.987 0.096 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.964 -0.745 8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.572 -0.435 7.286 1.00 0.00 H new ATOM 276 N ARG A 17 12.268 0.002 5.710 1.00 0.00 N ATOM 277 CA ARG A 17 13.561 0.673 5.554 1.00 0.00 C ATOM 278 C ARG A 17 13.481 1.742 4.463 1.00 0.00 C ATOM 279 O ARG A 17 14.241 2.713 4.470 1.00 0.00 O ATOM 280 CB ARG A 17 14.667 -0.339 5.231 1.00 0.00 C ATOM 281 CG ARG A 17 16.072 0.251 5.152 1.00 0.00 C ATOM 282 CD ARG A 17 16.470 0.985 6.429 1.00 0.00 C ATOM 283 NE ARG A 17 16.104 2.405 6.387 1.00 0.00 N ATOM 284 CZ ARG A 17 16.398 3.282 7.346 1.00 0.00 C ATOM 285 NH1 ARG A 17 16.980 2.876 8.467 1.00 0.00 N ATOM 286 NH2 ARG A 17 16.094 4.567 7.190 1.00 0.00 N ATOM 0 H ARG A 17 12.260 -0.982 5.442 1.00 0.00 H new ATOM 0 HA ARG A 17 13.808 1.157 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.659 -1.120 5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.435 -0.818 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.788 -0.548 4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.127 0.940 4.309 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.987 0.512 7.284 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.546 0.893 6.579 1.00 0.00 H new ATOM 0 HE ARG A 17 15.592 2.742 5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.204 1.889 8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.204 3.550 9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.635 4.882 6.335 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.320 5.237 7.925 1.00 0.00 H new ATOM 300 N LEU A 18 12.555 1.567 3.532 1.00 0.00 N ATOM 301 CA LEU A 18 12.339 2.546 2.476 1.00 0.00 C ATOM 302 C LEU A 18 11.391 3.646 2.943 1.00 0.00 C ATOM 303 O LEU A 18 11.588 4.823 2.640 1.00 0.00 O ATOM 304 CB LEU A 18 11.764 1.868 1.232 1.00 0.00 C ATOM 305 CG LEU A 18 12.642 0.780 0.614 1.00 0.00 C ATOM 306 CD1 LEU A 18 11.902 0.080 -0.513 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.948 1.371 0.102 1.00 0.00 C ATOM 0 H LEU A 18 11.940 0.755 3.486 1.00 0.00 H new ATOM 0 HA LEU A 18 13.302 2.993 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.800 1.430 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.575 2.631 0.477 1.00 0.00 H new ATOM 0 HG LEU A 18 12.875 0.047 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.540 -0.692 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.993 -0.377 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.641 0.806 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.559 0.581 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.734 2.124 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.488 1.832 0.929 1.00 0.00 H new ATOM 319 N LEU A 19 10.374 3.259 3.703 1.00 0.00 N ATOM 320 CA LEU A 19 9.329 4.189 4.116 1.00 0.00 C ATOM 321 C LEU A 19 9.743 5.019 5.331 1.00 0.00 C ATOM 322 O LEU A 19 9.283 6.149 5.491 1.00 0.00 O ATOM 323 CB LEU A 19 8.033 3.432 4.412 1.00 0.00 C ATOM 324 CG LEU A 19 7.502 2.583 3.253 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.250 1.844 3.678 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.222 3.443 2.027 1.00 0.00 C ATOM 0 H LEU A 19 10.250 2.307 4.046 1.00 0.00 H new ATOM 0 HA LEU A 19 9.165 4.880 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.197 2.784 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.266 4.152 4.697 1.00 0.00 H new ATOM 0 HG LEU A 19 8.268 1.855 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.882 1.244 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.480 1.193 4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.486 2.563 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.846 2.814 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.477 4.199 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.142 3.932 1.708 1.00 0.00 H new ATOM 338 N LEU A 20 10.610 4.471 6.181 1.00 0.00 N ATOM 339 CA LEU A 20 11.085 5.198 7.364 1.00 0.00 C ATOM 340 C LEU A 20 12.168 6.208 7.000 1.00 0.00 C ATOM 341 O LEU A 20 13.248 6.221 7.592 1.00 0.00 O ATOM 342 CB LEU A 20 11.617 4.239 8.437 1.00 0.00 C ATOM 343 CG LEU A 20 10.587 3.738 9.458 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.928 4.903 10.179 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.541 2.868 8.794 1.00 0.00 C ATOM 0 H LEU A 20 10.997 3.533 6.077 1.00 0.00 H new ATOM 0 HA LEU A 20 10.227 5.734 7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.056 3.375 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.422 4.739 8.977 1.00 0.00 H new ATOM 0 HG LEU A 20 11.116 3.133 10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.202 4.522 10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.688 5.483 10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.421 5.540 9.454 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.824 2.527 9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.021 3.444 8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.024 2.006 8.334 1.00 0.00 H new ATOM 357 N ASN A 21 11.872 7.050 6.028 1.00 0.00 N ATOM 358 CA ASN A 21 12.764 8.125 5.639 1.00 0.00 C ATOM 359 C ASN A 21 11.951 9.389 5.433 1.00 0.00 C ATOM 360 O ASN A 21 10.924 9.360 4.752 1.00 0.00 O ATOM 361 CB ASN A 21 13.518 7.786 4.346 1.00 0.00 C ATOM 362 CG ASN A 21 14.380 6.541 4.465 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.514 6.593 4.937 1.00 0.00 O ATOM 364 ND2 ASN A 21 13.860 5.415 4.010 1.00 0.00 N ATOM 0 H ASN A 21 11.008 7.008 5.487 1.00 0.00 H new ATOM 0 HA ASN A 21 13.499 8.269 6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.798 7.646 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.148 8.631 4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.403 4.552 4.044 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.916 5.408 3.625 1.00 0.00 H new ATOM 371 N PRO A 22 12.393 10.518 6.008 1.00 0.00 N ATOM 372 CA PRO A 22 11.693 11.808 5.899 1.00 0.00 C ATOM 373 C PRO A 22 11.758 12.389 4.485 1.00 0.00 C ATOM 374 O PRO A 22 11.357 13.527 4.244 1.00 0.00 O ATOM 375 CB PRO A 22 12.445 12.717 6.883 1.00 0.00 C ATOM 376 CG PRO A 22 13.296 11.805 7.702 1.00 0.00 C ATOM 377 CD PRO A 22 13.610 10.634 6.821 1.00 0.00 C ATOM 0 HA PRO A 22 10.630 11.708 6.120 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.053 13.450 6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.750 13.274 7.511 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.208 12.307 8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.772 11.486 8.603 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.493 10.812 6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.800 9.730 7.399 1.00 0.00 H new ATOM 385 N GLU A 23 12.277 11.593 3.563 1.00 0.00 N ATOM 386 CA GLU A 23 12.396 11.984 2.169 1.00 0.00 C ATOM 387 C GLU A 23 11.187 11.487 1.381 1.00 0.00 C ATOM 388 O GLU A 23 11.067 11.723 0.178 1.00 0.00 O ATOM 389 CB GLU A 23 13.688 11.405 1.598 1.00 0.00 C ATOM 390 CG GLU A 23 14.909 11.749 2.436 1.00 0.00 C ATOM 391 CD GLU A 23 16.103 10.886 2.105 1.00 0.00 C ATOM 392 OE1 GLU A 23 16.008 9.656 2.276 1.00 0.00 O ATOM 393 OE2 GLU A 23 17.146 11.433 1.698 1.00 0.00 O ATOM 0 H GLU A 23 12.628 10.656 3.762 1.00 0.00 H new ATOM 0 HA GLU A 23 12.427 13.071 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.595 10.321 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.832 11.779 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.168 12.796 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.664 11.634 3.492 1.00 0.00 H new ATOM 400 N ASN A 24 10.291 10.797 2.076 1.00 0.00 N ATOM 401 CA ASN A 24 9.067 10.297 1.464 1.00 0.00 C ATOM 402 C ASN A 24 7.916 11.251 1.743 1.00 0.00 C ATOM 403 O ASN A 24 7.699 11.654 2.886 1.00 0.00 O ATOM 404 CB ASN A 24 8.697 8.909 1.998 1.00 0.00 C ATOM 405 CG ASN A 24 9.686 7.830 1.602 1.00 0.00 C ATOM 406 OD1 ASN A 24 9.591 7.252 0.523 1.00 0.00 O ATOM 407 ND2 ASN A 24 10.623 7.530 2.486 1.00 0.00 N ATOM 0 H ASN A 24 10.390 10.571 3.066 1.00 0.00 H new ATOM 0 HA ASN A 24 9.245 10.224 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.632 8.951 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.708 8.638 1.630 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.300 6.795 2.282 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.669 8.034 3.372 1.00 0.00 H new ATOM 414 N PRO A 25 7.186 11.651 0.697 1.00 0.00 N ATOM 415 CA PRO A 25 5.974 12.451 0.852 1.00 0.00 C ATOM 416 C PRO A 25 4.880 11.658 1.557 1.00 0.00 C ATOM 417 O PRO A 25 4.702 10.467 1.286 1.00 0.00 O ATOM 418 CB PRO A 25 5.543 12.769 -0.586 1.00 0.00 C ATOM 419 CG PRO A 25 6.702 12.404 -1.454 1.00 0.00 C ATOM 420 CD PRO A 25 7.490 11.366 -0.711 1.00 0.00 C ATOM 0 HA PRO A 25 6.149 13.343 1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.655 12.200 -0.862 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.292 13.824 -0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.359 12.016 -2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.317 13.279 -1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.189 10.356 -0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.557 11.449 -0.916 1.00 0.00 H new ATOM 428 N ARG A 26 4.162 12.308 2.471 1.00 0.00 N ATOM 429 CA ARG A 26 3.046 11.664 3.155 1.00 0.00 C ATOM 430 C ARG A 26 1.977 11.270 2.138 1.00 0.00 C ATOM 431 O ARG A 26 1.197 12.108 1.676 1.00 0.00 O ATOM 432 CB ARG A 26 2.468 12.588 4.236 1.00 0.00 C ATOM 433 CG ARG A 26 1.229 12.036 4.927 1.00 0.00 C ATOM 434 CD ARG A 26 0.897 12.818 6.191 1.00 0.00 C ATOM 435 NE ARG A 26 0.788 14.259 5.947 1.00 0.00 N ATOM 436 CZ ARG A 26 0.562 15.159 6.904 1.00 0.00 C ATOM 437 NH1 ARG A 26 0.324 14.766 8.149 1.00 0.00 N ATOM 438 NH2 ARG A 26 0.552 16.454 6.606 1.00 0.00 N ATOM 0 H ARG A 26 4.332 13.273 2.753 1.00 0.00 H new ATOM 0 HA ARG A 26 3.404 10.761 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.236 12.777 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.221 13.549 3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.382 12.074 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.389 10.987 5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.042 12.451 6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.668 12.637 6.940 1.00 0.00 H new ATOM 0 HE ARG A 26 0.891 14.593 4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.314 13.772 8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.152 15.458 8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.717 16.758 5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.379 17.144 7.337 1.00 0.00 H new ATOM 452 N GLY A 27 1.960 9.993 1.790 1.00 0.00 N ATOM 453 CA GLY A 27 1.121 9.517 0.710 1.00 0.00 C ATOM 454 C GLY A 27 1.864 8.537 -0.182 1.00 0.00 C ATOM 455 O GLY A 27 1.300 8.002 -1.140 1.00 0.00 O ATOM 0 H GLY A 27 2.519 9.270 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.234 9.035 1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.777 10.363 0.115 1.00 0.00 H new ATOM 459 N THR A 28 3.144 8.333 0.125 1.00 0.00 N ATOM 460 CA THR A 28 3.968 7.346 -0.567 1.00 0.00 C ATOM 461 C THR A 28 3.521 5.934 -0.209 1.00 0.00 C ATOM 462 O THR A 28 3.594 5.534 0.951 1.00 0.00 O ATOM 463 CB THR A 28 5.455 7.518 -0.194 1.00 0.00 C ATOM 464 OG1 THR A 28 5.888 8.835 -0.548 1.00 0.00 O ATOM 465 CG2 THR A 28 6.329 6.484 -0.889 1.00 0.00 C ATOM 0 H THR A 28 3.636 8.845 0.857 1.00 0.00 H new ATOM 0 HA THR A 28 3.848 7.503 -1.639 1.00 0.00 H new ATOM 0 HB THR A 28 5.554 7.371 0.881 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.510 9.484 0.082 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.370 6.636 -0.603 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.014 5.483 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.231 6.591 -1.969 1.00 0.00 H new ATOM 473 N PHE A 29 3.064 5.180 -1.197 1.00 0.00 N ATOM 474 CA PHE A 29 2.517 3.858 -0.936 1.00 0.00 C ATOM 475 C PHE A 29 3.231 2.780 -1.743 1.00 0.00 C ATOM 476 O PHE A 29 3.960 3.074 -2.691 1.00 0.00 O ATOM 477 CB PHE A 29 1.016 3.831 -1.251 1.00 0.00 C ATOM 478 CG PHE A 29 0.692 3.951 -2.718 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.673 5.187 -3.339 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.403 2.822 -3.469 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.371 5.296 -4.684 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.100 2.925 -4.811 1.00 0.00 C ATOM 483 CZ PHE A 29 0.084 4.164 -5.421 1.00 0.00 C ATOM 0 H PHE A 29 3.061 5.458 -2.178 1.00 0.00 H new ATOM 0 HA PHE A 29 2.672 3.645 0.122 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.593 2.901 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.529 4.645 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.896 6.076 -2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.415 1.850 -2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.360 6.266 -5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.124 2.038 -5.384 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.152 4.247 -6.472 1.00 0.00 H new ATOM 493 N LEU A 30 3.016 1.536 -1.335 1.00 0.00 N ATOM 494 CA LEU A 30 3.498 0.369 -2.062 1.00 0.00 C ATOM 495 C LEU A 30 2.759 -0.864 -1.553 1.00 0.00 C ATOM 496 O LEU A 30 2.410 -0.936 -0.372 1.00 0.00 O ATOM 497 CB LEU A 30 5.021 0.192 -1.906 1.00 0.00 C ATOM 498 CG LEU A 30 5.512 -0.436 -0.591 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.019 -0.629 -0.629 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.131 0.416 0.607 1.00 0.00 C ATOM 0 H LEU A 30 2.499 1.307 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 30 3.301 0.508 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.378 -0.424 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.490 1.170 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 30 5.027 -1.406 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.353 -1.074 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.281 -1.288 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.506 0.336 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.493 -0.057 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.579 1.405 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.046 0.513 0.654 1.00 0.00 H new ATOM 512 N VAL A 31 2.498 -1.822 -2.423 1.00 0.00 N ATOM 513 CA VAL A 31 1.782 -3.017 -2.009 1.00 0.00 C ATOM 514 C VAL A 31 2.678 -4.251 -2.071 1.00 0.00 C ATOM 515 O VAL A 31 3.225 -4.599 -3.121 1.00 0.00 O ATOM 516 CB VAL A 31 0.484 -3.240 -2.829 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.740 -3.156 -4.319 1.00 0.00 C ATOM 518 CG2 VAL A 31 -0.156 -4.574 -2.473 1.00 0.00 C ATOM 0 H VAL A 31 2.766 -1.799 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 31 1.487 -2.859 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.208 -2.439 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.193 -3.318 -4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.135 -2.171 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.463 -3.919 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.065 -4.710 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.542 -5.382 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.404 -4.587 -1.412 1.00 0.00 H new ATOM 528 N ARG A 32 2.845 -4.884 -0.920 1.00 0.00 N ATOM 529 CA ARG A 32 3.598 -6.125 -0.823 1.00 0.00 C ATOM 530 C ARG A 32 2.629 -7.283 -0.598 1.00 0.00 C ATOM 531 O ARG A 32 1.552 -7.091 -0.038 1.00 0.00 O ATOM 532 CB ARG A 32 4.611 -6.057 0.331 1.00 0.00 C ATOM 533 CG ARG A 32 3.971 -6.060 1.712 1.00 0.00 C ATOM 534 CD ARG A 32 5.007 -6.041 2.829 1.00 0.00 C ATOM 535 NE ARG A 32 4.376 -6.163 4.148 1.00 0.00 N ATOM 536 CZ ARG A 32 4.905 -5.701 5.287 1.00 0.00 C ATOM 537 NH1 ARG A 32 6.097 -5.112 5.288 1.00 0.00 N ATOM 538 NH2 ARG A 32 4.232 -5.835 6.428 1.00 0.00 N ATOM 0 H ARG A 32 2.465 -4.555 -0.032 1.00 0.00 H new ATOM 0 HA ARG A 32 4.148 -6.280 -1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.292 -6.905 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.212 -5.154 0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.319 -5.192 1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.343 -6.945 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.714 -6.858 2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.578 -5.114 2.782 1.00 0.00 H new ATOM 0 HE ARG A 32 3.472 -6.632 4.200 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.616 -5.009 4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.493 -4.763 6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.318 -6.288 6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.630 -5.485 7.299 1.00 0.00 H new ATOM 552 N GLU A 33 2.994 -8.466 -1.054 1.00 0.00 N ATOM 553 CA GLU A 33 2.189 -9.653 -0.806 1.00 0.00 C ATOM 554 C GLU A 33 2.669 -10.350 0.457 1.00 0.00 C ATOM 555 O GLU A 33 3.868 -10.386 0.737 1.00 0.00 O ATOM 556 CB GLU A 33 2.257 -10.625 -1.992 1.00 0.00 C ATOM 557 CG GLU A 33 1.441 -11.894 -1.776 1.00 0.00 C ATOM 558 CD GLU A 33 1.423 -12.811 -2.980 1.00 0.00 C ATOM 559 OE1 GLU A 33 2.395 -13.578 -3.165 1.00 0.00 O ATOM 560 OE2 GLU A 33 0.431 -12.781 -3.736 1.00 0.00 O ATOM 0 H GLU A 33 3.841 -8.634 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 33 1.153 -9.340 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.899 -10.119 -2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.297 -10.896 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.846 -12.436 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.417 -11.620 -1.523 1.00 0.00 H new ATOM 567 N SER A 34 1.732 -10.885 1.221 1.00 0.00 N ATOM 568 CA SER A 34 2.074 -11.635 2.410 1.00 0.00 C ATOM 569 C SER A 34 2.669 -12.978 2.008 1.00 0.00 C ATOM 570 O SER A 34 2.050 -13.751 1.273 1.00 0.00 O ATOM 571 CB SER A 34 0.839 -11.832 3.292 1.00 0.00 C ATOM 572 OG SER A 34 1.147 -12.582 4.456 1.00 0.00 O ATOM 0 H SER A 34 0.731 -10.812 1.037 1.00 0.00 H new ATOM 0 HA SER A 34 2.813 -11.078 2.986 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.437 -10.860 3.579 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.062 -12.343 2.723 1.00 0.00 H new ATOM 0 HG SER A 34 0.339 -12.689 4.999 1.00 0.00 H new ATOM 578 N GLU A 35 3.874 -13.241 2.483 1.00 0.00 N ATOM 579 CA GLU A 35 4.596 -14.452 2.122 1.00 0.00 C ATOM 580 C GLU A 35 4.049 -15.658 2.879 1.00 0.00 C ATOM 581 O GLU A 35 4.324 -16.806 2.524 1.00 0.00 O ATOM 582 CB GLU A 35 6.084 -14.277 2.422 1.00 0.00 C ATOM 583 CG GLU A 35 6.376 -14.049 3.894 1.00 0.00 C ATOM 584 CD GLU A 35 7.836 -13.777 4.166 1.00 0.00 C ATOM 585 OE1 GLU A 35 8.690 -14.548 3.678 1.00 0.00 O ATOM 586 OE2 GLU A 35 8.136 -12.800 4.884 1.00 0.00 O ATOM 0 H GLU A 35 4.377 -12.628 3.124 1.00 0.00 H new ATOM 0 HA GLU A 35 4.461 -14.629 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.622 -15.163 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.467 -13.433 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.782 -13.208 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.062 -14.925 4.462 1.00 0.00 H new ATOM 593 N THR A 36 3.278 -15.393 3.921 1.00 0.00 N ATOM 594 CA THR A 36 2.751 -16.448 4.770 1.00 0.00 C ATOM 595 C THR A 36 1.291 -16.765 4.446 1.00 0.00 C ATOM 596 O THR A 36 0.807 -17.857 4.748 1.00 0.00 O ATOM 597 CB THR A 36 2.876 -16.058 6.253 1.00 0.00 C ATOM 598 OG1 THR A 36 2.479 -14.692 6.430 1.00 0.00 O ATOM 599 CG2 THR A 36 4.304 -16.239 6.744 1.00 0.00 C ATOM 0 H THR A 36 3.002 -14.451 4.200 1.00 0.00 H new ATOM 0 HA THR A 36 3.343 -17.342 4.576 1.00 0.00 H new ATOM 0 HB THR A 36 2.224 -16.710 6.834 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.559 -14.448 7.376 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.366 -15.957 7.795 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.598 -17.282 6.631 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.973 -15.608 6.159 1.00 0.00 H new ATOM 607 N THR A 37 0.596 -15.821 3.826 1.00 0.00 N ATOM 608 CA THR A 37 -0.818 -15.998 3.530 1.00 0.00 C ATOM 609 C THR A 37 -1.128 -15.676 2.071 1.00 0.00 C ATOM 610 O THR A 37 -0.888 -14.563 1.601 1.00 0.00 O ATOM 611 CB THR A 37 -1.687 -15.105 4.438 1.00 0.00 C ATOM 612 OG1 THR A 37 -1.311 -15.287 5.812 1.00 0.00 O ATOM 613 CG2 THR A 37 -3.164 -15.426 4.273 1.00 0.00 C ATOM 0 H THR A 37 0.986 -14.930 3.520 1.00 0.00 H new ATOM 0 HA THR A 37 -1.053 -17.046 3.718 1.00 0.00 H new ATOM 0 HB THR A 37 -1.522 -14.068 4.145 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.867 -14.715 6.382 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.752 -14.781 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.459 -15.260 3.237 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.342 -16.468 4.538 1.00 0.00 H new ATOM 621 N LYS A 38 -1.663 -16.658 1.359 1.00 0.00 N ATOM 622 CA LYS A 38 -2.110 -16.458 -0.004 1.00 0.00 C ATOM 623 C LYS A 38 -3.531 -15.914 0.009 1.00 0.00 C ATOM 624 O LYS A 38 -4.459 -16.582 0.458 1.00 0.00 O ATOM 625 CB LYS A 38 -2.038 -17.776 -0.775 1.00 0.00 C ATOM 626 CG LYS A 38 -2.695 -17.729 -2.143 1.00 0.00 C ATOM 627 CD LYS A 38 -2.025 -16.725 -3.068 1.00 0.00 C ATOM 628 CE LYS A 38 -2.658 -16.735 -4.451 1.00 0.00 C ATOM 629 NZ LYS A 38 -2.480 -18.046 -5.131 1.00 0.00 N ATOM 0 H LYS A 38 -1.797 -17.606 1.710 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.462 -15.738 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.992 -18.058 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.513 -18.558 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.657 -18.720 -2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.748 -17.470 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.101 -15.726 -2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.963 -16.957 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.721 -16.511 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.214 -15.947 -5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.690 -17.943 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.498 -18.368 -5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.127 -18.745 -4.713 1.00 0.00 H new ATOM 643 N GLY A 39 -3.693 -14.698 -0.472 1.00 0.00 N ATOM 644 CA GLY A 39 -4.983 -14.053 -0.423 1.00 0.00 C ATOM 645 C GLY A 39 -4.962 -12.834 0.470 1.00 0.00 C ATOM 646 O GLY A 39 -6.010 -12.280 0.813 1.00 0.00 O ATOM 0 H GLY A 39 -2.951 -14.142 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.283 -13.762 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.730 -14.759 -0.059 1.00 0.00 H new ATOM 650 N ALA A 40 -3.760 -12.423 0.849 1.00 0.00 N ATOM 651 CA ALA A 40 -3.576 -11.256 1.692 1.00 0.00 C ATOM 652 C ALA A 40 -2.373 -10.448 1.228 1.00 0.00 C ATOM 653 O ALA A 40 -1.284 -10.990 1.024 1.00 0.00 O ATOM 654 CB ALA A 40 -3.416 -11.660 3.152 1.00 0.00 C ATOM 0 H ALA A 40 -2.892 -12.887 0.582 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.466 -10.633 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.280 -10.768 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.308 -12.193 3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.546 -12.308 3.257 1.00 0.00 H new ATOM 660 N TYR A 41 -2.584 -9.160 1.045 1.00 0.00 N ATOM 661 CA TYR A 41 -1.528 -8.250 0.644 1.00 0.00 C ATOM 662 C TYR A 41 -1.365 -7.173 1.705 1.00 0.00 C ATOM 663 O TYR A 41 -2.067 -7.183 2.712 1.00 0.00 O ATOM 664 CB TYR A 41 -1.851 -7.615 -0.713 1.00 0.00 C ATOM 665 CG TYR A 41 -1.902 -8.609 -1.851 1.00 0.00 C ATOM 666 CD1 TYR A 41 -3.047 -9.356 -2.110 1.00 0.00 C ATOM 667 CD2 TYR A 41 -0.797 -8.804 -2.665 1.00 0.00 C ATOM 668 CE1 TYR A 41 -3.084 -10.269 -3.146 1.00 0.00 C ATOM 669 CE2 TYR A 41 -0.826 -9.716 -3.700 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.971 -10.445 -3.937 1.00 0.00 C ATOM 671 OH TYR A 41 -1.996 -11.359 -4.962 1.00 0.00 O ATOM 0 H TYR A 41 -3.493 -8.714 1.170 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.595 -8.805 0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.811 -7.103 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.101 -6.857 -0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.921 -9.220 -1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.102 -8.232 -2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.980 -10.841 -3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.045 -9.858 -4.322 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.271 -12.007 -4.840 1.00 0.00 H new ATOM 681 N CYS A 42 -0.435 -6.264 1.495 1.00 0.00 N ATOM 682 CA CYS A 42 -0.231 -5.157 2.411 1.00 0.00 C ATOM 683 C CYS A 42 0.032 -3.876 1.640 1.00 0.00 C ATOM 684 O CYS A 42 1.141 -3.653 1.150 1.00 0.00 O ATOM 685 CB CYS A 42 0.940 -5.443 3.356 1.00 0.00 C ATOM 686 SG CYS A 42 0.777 -6.972 4.309 1.00 0.00 S ATOM 0 H CYS A 42 0.196 -6.269 0.693 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.137 -5.037 3.005 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.859 -5.490 2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.045 -4.607 4.048 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.410 -7.470 4.130 1.00 0.00 H new ATOM 692 N LEU A 43 -0.996 -3.055 1.507 1.00 0.00 N ATOM 693 CA LEU A 43 -0.843 -1.747 0.906 1.00 0.00 C ATOM 694 C LEU A 43 -0.339 -0.793 1.980 1.00 0.00 C ATOM 695 O LEU A 43 -1.114 -0.269 2.781 1.00 0.00 O ATOM 696 CB LEU A 43 -2.181 -1.268 0.311 1.00 0.00 C ATOM 697 CG LEU A 43 -2.128 -0.044 -0.629 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.816 1.236 0.132 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.110 -0.253 -1.740 1.00 0.00 C ATOM 0 H LEU A 43 -1.945 -3.274 1.808 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.125 -1.785 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.625 -2.098 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.855 -1.034 1.135 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.117 0.060 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.787 2.075 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.588 1.412 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.848 1.140 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.093 0.624 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.122 -0.402 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.385 -1.131 -2.325 1.00 0.00 H new ATOM 711 N SER A 44 0.961 -0.605 2.014 1.00 0.00 N ATOM 712 CA SER A 44 1.572 0.233 3.015 1.00 0.00 C ATOM 713 C SER A 44 1.722 1.647 2.484 1.00 0.00 C ATOM 714 O SER A 44 1.995 1.851 1.298 1.00 0.00 O ATOM 715 CB SER A 44 2.931 -0.335 3.421 1.00 0.00 C ATOM 716 OG SER A 44 3.522 0.433 4.443 1.00 0.00 O ATOM 0 H SER A 44 1.617 -1.025 1.355 1.00 0.00 H new ATOM 0 HA SER A 44 0.932 0.257 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.811 -1.364 3.760 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.591 -0.360 2.554 1.00 0.00 H new ATOM 0 HG SER A 44 2.835 0.705 5.086 1.00 0.00 H new ATOM 722 N VAL A 45 1.529 2.616 3.356 1.00 0.00 N ATOM 723 CA VAL A 45 1.647 4.006 2.980 1.00 0.00 C ATOM 724 C VAL A 45 2.426 4.773 4.042 1.00 0.00 C ATOM 725 O VAL A 45 2.192 4.615 5.243 1.00 0.00 O ATOM 726 CB VAL A 45 0.258 4.653 2.740 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.605 4.596 3.992 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.401 6.083 2.245 1.00 0.00 C ATOM 0 H VAL A 45 1.288 2.462 4.335 1.00 0.00 H new ATOM 0 HA VAL A 45 2.194 4.055 2.038 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.245 4.075 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.571 5.058 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.754 3.557 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.109 5.133 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.588 6.513 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.937 6.673 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.956 6.090 1.307 1.00 0.00 H new ATOM 738 N SER A 46 3.381 5.568 3.590 1.00 0.00 N ATOM 739 CA SER A 46 4.205 6.355 4.482 1.00 0.00 C ATOM 740 C SER A 46 3.471 7.610 4.919 1.00 0.00 C ATOM 741 O SER A 46 2.970 8.385 4.096 1.00 0.00 O ATOM 742 CB SER A 46 5.534 6.710 3.812 1.00 0.00 C ATOM 743 OG SER A 46 6.351 7.498 4.658 1.00 0.00 O ATOM 0 H SER A 46 3.603 5.684 2.601 1.00 0.00 H new ATOM 0 HA SER A 46 4.418 5.759 5.369 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.063 5.795 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.342 7.250 2.885 1.00 0.00 H new ATOM 0 HG SER A 46 7.185 7.019 4.847 1.00 0.00 H new ATOM 749 N ASP A 47 3.405 7.786 6.220 1.00 0.00 N ATOM 750 CA ASP A 47 2.718 8.910 6.826 1.00 0.00 C ATOM 751 C ASP A 47 3.637 9.601 7.815 1.00 0.00 C ATOM 752 O ASP A 47 4.477 8.958 8.442 1.00 0.00 O ATOM 753 CB ASP A 47 1.449 8.430 7.534 1.00 0.00 C ATOM 754 CG ASP A 47 0.844 9.483 8.446 1.00 0.00 C ATOM 755 OD1 ASP A 47 0.045 10.306 7.961 1.00 0.00 O ATOM 756 OD2 ASP A 47 1.159 9.478 9.656 1.00 0.00 O ATOM 0 H ASP A 47 3.829 7.149 6.894 1.00 0.00 H new ATOM 0 HA ASP A 47 2.438 9.618 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.711 8.137 6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.681 7.540 8.119 1.00 0.00 H new ATOM 761 N PHE A 48 3.488 10.904 7.948 1.00 0.00 N ATOM 762 CA PHE A 48 4.287 11.653 8.893 1.00 0.00 C ATOM 763 C PHE A 48 3.418 12.593 9.702 1.00 0.00 C ATOM 764 O PHE A 48 2.834 13.538 9.174 1.00 0.00 O ATOM 765 CB PHE A 48 5.393 12.429 8.181 1.00 0.00 C ATOM 766 CG PHE A 48 6.210 13.294 9.098 1.00 0.00 C ATOM 767 CD1 PHE A 48 7.140 12.729 9.953 1.00 0.00 C ATOM 768 CD2 PHE A 48 6.046 14.668 9.102 1.00 0.00 C ATOM 769 CE1 PHE A 48 7.892 13.518 10.800 1.00 0.00 C ATOM 770 CE2 PHE A 48 6.795 15.462 9.943 1.00 0.00 C ATOM 771 CZ PHE A 48 7.717 14.889 10.795 1.00 0.00 C ATOM 0 H PHE A 48 2.823 11.463 7.415 1.00 0.00 H new ATOM 0 HA PHE A 48 4.755 10.942 9.574 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.054 11.723 7.677 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.946 13.055 7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.279 11.658 9.958 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.324 15.122 8.440 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.614 13.066 11.464 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.660 16.534 9.935 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.301 15.511 11.457 1.00 0.00 H new ATOM 781 N ASP A 49 3.334 12.310 10.982 1.00 0.00 N ATOM 782 CA ASP A 49 2.655 13.183 11.923 1.00 0.00 C ATOM 783 C ASP A 49 3.693 13.905 12.757 1.00 0.00 C ATOM 784 O ASP A 49 4.665 13.300 13.203 1.00 0.00 O ATOM 785 CB ASP A 49 1.713 12.397 12.840 1.00 0.00 C ATOM 786 CG ASP A 49 0.297 12.294 12.302 1.00 0.00 C ATOM 787 OD1 ASP A 49 -0.107 13.157 11.501 1.00 0.00 O ATOM 788 OD2 ASP A 49 -0.429 11.357 12.708 1.00 0.00 O ATOM 0 H ASP A 49 3.732 11.471 11.403 1.00 0.00 H new ATOM 0 HA ASP A 49 2.053 13.897 11.362 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.113 11.393 12.985 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.688 12.875 13.819 1.00 0.00 H new ATOM 793 N ASN A 50 3.477 15.185 12.987 1.00 0.00 N ATOM 794 CA ASN A 50 4.471 16.022 13.653 1.00 0.00 C ATOM 795 C ASN A 50 4.584 15.678 15.133 1.00 0.00 C ATOM 796 O ASN A 50 5.467 16.180 15.826 1.00 0.00 O ATOM 797 CB ASN A 50 4.113 17.499 13.499 1.00 0.00 C ATOM 798 CG ASN A 50 3.884 17.899 12.057 1.00 0.00 C ATOM 799 OD1 ASN A 50 2.760 17.838 11.560 1.00 0.00 O ATOM 800 ND2 ASN A 50 4.941 18.301 11.369 1.00 0.00 N ATOM 0 H ASN A 50 2.622 15.675 12.724 1.00 0.00 H new ATOM 0 HA ASN A 50 5.433 15.830 13.179 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.214 17.713 14.078 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.914 18.108 13.918 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.840 18.574 10.391 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.857 18.338 11.816 1.00 0.00 H new ATOM 807 N ALA A 51 3.673 14.846 15.623 1.00 0.00 N ATOM 808 CA ALA A 51 3.697 14.428 17.019 1.00 0.00 C ATOM 809 C ALA A 51 3.959 12.929 17.163 1.00 0.00 C ATOM 810 O ALA A 51 4.396 12.471 18.216 1.00 0.00 O ATOM 811 CB ALA A 51 2.391 14.798 17.706 1.00 0.00 C ATOM 0 H ALA A 51 2.910 14.448 15.075 1.00 0.00 H new ATOM 0 HA ALA A 51 4.520 14.955 17.501 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.425 14.479 18.748 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.250 15.878 17.661 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.561 14.302 17.202 1.00 0.00 H new ATOM 817 N LYS A 52 3.689 12.168 16.106 1.00 0.00 N ATOM 818 CA LYS A 52 3.843 10.710 16.153 1.00 0.00 C ATOM 819 C LYS A 52 5.115 10.263 15.437 1.00 0.00 C ATOM 820 O LYS A 52 5.646 9.183 15.706 1.00 0.00 O ATOM 821 CB LYS A 52 2.646 9.997 15.506 1.00 0.00 C ATOM 822 CG LYS A 52 1.320 10.118 16.250 1.00 0.00 C ATOM 823 CD LYS A 52 0.714 11.505 16.128 1.00 0.00 C ATOM 824 CE LYS A 52 -0.796 11.464 16.271 1.00 0.00 C ATOM 825 NZ LYS A 52 -1.442 10.754 15.132 1.00 0.00 N ATOM 0 H LYS A 52 3.364 12.530 15.210 1.00 0.00 H new ATOM 0 HA LYS A 52 3.901 10.439 17.207 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.513 10.392 14.499 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.889 8.939 15.404 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.618 9.382 15.859 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.474 9.883 17.303 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.136 12.157 16.893 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.978 11.935 15.162 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.059 10.967 17.205 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.183 12.481 16.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.403 11.127 14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.882 10.902 14.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.493 9.736 15.341 1.00 0.00 H new ATOM 839 N GLY A 53 5.587 11.090 14.516 1.00 0.00 N ATOM 840 CA GLY A 53 6.728 10.726 13.705 1.00 0.00 C ATOM 841 C GLY A 53 6.298 10.068 12.411 1.00 0.00 C ATOM 842 O GLY A 53 5.176 10.280 11.943 1.00 0.00 O ATOM 0 H GLY A 53 5.197 12.011 14.316 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.318 11.615 13.484 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.372 10.047 14.264 1.00 0.00 H new ATOM 846 N LEU A 54 7.186 9.274 11.835 1.00 0.00 N ATOM 847 CA LEU A 54 6.880 8.522 10.626 1.00 0.00 C ATOM 848 C LEU A 54 6.058 7.283 10.962 1.00 0.00 C ATOM 849 O LEU A 54 6.536 6.369 11.643 1.00 0.00 O ATOM 850 CB LEU A 54 8.173 8.116 9.910 1.00 0.00 C ATOM 851 CG LEU A 54 8.994 9.270 9.334 1.00 0.00 C ATOM 852 CD1 LEU A 54 10.365 8.777 8.903 1.00 0.00 C ATOM 853 CD2 LEU A 54 8.264 9.907 8.160 1.00 0.00 C ATOM 0 H LEU A 54 8.132 9.132 12.188 1.00 0.00 H new ATOM 0 HA LEU A 54 6.295 9.160 9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.798 7.562 10.611 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.920 7.432 9.100 1.00 0.00 H new ATOM 0 HG LEU A 54 9.125 10.025 10.109 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.939 9.609 8.495 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.890 8.362 9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.251 8.006 8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.862 10.727 7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.106 9.161 7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.300 10.290 8.495 1.00 0.00 H new ATOM 865 N ASN A 55 4.826 7.254 10.485 1.00 0.00 N ATOM 866 CA ASN A 55 3.935 6.134 10.742 1.00 0.00 C ATOM 867 C ASN A 55 3.735 5.327 9.474 1.00 0.00 C ATOM 868 O ASN A 55 3.268 5.854 8.463 1.00 0.00 O ATOM 869 CB ASN A 55 2.565 6.603 11.250 1.00 0.00 C ATOM 870 CG ASN A 55 2.655 7.569 12.411 1.00 0.00 C ATOM 871 OD1 ASN A 55 2.775 7.166 13.570 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.545 8.852 12.110 1.00 0.00 N ATOM 0 H ASN A 55 4.418 7.995 9.916 1.00 0.00 H new ATOM 0 HA ASN A 55 4.400 5.520 11.513 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.025 7.079 10.431 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.981 5.734 11.554 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.558 9.553 12.851 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.448 9.141 11.137 1.00 0.00 H new ATOM 879 N VAL A 56 4.100 4.061 9.517 1.00 0.00 N ATOM 880 CA VAL A 56 3.865 3.182 8.388 1.00 0.00 C ATOM 881 C VAL A 56 2.526 2.479 8.547 1.00 0.00 C ATOM 882 O VAL A 56 2.370 1.590 9.389 1.00 0.00 O ATOM 883 CB VAL A 56 4.986 2.143 8.211 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.688 1.235 7.028 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.318 2.841 8.025 1.00 0.00 C ATOM 0 H VAL A 56 4.557 3.620 10.315 1.00 0.00 H new ATOM 0 HA VAL A 56 3.853 3.802 7.492 1.00 0.00 H new ATOM 0 HB VAL A 56 5.038 1.527 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.491 0.506 6.917 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.746 0.714 7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.613 1.833 6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.105 2.097 7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.276 3.476 7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.533 3.453 8.901 1.00 0.00 H new ATOM 895 N LYS A 57 1.563 2.898 7.749 1.00 0.00 N ATOM 896 CA LYS A 57 0.223 2.347 7.817 1.00 0.00 C ATOM 897 C LYS A 57 0.094 1.177 6.855 1.00 0.00 C ATOM 898 O LYS A 57 -0.060 1.369 5.649 1.00 0.00 O ATOM 899 CB LYS A 57 -0.815 3.423 7.486 1.00 0.00 C ATOM 900 CG LYS A 57 -0.701 4.672 8.348 1.00 0.00 C ATOM 901 CD LYS A 57 -1.778 5.688 8.006 1.00 0.00 C ATOM 902 CE LYS A 57 -1.587 6.989 8.771 1.00 0.00 C ATOM 903 NZ LYS A 57 -1.703 6.807 10.241 1.00 0.00 N ATOM 0 H LYS A 57 1.685 3.623 7.042 1.00 0.00 H new ATOM 0 HA LYS A 57 0.041 1.993 8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.711 3.705 6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.813 3.001 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.780 4.397 9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.282 5.122 8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.761 5.890 6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.758 5.271 8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.607 7.405 8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.329 7.715 8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.667 7.735 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.606 6.342 10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.917 6.217 10.581 1.00 0.00 H new ATOM 917 N HIS A 58 0.184 -0.031 7.386 1.00 0.00 N ATOM 918 CA HIS A 58 0.060 -1.228 6.571 1.00 0.00 C ATOM 919 C HIS A 58 -1.403 -1.610 6.406 1.00 0.00 C ATOM 920 O HIS A 58 -1.958 -2.367 7.205 1.00 0.00 O ATOM 921 CB HIS A 58 0.842 -2.397 7.178 1.00 0.00 C ATOM 922 CG HIS A 58 2.317 -2.342 6.911 1.00 0.00 C ATOM 923 ND1 HIS A 58 2.830 -2.684 5.686 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.335 -1.991 7.734 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.138 -2.533 5.783 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.493 -2.116 7.005 1.00 0.00 N ATOM 0 H HIS A 58 0.342 -0.209 8.378 1.00 0.00 H new ATOM 0 HA HIS A 58 0.483 -1.008 5.591 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.678 -2.412 8.255 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.445 -3.332 6.782 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.307 -2.992 4.866 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.252 -1.674 8.763 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.834 -2.722 4.979 1.00 0.00 H new ATOM 934 N TYR A 59 -2.030 -1.066 5.377 1.00 0.00 N ATOM 935 CA TYR A 59 -3.402 -1.410 5.055 1.00 0.00 C ATOM 936 C TYR A 59 -3.437 -2.760 4.352 1.00 0.00 C ATOM 937 O TYR A 59 -3.368 -2.837 3.124 1.00 0.00 O ATOM 938 CB TYR A 59 -4.036 -0.339 4.169 1.00 0.00 C ATOM 939 CG TYR A 59 -4.292 0.979 4.869 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.451 1.178 5.608 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.386 2.027 4.775 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.698 2.386 6.235 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.629 3.239 5.397 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.785 3.414 6.125 1.00 0.00 C ATOM 945 OH TYR A 59 -5.032 4.621 6.738 1.00 0.00 O ATOM 0 H TYR A 59 -1.608 -0.382 4.749 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.975 -1.468 5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.386 -0.161 3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.980 -0.719 3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.170 0.377 5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.477 1.894 4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.603 2.524 6.809 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.915 4.045 5.312 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.289 5.235 6.562 1.00 0.00 H new ATOM 955 N LYS A 60 -3.520 -3.819 5.141 1.00 0.00 N ATOM 956 CA LYS A 60 -3.523 -5.166 4.601 1.00 0.00 C ATOM 957 C LYS A 60 -4.739 -5.401 3.708 1.00 0.00 C ATOM 958 O LYS A 60 -5.873 -5.078 4.070 1.00 0.00 O ATOM 959 CB LYS A 60 -3.446 -6.208 5.724 1.00 0.00 C ATOM 960 CG LYS A 60 -4.516 -6.069 6.796 1.00 0.00 C ATOM 961 CD LYS A 60 -4.300 -7.079 7.912 1.00 0.00 C ATOM 962 CE LYS A 60 -5.362 -6.966 8.996 1.00 0.00 C ATOM 963 NZ LYS A 60 -6.715 -7.320 8.495 1.00 0.00 N ATOM 0 H LYS A 60 -3.586 -3.770 6.158 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.634 -5.279 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.519 -7.202 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.466 -6.140 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.497 -5.059 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.501 -6.215 6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.312 -8.087 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.315 -6.927 8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.101 -7.621 9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.375 -5.948 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.377 -7.377 9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.040 -6.591 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.676 -8.240 8.011 1.00 0.00 H new ATOM 977 N ILE A 61 -4.477 -5.959 2.542 1.00 0.00 N ATOM 978 CA ILE A 61 -5.501 -6.185 1.540 1.00 0.00 C ATOM 979 C ILE A 61 -5.967 -7.625 1.609 1.00 0.00 C ATOM 980 O ILE A 61 -5.156 -8.545 1.548 1.00 0.00 O ATOM 981 CB ILE A 61 -4.967 -5.903 0.117 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.463 -4.462 0.009 1.00 0.00 C ATOM 983 CG2 ILE A 61 -6.039 -6.178 -0.930 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.847 -4.130 -1.334 1.00 0.00 C ATOM 0 H ILE A 61 -3.546 -6.269 2.262 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.328 -5.505 1.745 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.130 -6.576 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.294 -3.781 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.724 -4.286 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.639 -5.972 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.345 -7.222 -0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.901 -5.536 -0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.513 -3.092 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.995 -4.785 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.589 -4.273 -2.120 1.00 0.00 H new ATOM 996 N ARG A 62 -7.259 -7.824 1.749 1.00 0.00 N ATOM 997 CA ARG A 62 -7.793 -9.167 1.824 1.00 0.00 C ATOM 998 C ARG A 62 -8.564 -9.500 0.558 1.00 0.00 C ATOM 999 O ARG A 62 -9.297 -8.668 0.025 1.00 0.00 O ATOM 1000 CB ARG A 62 -8.683 -9.329 3.057 1.00 0.00 C ATOM 1001 CG ARG A 62 -9.212 -10.740 3.237 1.00 0.00 C ATOM 1002 CD ARG A 62 -9.950 -10.898 4.553 1.00 0.00 C ATOM 1003 NE ARG A 62 -9.055 -10.830 5.710 1.00 0.00 N ATOM 1004 CZ ARG A 62 -9.452 -11.028 6.964 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -10.732 -11.247 7.235 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -8.573 -11.001 7.956 1.00 0.00 N ATOM 0 H ARG A 62 -7.955 -7.081 1.813 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.960 -9.864 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.117 -9.045 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.524 -8.640 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.881 -10.986 2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.384 -11.447 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.707 -10.118 4.637 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.474 -11.853 4.559 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.071 -10.619 5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.417 -11.264 6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.031 -11.398 8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.587 -10.828 7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.882 -11.153 8.916 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.362 -10.708 0.067 1.00 0.00 N ATOM 1021 CA LYS A 63 -9.087 -11.196 -1.088 1.00 0.00 C ATOM 1022 C LYS A 63 -10.427 -11.776 -0.669 1.00 0.00 C ATOM 1023 O LYS A 63 -10.548 -12.373 0.399 1.00 0.00 O ATOM 1024 CB LYS A 63 -8.280 -12.287 -1.801 1.00 0.00 C ATOM 1025 CG LYS A 63 -7.241 -11.756 -2.772 1.00 0.00 C ATOM 1026 CD LYS A 63 -6.288 -12.850 -3.240 1.00 0.00 C ATOM 1027 CE LYS A 63 -7.013 -14.039 -3.857 1.00 0.00 C ATOM 1028 NZ LYS A 63 -7.523 -13.752 -5.225 1.00 0.00 N ATOM 0 H LYS A 63 -7.695 -11.374 0.456 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.248 -10.356 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.781 -12.902 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.968 -12.938 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.742 -11.317 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.672 -10.959 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.595 -12.434 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.692 -13.193 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.335 -14.892 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.846 -14.324 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.007 -14.593 -5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.191 -12.956 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.727 -13.506 -5.848 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.426 -11.597 -1.523 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.698 -12.295 -1.371 1.00 0.00 C ATOM 1044 C LEU A 64 -12.507 -13.746 -1.771 1.00 0.00 C ATOM 1045 O LEU A 64 -13.416 -14.570 -1.645 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.783 -11.659 -2.243 1.00 0.00 C ATOM 1047 CG LEU A 64 -14.204 -10.250 -1.839 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -15.281 -9.728 -2.777 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.698 -10.239 -0.403 1.00 0.00 C ATOM 0 H LEU A 64 -11.381 -10.974 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.018 -12.226 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.428 -11.633 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.663 -12.302 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.337 -9.594 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.570 -8.721 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.895 -9.704 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.151 -10.384 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.995 -9.227 -0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.554 -10.907 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.900 -10.575 0.259 1.00 0.00 H new ATOM 1061 N ASP A 65 -11.306 -14.015 -2.290 1.00 0.00 N ATOM 1062 CA ASP A 65 -10.873 -15.348 -2.712 1.00 0.00 C ATOM 1063 C ASP A 65 -11.553 -15.746 -4.015 1.00 0.00 C ATOM 1064 O ASP A 65 -10.892 -16.052 -5.003 1.00 0.00 O ATOM 1065 CB ASP A 65 -11.137 -16.385 -1.620 1.00 0.00 C ATOM 1066 CG ASP A 65 -10.354 -17.660 -1.830 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -9.145 -17.676 -1.518 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -10.949 -18.660 -2.281 1.00 0.00 O ATOM 0 H ASP A 65 -10.594 -13.298 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.797 -15.314 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.879 -15.960 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.202 -16.617 -1.594 1.00 0.00 H new ATOM 1073 N SER A 66 -12.875 -15.710 -4.014 1.00 0.00 N ATOM 1074 CA SER A 66 -13.655 -16.014 -5.198 1.00 0.00 C ATOM 1075 C SER A 66 -14.232 -14.727 -5.787 1.00 0.00 C ATOM 1076 O SER A 66 -15.260 -14.744 -6.467 1.00 0.00 O ATOM 1077 CB SER A 66 -14.780 -16.975 -4.831 1.00 0.00 C ATOM 1078 OG SER A 66 -14.274 -18.122 -4.166 1.00 0.00 O ATOM 0 H SER A 66 -13.434 -15.470 -3.195 1.00 0.00 H new ATOM 0 HA SER A 66 -13.013 -16.482 -5.945 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.501 -16.468 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.312 -17.278 -5.733 1.00 0.00 H new ATOM 0 HG SER A 66 -15.015 -18.722 -3.939 1.00 0.00 H new ATOM 1084 N GLY A 67 -13.569 -13.612 -5.508 1.00 0.00 N ATOM 1085 CA GLY A 67 -14.036 -12.333 -5.996 1.00 0.00 C ATOM 1086 C GLY A 67 -12.901 -11.372 -6.262 1.00 0.00 C ATOM 1087 O GLY A 67 -12.132 -11.554 -7.204 1.00 0.00 O ATOM 0 H GLY A 67 -12.715 -13.573 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.605 -12.482 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.717 -11.895 -5.266 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.768 -10.366 -5.411 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.788 -9.328 -5.649 1.00 0.00 C ATOM 1093 C GLY A 68 -10.904 -9.058 -4.453 1.00 0.00 C ATOM 1094 O GLY A 68 -10.744 -9.911 -3.578 1.00 0.00 O ATOM 0 H GLY A 68 -13.320 -10.250 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.165 -9.613 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.303 -8.408 -5.927 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.341 -7.862 -4.424 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.425 -7.441 -3.375 1.00 0.00 C ATOM 1100 C PHE A 69 -10.010 -6.228 -2.661 1.00 0.00 C ATOM 1101 O PHE A 69 -10.617 -5.365 -3.302 1.00 0.00 O ATOM 1102 CB PHE A 69 -8.065 -7.051 -3.974 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.468 -8.072 -4.903 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -7.889 -8.163 -6.221 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -6.470 -8.926 -4.465 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -7.333 -9.090 -7.080 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -5.910 -9.856 -5.320 1.00 0.00 C ATOM 1108 CZ PHE A 69 -6.342 -9.936 -6.629 1.00 0.00 C ATOM 0 H PHE A 69 -10.508 -7.149 -5.134 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.286 -8.267 -2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.178 -6.111 -4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.364 -6.868 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.662 -7.500 -6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.125 -8.865 -3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.674 -9.152 -8.103 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.135 -10.519 -4.965 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.904 -10.661 -7.299 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.846 -6.151 -1.350 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.309 -4.984 -0.623 1.00 0.00 C ATOM 1120 C TYR A 70 -9.399 -4.659 0.553 1.00 0.00 C ATOM 1121 O TYR A 70 -8.950 -5.545 1.285 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.760 -5.164 -0.152 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.968 -6.179 0.955 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -12.204 -7.521 0.674 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -11.949 -5.786 2.290 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -12.414 -8.436 1.689 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -12.152 -6.694 3.305 1.00 0.00 C ATOM 1128 CZ TYR A 70 -12.385 -8.016 3.001 1.00 0.00 C ATOM 1129 OH TYR A 70 -12.600 -8.914 4.020 1.00 0.00 O ATOM 0 H TYR A 70 -9.404 -6.870 -0.777 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.276 -4.140 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.135 -4.199 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.367 -5.457 -1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.223 -7.853 -0.353 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.772 -4.749 2.534 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.600 -9.474 1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.129 -6.370 4.335 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.543 -8.451 4.882 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.105 -3.374 0.694 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.371 -2.869 1.842 1.00 0.00 C ATOM 1141 C ILE A 71 -9.336 -2.659 2.997 1.00 0.00 C ATOM 1142 O ILE A 71 -9.094 -3.086 4.127 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.667 -1.532 1.515 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.584 -1.747 0.456 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.077 -0.910 2.773 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -5.866 -0.478 0.048 1.00 0.00 C ATOM 0 H ILE A 71 -9.368 -2.656 0.018 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.608 -3.599 2.111 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.408 -0.841 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.853 -2.460 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.037 -2.197 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.587 0.030 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.873 -0.721 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.348 -1.593 3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.114 -0.712 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.585 0.230 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.382 -0.037 0.920 1.00 0.00 H new ATOM 1158 N THR A 72 -10.437 -2.000 2.693 1.00 0.00 N ATOM 1159 CA THR A 72 -11.490 -1.779 3.657 1.00 0.00 C ATOM 1160 C THR A 72 -12.766 -2.448 3.157 1.00 0.00 C ATOM 1161 O THR A 72 -12.969 -2.583 1.947 1.00 0.00 O ATOM 1162 CB THR A 72 -11.715 -0.268 3.886 1.00 0.00 C ATOM 1163 OG1 THR A 72 -12.702 -0.054 4.901 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.134 0.425 2.599 1.00 0.00 C ATOM 0 H THR A 72 -10.624 -1.604 1.772 1.00 0.00 H new ATOM 0 HA THR A 72 -11.204 -2.216 4.614 1.00 0.00 H new ATOM 0 HB THR A 72 -10.769 0.162 4.216 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.831 0.908 5.034 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.285 1.487 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.355 0.299 1.848 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.063 -0.014 2.235 1.00 0.00 H new ATOM 1172 N SER A 73 -13.616 -2.874 4.075 1.00 0.00 N ATOM 1173 CA SER A 73 -14.797 -3.652 3.725 1.00 0.00 C ATOM 1174 C SER A 73 -15.940 -2.756 3.241 1.00 0.00 C ATOM 1175 O SER A 73 -17.065 -2.849 3.732 1.00 0.00 O ATOM 1176 CB SER A 73 -15.241 -4.473 4.934 1.00 0.00 C ATOM 1177 OG SER A 73 -14.192 -5.313 5.390 1.00 0.00 O ATOM 0 H SER A 73 -13.512 -2.694 5.074 1.00 0.00 H new ATOM 0 HA SER A 73 -14.537 -4.320 2.904 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.552 -3.805 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.108 -5.079 4.669 1.00 0.00 H new ATOM 0 HG SER A 73 -13.770 -5.754 4.624 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.649 -1.887 2.276 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.664 -0.990 1.733 1.00 0.00 C ATOM 1185 C ARG A 74 -16.571 -0.944 0.211 1.00 0.00 C ATOM 1186 O ARG A 74 -17.360 -1.587 -0.485 1.00 0.00 O ATOM 1187 CB ARG A 74 -16.526 0.423 2.318 1.00 0.00 C ATOM 1188 CG ARG A 74 -15.812 0.469 3.661 1.00 0.00 C ATOM 1189 CD ARG A 74 -16.000 1.805 4.355 1.00 0.00 C ATOM 1190 NE ARG A 74 -15.730 2.935 3.473 1.00 0.00 N ATOM 1191 CZ ARG A 74 -16.150 4.173 3.717 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -16.819 4.433 4.833 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -15.912 5.147 2.850 1.00 0.00 N ATOM 0 H ARG A 74 -14.725 -1.786 1.857 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.643 -1.378 2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.984 1.048 1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.519 0.857 2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.189 -0.329 4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.748 0.283 3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.021 1.876 4.729 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.339 1.858 5.220 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.190 2.767 2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.009 3.685 5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -17.143 5.381 5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.403 4.950 1.988 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -16.238 6.094 3.045 1.00 0.00 H new ATOM 1207 N THR A 75 -15.594 -0.205 -0.304 1.00 0.00 N ATOM 1208 CA THR A 75 -15.390 -0.106 -1.741 1.00 0.00 C ATOM 1209 C THR A 75 -14.352 -1.130 -2.193 1.00 0.00 C ATOM 1210 O THR A 75 -13.152 -0.962 -1.973 1.00 0.00 O ATOM 1211 CB THR A 75 -14.947 1.315 -2.144 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.848 2.283 -1.583 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.917 1.469 -3.660 1.00 0.00 C ATOM 0 H THR A 75 -14.932 0.334 0.254 1.00 0.00 H new ATOM 0 HA THR A 75 -16.339 -0.316 -2.235 1.00 0.00 H new ATOM 0 HB THR A 75 -13.941 1.480 -1.759 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.485 3.184 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.601 2.480 -3.917 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.215 0.751 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.913 1.286 -4.064 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.823 -2.197 -2.817 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.966 -3.316 -3.179 1.00 0.00 C ATOM 1223 C GLN A 76 -13.789 -3.394 -4.690 1.00 0.00 C ATOM 1224 O GLN A 76 -14.681 -3.004 -5.448 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.573 -4.616 -2.651 1.00 0.00 C ATOM 1226 CG GLN A 76 -14.950 -4.545 -1.179 1.00 0.00 C ATOM 1227 CD GLN A 76 -15.515 -5.846 -0.648 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -15.164 -6.927 -1.112 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -16.395 -5.746 0.335 1.00 0.00 N ATOM 0 H GLN A 76 -15.800 -2.313 -3.085 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.984 -3.166 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.460 -4.859 -3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.861 -5.428 -2.799 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.069 -4.274 -0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.684 -3.752 -1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.659 -4.828 0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.809 -6.587 0.736 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.642 -3.902 -5.124 1.00 0.00 N ATOM 1239 CA PHE A 77 -12.337 -4.000 -6.547 1.00 0.00 C ATOM 1240 C PHE A 77 -11.876 -5.400 -6.907 1.00 0.00 C ATOM 1241 O PHE A 77 -11.138 -6.033 -6.160 1.00 0.00 O ATOM 1242 CB PHE A 77 -11.273 -2.978 -6.945 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.777 -1.569 -6.909 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.470 -1.048 -7.988 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.576 -0.772 -5.796 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.951 0.244 -7.959 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -12.058 0.518 -5.761 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.747 1.027 -6.843 1.00 0.00 C ATOM 0 H PHE A 77 -11.907 -4.253 -4.511 1.00 0.00 H new ATOM 0 HA PHE A 77 -13.252 -3.784 -7.099 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.419 -3.070 -6.274 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.916 -3.205 -7.949 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.636 -1.660 -8.862 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -11.036 -1.165 -4.947 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.486 0.641 -8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.897 1.131 -4.887 1.00 0.00 H new ATOM 0 HZ PHE A 77 -13.126 2.038 -6.815 1.00 0.00 H new ATOM 1258 N SER A 78 -12.298 -5.868 -8.066 1.00 0.00 N ATOM 1259 CA SER A 78 -12.001 -7.225 -8.499 1.00 0.00 C ATOM 1260 C SER A 78 -10.612 -7.324 -9.139 1.00 0.00 C ATOM 1261 O SER A 78 -10.325 -8.264 -9.881 1.00 0.00 O ATOM 1262 CB SER A 78 -13.086 -7.692 -9.466 1.00 0.00 C ATOM 1263 OG SER A 78 -14.376 -7.499 -8.899 1.00 0.00 O ATOM 0 H SER A 78 -12.851 -5.327 -8.730 1.00 0.00 H new ATOM 0 HA SER A 78 -11.991 -7.877 -7.625 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.008 -7.141 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.941 -8.746 -9.703 1.00 0.00 H new ATOM 0 HG SER A 78 -15.060 -7.802 -9.532 1.00 0.00 H new ATOM 1269 N SER A 79 -9.753 -6.355 -8.842 1.00 0.00 N ATOM 1270 CA SER A 79 -8.382 -6.363 -9.326 1.00 0.00 C ATOM 1271 C SER A 79 -7.571 -5.304 -8.576 1.00 0.00 C ATOM 1272 O SER A 79 -8.137 -4.386 -7.979 1.00 0.00 O ATOM 1273 CB SER A 79 -8.346 -6.105 -10.832 1.00 0.00 C ATOM 1274 OG SER A 79 -7.061 -6.371 -11.368 1.00 0.00 O ATOM 0 H SER A 79 -9.987 -5.549 -8.263 1.00 0.00 H new ATOM 0 HA SER A 79 -7.942 -7.343 -9.142 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.087 -6.732 -11.329 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.619 -5.069 -11.033 1.00 0.00 H new ATOM 0 HG SER A 79 -7.067 -6.199 -12.333 1.00 0.00 H new ATOM 1280 N LEU A 80 -6.247 -5.437 -8.619 1.00 0.00 N ATOM 1281 CA LEU A 80 -5.360 -4.613 -7.798 1.00 0.00 C ATOM 1282 C LEU A 80 -5.072 -3.258 -8.433 1.00 0.00 C ATOM 1283 O LEU A 80 -4.917 -2.266 -7.726 1.00 0.00 O ATOM 1284 CB LEU A 80 -4.042 -5.343 -7.524 1.00 0.00 C ATOM 1285 CG LEU A 80 -4.118 -6.477 -6.499 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.786 -7.205 -6.409 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.516 -5.937 -5.133 1.00 0.00 C ATOM 0 H LEU A 80 -5.763 -6.109 -9.215 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.882 -4.435 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.670 -5.751 -8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.308 -4.614 -7.180 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.879 -7.184 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.859 -8.008 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.534 -7.625 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.008 -6.505 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.565 -6.758 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.776 -5.209 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.492 -5.457 -5.202 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.991 -3.213 -9.759 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.735 -1.957 -10.457 1.00 0.00 C ATOM 1301 C GLN A 81 -5.934 -1.029 -10.292 1.00 0.00 C ATOM 1302 O GLN A 81 -5.783 0.160 -10.021 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.465 -2.209 -11.941 1.00 0.00 C ATOM 1304 CG GLN A 81 -3.254 -1.472 -12.505 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.283 0.026 -12.257 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -2.727 0.517 -11.277 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.936 0.763 -13.138 1.00 0.00 N ATOM 0 H GLN A 81 -5.098 -4.024 -10.368 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.851 -1.488 -10.025 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.325 -3.279 -12.094 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.347 -1.918 -12.511 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.348 -1.887 -12.063 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.197 -1.653 -13.578 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.386 0.321 -13.940 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.991 1.774 -13.016 1.00 0.00 H new ATOM 1316 N GLN A 82 -7.128 -1.600 -10.444 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.374 -0.869 -10.214 1.00 0.00 C ATOM 1318 C GLN A 82 -8.409 -0.310 -8.794 1.00 0.00 C ATOM 1319 O GLN A 82 -8.917 0.785 -8.555 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.581 -1.790 -10.432 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.649 -2.395 -11.826 1.00 0.00 C ATOM 1322 CD GLN A 82 -10.800 -3.374 -11.997 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -10.701 -4.336 -12.759 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -11.907 -3.131 -11.312 1.00 0.00 N ATOM 0 H GLN A 82 -7.259 -2.571 -10.727 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.421 -0.043 -10.924 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.549 -2.595 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.495 -1.226 -10.246 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.750 -1.594 -12.558 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.710 -2.906 -12.040 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.955 -2.325 -10.689 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.712 -3.750 -11.407 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.860 -1.085 -7.864 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.801 -0.707 -6.460 1.00 0.00 C ATOM 1335 C LEU A 83 -6.977 0.570 -6.279 1.00 0.00 C ATOM 1336 O LEU A 83 -7.499 1.600 -5.852 1.00 0.00 O ATOM 1337 CB LEU A 83 -7.215 -1.882 -5.648 1.00 0.00 C ATOM 1338 CG LEU A 83 -7.120 -1.720 -4.120 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.922 -0.864 -3.728 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.406 -1.130 -3.562 1.00 0.00 C ATOM 0 H LEU A 83 -7.443 -1.994 -8.065 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.805 -0.494 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.818 -2.766 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.213 -2.084 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.978 -2.711 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.883 -0.768 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.006 -1.335 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.019 0.125 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.318 -1.024 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.582 -0.152 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.241 -1.791 -3.795 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.696 0.498 -6.634 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.774 1.611 -6.416 1.00 0.00 C ATOM 1354 C VAL A 84 -5.162 2.851 -7.214 1.00 0.00 C ATOM 1355 O VAL A 84 -5.116 3.968 -6.699 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.315 1.228 -6.747 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.661 0.532 -5.564 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.249 0.334 -7.971 1.00 0.00 C ATOM 0 H VAL A 84 -5.273 -0.319 -7.074 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.845 1.846 -5.354 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.772 2.149 -6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.634 0.271 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.663 1.200 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.217 -0.374 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.210 0.080 -8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.815 -0.579 -7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.674 0.857 -8.827 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.535 2.647 -8.468 1.00 0.00 N ATOM 1369 CA ALA A 85 -5.942 3.745 -9.343 1.00 0.00 C ATOM 1370 C ALA A 85 -7.089 4.554 -8.740 1.00 0.00 C ATOM 1371 O ALA A 85 -7.062 5.785 -8.749 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.336 3.217 -10.713 1.00 0.00 C ATOM 0 H ALA A 85 -5.566 1.727 -8.908 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.086 4.411 -9.451 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.636 4.048 -11.351 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.487 2.703 -11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.168 2.521 -10.609 1.00 0.00 H new ATOM 1378 N TYR A 86 -8.093 3.867 -8.210 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.251 4.544 -7.634 1.00 0.00 C ATOM 1380 C TYR A 86 -8.911 5.148 -6.276 1.00 0.00 C ATOM 1381 O TYR A 86 -9.286 6.287 -5.979 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.419 3.568 -7.500 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.681 4.188 -6.935 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.523 4.948 -7.735 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -12.034 4.000 -5.604 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.682 5.502 -7.225 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -13.190 4.550 -5.088 1.00 0.00 C ATOM 1388 CZ TYR A 86 -14.009 5.301 -5.901 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.166 5.845 -5.391 1.00 0.00 O ATOM 0 H TYR A 86 -8.131 2.849 -8.166 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.540 5.354 -8.304 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.641 3.147 -8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.115 2.740 -6.859 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.269 5.109 -8.772 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.393 3.414 -4.963 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.328 6.089 -7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.451 4.392 -4.052 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.955 6.677 -4.918 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.181 4.389 -5.464 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.798 4.835 -4.127 1.00 0.00 C ATOM 1401 C TYR A 87 -6.768 5.961 -4.186 1.00 0.00 C ATOM 1402 O TYR A 87 -6.374 6.510 -3.159 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.255 3.665 -3.302 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.324 2.809 -2.647 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.576 2.635 -3.225 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.074 2.178 -1.438 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.544 1.857 -2.614 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.033 1.400 -0.822 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.265 1.240 -1.411 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.218 0.464 -0.791 1.00 0.00 O ATOM 0 H TYR A 87 -7.842 3.459 -5.709 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.694 5.223 -3.642 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.646 3.033 -3.948 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.596 4.058 -2.527 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.797 3.115 -4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.109 2.298 -0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.512 1.733 -3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.816 0.918 0.120 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.738 -0.018 -1.467 1.00 0.00 H new ATOM 1420 N SER A 88 -6.325 6.294 -5.392 1.00 0.00 N ATOM 1421 CA SER A 88 -5.452 7.435 -5.595 1.00 0.00 C ATOM 1422 C SER A 88 -6.234 8.727 -5.377 1.00 0.00 C ATOM 1423 O SER A 88 -5.682 9.748 -4.964 1.00 0.00 O ATOM 1424 CB SER A 88 -4.851 7.403 -7.002 1.00 0.00 C ATOM 1425 OG SER A 88 -3.932 8.468 -7.197 1.00 0.00 O ATOM 0 H SER A 88 -6.559 5.786 -6.245 1.00 0.00 H new ATOM 0 HA SER A 88 -4.635 7.390 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.346 6.451 -7.162 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.649 7.469 -7.742 1.00 0.00 H new ATOM 0 HG SER A 88 -3.330 8.526 -6.426 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.530 8.674 -5.654 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.399 9.819 -5.442 1.00 0.00 C ATOM 1433 C LYS A 89 -9.298 9.595 -4.240 1.00 0.00 C ATOM 1434 O LYS A 89 -9.411 10.457 -3.372 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.244 10.108 -6.681 1.00 0.00 C ATOM 1436 CG LYS A 89 -8.464 10.776 -7.801 1.00 0.00 C ATOM 1437 CD LYS A 89 -9.372 11.173 -8.953 1.00 0.00 C ATOM 1438 CE LYS A 89 -10.484 12.111 -8.501 1.00 0.00 C ATOM 1439 NZ LYS A 89 -9.962 13.407 -7.983 1.00 0.00 N ATOM 0 H LYS A 89 -8.001 7.849 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.764 10.684 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.666 9.173 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.081 10.747 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.957 11.660 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.691 10.097 -8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.782 11.658 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.809 10.278 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.156 12.302 -9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.073 11.623 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.758 14.035 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.396 13.236 -7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.366 13.856 -8.708 1.00 0.00 H new ATOM 1453 N HIS A 90 -9.922 8.429 -4.190 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.823 8.088 -3.098 1.00 0.00 C ATOM 1455 C HIS A 90 -10.178 7.060 -2.185 1.00 0.00 C ATOM 1456 O HIS A 90 -10.127 5.878 -2.516 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.147 7.534 -3.634 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.063 8.568 -4.214 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.394 8.658 -3.870 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -12.846 9.541 -5.130 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -14.955 9.640 -4.549 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -14.039 10.193 -5.321 1.00 0.00 N ATOM 0 H HIS A 90 -9.821 7.699 -4.896 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.026 8.998 -2.534 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.931 6.788 -4.399 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.666 7.020 -2.825 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.909 9.763 -5.619 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.990 9.941 -4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -14.192 10.977 -5.956 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.683 7.513 -1.044 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.033 6.625 -0.089 1.00 0.00 C ATOM 1473 C ALA A 91 -10.044 5.671 0.539 1.00 0.00 C ATOM 1474 O ALA A 91 -9.734 4.508 0.801 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.333 7.434 0.989 1.00 0.00 C ATOM 0 H ALA A 91 -9.718 8.491 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.290 6.033 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.852 6.758 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.581 8.076 0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.064 8.049 1.515 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.247 6.197 0.780 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.385 5.427 1.297 1.00 0.00 C ATOM 1483 C ASP A 92 -12.156 4.981 2.742 1.00 0.00 C ATOM 1484 O ASP A 92 -12.786 5.502 3.660 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.693 4.217 0.403 1.00 0.00 C ATOM 1486 CG ASP A 92 -14.041 3.596 0.720 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -15.074 4.197 0.354 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -14.088 2.513 1.329 1.00 0.00 O ATOM 0 H ASP A 92 -11.463 7.181 0.620 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.250 6.090 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.674 4.526 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -11.912 3.467 0.528 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.259 4.026 2.935 1.00 0.00 N ATOM 1494 CA GLY A 93 -10.954 3.542 4.268 1.00 0.00 C ATOM 1495 C GLY A 93 -9.673 4.147 4.809 1.00 0.00 C ATOM 1496 O GLY A 93 -9.576 4.468 5.995 1.00 0.00 O ATOM 0 H GLY A 93 -10.733 3.574 2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.780 3.780 4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.863 2.456 4.248 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.686 4.287 3.932 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.419 4.909 4.276 1.00 0.00 C ATOM 1502 C LEU A 94 -7.624 6.368 4.666 1.00 0.00 C ATOM 1503 O LEU A 94 -8.505 7.044 4.139 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.450 4.830 3.088 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.102 3.417 2.607 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.208 2.833 1.748 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.787 3.422 1.846 1.00 0.00 C ATOM 0 H LEU A 94 -8.744 3.972 2.964 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.997 4.372 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.882 5.382 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.526 5.339 3.362 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.996 2.785 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.927 1.831 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.130 2.782 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.363 3.466 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.556 2.410 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.870 4.080 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.990 3.780 2.498 1.00 0.00 H new ATOM 1519 N CYS A 95 -6.807 6.840 5.597 1.00 0.00 N ATOM 1520 CA CYS A 95 -6.864 8.233 6.021 1.00 0.00 C ATOM 1521 C CYS A 95 -6.131 9.122 5.021 1.00 0.00 C ATOM 1522 O CYS A 95 -6.286 10.344 5.022 1.00 0.00 O ATOM 1523 CB CYS A 95 -6.254 8.389 7.414 1.00 0.00 C ATOM 1524 SG CYS A 95 -7.060 7.385 8.686 1.00 0.00 S ATOM 0 H CYS A 95 -6.098 6.281 6.072 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.909 8.541 6.061 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.198 8.122 7.369 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.305 9.438 7.707 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.474 7.581 9.830 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.329 8.498 4.172 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.600 9.206 3.130 1.00 0.00 C ATOM 1532 C HIS A 96 -4.754 8.460 1.816 1.00 0.00 C ATOM 1533 O HIS A 96 -4.647 7.234 1.784 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.114 9.334 3.483 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.843 10.187 4.685 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -2.764 11.553 4.593 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -2.634 9.820 5.971 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.510 11.983 5.817 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -2.419 10.971 6.688 1.00 0.00 N ATOM 0 H HIS A 96 -5.165 7.491 4.185 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.013 10.211 3.039 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.706 8.339 3.658 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.583 9.751 2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.636 8.812 6.360 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.391 13.023 6.082 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.228 11.041 7.687 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.019 9.187 0.742 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.202 8.565 -0.560 1.00 0.00 C ATOM 1549 C ARG A 97 -3.860 8.354 -1.247 1.00 0.00 C ATOM 1550 O ARG A 97 -2.899 9.089 -1.005 1.00 0.00 O ATOM 1551 CB ARG A 97 -6.141 9.388 -1.453 1.00 0.00 C ATOM 1552 CG ARG A 97 -5.692 10.817 -1.724 1.00 0.00 C ATOM 1553 CD ARG A 97 -6.094 11.758 -0.600 1.00 0.00 C ATOM 1554 NE ARG A 97 -5.976 13.157 -1.000 1.00 0.00 N ATOM 1555 CZ ARG A 97 -6.562 14.163 -0.356 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -7.223 13.935 0.775 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -6.460 15.397 -0.830 1.00 0.00 N ATOM 0 H ARG A 97 -5.112 10.203 0.745 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.668 7.593 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.253 8.873 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.126 9.416 -0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.609 10.840 -1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.128 11.163 -2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.121 11.550 -0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.465 11.574 0.271 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.412 13.376 -1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.281 12.988 1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.672 14.707 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.934 15.573 -1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.908 16.171 -0.339 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.813 7.345 -2.104 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.579 6.928 -2.753 1.00 0.00 C ATOM 1573 C LEU A 98 -2.087 7.994 -3.725 1.00 0.00 C ATOM 1574 O LEU A 98 -2.596 8.125 -4.837 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.810 5.602 -3.480 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.407 4.488 -2.613 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.570 3.212 -3.418 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.536 4.236 -1.394 1.00 0.00 C ATOM 0 H LEU A 98 -4.629 6.793 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.809 6.792 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.473 5.779 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.860 5.257 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.392 4.810 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.995 2.434 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.235 3.397 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.597 2.888 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.976 3.442 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.538 3.937 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.468 5.148 -0.800 1.00 0.00 H new ATOM 1590 N THR A 99 -1.093 8.753 -3.297 1.00 0.00 N ATOM 1591 CA THR A 99 -0.598 9.874 -4.078 1.00 0.00 C ATOM 1592 C THR A 99 0.553 9.450 -4.993 1.00 0.00 C ATOM 1593 O THR A 99 0.440 9.511 -6.220 1.00 0.00 O ATOM 1594 CB THR A 99 -0.137 11.013 -3.152 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.174 11.308 -2.207 1.00 0.00 O ATOM 1596 CG2 THR A 99 0.197 12.268 -3.949 1.00 0.00 C ATOM 0 H THR A 99 -0.611 8.613 -2.409 1.00 0.00 H new ATOM 0 HA THR A 99 -1.418 10.229 -4.702 1.00 0.00 H new ATOM 0 HB THR A 99 0.763 10.689 -2.630 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.881 12.032 -1.615 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.520 13.056 -3.269 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.998 12.048 -4.655 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.687 12.599 -4.494 1.00 0.00 H new ATOM 1604 N ASN A 100 1.646 9.008 -4.394 1.00 0.00 N ATOM 1605 CA ASN A 100 2.829 8.624 -5.152 1.00 0.00 C ATOM 1606 C ASN A 100 3.356 7.292 -4.644 1.00 0.00 C ATOM 1607 O ASN A 100 3.222 6.971 -3.465 1.00 0.00 O ATOM 1608 CB ASN A 100 3.913 9.708 -5.048 1.00 0.00 C ATOM 1609 CG ASN A 100 4.412 9.919 -3.629 1.00 0.00 C ATOM 1610 OD1 ASN A 100 3.814 10.665 -2.854 1.00 0.00 O ATOM 1611 ND2 ASN A 100 5.524 9.290 -3.287 1.00 0.00 N ATOM 0 H ASN A 100 1.741 8.905 -3.384 1.00 0.00 H new ATOM 0 HA ASN A 100 2.556 8.518 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.754 9.435 -5.685 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.516 10.648 -5.430 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.914 9.415 -2.353 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.991 8.679 -3.957 1.00 0.00 H new ATOM 1618 N VAL A 101 3.936 6.511 -5.535 1.00 0.00 N ATOM 1619 CA VAL A 101 4.423 5.192 -5.174 1.00 0.00 C ATOM 1620 C VAL A 101 5.882 5.270 -4.733 1.00 0.00 C ATOM 1621 O VAL A 101 6.618 6.167 -5.157 1.00 0.00 O ATOM 1622 CB VAL A 101 4.296 4.196 -6.348 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.285 2.768 -5.828 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.049 4.469 -7.175 1.00 0.00 C ATOM 0 H VAL A 101 4.082 6.765 -6.512 1.00 0.00 H new ATOM 0 HA VAL A 101 3.807 4.831 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 101 5.162 4.330 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.195 2.076 -6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.213 2.569 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.439 2.633 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.990 3.751 -7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.166 4.373 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.096 5.479 -7.582 1.00 0.00 H new ATOM 1634 N CYS A 102 6.274 4.345 -3.865 1.00 0.00 N ATOM 1635 CA CYS A 102 7.634 4.282 -3.351 1.00 0.00 C ATOM 1636 C CYS A 102 8.643 4.136 -4.488 1.00 0.00 C ATOM 1637 O CYS A 102 8.541 3.227 -5.311 1.00 0.00 O ATOM 1638 CB CYS A 102 7.774 3.117 -2.369 1.00 0.00 C ATOM 1639 SG CYS A 102 9.419 2.963 -1.630 1.00 0.00 S ATOM 0 H CYS A 102 5.658 3.619 -3.499 1.00 0.00 H new ATOM 0 HA CYS A 102 7.843 5.215 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.040 3.238 -1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.532 2.189 -2.887 1.00 0.00 H new ATOM 0 HG CYS A 102 10.324 3.205 -2.531 1.00 0.00 H new ATOM 1645 N PRO A 103 9.621 5.048 -4.552 1.00 0.00 N ATOM 1646 CA PRO A 103 10.658 5.038 -5.569 1.00 0.00 C ATOM 1647 C PRO A 103 11.877 4.221 -5.145 1.00 0.00 C ATOM 1648 O PRO A 103 11.929 3.677 -4.038 1.00 0.00 O ATOM 1649 CB PRO A 103 11.027 6.523 -5.704 1.00 0.00 C ATOM 1650 CG PRO A 103 10.394 7.231 -4.538 1.00 0.00 C ATOM 1651 CD PRO A 103 9.798 6.180 -3.643 1.00 0.00 C ATOM 0 HA PRO A 103 10.319 4.580 -6.498 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.109 6.656 -5.697 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.662 6.929 -6.648 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.136 7.819 -3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.626 7.924 -4.881 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.459 5.933 -2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.851 6.505 -3.211 1.00 0.00 H new ATOM 1659 N THR A 104 12.851 4.133 -6.037 1.00 0.00 N ATOM 1660 CA THR A 104 14.087 3.425 -5.757 1.00 0.00 C ATOM 1661 C THR A 104 15.249 4.409 -5.633 1.00 0.00 C ATOM 1662 O THR A 104 15.408 5.295 -6.475 1.00 0.00 O ATOM 1663 CB THR A 104 14.393 2.387 -6.857 1.00 0.00 C ATOM 1664 OG1 THR A 104 14.250 2.984 -8.153 1.00 0.00 O ATOM 1665 CG2 THR A 104 13.467 1.183 -6.744 1.00 0.00 C ATOM 0 H THR A 104 12.807 4.547 -6.968 1.00 0.00 H new ATOM 0 HA THR A 104 13.964 2.898 -4.811 1.00 0.00 H new ATOM 0 HB THR A 104 15.421 2.048 -6.725 1.00 0.00 H new ATOM 0 HG1 THR A 104 14.639 3.884 -8.143 1.00 0.00 H new ATOM 0 HG21 THR A 104 13.704 0.467 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.601 0.711 -5.771 1.00 0.00 H new ATOM 0 HG23 THR A 104 12.432 1.509 -6.849 1.00 0.00 H new