USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 901 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 51 ASN : amide:sc= 0.622 K(o=1.1,f=-5!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 161:sc= 0.493 (180deg=-0.18) USER MOD Single : A 21 GLN : amide:sc= -2.24! C(o=-2.2!,f=-6.6!) USER MOD Single : A 22 CYS SG : rot 180:sc= -0.137 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.832 F(o=-1.7!,f=-0.83) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 47 SER OG : rot -37:sc= 0.00312 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 69:sc= 0.647 USER MOD Single : A 54 TYR OH : rot 0:sc= -0.604 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.88 K(o=-2.9,f=-8.4!) USER MOD Single : A 75 MET CE :methyl 161:sc= -4.99! (180deg=-5.35!) USER MOD Single : A 77 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.67) USER MOD Single : A 80 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 15:sc= -0.529 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 159:sc= -3.15 (180deg=-4.56!) USER MOD Single : A 97 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 102 TYR OH : rot 0:sc= -4.08! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -172:sc= -0.541 (180deg=-0.929) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 113 THR OG1 : rot -31:sc= 0.094 USER MOD Single : A 115 MET CE :methyl -119:sc= 0 (180deg=-0.00296) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N GLU A 9 10.959 -9.699 8.612 1.00 0.00 N ATOM 82 CA GLU A 9 11.436 -9.441 7.263 1.00 0.00 C ATOM 83 C GLU A 9 10.296 -8.913 6.390 1.00 0.00 C ATOM 84 O GLU A 9 10.436 -7.881 5.736 1.00 0.00 O ATOM 85 CB GLU A 9 12.059 -10.697 6.652 1.00 0.00 C ATOM 86 CG GLU A 9 13.387 -11.036 7.331 1.00 0.00 C ATOM 87 CD GLU A 9 14.179 -12.055 6.509 1.00 0.00 C ATOM 88 OE1 GLU A 9 14.618 -11.674 5.403 1.00 0.00 O ATOM 89 OE2 GLU A 9 14.327 -13.193 7.006 1.00 0.00 O ATOM 0 HA GLU A 9 12.213 -8.678 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.370 -11.535 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.220 -10.545 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.977 -10.128 7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.198 -11.435 8.328 1.00 0.00 H new ATOM 96 N LEU A 10 9.192 -9.646 6.408 1.00 0.00 N ATOM 97 CA LEU A 10 8.028 -9.265 5.625 1.00 0.00 C ATOM 98 C LEU A 10 7.843 -7.748 5.700 1.00 0.00 C ATOM 99 O LEU A 10 8.077 -7.041 4.721 1.00 0.00 O ATOM 100 CB LEU A 10 6.798 -10.057 6.073 1.00 0.00 C ATOM 101 CG LEU A 10 6.040 -10.798 4.971 1.00 0.00 C ATOM 102 CD1 LEU A 10 5.237 -11.966 5.547 1.00 0.00 C ATOM 103 CD2 LEU A 10 5.159 -9.837 4.170 1.00 0.00 C ATOM 0 H LEU A 10 9.079 -10.501 6.952 1.00 0.00 H new ATOM 0 HA LEU A 10 8.176 -9.517 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.112 -10.784 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.107 -9.371 6.563 1.00 0.00 H new ATOM 0 HG LEU A 10 6.769 -11.219 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.708 -12.476 4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.914 -12.666 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.517 -11.589 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.631 -10.390 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.436 -9.366 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.782 -9.070 3.710 1.00 0.00 H new ATOM 115 N GLU A 11 7.425 -7.292 6.872 1.00 0.00 N ATOM 116 CA GLU A 11 7.206 -5.871 7.087 1.00 0.00 C ATOM 117 C GLU A 11 8.450 -5.076 6.686 1.00 0.00 C ATOM 118 O GLU A 11 8.355 -4.104 5.938 1.00 0.00 O ATOM 119 CB GLU A 11 6.820 -5.590 8.541 1.00 0.00 C ATOM 120 CG GLU A 11 5.598 -4.673 8.616 1.00 0.00 C ATOM 121 CD GLU A 11 4.886 -4.817 9.962 1.00 0.00 C ATOM 122 OE1 GLU A 11 5.472 -4.356 10.966 1.00 0.00 O ATOM 123 OE2 GLU A 11 3.772 -5.385 9.958 1.00 0.00 O ATOM 0 H GLU A 11 7.232 -7.881 7.682 1.00 0.00 H new ATOM 0 HA GLU A 11 6.376 -5.551 6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.607 -6.529 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.659 -5.127 9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.907 -3.637 8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.908 -4.914 7.808 1.00 0.00 H new ATOM 130 N GLU A 12 9.587 -5.518 7.202 1.00 0.00 N ATOM 131 CA GLU A 12 10.848 -4.859 6.907 1.00 0.00 C ATOM 132 C GLU A 12 10.895 -4.434 5.438 1.00 0.00 C ATOM 133 O GLU A 12 11.157 -3.271 5.133 1.00 0.00 O ATOM 134 CB GLU A 12 12.033 -5.763 7.254 1.00 0.00 C ATOM 135 CG GLU A 12 11.990 -6.183 8.724 1.00 0.00 C ATOM 136 CD GLU A 12 13.233 -5.693 9.471 1.00 0.00 C ATOM 137 OE1 GLU A 12 14.343 -6.029 9.007 1.00 0.00 O ATOM 138 OE2 GLU A 12 13.043 -4.993 10.489 1.00 0.00 O ATOM 0 H GLU A 12 9.662 -6.324 7.822 1.00 0.00 H new ATOM 0 HA GLU A 12 10.921 -3.965 7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.018 -6.648 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.967 -5.239 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.095 -5.778 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.924 -7.269 8.794 1.00 0.00 H new ATOM 145 N ARG A 13 10.636 -5.398 4.568 1.00 0.00 N ATOM 146 CA ARG A 13 10.645 -5.138 3.138 1.00 0.00 C ATOM 147 C ARG A 13 9.489 -4.209 2.761 1.00 0.00 C ATOM 148 O ARG A 13 9.709 -3.133 2.207 1.00 0.00 O ATOM 149 CB ARG A 13 10.525 -6.439 2.341 1.00 0.00 C ATOM 150 CG ARG A 13 11.567 -6.493 1.221 1.00 0.00 C ATOM 151 CD ARG A 13 12.577 -7.616 1.466 1.00 0.00 C ATOM 152 NE ARG A 13 13.935 -7.049 1.624 1.00 0.00 N ATOM 153 CZ ARG A 13 14.357 -6.406 2.721 1.00 0.00 C ATOM 154 NH1 ARG A 13 13.531 -6.244 3.763 1.00 0.00 N ATOM 155 NH2 ARG A 13 15.607 -5.925 2.776 1.00 0.00 N ATOM 0 H ARG A 13 10.418 -6.361 4.825 1.00 0.00 H new ATOM 0 HA ARG A 13 11.594 -4.661 2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.657 -7.292 3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.524 -6.519 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.070 -6.649 0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.088 -5.538 1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.301 -8.176 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.562 -8.318 0.633 1.00 0.00 H new ATOM 0 HE ARG A 13 14.590 -7.154 0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.580 -6.610 3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.853 -5.754 4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.236 -6.049 1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.929 -5.435 3.611 1.00 0.00 H new ATOM 169 N LEU A 14 8.283 -4.658 3.076 1.00 0.00 N ATOM 170 CA LEU A 14 7.093 -3.880 2.776 1.00 0.00 C ATOM 171 C LEU A 14 7.354 -2.410 3.108 1.00 0.00 C ATOM 172 O LEU A 14 7.044 -1.526 2.310 1.00 0.00 O ATOM 173 CB LEU A 14 5.876 -4.466 3.494 1.00 0.00 C ATOM 174 CG LEU A 14 5.122 -5.568 2.747 1.00 0.00 C ATOM 175 CD1 LEU A 14 6.091 -6.484 1.998 1.00 0.00 C ATOM 176 CD2 LEU A 14 4.211 -6.349 3.695 1.00 0.00 C ATOM 0 H LEU A 14 8.104 -5.551 3.536 1.00 0.00 H new ATOM 0 HA LEU A 14 6.862 -3.931 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.203 -4.864 4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.179 -3.655 3.705 1.00 0.00 H new ATOM 0 HG LEU A 14 4.482 -5.098 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.529 -7.258 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.660 -5.899 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.775 -6.949 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.687 -7.126 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.811 -6.808 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.485 -5.671 4.143 1.00 0.00 H new ATOM 188 N VAL A 15 7.921 -2.193 4.285 1.00 0.00 N ATOM 189 CA VAL A 15 8.227 -0.844 4.732 1.00 0.00 C ATOM 190 C VAL A 15 9.425 -0.310 3.944 1.00 0.00 C ATOM 191 O VAL A 15 9.312 0.692 3.240 1.00 0.00 O ATOM 192 CB VAL A 15 8.454 -0.833 6.245 1.00 0.00 C ATOM 193 CG1 VAL A 15 8.894 0.552 6.723 1.00 0.00 C ATOM 194 CG2 VAL A 15 7.201 -1.298 6.991 1.00 0.00 C ATOM 0 H VAL A 15 8.177 -2.929 4.944 1.00 0.00 H new ATOM 0 HA VAL A 15 7.387 -0.177 4.538 1.00 0.00 H new ATOM 0 HB VAL A 15 9.257 -1.535 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.049 0.532 7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.825 0.829 6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.123 1.283 6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.389 -1.281 8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.370 -0.632 6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.950 -2.313 6.683 1.00 0.00 H new ATOM 204 N GLU A 16 10.544 -1.003 4.089 1.00 0.00 N ATOM 205 CA GLU A 16 11.762 -0.611 3.399 1.00 0.00 C ATOM 206 C GLU A 16 11.452 -0.230 1.950 1.00 0.00 C ATOM 207 O GLU A 16 12.113 0.634 1.377 1.00 0.00 O ATOM 208 CB GLU A 16 12.810 -1.724 3.461 1.00 0.00 C ATOM 209 CG GLU A 16 13.511 -1.742 4.822 1.00 0.00 C ATOM 210 CD GLU A 16 15.029 -1.644 4.658 1.00 0.00 C ATOM 211 OE1 GLU A 16 15.456 -0.864 3.779 1.00 0.00 O ATOM 212 OE2 GLU A 16 15.728 -2.353 5.414 1.00 0.00 O ATOM 0 H GLU A 16 10.634 -1.834 4.674 1.00 0.00 H new ATOM 0 HA GLU A 16 12.177 0.262 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.333 -2.688 3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.546 -1.580 2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.153 -0.912 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.257 -2.659 5.354 1.00 0.00 H new ATOM 219 N TRP A 17 10.446 -0.895 1.399 1.00 0.00 N ATOM 220 CA TRP A 17 10.041 -0.637 0.028 1.00 0.00 C ATOM 221 C TRP A 17 9.269 0.684 0.004 1.00 0.00 C ATOM 222 O TRP A 17 9.651 1.618 -0.700 1.00 0.00 O ATOM 223 CB TRP A 17 9.236 -1.809 -0.536 1.00 0.00 C ATOM 224 CG TRP A 17 8.740 -1.593 -1.967 1.00 0.00 C ATOM 225 CD1 TRP A 17 9.342 -0.919 -2.956 1.00 0.00 C ATOM 226 CD2 TRP A 17 7.506 -2.084 -2.532 1.00 0.00 C ATOM 227 NE1 TRP A 17 8.590 -0.939 -4.113 1.00 0.00 N ATOM 228 CE2 TRP A 17 7.438 -1.670 -3.847 1.00 0.00 C ATOM 229 CE3 TRP A 17 6.481 -2.852 -1.952 1.00 0.00 C ATOM 230 CZ2 TRP A 17 6.365 -1.975 -4.692 1.00 0.00 C ATOM 231 CZ3 TRP A 17 5.416 -3.149 -2.810 1.00 0.00 C ATOM 232 CH2 TRP A 17 5.332 -2.740 -4.136 1.00 0.00 C ATOM 0 H TRP A 17 9.900 -1.612 1.878 1.00 0.00 H new ATOM 0 HA TRP A 17 10.912 -0.544 -0.620 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.853 -2.707 -0.508 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.378 -1.992 0.111 1.00 0.00 H new ATOM 0 HD1 TRP A 17 10.296 -0.422 -2.860 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.834 -0.499 -5.000 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.513 -3.186 -0.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 6.335 -1.639 -5.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.602 -3.738 -2.414 1.00 0.00 H new ATOM 0 HH2 TRP A 17 4.475 -3.011 -4.734 1.00 0.00 H new ATOM 243 N ILE A 18 8.197 0.721 0.781 1.00 0.00 N ATOM 244 CA ILE A 18 7.369 1.912 0.858 1.00 0.00 C ATOM 245 C ILE A 18 8.259 3.133 1.099 1.00 0.00 C ATOM 246 O ILE A 18 7.879 4.257 0.774 1.00 0.00 O ATOM 247 CB ILE A 18 6.271 1.735 1.909 1.00 0.00 C ATOM 248 CG1 ILE A 18 5.311 0.610 1.515 1.00 0.00 C ATOM 249 CG2 ILE A 18 5.536 3.053 2.163 1.00 0.00 C ATOM 250 CD1 ILE A 18 4.835 -0.161 2.747 1.00 0.00 C ATOM 0 H ILE A 18 7.883 -0.055 1.363 1.00 0.00 H new ATOM 0 HA ILE A 18 6.851 2.076 -0.087 1.00 0.00 H new ATOM 0 HB ILE A 18 6.741 1.443 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.453 1.027 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.808 -0.072 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.761 2.899 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.244 3.801 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.079 3.399 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.154 -0.955 2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.694 -0.597 3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.317 0.519 3.424 1.00 0.00 H new ATOM 262 N VAL A 19 9.427 2.871 1.666 1.00 0.00 N ATOM 263 CA VAL A 19 10.374 3.934 1.955 1.00 0.00 C ATOM 264 C VAL A 19 10.982 4.439 0.644 1.00 0.00 C ATOM 265 O VAL A 19 10.960 5.636 0.366 1.00 0.00 O ATOM 266 CB VAL A 19 11.426 3.442 2.951 1.00 0.00 C ATOM 267 CG1 VAL A 19 12.626 4.390 2.995 1.00 0.00 C ATOM 268 CG2 VAL A 19 10.819 3.261 4.344 1.00 0.00 C ATOM 0 H VAL A 19 9.739 1.937 1.933 1.00 0.00 H new ATOM 0 HA VAL A 19 9.869 4.777 2.426 1.00 0.00 H new ATOM 0 HB VAL A 19 11.781 2.469 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.358 4.017 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.081 4.447 2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.294 5.383 3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.587 2.911 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.424 4.214 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.013 2.529 4.297 1.00 0.00 H new ATOM 278 N VAL A 20 11.512 3.499 -0.126 1.00 0.00 N ATOM 279 CA VAL A 20 12.125 3.833 -1.400 1.00 0.00 C ATOM 280 C VAL A 20 11.039 4.280 -2.381 1.00 0.00 C ATOM 281 O VAL A 20 11.234 5.231 -3.137 1.00 0.00 O ATOM 282 CB VAL A 20 12.944 2.647 -1.914 1.00 0.00 C ATOM 283 CG1 VAL A 20 13.615 1.903 -0.758 1.00 0.00 C ATOM 284 CG2 VAL A 20 12.076 1.700 -2.745 1.00 0.00 C ATOM 0 H VAL A 20 11.529 2.506 0.108 1.00 0.00 H new ATOM 0 HA VAL A 20 12.820 4.664 -1.283 1.00 0.00 H new ATOM 0 HB VAL A 20 13.729 3.037 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.191 1.065 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.280 2.583 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.853 1.531 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.683 0.866 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.260 1.320 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.666 2.238 -3.600 1.00 0.00 H new ATOM 294 N GLN A 21 9.920 3.573 -2.338 1.00 0.00 N ATOM 295 CA GLN A 21 8.803 3.885 -3.215 1.00 0.00 C ATOM 296 C GLN A 21 8.365 5.337 -3.019 1.00 0.00 C ATOM 297 O GLN A 21 8.527 6.164 -3.915 1.00 0.00 O ATOM 298 CB GLN A 21 7.637 2.923 -2.979 1.00 0.00 C ATOM 299 CG GLN A 21 7.841 1.615 -3.747 1.00 0.00 C ATOM 300 CD GLN A 21 7.214 1.693 -5.140 1.00 0.00 C ATOM 301 OE1 GLN A 21 6.109 1.234 -5.379 1.00 0.00 O ATOM 302 NE2 GLN A 21 7.978 2.300 -6.044 1.00 0.00 N ATOM 0 H GLN A 21 9.762 2.785 -1.710 1.00 0.00 H new ATOM 0 HA GLN A 21 9.130 3.761 -4.247 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.544 2.713 -1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.705 3.392 -3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.907 1.404 -3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.397 0.789 -3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.894 2.662 -5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.648 2.404 -7.004 1.00 0.00 H new ATOM 311 N CYS A 22 7.818 5.604 -1.842 1.00 0.00 N ATOM 312 CA CYS A 22 7.355 6.942 -1.517 1.00 0.00 C ATOM 313 C CYS A 22 8.577 7.851 -1.374 1.00 0.00 C ATOM 314 O CYS A 22 8.663 8.889 -2.029 1.00 0.00 O ATOM 315 CB CYS A 22 6.487 6.950 -0.258 1.00 0.00 C ATOM 316 SG CYS A 22 4.741 6.625 -0.699 1.00 0.00 S ATOM 0 H CYS A 22 7.685 4.915 -1.101 1.00 0.00 H new ATOM 0 HA CYS A 22 6.718 7.314 -2.319 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.841 6.193 0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.570 7.913 0.245 1.00 0.00 H new ATOM 0 HG CYS A 22 4.013 6.632 0.378 1.00 0.00 H new ATOM 322 N GLY A 23 9.492 7.429 -0.513 1.00 0.00 N ATOM 323 CA GLY A 23 10.705 8.193 -0.276 1.00 0.00 C ATOM 324 C GLY A 23 10.821 8.594 1.196 1.00 0.00 C ATOM 325 O GLY A 23 9.913 8.338 1.986 1.00 0.00 O ATOM 0 H GLY A 23 9.417 6.568 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.574 7.602 -0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.705 9.086 -0.901 1.00 0.00 H new ATOM 329 N PRO A 24 11.975 9.232 1.529 1.00 0.00 N ATOM 330 CA PRO A 24 12.221 9.671 2.892 1.00 0.00 C ATOM 331 C PRO A 24 11.396 10.916 3.224 1.00 0.00 C ATOM 332 O PRO A 24 11.946 11.939 3.630 1.00 0.00 O ATOM 333 CB PRO A 24 13.720 9.915 2.961 1.00 0.00 C ATOM 334 CG PRO A 24 14.187 10.053 1.522 1.00 0.00 C ATOM 335 CD PRO A 24 13.071 9.551 0.619 1.00 0.00 C ATOM 0 HA PRO A 24 11.916 8.933 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.943 10.816 3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.228 9.089 3.459 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.423 11.093 1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.098 9.477 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 24 12.776 10.310 -0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 24 13.384 8.674 0.053 1.00 0.00 H new ATOM 343 N ASP A 25 10.091 10.788 3.040 1.00 0.00 N ATOM 344 CA ASP A 25 9.184 11.890 3.316 1.00 0.00 C ATOM 345 C ASP A 25 8.048 11.397 4.214 1.00 0.00 C ATOM 346 O ASP A 25 7.704 12.049 5.199 1.00 0.00 O ATOM 347 CB ASP A 25 8.566 12.430 2.025 1.00 0.00 C ATOM 348 CG ASP A 25 8.306 13.938 2.015 1.00 0.00 C ATOM 349 OD1 ASP A 25 7.267 14.339 2.583 1.00 0.00 O ATOM 350 OD2 ASP A 25 9.152 14.656 1.438 1.00 0.00 O ATOM 0 H ASP A 25 9.639 9.938 2.703 1.00 0.00 H new ATOM 0 HA ASP A 25 9.753 12.682 3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.226 12.185 1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.623 11.913 1.847 1.00 0.00 H new ATOM 355 N VAL A 26 7.497 10.251 3.842 1.00 0.00 N ATOM 356 CA VAL A 26 6.406 9.664 4.602 1.00 0.00 C ATOM 357 C VAL A 26 6.934 9.183 5.955 1.00 0.00 C ATOM 358 O VAL A 26 6.205 9.182 6.946 1.00 0.00 O ATOM 359 CB VAL A 26 5.742 8.551 3.790 1.00 0.00 C ATOM 360 CG1 VAL A 26 5.154 9.099 2.488 1.00 0.00 C ATOM 361 CG2 VAL A 26 6.727 7.414 3.511 1.00 0.00 C ATOM 0 H VAL A 26 7.785 9.713 3.025 1.00 0.00 H new ATOM 0 HA VAL A 26 5.635 10.408 4.800 1.00 0.00 H new ATOM 0 HB VAL A 26 4.922 8.146 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.688 8.287 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.406 9.858 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.949 9.543 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.230 6.636 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.577 7.799 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.077 6.996 4.455 1.00 0.00 H new ATOM 371 N GLY A 27 8.198 8.787 5.954 1.00 0.00 N ATOM 372 CA GLY A 27 8.832 8.304 7.169 1.00 0.00 C ATOM 373 C GLY A 27 8.576 6.809 7.365 1.00 0.00 C ATOM 374 O GLY A 27 8.322 6.088 6.402 1.00 0.00 O ATOM 0 H GLY A 27 8.801 8.791 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.905 8.489 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.450 8.857 8.027 1.00 0.00 H new ATOM 378 N ARG A 28 8.652 6.387 8.619 1.00 0.00 N ATOM 379 CA ARG A 28 8.432 4.991 8.954 1.00 0.00 C ATOM 380 C ARG A 28 7.249 4.855 9.915 1.00 0.00 C ATOM 381 O ARG A 28 6.731 5.854 10.411 1.00 0.00 O ATOM 382 CB ARG A 28 9.676 4.375 9.597 1.00 0.00 C ATOM 383 CG ARG A 28 10.251 3.260 8.721 1.00 0.00 C ATOM 384 CD ARG A 28 10.994 2.225 9.569 1.00 0.00 C ATOM 385 NE ARG A 28 11.828 1.364 8.702 1.00 0.00 N ATOM 386 CZ ARG A 28 12.389 0.215 9.100 1.00 0.00 C ATOM 387 NH1 ARG A 28 12.209 -0.219 10.355 1.00 0.00 N ATOM 388 NH2 ARG A 28 13.131 -0.501 8.244 1.00 0.00 N ATOM 0 H ARG A 28 8.863 6.988 9.415 1.00 0.00 H new ATOM 0 HA ARG A 28 8.215 4.459 8.028 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.430 5.147 9.751 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.423 3.976 10.579 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.446 2.774 8.170 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.930 3.686 7.983 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.620 2.728 10.306 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.279 1.615 10.122 1.00 0.00 H new ATOM 0 HE ARG A 28 11.986 1.665 7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.645 0.326 11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.636 -1.094 10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.269 -0.171 7.289 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.558 -1.376 8.548 1.00 0.00 H new ATOM 402 N PRO A 29 6.847 3.579 10.156 1.00 0.00 N ATOM 403 CA PRO A 29 5.736 3.300 11.049 1.00 0.00 C ATOM 404 C PRO A 29 6.148 3.482 12.511 1.00 0.00 C ATOM 405 O PRO A 29 7.334 3.603 12.815 1.00 0.00 O ATOM 406 CB PRO A 29 5.317 1.875 10.723 1.00 0.00 C ATOM 407 CG PRO A 29 6.496 1.251 9.995 1.00 0.00 C ATOM 408 CD PRO A 29 7.438 2.371 9.586 1.00 0.00 C ATOM 0 HA PRO A 29 4.902 3.988 10.910 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.080 1.320 11.631 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.423 1.864 10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.009 0.538 10.640 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.155 0.700 9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.444 2.203 9.971 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.520 2.444 8.501 1.00 0.00 H new ATOM 502 N GLY A 35 1.694 -0.153 14.628 1.00 0.00 N ATOM 503 CA GLY A 35 2.343 0.943 13.929 1.00 0.00 C ATOM 504 C GLY A 35 2.138 0.826 12.417 1.00 0.00 C ATOM 505 O GLY A 35 1.503 1.684 11.805 1.00 0.00 O ATOM 0 HA2 GLY A 35 1.941 1.893 14.282 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.409 0.944 14.156 1.00 0.00 H new ATOM 509 N PHE A 36 2.688 -0.242 11.858 1.00 0.00 N ATOM 510 CA PHE A 36 2.573 -0.482 10.430 1.00 0.00 C ATOM 511 C PHE A 36 1.116 -0.389 9.973 1.00 0.00 C ATOM 512 O PHE A 36 0.834 0.106 8.883 1.00 0.00 O ATOM 513 CB PHE A 36 3.086 -1.901 10.172 1.00 0.00 C ATOM 514 CG PHE A 36 3.058 -2.314 8.699 1.00 0.00 C ATOM 515 CD1 PHE A 36 3.851 -1.675 7.798 1.00 0.00 C ATOM 516 CD2 PHE A 36 2.241 -3.322 8.292 1.00 0.00 C ATOM 517 CE1 PHE A 36 3.825 -2.059 6.431 1.00 0.00 C ATOM 518 CE2 PHE A 36 2.215 -3.706 6.925 1.00 0.00 C ATOM 519 CZ PHE A 36 3.007 -3.067 6.024 1.00 0.00 C ATOM 0 H PHE A 36 3.215 -0.951 12.369 1.00 0.00 H new ATOM 0 HA PHE A 36 3.146 0.265 9.881 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.108 -1.980 10.541 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.484 -2.604 10.748 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.501 -0.875 8.122 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.612 -3.830 9.008 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.454 -1.551 5.715 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.566 -4.506 6.601 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.987 -3.360 4.985 1.00 0.00 H new ATOM 529 N GLN A 37 0.228 -0.871 10.830 1.00 0.00 N ATOM 530 CA GLN A 37 -1.193 -0.848 10.528 1.00 0.00 C ATOM 531 C GLN A 37 -1.680 0.594 10.376 1.00 0.00 C ATOM 532 O GLN A 37 -2.320 0.935 9.382 1.00 0.00 O ATOM 533 CB GLN A 37 -1.994 -1.586 11.603 1.00 0.00 C ATOM 534 CG GLN A 37 -3.444 -1.792 11.161 1.00 0.00 C ATOM 535 CD GLN A 37 -4.385 -0.846 11.911 1.00 0.00 C ATOM 536 OE1 GLN A 37 -4.944 0.083 11.140 1.00 0.00 O flip ATOM 537 NE2 GLN A 37 -4.589 -0.952 13.109 1.00 0.00 N flip ATOM 0 H GLN A 37 0.465 -1.280 11.734 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.352 -1.366 9.582 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.532 -2.552 11.807 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.971 -1.018 12.533 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.529 -1.620 10.088 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.740 -2.825 11.343 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.127 -1.689 13.642 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.222 -0.304 13.578 1.00 0.00 H new ATOM 546 N VAL A 38 -1.357 1.403 11.374 1.00 0.00 N ATOM 547 CA VAL A 38 -1.753 2.801 11.364 1.00 0.00 C ATOM 548 C VAL A 38 -0.972 3.539 10.275 1.00 0.00 C ATOM 549 O VAL A 38 -1.528 4.380 9.569 1.00 0.00 O ATOM 550 CB VAL A 38 -1.562 3.410 12.754 1.00 0.00 C ATOM 551 CG1 VAL A 38 -1.984 4.880 12.771 1.00 0.00 C ATOM 552 CG2 VAL A 38 -2.321 2.608 13.813 1.00 0.00 C ATOM 0 H VAL A 38 -0.825 1.117 12.196 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.812 2.896 11.126 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.500 3.364 12.997 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.838 5.289 13.771 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.379 5.440 12.058 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.036 4.960 12.496 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.168 3.062 14.792 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.385 2.607 13.575 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.951 1.583 13.827 1.00 0.00 H new ATOM 562 N TRP A 39 0.304 3.199 10.172 1.00 0.00 N ATOM 563 CA TRP A 39 1.167 3.819 9.181 1.00 0.00 C ATOM 564 C TRP A 39 0.505 3.658 7.811 1.00 0.00 C ATOM 565 O TRP A 39 0.551 4.568 6.985 1.00 0.00 O ATOM 566 CB TRP A 39 2.577 3.229 9.236 1.00 0.00 C ATOM 567 CG TRP A 39 3.589 3.953 8.346 1.00 0.00 C ATOM 568 CD1 TRP A 39 3.873 5.263 8.315 1.00 0.00 C ATOM 569 CD2 TRP A 39 4.447 3.351 7.353 1.00 0.00 C ATOM 570 NE1 TRP A 39 4.846 5.548 7.379 1.00 0.00 N ATOM 571 CE2 TRP A 39 5.206 4.348 6.775 1.00 0.00 C ATOM 572 CE3 TRP A 39 4.576 2.009 6.956 1.00 0.00 C ATOM 573 CZ2 TRP A 39 6.147 4.108 5.767 1.00 0.00 C ATOM 574 CZ3 TRP A 39 5.521 1.785 5.948 1.00 0.00 C ATOM 575 CH2 TRP A 39 6.294 2.778 5.356 1.00 0.00 C ATOM 0 H TRP A 39 0.762 2.502 10.759 1.00 0.00 H new ATOM 0 HA TRP A 39 1.288 4.883 9.387 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.931 3.255 10.267 1.00 0.00 H new ATOM 0 HB3 TRP A 39 2.533 2.181 8.940 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.400 6.002 8.944 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.230 6.469 7.169 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.992 1.213 7.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.728 4.906 5.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 5.660 0.770 5.606 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.004 2.524 4.583 1.00 0.00 H new ATOM 586 N LEU A 40 -0.096 2.494 7.612 1.00 0.00 N ATOM 587 CA LEU A 40 -0.767 2.203 6.356 1.00 0.00 C ATOM 588 C LEU A 40 -2.278 2.160 6.588 1.00 0.00 C ATOM 589 O LEU A 40 -2.963 1.273 6.081 1.00 0.00 O ATOM 590 CB LEU A 40 -0.204 0.924 5.733 1.00 0.00 C ATOM 591 CG LEU A 40 1.289 0.940 5.400 1.00 0.00 C ATOM 592 CD1 LEU A 40 1.663 -0.239 4.500 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.700 2.281 4.789 1.00 0.00 C ATOM 0 H LEU A 40 -0.132 1.741 8.299 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.578 2.994 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.395 0.097 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.758 0.715 4.818 1.00 0.00 H new ATOM 0 HG LEU A 40 1.847 0.825 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.730 -0.204 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.429 -1.174 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.097 -0.181 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.766 2.266 4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.136 2.451 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.492 3.083 5.497 1.00 0.00 H new ATOM 605 N LYS A 41 -2.755 3.131 7.355 1.00 0.00 N ATOM 606 CA LYS A 41 -4.173 3.215 7.660 1.00 0.00 C ATOM 607 C LYS A 41 -4.798 4.351 6.847 1.00 0.00 C ATOM 608 O LYS A 41 -5.721 4.124 6.066 1.00 0.00 O ATOM 609 CB LYS A 41 -4.389 3.348 9.169 1.00 0.00 C ATOM 610 CG LYS A 41 -5.842 3.709 9.485 1.00 0.00 C ATOM 611 CD LYS A 41 -5.993 4.148 10.943 1.00 0.00 C ATOM 612 CE LYS A 41 -6.890 5.383 11.053 1.00 0.00 C ATOM 613 NZ LYS A 41 -6.926 5.874 12.449 1.00 0.00 N ATOM 0 H LYS A 41 -2.184 3.865 7.774 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.681 2.296 7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.128 2.411 9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.725 4.114 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.174 4.510 8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.484 2.850 9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.416 3.333 11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.012 4.368 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.520 6.169 10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.899 5.138 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.539 6.712 12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.300 5.128 13.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.964 6.127 12.753 1.00 0.00 H new ATOM 627 N ASN A 42 -4.270 5.547 7.059 1.00 0.00 N ATOM 628 CA ASN A 42 -4.765 6.718 6.355 1.00 0.00 C ATOM 629 C ASN A 42 -5.034 6.354 4.894 1.00 0.00 C ATOM 630 O ASN A 42 -6.135 6.571 4.389 1.00 0.00 O ATOM 631 CB ASN A 42 -3.736 7.850 6.378 1.00 0.00 C ATOM 632 CG ASN A 42 -3.839 8.658 7.674 1.00 0.00 C ATOM 633 OD1 ASN A 42 -4.355 8.202 8.681 1.00 0.00 O ATOM 634 ND2 ASN A 42 -3.321 9.880 7.591 1.00 0.00 N ATOM 0 H ASN A 42 -3.505 5.731 7.708 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.677 7.049 6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.732 7.436 6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.893 8.507 5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.341 10.498 8.402 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.904 10.199 6.716 1.00 0.00 H new ATOM 641 N GLY A 43 -4.010 5.807 4.255 1.00 0.00 N ATOM 642 CA GLY A 43 -4.123 5.411 2.862 1.00 0.00 C ATOM 643 C GLY A 43 -3.320 6.349 1.958 1.00 0.00 C ATOM 644 O GLY A 43 -2.789 5.925 0.933 1.00 0.00 O ATOM 0 H GLY A 43 -3.098 5.629 4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.765 4.389 2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.171 5.420 2.562 1.00 0.00 H new ATOM 648 N VAL A 44 -3.256 7.606 2.372 1.00 0.00 N ATOM 649 CA VAL A 44 -2.526 8.607 1.613 1.00 0.00 C ATOM 650 C VAL A 44 -1.195 8.016 1.144 1.00 0.00 C ATOM 651 O VAL A 44 -0.791 8.217 0.000 1.00 0.00 O ATOM 652 CB VAL A 44 -2.355 9.876 2.450 1.00 0.00 C ATOM 653 CG1 VAL A 44 -1.275 10.783 1.857 1.00 0.00 C ATOM 654 CG2 VAL A 44 -3.682 10.624 2.591 1.00 0.00 C ATOM 0 H VAL A 44 -3.698 7.954 3.223 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.085 8.894 0.723 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.032 9.577 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.174 11.678 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.325 10.250 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.556 11.069 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.532 11.522 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.048 10.904 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.413 9.980 3.080 1.00 0.00 H new ATOM 664 N ILE A 45 -0.550 7.300 2.053 1.00 0.00 N ATOM 665 CA ILE A 45 0.727 6.678 1.747 1.00 0.00 C ATOM 666 C ILE A 45 0.513 5.557 0.728 1.00 0.00 C ATOM 667 O ILE A 45 1.222 5.480 -0.274 1.00 0.00 O ATOM 668 CB ILE A 45 1.421 6.218 3.031 1.00 0.00 C ATOM 669 CG1 ILE A 45 2.118 7.388 3.728 1.00 0.00 C ATOM 670 CG2 ILE A 45 2.383 5.062 2.750 1.00 0.00 C ATOM 671 CD1 ILE A 45 2.873 6.915 4.971 1.00 0.00 C ATOM 0 H ILE A 45 -0.888 7.137 3.002 1.00 0.00 H new ATOM 0 HA ILE A 45 1.402 7.401 1.289 1.00 0.00 H new ATOM 0 HB ILE A 45 0.660 5.844 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.812 7.866 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.380 8.139 4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.863 4.754 3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.829 4.221 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.143 5.386 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.359 7.766 5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.172 6.459 5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.626 6.182 4.682 1.00 0.00 H new ATOM 683 N LEU A 46 -0.468 4.716 1.019 1.00 0.00 N ATOM 684 CA LEU A 46 -0.785 3.602 0.141 1.00 0.00 C ATOM 685 C LEU A 46 -1.084 4.134 -1.262 1.00 0.00 C ATOM 686 O LEU A 46 -0.588 3.599 -2.252 1.00 0.00 O ATOM 687 CB LEU A 46 -1.915 2.758 0.733 1.00 0.00 C ATOM 688 CG LEU A 46 -1.513 1.781 1.840 1.00 0.00 C ATOM 689 CD1 LEU A 46 -2.741 1.289 2.609 1.00 0.00 C ATOM 690 CD2 LEU A 46 -0.688 0.622 1.276 1.00 0.00 C ATOM 0 H LEU A 46 -1.054 4.783 1.851 1.00 0.00 H new ATOM 0 HA LEU A 46 0.069 2.931 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.676 3.431 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.379 2.191 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.879 2.312 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.428 0.596 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.252 2.139 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.420 0.781 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.415 -0.057 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.277 0.084 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.216 1.012 0.810 1.00 0.00 H new ATOM 702 N SER A 47 -1.895 5.182 -1.302 1.00 0.00 N ATOM 703 CA SER A 47 -2.266 5.792 -2.567 1.00 0.00 C ATOM 704 C SER A 47 -1.025 6.358 -3.260 1.00 0.00 C ATOM 705 O SER A 47 -0.920 6.316 -4.485 1.00 0.00 O ATOM 706 CB SER A 47 -3.309 6.893 -2.363 1.00 0.00 C ATOM 707 OG SER A 47 -2.727 8.091 -1.856 1.00 0.00 O ATOM 0 H SER A 47 -2.305 5.623 -0.479 1.00 0.00 H new ATOM 0 HA SER A 47 -2.708 5.023 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.805 7.103 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.076 6.542 -1.673 1.00 0.00 H new ATOM 0 HG SER A 47 -2.012 7.866 -1.224 1.00 0.00 H new ATOM 713 N LYS A 48 -0.116 6.874 -2.446 1.00 0.00 N ATOM 714 CA LYS A 48 1.114 7.448 -2.965 1.00 0.00 C ATOM 715 C LYS A 48 1.971 6.338 -3.576 1.00 0.00 C ATOM 716 O LYS A 48 2.657 6.556 -4.574 1.00 0.00 O ATOM 717 CB LYS A 48 1.831 8.251 -1.878 1.00 0.00 C ATOM 718 CG LYS A 48 1.267 9.669 -1.781 1.00 0.00 C ATOM 719 CD LYS A 48 1.565 10.286 -0.413 1.00 0.00 C ATOM 720 CE LYS A 48 1.118 11.749 -0.362 1.00 0.00 C ATOM 721 NZ LYS A 48 1.957 12.514 0.587 1.00 0.00 N ATOM 0 H LYS A 48 -0.207 6.907 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 48 0.896 8.159 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.723 7.747 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.898 8.294 -2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.699 10.290 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.190 9.648 -1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.054 9.719 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.633 10.221 -0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.187 12.191 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.072 11.806 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.641 13.504 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.871 12.101 1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.950 12.475 0.282 1.00 0.00 H new ATOM 735 N LEU A 49 1.904 5.171 -2.952 1.00 0.00 N ATOM 736 CA LEU A 49 2.666 4.026 -3.422 1.00 0.00 C ATOM 737 C LEU A 49 2.269 3.714 -4.867 1.00 0.00 C ATOM 738 O LEU A 49 3.046 3.948 -5.792 1.00 0.00 O ATOM 739 CB LEU A 49 2.497 2.842 -2.469 1.00 0.00 C ATOM 740 CG LEU A 49 3.475 1.681 -2.660 1.00 0.00 C ATOM 741 CD1 LEU A 49 4.869 2.049 -2.147 1.00 0.00 C ATOM 742 CD2 LEU A 49 2.943 0.402 -2.010 1.00 0.00 C ATOM 0 H LEU A 49 1.334 4.994 -2.125 1.00 0.00 H new ATOM 0 HA LEU A 49 3.732 4.253 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.594 3.208 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.483 2.458 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 49 3.567 1.484 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.545 1.207 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.242 2.914 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.814 2.289 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.658 -0.407 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.803 0.568 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.989 0.133 -2.464 1.00 0.00 H new ATOM 754 N VAL A 50 1.062 3.190 -5.015 1.00 0.00 N ATOM 755 CA VAL A 50 0.553 2.843 -6.332 1.00 0.00 C ATOM 756 C VAL A 50 0.880 3.970 -7.313 1.00 0.00 C ATOM 757 O VAL A 50 1.280 3.713 -8.448 1.00 0.00 O ATOM 758 CB VAL A 50 -0.944 2.537 -6.250 1.00 0.00 C ATOM 759 CG1 VAL A 50 -1.718 3.732 -5.689 1.00 0.00 C ATOM 760 CG2 VAL A 50 -1.494 2.121 -7.616 1.00 0.00 C ATOM 0 H VAL A 50 0.421 2.997 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 50 1.036 1.939 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.078 1.700 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.779 3.488 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.354 3.964 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.573 4.596 -6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.560 1.909 -7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.341 2.929 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.973 1.228 -7.961 1.00 0.00 H new ATOM 770 N ASN A 51 0.698 5.195 -6.841 1.00 0.00 N ATOM 771 CA ASN A 51 0.969 6.362 -7.663 1.00 0.00 C ATOM 772 C ASN A 51 2.381 6.256 -8.241 1.00 0.00 C ATOM 773 O ASN A 51 2.559 6.251 -9.459 1.00 0.00 O ATOM 774 CB ASN A 51 0.891 7.647 -6.837 1.00 0.00 C ATOM 775 CG ASN A 51 -0.385 8.428 -7.157 1.00 0.00 C ATOM 776 OD1 ASN A 51 -0.399 9.342 -7.965 1.00 0.00 O ATOM 777 ND2 ASN A 51 -1.454 8.019 -6.479 1.00 0.00 N ATOM 0 H ASN A 51 0.366 5.404 -5.900 1.00 0.00 H new ATOM 0 HA ASN A 51 0.222 6.397 -8.456 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.915 7.403 -5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.763 8.268 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.354 8.477 -6.621 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.373 7.247 -5.817 1.00 0.00 H new ATOM 784 N SER A 52 3.350 6.174 -7.341 1.00 0.00 N ATOM 785 CA SER A 52 4.741 6.069 -7.747 1.00 0.00 C ATOM 786 C SER A 52 4.863 5.154 -8.967 1.00 0.00 C ATOM 787 O SER A 52 5.545 5.490 -9.934 1.00 0.00 O ATOM 788 CB SER A 52 5.611 5.546 -6.602 1.00 0.00 C ATOM 789 OG SER A 52 5.031 5.811 -5.328 1.00 0.00 O ATOM 0 H SER A 52 3.199 6.178 -6.332 1.00 0.00 H new ATOM 0 HA SER A 52 5.096 7.065 -8.011 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.756 4.472 -6.718 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.597 6.008 -6.655 1.00 0.00 H new ATOM 0 HG SER A 52 4.230 5.258 -5.212 1.00 0.00 H new ATOM 795 N LEU A 53 4.191 4.015 -8.882 1.00 0.00 N ATOM 796 CA LEU A 53 4.216 3.049 -9.966 1.00 0.00 C ATOM 797 C LEU A 53 3.633 3.689 -11.228 1.00 0.00 C ATOM 798 O LEU A 53 4.374 4.096 -12.121 1.00 0.00 O ATOM 799 CB LEU A 53 3.509 1.757 -9.550 1.00 0.00 C ATOM 800 CG LEU A 53 3.987 1.122 -8.243 1.00 0.00 C ATOM 801 CD1 LEU A 53 3.204 -0.156 -7.935 1.00 0.00 C ATOM 802 CD2 LEU A 53 5.497 0.877 -8.272 1.00 0.00 C ATOM 0 H LEU A 53 3.626 3.740 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 53 5.242 2.764 -10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.442 1.962 -9.462 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.628 1.027 -10.351 1.00 0.00 H new ATOM 0 HG LEU A 53 3.791 1.823 -7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.564 -0.587 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.144 0.080 -7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.345 -0.873 -8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.810 0.425 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.741 0.206 -9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.017 1.825 -8.410 1.00 0.00 H new ATOM 814 N TYR A 54 2.310 3.760 -11.260 1.00 0.00 N ATOM 815 CA TYR A 54 1.619 4.344 -12.397 1.00 0.00 C ATOM 816 C TYR A 54 2.404 5.528 -12.966 1.00 0.00 C ATOM 817 O TYR A 54 3.129 6.204 -12.238 1.00 0.00 O ATOM 818 CB TYR A 54 0.277 4.848 -11.861 1.00 0.00 C ATOM 819 CG TYR A 54 -0.817 3.780 -11.823 1.00 0.00 C ATOM 820 CD1 TYR A 54 -0.945 2.962 -10.719 1.00 0.00 C ATOM 821 CD2 TYR A 54 -1.677 3.634 -12.892 1.00 0.00 C ATOM 822 CE1 TYR A 54 -1.975 1.956 -10.682 1.00 0.00 C ATOM 823 CE2 TYR A 54 -2.708 2.629 -12.856 1.00 0.00 C ATOM 824 CZ TYR A 54 -2.806 1.839 -11.753 1.00 0.00 C ATOM 825 OH TYR A 54 -3.779 0.890 -11.719 1.00 0.00 O ATOM 0 H TYR A 54 1.698 3.423 -10.517 1.00 0.00 H new ATOM 0 HA TYR A 54 1.502 3.610 -13.194 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.423 5.240 -10.854 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.061 5.679 -12.480 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.272 3.076 -9.882 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.577 4.274 -13.756 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.085 1.309 -9.824 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.388 2.505 -13.686 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.730 0.401 -10.871 1.00 0.00 H new ATOM 835 N PRO A 55 2.228 5.748 -14.296 1.00 0.00 N ATOM 836 CA PRO A 55 2.911 6.838 -14.971 1.00 0.00 C ATOM 837 C PRO A 55 2.269 8.184 -14.629 1.00 0.00 C ATOM 838 O PRO A 55 1.203 8.229 -14.016 1.00 0.00 O ATOM 839 CB PRO A 55 2.827 6.500 -16.451 1.00 0.00 C ATOM 840 CG PRO A 55 1.705 5.482 -16.582 1.00 0.00 C ATOM 841 CD PRO A 55 1.377 4.968 -15.190 1.00 0.00 C ATOM 0 HA PRO A 55 3.950 6.940 -14.657 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.618 7.390 -17.044 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.770 6.091 -16.812 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.826 5.939 -17.037 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.009 4.660 -17.231 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.322 5.108 -14.955 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.584 3.901 -15.103 1.00 0.00 H new ATOM 849 N GLU A 56 2.944 9.248 -15.039 1.00 0.00 N ATOM 850 CA GLU A 56 2.452 10.591 -14.783 1.00 0.00 C ATOM 851 C GLU A 56 1.120 10.814 -15.501 1.00 0.00 C ATOM 852 O GLU A 56 0.212 11.439 -14.954 1.00 0.00 O ATOM 853 CB GLU A 56 3.483 11.641 -15.202 1.00 0.00 C ATOM 854 CG GLU A 56 4.580 11.785 -14.145 1.00 0.00 C ATOM 855 CD GLU A 56 5.455 13.008 -14.425 1.00 0.00 C ATOM 856 OE1 GLU A 56 4.901 14.128 -14.366 1.00 0.00 O ATOM 857 OE2 GLU A 56 6.657 12.797 -14.693 1.00 0.00 O ATOM 0 H GLU A 56 3.828 9.207 -15.547 1.00 0.00 H new ATOM 0 HA GLU A 56 2.287 10.699 -13.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.927 11.359 -16.156 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.989 12.601 -15.352 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.128 11.875 -13.157 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.198 10.887 -14.132 1.00 0.00 H new ATOM 864 N GLY A 57 1.043 10.291 -16.716 1.00 0.00 N ATOM 865 CA GLY A 57 -0.163 10.425 -17.514 1.00 0.00 C ATOM 866 C GLY A 57 -1.168 9.321 -17.179 1.00 0.00 C ATOM 867 O GLY A 57 -1.760 8.722 -18.075 1.00 0.00 O ATOM 0 H GLY A 57 1.797 9.773 -17.167 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.616 11.400 -17.335 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.091 10.381 -18.573 1.00 0.00 H new ATOM 871 N SER A 58 -1.330 9.086 -15.885 1.00 0.00 N ATOM 872 CA SER A 58 -2.253 8.065 -15.420 1.00 0.00 C ATOM 873 C SER A 58 -2.898 8.503 -14.103 1.00 0.00 C ATOM 874 O SER A 58 -4.071 8.872 -14.075 1.00 0.00 O ATOM 875 CB SER A 58 -1.544 6.721 -15.242 1.00 0.00 C ATOM 876 OG SER A 58 -2.269 5.651 -15.842 1.00 0.00 O ATOM 0 H SER A 58 -0.838 9.585 -15.144 1.00 0.00 H new ATOM 0 HA SER A 58 -3.030 7.938 -16.174 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.548 6.776 -15.682 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.412 6.519 -14.179 1.00 0.00 H new ATOM 0 HG SER A 58 -1.783 4.811 -15.708 1.00 0.00 H new ATOM 882 N LYS A 59 -2.103 8.447 -13.044 1.00 0.00 N ATOM 883 CA LYS A 59 -2.582 8.833 -11.728 1.00 0.00 C ATOM 884 C LYS A 59 -3.992 8.279 -11.520 1.00 0.00 C ATOM 885 O LYS A 59 -4.978 8.946 -11.830 1.00 0.00 O ATOM 886 CB LYS A 59 -2.484 10.350 -11.547 1.00 0.00 C ATOM 887 CG LYS A 59 -1.184 10.735 -10.839 1.00 0.00 C ATOM 888 CD LYS A 59 0.014 10.603 -11.782 1.00 0.00 C ATOM 889 CE LYS A 59 1.321 10.484 -10.996 1.00 0.00 C ATOM 890 NZ LYS A 59 1.433 9.144 -10.378 1.00 0.00 N ATOM 0 H LYS A 59 -1.131 8.140 -13.071 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.952 8.400 -10.951 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.531 10.840 -12.520 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.336 10.707 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.254 11.760 -10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.037 10.097 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.114 9.726 -12.417 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.060 11.470 -12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.168 10.657 -11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.359 11.252 -10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.426 8.958 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.849 9.108 -9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.103 8.423 -11.051 1.00 0.00 H new ATOM 904 N PRO A 60 -4.046 7.030 -10.983 1.00 0.00 N ATOM 905 CA PRO A 60 -5.319 6.378 -10.730 1.00 0.00 C ATOM 906 C PRO A 60 -6.005 6.974 -9.499 1.00 0.00 C ATOM 907 O PRO A 60 -7.105 7.516 -9.599 1.00 0.00 O ATOM 908 CB PRO A 60 -4.981 4.905 -10.566 1.00 0.00 C ATOM 909 CG PRO A 60 -3.491 4.850 -10.271 1.00 0.00 C ATOM 910 CD PRO A 60 -2.899 6.210 -10.604 1.00 0.00 C ATOM 0 HA PRO A 60 -6.033 6.521 -11.541 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.557 4.460 -9.754 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.221 4.346 -11.470 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.318 4.605 -9.223 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.013 4.070 -10.864 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.375 6.634 -9.748 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.177 6.139 -11.417 1.00 0.00 H new ATOM 918 N VAL A 61 -5.328 6.855 -8.367 1.00 0.00 N ATOM 919 CA VAL A 61 -5.859 7.375 -7.118 1.00 0.00 C ATOM 920 C VAL A 61 -5.647 8.890 -7.071 1.00 0.00 C ATOM 921 O VAL A 61 -4.898 9.441 -7.877 1.00 0.00 O ATOM 922 CB VAL A 61 -5.222 6.645 -5.934 1.00 0.00 C ATOM 923 CG1 VAL A 61 -5.831 7.111 -4.611 1.00 0.00 C ATOM 924 CG2 VAL A 61 -5.349 5.128 -6.092 1.00 0.00 C ATOM 0 H VAL A 61 -4.416 6.406 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.932 7.194 -7.054 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.161 6.892 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.361 6.577 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.665 8.182 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.902 6.907 -4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.888 4.633 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.403 4.855 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.847 4.814 -7.007 1.00 0.00 H new ATOM 934 N LYS A 62 -6.320 9.520 -6.119 1.00 0.00 N ATOM 935 CA LYS A 62 -6.214 10.960 -5.957 1.00 0.00 C ATOM 936 C LYS A 62 -5.928 11.283 -4.489 1.00 0.00 C ATOM 937 O LYS A 62 -6.821 11.205 -3.647 1.00 0.00 O ATOM 938 CB LYS A 62 -7.462 11.654 -6.507 1.00 0.00 C ATOM 939 CG LYS A 62 -7.559 11.483 -8.024 1.00 0.00 C ATOM 940 CD LYS A 62 -8.192 12.715 -8.675 1.00 0.00 C ATOM 941 CE LYS A 62 -7.982 12.704 -10.190 1.00 0.00 C ATOM 942 NZ LYS A 62 -9.274 12.858 -10.894 1.00 0.00 N ATOM 0 H LYS A 62 -6.940 9.060 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.378 11.349 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.352 11.240 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.433 12.715 -6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.565 11.318 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.152 10.599 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.259 12.741 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.756 13.619 -8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.307 13.511 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.507 11.770 -10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.113 12.848 -11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.906 12.074 -10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.713 13.760 -10.621 1.00 0.00 H new ATOM 956 N VAL A 63 -4.679 11.639 -4.227 1.00 0.00 N ATOM 957 CA VAL A 63 -4.263 11.974 -2.876 1.00 0.00 C ATOM 958 C VAL A 63 -3.845 13.445 -2.826 1.00 0.00 C ATOM 959 O VAL A 63 -3.008 13.883 -3.614 1.00 0.00 O ATOM 960 CB VAL A 63 -3.157 11.022 -2.417 1.00 0.00 C ATOM 961 CG1 VAL A 63 -2.195 10.706 -3.563 1.00 0.00 C ATOM 962 CG2 VAL A 63 -2.407 11.593 -1.212 1.00 0.00 C ATOM 0 H VAL A 63 -3.941 11.703 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.091 11.847 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.626 10.088 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.419 10.027 -3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.744 10.236 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.736 11.629 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.626 10.897 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.956 12.548 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.104 11.742 -0.387 1.00 0.00 H new ATOM 972 N PRO A 64 -4.462 14.186 -1.867 1.00 0.00 N ATOM 973 CA PRO A 64 -4.162 15.598 -1.704 1.00 0.00 C ATOM 974 C PRO A 64 -2.803 15.796 -1.030 1.00 0.00 C ATOM 975 O PRO A 64 -2.123 14.826 -0.700 1.00 0.00 O ATOM 976 CB PRO A 64 -5.317 16.154 -0.886 1.00 0.00 C ATOM 977 CG PRO A 64 -5.978 14.953 -0.229 1.00 0.00 C ATOM 978 CD PRO A 64 -5.458 13.701 -0.917 1.00 0.00 C ATOM 0 HA PRO A 64 -4.077 16.122 -2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.961 16.862 -0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.023 16.690 -1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.749 14.926 0.836 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.062 15.016 -0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.017 13.009 -0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.261 13.165 -1.424 1.00 0.00 H new ATOM 986 N GLU A 65 -2.447 17.059 -0.847 1.00 0.00 N ATOM 987 CA GLU A 65 -1.181 17.396 -0.218 1.00 0.00 C ATOM 988 C GLU A 65 -1.200 17.000 1.259 1.00 0.00 C ATOM 989 O GLU A 65 -0.178 16.591 1.809 1.00 0.00 O ATOM 990 CB GLU A 65 -0.867 18.885 -0.383 1.00 0.00 C ATOM 991 CG GLU A 65 0.224 19.102 -1.433 1.00 0.00 C ATOM 992 CD GLU A 65 0.664 20.567 -1.473 1.00 0.00 C ATOM 993 OE1 GLU A 65 1.445 20.949 -0.575 1.00 0.00 O ATOM 994 OE2 GLU A 65 0.209 21.272 -2.399 1.00 0.00 O ATOM 0 H GLU A 65 -3.013 17.861 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.390 16.834 -0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.770 19.421 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.545 19.301 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.081 18.467 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.146 18.803 -2.414 1.00 0.00 H new ATOM 1001 N ASN A 66 -2.373 17.135 1.860 1.00 0.00 N ATOM 1002 CA ASN A 66 -2.538 16.795 3.264 1.00 0.00 C ATOM 1003 C ASN A 66 -3.444 15.569 3.384 1.00 0.00 C ATOM 1004 O ASN A 66 -4.198 15.256 2.464 1.00 0.00 O ATOM 1005 CB ASN A 66 -3.192 17.944 4.034 1.00 0.00 C ATOM 1006 CG ASN A 66 -2.136 18.835 4.691 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -1.010 18.433 4.932 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -2.561 20.065 4.966 1.00 0.00 N ATOM 0 H ASN A 66 -3.218 17.475 1.401 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.551 16.596 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.804 18.539 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.859 17.542 4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.931 20.736 5.405 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.517 20.337 4.738 1.00 0.00 H new ATOM 1015 N PRO A 67 -3.337 14.888 4.557 1.00 0.00 N ATOM 1016 CA PRO A 67 -4.138 13.702 4.810 1.00 0.00 C ATOM 1017 C PRO A 67 -5.589 14.076 5.118 1.00 0.00 C ATOM 1018 O PRO A 67 -5.846 15.048 5.827 1.00 0.00 O ATOM 1019 CB PRO A 67 -3.446 13.000 5.967 1.00 0.00 C ATOM 1020 CG PRO A 67 -2.560 14.048 6.620 1.00 0.00 C ATOM 1021 CD PRO A 67 -2.455 15.229 5.669 1.00 0.00 C ATOM 0 HA PRO A 67 -4.202 13.044 3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.174 12.607 6.677 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.856 12.154 5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.982 14.363 7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.572 13.637 6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.766 16.155 6.152 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.429 15.375 5.331 1.00 0.00 H new ATOM 1029 N PRO A 68 -6.524 13.263 4.557 1.00 0.00 N ATOM 1030 CA PRO A 68 -7.942 13.499 4.765 1.00 0.00 C ATOM 1031 C PRO A 68 -8.368 13.075 6.172 1.00 0.00 C ATOM 1032 O PRO A 68 -7.524 12.791 7.021 1.00 0.00 O ATOM 1033 CB PRO A 68 -8.638 12.707 3.670 1.00 0.00 C ATOM 1034 CG PRO A 68 -7.618 11.691 3.180 1.00 0.00 C ATOM 1035 CD PRO A 68 -6.256 12.103 3.713 1.00 0.00 C ATOM 0 HA PRO A 68 -8.206 14.555 4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.530 12.212 4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.959 13.361 2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.878 10.691 3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.607 11.656 2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.793 11.297 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.572 12.353 2.902 1.00 0.00 H new ATOM 1043 N SER A 69 -9.677 13.045 6.376 1.00 0.00 N ATOM 1044 CA SER A 69 -10.225 12.660 7.666 1.00 0.00 C ATOM 1045 C SER A 69 -11.414 11.717 7.469 1.00 0.00 C ATOM 1046 O SER A 69 -11.531 11.069 6.430 1.00 0.00 O ATOM 1047 CB SER A 69 -10.649 13.888 8.473 1.00 0.00 C ATOM 1048 OG SER A 69 -10.257 13.791 9.839 1.00 0.00 O ATOM 0 H SER A 69 -10.374 13.281 5.670 1.00 0.00 H new ATOM 0 HA SER A 69 -9.447 12.141 8.227 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.208 14.782 8.032 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.731 14.005 8.414 1.00 0.00 H new ATOM 0 HG SER A 69 -10.545 14.595 10.320 1.00 0.00 H new ATOM 1054 N MET A 70 -12.266 11.671 8.483 1.00 0.00 N ATOM 1055 CA MET A 70 -13.441 10.819 8.434 1.00 0.00 C ATOM 1056 C MET A 70 -13.055 9.367 8.143 1.00 0.00 C ATOM 1057 O MET A 70 -11.926 9.090 7.740 1.00 0.00 O ATOM 1058 CB MET A 70 -14.392 11.322 7.346 1.00 0.00 C ATOM 1059 CG MET A 70 -15.081 12.618 7.776 1.00 0.00 C ATOM 1060 SD MET A 70 -16.835 12.344 7.964 1.00 0.00 S ATOM 1061 CE MET A 70 -16.850 11.506 9.540 1.00 0.00 C ATOM 0 H MET A 70 -12.165 12.210 9.343 1.00 0.00 H new ATOM 0 HA MET A 70 -13.934 10.856 9.406 1.00 0.00 H new ATOM 0 HB2 MET A 70 -13.838 11.490 6.423 1.00 0.00 H new ATOM 0 HB3 MET A 70 -15.142 10.560 7.133 1.00 0.00 H new ATOM 0 HG2 MET A 70 -14.657 12.970 8.716 1.00 0.00 H new ATOM 0 HG3 MET A 70 -14.904 13.397 7.035 1.00 0.00 H new ATOM 0 HE1 MET A 70 -17.877 11.260 9.811 1.00 0.00 H new ATOM 0 HE2 MET A 70 -16.263 10.590 9.471 1.00 0.00 H new ATOM 0 HE3 MET A 70 -16.419 12.156 10.302 1.00 0.00 H new ATOM 1071 N VAL A 71 -14.013 8.478 8.359 1.00 0.00 N ATOM 1072 CA VAL A 71 -13.787 7.062 8.125 1.00 0.00 C ATOM 1073 C VAL A 71 -14.033 6.748 6.648 1.00 0.00 C ATOM 1074 O VAL A 71 -13.123 6.315 5.942 1.00 0.00 O ATOM 1075 CB VAL A 71 -14.661 6.230 9.067 1.00 0.00 C ATOM 1076 CG1 VAL A 71 -14.704 4.766 8.624 1.00 0.00 C ATOM 1077 CG2 VAL A 71 -14.178 6.352 10.513 1.00 0.00 C ATOM 0 H VAL A 71 -14.948 8.711 8.694 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.753 6.799 8.345 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.676 6.624 9.019 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -15.331 4.197 9.310 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.117 4.703 7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.695 4.355 8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.816 5.752 11.162 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.150 5.996 10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.223 7.395 10.825 1.00 0.00 H new ATOM 1087 N PHE A 72 -15.267 6.978 6.225 1.00 0.00 N ATOM 1088 CA PHE A 72 -15.644 6.725 4.844 1.00 0.00 C ATOM 1089 C PHE A 72 -14.557 7.209 3.882 1.00 0.00 C ATOM 1090 O PHE A 72 -14.151 6.478 2.980 1.00 0.00 O ATOM 1091 CB PHE A 72 -16.930 7.510 4.580 1.00 0.00 C ATOM 1092 CG PHE A 72 -18.208 6.689 4.756 1.00 0.00 C ATOM 1093 CD1 PHE A 72 -18.459 6.066 5.939 1.00 0.00 C ATOM 1094 CD2 PHE A 72 -19.094 6.581 3.730 1.00 0.00 C ATOM 1095 CE1 PHE A 72 -19.646 5.304 6.103 1.00 0.00 C ATOM 1096 CE2 PHE A 72 -20.281 5.819 3.894 1.00 0.00 C ATOM 1097 CZ PHE A 72 -20.532 5.196 5.076 1.00 0.00 C ATOM 0 H PHE A 72 -16.019 7.337 6.814 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.781 5.655 4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -16.965 8.366 5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.901 7.904 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.755 6.151 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.895 7.075 2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -19.845 4.810 7.043 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -20.985 5.734 3.079 1.00 0.00 H new ATOM 0 HZ PHE A 72 -21.434 4.616 5.200 1.00 0.00 H new ATOM 1107 N LYS A 73 -14.118 8.439 4.106 1.00 0.00 N ATOM 1108 CA LYS A 73 -13.087 9.029 3.270 1.00 0.00 C ATOM 1109 C LYS A 73 -11.811 8.191 3.373 1.00 0.00 C ATOM 1110 O LYS A 73 -11.355 7.623 2.382 1.00 0.00 O ATOM 1111 CB LYS A 73 -12.886 10.503 3.628 1.00 0.00 C ATOM 1112 CG LYS A 73 -13.666 11.410 2.675 1.00 0.00 C ATOM 1113 CD LYS A 73 -12.719 12.303 1.870 1.00 0.00 C ATOM 1114 CE LYS A 73 -12.475 13.632 2.589 1.00 0.00 C ATOM 1115 NZ LYS A 73 -11.806 14.595 1.686 1.00 0.00 N ATOM 0 H LYS A 73 -14.458 9.043 4.855 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.392 9.018 2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.213 10.680 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.825 10.750 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.263 10.802 1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.360 12.029 3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.770 11.789 1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.142 12.492 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.423 14.045 2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.860 13.466 3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.648 15.491 2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.892 14.205 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.407 14.766 0.855 1.00 0.00 H new ATOM 1129 N GLN A 74 -11.270 8.142 4.582 1.00 0.00 N ATOM 1130 CA GLN A 74 -10.056 7.383 4.828 1.00 0.00 C ATOM 1131 C GLN A 74 -10.118 6.034 4.109 1.00 0.00 C ATOM 1132 O GLN A 74 -9.257 5.723 3.287 1.00 0.00 O ATOM 1133 CB GLN A 74 -9.821 7.195 6.328 1.00 0.00 C ATOM 1134 CG GLN A 74 -9.317 8.489 6.970 1.00 0.00 C ATOM 1135 CD GLN A 74 -7.880 8.791 6.541 1.00 0.00 C ATOM 1136 OE1 GLN A 74 -7.384 8.290 5.545 1.00 0.00 O ATOM 1137 NE2 GLN A 74 -7.241 9.635 7.346 1.00 0.00 N ATOM 0 H GLN A 74 -11.650 8.616 5.401 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.212 7.946 4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.748 6.883 6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.095 6.398 6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.967 9.317 6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.366 8.403 8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.715 10.018 8.164 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.276 9.899 7.146 1.00 0.00 H new ATOM 1146 N MET A 75 -11.146 5.268 4.445 1.00 0.00 N ATOM 1147 CA MET A 75 -11.332 3.959 3.842 1.00 0.00 C ATOM 1148 C MET A 75 -11.224 4.037 2.318 1.00 0.00 C ATOM 1149 O MET A 75 -10.503 3.254 1.702 1.00 0.00 O ATOM 1150 CB MET A 75 -12.706 3.409 4.229 1.00 0.00 C ATOM 1151 CG MET A 75 -12.634 2.632 5.545 1.00 0.00 C ATOM 1152 SD MET A 75 -13.110 0.932 5.278 1.00 0.00 S ATOM 1153 CE MET A 75 -12.646 0.229 6.851 1.00 0.00 C ATOM 0 H MET A 75 -11.858 5.529 5.127 1.00 0.00 H new ATOM 0 HA MET A 75 -10.549 3.296 4.210 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.416 4.230 4.326 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.077 2.758 3.438 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.622 2.676 5.948 1.00 0.00 H new ATOM 0 HG3 MET A 75 -13.291 3.090 6.284 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.164 -0.719 6.993 1.00 0.00 H new ATOM 0 HE2 MET A 75 -11.569 0.061 6.871 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.921 0.916 7.652 1.00 0.00 H new ATOM 1163 N GLU A 76 -11.952 4.989 1.753 1.00 0.00 N ATOM 1164 CA GLU A 76 -11.948 5.180 0.313 1.00 0.00 C ATOM 1165 C GLU A 76 -10.511 5.284 -0.205 1.00 0.00 C ATOM 1166 O GLU A 76 -10.135 4.588 -1.147 1.00 0.00 O ATOM 1167 CB GLU A 76 -12.762 6.414 -0.080 1.00 0.00 C ATOM 1168 CG GLU A 76 -14.168 6.021 -0.538 1.00 0.00 C ATOM 1169 CD GLU A 76 -14.373 6.347 -2.019 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -14.015 5.481 -2.846 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -14.884 7.455 -2.290 1.00 0.00 O ATOM 0 H GLU A 76 -12.549 5.637 2.267 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.419 4.313 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.829 7.095 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.252 6.951 -0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.324 4.955 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.910 6.549 0.061 1.00 0.00 H new ATOM 1178 N GLN A 77 -9.748 6.158 0.435 1.00 0.00 N ATOM 1179 CA GLN A 77 -8.361 6.361 0.051 1.00 0.00 C ATOM 1180 C GLN A 77 -7.705 5.024 -0.296 1.00 0.00 C ATOM 1181 O GLN A 77 -7.158 4.861 -1.386 1.00 0.00 O ATOM 1182 CB GLN A 77 -7.587 7.082 1.157 1.00 0.00 C ATOM 1183 CG GLN A 77 -6.771 8.244 0.586 1.00 0.00 C ATOM 1184 CD GLN A 77 -7.686 9.328 0.015 1.00 0.00 C ATOM 1185 OE1 GLN A 77 -8.742 9.629 0.547 1.00 0.00 O ATOM 1186 NE2 GLN A 77 -7.225 9.897 -1.095 1.00 0.00 N ATOM 0 H GLN A 77 -10.063 6.733 1.216 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.338 6.994 -0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.283 7.456 1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.923 6.379 1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.141 8.669 1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.105 7.876 -0.195 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.333 9.598 -1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.764 10.632 -1.553 1.00 0.00 H new ATOM 1195 N VAL A 78 -7.780 4.100 0.651 1.00 0.00 N ATOM 1196 CA VAL A 78 -7.200 2.782 0.459 1.00 0.00 C ATOM 1197 C VAL A 78 -7.874 2.102 -0.734 1.00 0.00 C ATOM 1198 O VAL A 78 -7.204 1.696 -1.682 1.00 0.00 O ATOM 1199 CB VAL A 78 -7.307 1.970 1.751 1.00 0.00 C ATOM 1200 CG1 VAL A 78 -6.657 0.594 1.589 1.00 0.00 C ATOM 1201 CG2 VAL A 78 -6.697 2.730 2.929 1.00 0.00 C ATOM 0 H VAL A 78 -8.234 4.239 1.554 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.137 2.862 0.229 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.365 1.817 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.747 0.037 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.158 0.047 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.603 0.717 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.787 2.130 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.644 2.929 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.225 3.674 3.065 1.00 0.00 H new ATOM 1211 N ALA A 79 -9.192 1.998 -0.647 1.00 0.00 N ATOM 1212 CA ALA A 79 -9.965 1.373 -1.707 1.00 0.00 C ATOM 1213 C ALA A 79 -9.437 1.846 -3.064 1.00 0.00 C ATOM 1214 O ALA A 79 -9.153 1.031 -3.941 1.00 0.00 O ATOM 1215 CB ALA A 79 -11.449 1.695 -1.515 1.00 0.00 C ATOM 0 H ALA A 79 -9.744 2.336 0.141 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.859 0.289 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.029 1.226 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.782 1.314 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.594 2.775 -1.548 1.00 0.00 H new ATOM 1221 N GLN A 80 -9.321 3.159 -3.193 1.00 0.00 N ATOM 1222 CA GLN A 80 -8.833 3.749 -4.427 1.00 0.00 C ATOM 1223 C GLN A 80 -7.537 3.064 -4.866 1.00 0.00 C ATOM 1224 O GLN A 80 -7.348 2.786 -6.050 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.630 5.258 -4.271 1.00 0.00 C ATOM 1226 CG GLN A 80 -9.959 5.965 -4.001 1.00 0.00 C ATOM 1227 CD GLN A 80 -9.753 7.470 -3.819 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -9.347 8.181 -4.724 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -10.054 7.914 -2.602 1.00 0.00 N ATOM 0 H GLN A 80 -9.557 3.831 -2.463 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.584 3.595 -5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.938 5.453 -3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.176 5.663 -5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.645 5.786 -4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.422 5.547 -3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.389 7.264 -1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.950 8.904 -2.380 1.00 0.00 H new ATOM 1238 N PHE A 81 -6.678 2.812 -3.890 1.00 0.00 N ATOM 1239 CA PHE A 81 -5.406 2.164 -4.161 1.00 0.00 C ATOM 1240 C PHE A 81 -5.598 0.673 -4.440 1.00 0.00 C ATOM 1241 O PHE A 81 -5.031 0.137 -5.391 1.00 0.00 O ATOM 1242 CB PHE A 81 -4.544 2.329 -2.907 1.00 0.00 C ATOM 1243 CG PHE A 81 -3.666 1.117 -2.592 1.00 0.00 C ATOM 1244 CD1 PHE A 81 -2.854 0.597 -3.551 1.00 0.00 C ATOM 1245 CD2 PHE A 81 -3.697 0.559 -1.352 1.00 0.00 C ATOM 1246 CE1 PHE A 81 -2.039 -0.528 -3.258 1.00 0.00 C ATOM 1247 CE2 PHE A 81 -2.882 -0.567 -1.059 1.00 0.00 C ATOM 1248 CZ PHE A 81 -2.070 -1.086 -2.018 1.00 0.00 C ATOM 0 H PHE A 81 -6.838 3.045 -2.910 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.940 2.613 -5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.906 3.205 -3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.194 2.525 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.829 1.040 -4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.341 0.972 -0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.394 -0.941 -4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.907 -1.011 -0.075 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.450 -1.941 -1.795 1.00 0.00 H new ATOM 1258 N LEU A 82 -6.400 0.043 -3.594 1.00 0.00 N ATOM 1259 CA LEU A 82 -6.674 -1.376 -3.738 1.00 0.00 C ATOM 1260 C LEU A 82 -7.044 -1.675 -5.193 1.00 0.00 C ATOM 1261 O LEU A 82 -6.303 -2.361 -5.896 1.00 0.00 O ATOM 1262 CB LEU A 82 -7.736 -1.822 -2.730 1.00 0.00 C ATOM 1263 CG LEU A 82 -7.246 -2.059 -1.301 1.00 0.00 C ATOM 1264 CD1 LEU A 82 -8.416 -2.367 -0.364 1.00 0.00 C ATOM 1265 CD2 LEU A 82 -6.177 -3.154 -1.262 1.00 0.00 C ATOM 0 H LEU A 82 -6.869 0.490 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.783 -1.961 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.522 -1.068 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.190 -2.743 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.780 -1.141 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.040 -2.531 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.110 -1.527 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.932 -3.263 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.846 -3.303 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.595 -4.084 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.328 -2.856 -1.877 1.00 0.00 H new ATOM 1277 N LYS A 83 -8.188 -1.146 -5.600 1.00 0.00 N ATOM 1278 CA LYS A 83 -8.664 -1.347 -6.958 1.00 0.00 C ATOM 1279 C LYS A 83 -7.526 -1.062 -7.940 1.00 0.00 C ATOM 1280 O LYS A 83 -7.344 -1.792 -8.913 1.00 0.00 O ATOM 1281 CB LYS A 83 -9.921 -0.514 -7.214 1.00 0.00 C ATOM 1282 CG LYS A 83 -11.117 -1.074 -6.441 1.00 0.00 C ATOM 1283 CD LYS A 83 -12.126 -1.726 -7.389 1.00 0.00 C ATOM 1284 CE LYS A 83 -13.561 -1.452 -6.935 1.00 0.00 C ATOM 1285 NZ LYS A 83 -14.302 -0.711 -7.979 1.00 0.00 N ATOM 0 H LYS A 83 -8.799 -0.578 -5.013 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.962 -2.385 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.743 0.520 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.145 -0.505 -8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.772 -1.807 -5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.602 -0.273 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.981 -1.343 -8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.952 -2.801 -7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.067 -2.393 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.552 -0.877 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.274 -0.533 -7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.827 0.196 -8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.326 -1.274 -8.853 1.00 0.00 H new ATOM 1299 N ALA A 84 -6.791 0.002 -7.652 1.00 0.00 N ATOM 1300 CA ALA A 84 -5.676 0.393 -8.498 1.00 0.00 C ATOM 1301 C ALA A 84 -4.627 -0.720 -8.497 1.00 0.00 C ATOM 1302 O ALA A 84 -4.018 -1.005 -9.527 1.00 0.00 O ATOM 1303 CB ALA A 84 -5.110 1.729 -8.012 1.00 0.00 C ATOM 0 H ALA A 84 -6.946 0.606 -6.844 1.00 0.00 H new ATOM 0 HA ALA A 84 -6.006 0.534 -9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.274 2.022 -8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.887 2.492 -8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.766 1.626 -6.983 1.00 0.00 H new ATOM 1309 N ALA A 85 -4.446 -1.319 -7.329 1.00 0.00 N ATOM 1310 CA ALA A 85 -3.480 -2.394 -7.180 1.00 0.00 C ATOM 1311 C ALA A 85 -3.893 -3.571 -8.067 1.00 0.00 C ATOM 1312 O ALA A 85 -3.045 -4.332 -8.529 1.00 0.00 O ATOM 1313 CB ALA A 85 -3.374 -2.785 -5.705 1.00 0.00 C ATOM 0 H ALA A 85 -4.952 -1.080 -6.477 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.491 -2.069 -7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.649 -3.591 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.050 -1.923 -5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.347 -3.120 -5.346 1.00 0.00 H new ATOM 1319 N GLU A 86 -5.197 -3.683 -8.277 1.00 0.00 N ATOM 1320 CA GLU A 86 -5.733 -4.754 -9.099 1.00 0.00 C ATOM 1321 C GLU A 86 -5.312 -4.565 -10.558 1.00 0.00 C ATOM 1322 O GLU A 86 -4.776 -5.482 -11.177 1.00 0.00 O ATOM 1323 CB GLU A 86 -7.255 -4.833 -8.973 1.00 0.00 C ATOM 1324 CG GLU A 86 -7.719 -6.284 -8.828 1.00 0.00 C ATOM 1325 CD GLU A 86 -7.985 -6.914 -10.197 1.00 0.00 C ATOM 1326 OE1 GLU A 86 -6.987 -7.180 -10.902 1.00 0.00 O ATOM 1327 OE2 GLU A 86 -9.179 -7.116 -10.507 1.00 0.00 O ATOM 0 H GLU A 86 -5.898 -3.049 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.323 -5.699 -8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.582 -4.255 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.720 -4.385 -9.851 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.960 -6.861 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.626 -6.321 -8.224 1.00 0.00 H new ATOM 1334 N ASP A 87 -5.571 -3.368 -11.064 1.00 0.00 N ATOM 1335 CA ASP A 87 -5.227 -3.046 -12.439 1.00 0.00 C ATOM 1336 C ASP A 87 -3.771 -3.439 -12.700 1.00 0.00 C ATOM 1337 O ASP A 87 -3.459 -4.023 -13.736 1.00 0.00 O ATOM 1338 CB ASP A 87 -5.367 -1.546 -12.705 1.00 0.00 C ATOM 1339 CG ASP A 87 -6.806 -1.044 -12.835 1.00 0.00 C ATOM 1340 OD1 ASP A 87 -7.411 -1.324 -13.893 1.00 0.00 O ATOM 1341 OD2 ASP A 87 -7.269 -0.392 -11.875 1.00 0.00 O ATOM 0 H ASP A 87 -6.015 -2.609 -10.547 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.905 -3.593 -13.094 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.880 -1.002 -11.896 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.829 -1.303 -13.621 1.00 0.00 H new ATOM 1346 N TYR A 88 -2.920 -3.102 -11.742 1.00 0.00 N ATOM 1347 CA TYR A 88 -1.505 -3.412 -11.856 1.00 0.00 C ATOM 1348 C TYR A 88 -1.295 -4.849 -12.338 1.00 0.00 C ATOM 1349 O TYR A 88 -0.377 -5.121 -13.110 1.00 0.00 O ATOM 1350 CB TYR A 88 -0.927 -3.270 -10.446 1.00 0.00 C ATOM 1351 CG TYR A 88 0.571 -2.961 -10.416 1.00 0.00 C ATOM 1352 CD1 TYR A 88 1.048 -1.799 -10.986 1.00 0.00 C ATOM 1353 CD2 TYR A 88 1.445 -3.846 -9.817 1.00 0.00 C ATOM 1354 CE1 TYR A 88 2.458 -1.509 -10.957 1.00 0.00 C ATOM 1355 CE2 TYR A 88 2.856 -3.556 -9.789 1.00 0.00 C ATOM 1356 CZ TYR A 88 3.292 -2.402 -10.360 1.00 0.00 C ATOM 1357 OH TYR A 88 4.624 -2.127 -10.333 1.00 0.00 O ATOM 0 H TYR A 88 -3.183 -2.618 -10.884 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.024 -2.748 -12.574 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.462 -2.477 -9.923 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.108 -4.193 -9.895 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.364 -1.107 -11.454 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.071 -4.755 -9.370 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.845 -0.603 -11.399 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.551 -4.240 -9.325 1.00 0.00 H new ATOM 0 HH TYR A 88 4.768 -1.183 -10.555 1.00 0.00 H new ATOM 1367 N GLY A 89 -2.162 -5.731 -11.862 1.00 0.00 N ATOM 1368 CA GLY A 89 -2.083 -7.133 -12.234 1.00 0.00 C ATOM 1369 C GLY A 89 -2.037 -8.028 -10.994 1.00 0.00 C ATOM 1370 O GLY A 89 -1.307 -9.018 -10.965 1.00 0.00 O ATOM 0 H GLY A 89 -2.922 -5.502 -11.222 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.944 -7.399 -12.847 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.194 -7.302 -12.842 1.00 0.00 H new ATOM 1374 N VAL A 90 -2.825 -7.647 -9.999 1.00 0.00 N ATOM 1375 CA VAL A 90 -2.883 -8.403 -8.759 1.00 0.00 C ATOM 1376 C VAL A 90 -4.178 -9.216 -8.723 1.00 0.00 C ATOM 1377 O VAL A 90 -5.240 -8.716 -9.090 1.00 0.00 O ATOM 1378 CB VAL A 90 -2.736 -7.459 -7.564 1.00 0.00 C ATOM 1379 CG1 VAL A 90 -3.044 -8.184 -6.252 1.00 0.00 C ATOM 1380 CG2 VAL A 90 -1.341 -6.832 -7.529 1.00 0.00 C ATOM 0 H VAL A 90 -3.428 -6.825 -10.026 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.054 -9.109 -8.702 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.462 -6.654 -7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.932 -7.491 -5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.066 -8.561 -6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.353 -9.017 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.263 -6.165 -6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.591 -7.618 -7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.174 -6.265 -8.445 1.00 0.00 H new ATOM 1390 N ILE A 91 -4.047 -10.458 -8.278 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.194 -11.345 -8.189 1.00 0.00 C ATOM 1392 C ILE A 91 -6.144 -10.837 -7.103 1.00 0.00 C ATOM 1393 O ILE A 91 -5.919 -9.776 -6.523 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.738 -12.791 -7.980 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.746 -12.890 -6.819 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -4.168 -13.378 -9.272 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.653 -14.326 -6.299 1.00 0.00 C ATOM 0 H ILE A 91 -3.164 -10.870 -7.976 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.751 -11.343 -9.126 1.00 0.00 H new ATOM 0 HB ILE A 91 -5.609 -13.389 -7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.762 -12.554 -7.147 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -4.057 -12.227 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.851 -14.406 -9.096 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.934 -13.362 -10.048 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.312 -12.785 -9.594 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.941 -14.369 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.633 -14.651 -5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.318 -14.983 -7.102 1.00 0.00 H new ATOM 1409 N LYS A 92 -7.186 -11.618 -6.860 1.00 0.00 N ATOM 1410 CA LYS A 92 -8.172 -11.260 -5.854 1.00 0.00 C ATOM 1411 C LYS A 92 -7.881 -12.032 -4.565 1.00 0.00 C ATOM 1412 O LYS A 92 -8.391 -11.685 -3.501 1.00 0.00 O ATOM 1413 CB LYS A 92 -9.588 -11.472 -6.392 1.00 0.00 C ATOM 1414 CG LYS A 92 -10.572 -11.749 -5.253 1.00 0.00 C ATOM 1415 CD LYS A 92 -12.000 -11.380 -5.660 1.00 0.00 C ATOM 1416 CE LYS A 92 -12.646 -12.505 -6.472 1.00 0.00 C ATOM 1417 NZ LYS A 92 -12.972 -12.036 -7.837 1.00 0.00 N ATOM 0 H LYS A 92 -7.369 -12.498 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 92 -8.104 -10.199 -5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.906 -10.589 -6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.593 -12.307 -7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -10.529 -12.803 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.283 -11.178 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -12.596 -11.181 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.989 -10.462 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.969 -13.358 -6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.552 -12.848 -5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -13.410 -12.811 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.635 -11.237 -7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.101 -11.730 -8.316 1.00 0.00 H new ATOM 1431 N THR A 93 -7.063 -13.065 -4.703 1.00 0.00 N ATOM 1432 CA THR A 93 -6.699 -13.889 -3.563 1.00 0.00 C ATOM 1433 C THR A 93 -5.429 -13.351 -2.900 1.00 0.00 C ATOM 1434 O THR A 93 -4.926 -13.939 -1.945 1.00 0.00 O ATOM 1435 CB THR A 93 -6.566 -15.334 -4.047 1.00 0.00 C ATOM 1436 OG1 THR A 93 -7.733 -15.977 -3.544 1.00 0.00 O ATOM 1437 CG2 THR A 93 -5.411 -16.074 -3.370 1.00 0.00 C ATOM 0 H THR A 93 -6.642 -13.350 -5.587 1.00 0.00 H new ATOM 0 HA THR A 93 -7.469 -13.859 -2.792 1.00 0.00 H new ATOM 0 HB THR A 93 -6.419 -15.343 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.729 -16.919 -3.813 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.361 -17.095 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.474 -15.560 -3.585 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.574 -16.095 -2.292 1.00 0.00 H new ATOM 1445 N ASP A 94 -4.947 -12.238 -3.434 1.00 0.00 N ATOM 1446 CA ASP A 94 -3.746 -11.614 -2.907 1.00 0.00 C ATOM 1447 C ASP A 94 -4.119 -10.296 -2.224 1.00 0.00 C ATOM 1448 O ASP A 94 -3.372 -9.794 -1.385 1.00 0.00 O ATOM 1449 CB ASP A 94 -2.750 -11.302 -4.025 1.00 0.00 C ATOM 1450 CG ASP A 94 -2.002 -12.515 -4.582 1.00 0.00 C ATOM 1451 OD1 ASP A 94 -2.197 -13.611 -4.014 1.00 0.00 O ATOM 1452 OD2 ASP A 94 -1.253 -12.318 -5.563 1.00 0.00 O ATOM 0 H ASP A 94 -5.367 -11.752 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.289 -12.307 -2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.284 -10.817 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.020 -10.584 -3.651 1.00 0.00 H new ATOM 1457 N MET A 95 -5.273 -9.773 -2.610 1.00 0.00 N ATOM 1458 CA MET A 95 -5.754 -8.523 -2.046 1.00 0.00 C ATOM 1459 C MET A 95 -6.335 -8.740 -0.647 1.00 0.00 C ATOM 1460 O MET A 95 -6.547 -9.877 -0.229 1.00 0.00 O ATOM 1461 CB MET A 95 -6.829 -7.930 -2.959 1.00 0.00 C ATOM 1462 CG MET A 95 -6.234 -7.511 -4.305 1.00 0.00 C ATOM 1463 SD MET A 95 -5.082 -6.168 -4.072 1.00 0.00 S ATOM 1464 CE MET A 95 -6.149 -4.780 -4.421 1.00 0.00 C ATOM 0 H MET A 95 -5.889 -10.192 -3.307 1.00 0.00 H new ATOM 0 HA MET A 95 -4.912 -7.835 -1.967 1.00 0.00 H new ATOM 0 HB2 MET A 95 -7.620 -8.663 -3.119 1.00 0.00 H new ATOM 0 HB3 MET A 95 -7.287 -7.067 -2.475 1.00 0.00 H new ATOM 0 HG2 MET A 95 -5.728 -8.358 -4.768 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.030 -7.205 -4.984 1.00 0.00 H new ATOM 0 HE1 MET A 95 -5.730 -3.878 -3.976 1.00 0.00 H new ATOM 0 HE2 MET A 95 -6.233 -4.648 -5.500 1.00 0.00 H new ATOM 0 HE3 MET A 95 -7.137 -4.966 -4.001 1.00 0.00 H new ATOM 1474 N PHE A 96 -6.576 -7.631 0.037 1.00 0.00 N ATOM 1475 CA PHE A 96 -7.129 -7.686 1.380 1.00 0.00 C ATOM 1476 C PHE A 96 -8.336 -6.756 1.514 1.00 0.00 C ATOM 1477 O PHE A 96 -8.706 -6.071 0.562 1.00 0.00 O ATOM 1478 CB PHE A 96 -6.030 -7.217 2.335 1.00 0.00 C ATOM 1479 CG PHE A 96 -5.676 -5.735 2.197 1.00 0.00 C ATOM 1480 CD1 PHE A 96 -4.768 -5.337 1.266 1.00 0.00 C ATOM 1481 CD2 PHE A 96 -6.269 -4.817 3.006 1.00 0.00 C ATOM 1482 CE1 PHE A 96 -4.440 -3.961 1.138 1.00 0.00 C ATOM 1483 CE2 PHE A 96 -5.941 -3.441 2.878 1.00 0.00 C ATOM 1484 CZ PHE A 96 -5.033 -3.042 1.947 1.00 0.00 C ATOM 0 H PHE A 96 -6.399 -6.690 -0.313 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.459 -8.700 1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.347 -7.410 3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.133 -7.812 2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.297 -6.067 0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -6.989 -5.134 3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.720 -3.644 0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.412 -2.712 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 96 -4.783 -1.996 1.850 1.00 0.00 H new ATOM 1494 N GLN A 97 -8.917 -6.761 2.705 1.00 0.00 N ATOM 1495 CA GLN A 97 -10.075 -5.926 2.977 1.00 0.00 C ATOM 1496 C GLN A 97 -9.653 -4.662 3.727 1.00 0.00 C ATOM 1497 O GLN A 97 -8.915 -4.735 4.708 1.00 0.00 O ATOM 1498 CB GLN A 97 -11.137 -6.700 3.760 1.00 0.00 C ATOM 1499 CG GLN A 97 -11.979 -7.573 2.827 1.00 0.00 C ATOM 1500 CD GLN A 97 -13.438 -7.619 3.287 1.00 0.00 C ATOM 1501 OE1 GLN A 97 -13.769 -8.149 4.334 1.00 0.00 O ATOM 1502 NE2 GLN A 97 -14.288 -7.036 2.447 1.00 0.00 N ATOM 0 H GLN A 97 -8.607 -7.330 3.493 1.00 0.00 H new ATOM 0 HA GLN A 97 -10.517 -5.630 2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.656 -7.325 4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.783 -6.001 4.292 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -11.926 -7.182 1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.570 -8.583 2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.943 -6.611 1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.285 -7.014 2.663 1.00 0.00 H new ATOM 1511 N THR A 98 -10.140 -3.531 3.238 1.00 0.00 N ATOM 1512 CA THR A 98 -9.823 -2.252 3.850 1.00 0.00 C ATOM 1513 C THR A 98 -9.756 -2.392 5.372 1.00 0.00 C ATOM 1514 O THR A 98 -8.811 -1.920 6.002 1.00 0.00 O ATOM 1515 CB THR A 98 -10.861 -1.232 3.379 1.00 0.00 C ATOM 1516 OG1 THR A 98 -10.988 -1.486 1.982 1.00 0.00 O ATOM 1517 CG2 THR A 98 -10.343 0.206 3.450 1.00 0.00 C ATOM 0 H THR A 98 -10.752 -3.474 2.424 1.00 0.00 H new ATOM 0 HA THR A 98 -8.838 -1.900 3.543 1.00 0.00 H new ATOM 0 HB THR A 98 -11.762 -1.324 3.986 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.644 -0.869 1.596 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.119 0.890 3.105 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.079 0.447 4.480 1.00 0.00 H new ATOM 0 HG23 THR A 98 -9.462 0.307 2.816 1.00 0.00 H new ATOM 1525 N VAL A 99 -10.772 -3.042 5.920 1.00 0.00 N ATOM 1526 CA VAL A 99 -10.841 -3.250 7.357 1.00 0.00 C ATOM 1527 C VAL A 99 -9.571 -3.963 7.825 1.00 0.00 C ATOM 1528 O VAL A 99 -8.901 -3.503 8.748 1.00 0.00 O ATOM 1529 CB VAL A 99 -12.120 -4.009 7.715 1.00 0.00 C ATOM 1530 CG1 VAL A 99 -12.029 -5.473 7.281 1.00 0.00 C ATOM 1531 CG2 VAL A 99 -12.422 -3.899 9.211 1.00 0.00 C ATOM 0 H VAL A 99 -11.555 -3.432 5.395 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.889 -2.295 7.880 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.945 -3.549 7.171 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.951 -5.989 7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.883 -5.524 6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -11.188 -5.950 7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -13.336 -4.447 9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.594 -4.321 9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.551 -2.851 9.480 1.00 0.00 H new ATOM 1541 N ASP A 100 -9.279 -5.076 7.168 1.00 0.00 N ATOM 1542 CA ASP A 100 -8.102 -5.858 7.506 1.00 0.00 C ATOM 1543 C ASP A 100 -6.937 -4.913 7.810 1.00 0.00 C ATOM 1544 O ASP A 100 -6.059 -5.239 8.607 1.00 0.00 O ATOM 1545 CB ASP A 100 -7.687 -6.761 6.343 1.00 0.00 C ATOM 1546 CG ASP A 100 -8.749 -7.767 5.895 1.00 0.00 C ATOM 1547 OD1 ASP A 100 -9.800 -7.820 6.569 1.00 0.00 O ATOM 1548 OD2 ASP A 100 -8.485 -8.460 4.889 1.00 0.00 O ATOM 0 H ASP A 100 -9.837 -5.455 6.403 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.344 -6.474 8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.421 -6.133 5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.788 -7.307 6.630 1.00 0.00 H new ATOM 1553 N LEU A 101 -6.967 -3.760 7.157 1.00 0.00 N ATOM 1554 CA LEU A 101 -5.925 -2.765 7.347 1.00 0.00 C ATOM 1555 C LEU A 101 -6.425 -1.687 8.311 1.00 0.00 C ATOM 1556 O LEU A 101 -5.857 -1.499 9.386 1.00 0.00 O ATOM 1557 CB LEU A 101 -5.457 -2.215 5.998 1.00 0.00 C ATOM 1558 CG LEU A 101 -4.582 -0.962 6.052 1.00 0.00 C ATOM 1559 CD1 LEU A 101 -3.372 -1.177 6.963 1.00 0.00 C ATOM 1560 CD2 LEU A 101 -4.169 -0.520 4.646 1.00 0.00 C ATOM 0 H LEU A 101 -7.696 -3.493 6.496 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.045 -3.218 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.903 -2.999 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.337 -1.994 5.393 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.171 -0.153 6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.766 -0.271 6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.713 -1.409 7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.773 -2.005 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.548 0.373 4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.605 -1.319 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.060 -0.299 4.058 1.00 0.00 H new ATOM 1572 N TYR A 102 -7.481 -1.007 7.891 1.00 0.00 N ATOM 1573 CA TYR A 102 -8.063 0.048 8.704 1.00 0.00 C ATOM 1574 C TYR A 102 -8.234 -0.409 10.154 1.00 0.00 C ATOM 1575 O TYR A 102 -7.704 0.216 11.072 1.00 0.00 O ATOM 1576 CB TYR A 102 -9.443 0.329 8.105 1.00 0.00 C ATOM 1577 CG TYR A 102 -10.020 1.693 8.486 1.00 0.00 C ATOM 1578 CD1 TYR A 102 -9.316 2.845 8.199 1.00 0.00 C ATOM 1579 CD2 TYR A 102 -11.246 1.773 9.116 1.00 0.00 C ATOM 1580 CE1 TYR A 102 -9.860 4.129 8.557 1.00 0.00 C ATOM 1581 CE2 TYR A 102 -11.789 3.057 9.475 1.00 0.00 C ATOM 1582 CZ TYR A 102 -11.069 4.172 9.178 1.00 0.00 C ATOM 1583 OH TYR A 102 -11.583 5.385 9.516 1.00 0.00 O ATOM 0 H TYR A 102 -7.949 -1.166 6.999 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.421 0.929 8.707 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.376 0.265 7.019 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -10.134 -0.450 8.429 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.357 2.783 7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -11.798 0.872 9.340 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.320 5.038 8.337 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -12.746 3.133 9.969 1.00 0.00 H new ATOM 0 HH TYR A 102 -10.961 6.091 9.243 1.00 0.00 H new ATOM 1593 N GLU A 103 -8.975 -1.495 10.316 1.00 0.00 N ATOM 1594 CA GLU A 103 -9.221 -2.043 11.639 1.00 0.00 C ATOM 1595 C GLU A 103 -8.264 -3.202 11.921 1.00 0.00 C ATOM 1596 O GLU A 103 -8.552 -4.062 12.752 1.00 0.00 O ATOM 1597 CB GLU A 103 -10.678 -2.486 11.786 1.00 0.00 C ATOM 1598 CG GLU A 103 -11.635 -1.398 11.296 1.00 0.00 C ATOM 1599 CD GLU A 103 -11.598 -0.179 12.220 1.00 0.00 C ATOM 1600 OE1 GLU A 103 -11.304 -0.383 13.417 1.00 0.00 O ATOM 1601 OE2 GLU A 103 -11.866 0.930 11.708 1.00 0.00 O ATOM 0 H GLU A 103 -9.413 -2.010 9.553 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.037 -1.260 12.375 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.842 -3.402 11.218 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.888 -2.716 12.830 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.364 -1.100 10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.649 -1.794 11.251 1.00 0.00 H new ATOM 1608 N GLY A 104 -7.144 -3.189 11.213 1.00 0.00 N ATOM 1609 CA GLY A 104 -6.143 -4.229 11.376 1.00 0.00 C ATOM 1610 C GLY A 104 -6.800 -5.593 11.595 1.00 0.00 C ATOM 1611 O GLY A 104 -6.287 -6.419 12.348 1.00 0.00 O ATOM 0 H GLY A 104 -6.908 -2.474 10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.505 -4.266 10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.500 -3.991 12.224 1.00 0.00 H new ATOM 1615 N LYS A 105 -7.925 -5.787 10.922 1.00 0.00 N ATOM 1616 CA LYS A 105 -8.657 -7.037 11.033 1.00 0.00 C ATOM 1617 C LYS A 105 -7.731 -8.200 10.671 1.00 0.00 C ATOM 1618 O LYS A 105 -7.963 -9.335 11.085 1.00 0.00 O ATOM 1619 CB LYS A 105 -9.936 -6.986 10.195 1.00 0.00 C ATOM 1620 CG LYS A 105 -11.178 -7.041 11.086 1.00 0.00 C ATOM 1621 CD LYS A 105 -12.052 -8.247 10.733 1.00 0.00 C ATOM 1622 CE LYS A 105 -13.402 -7.799 10.168 1.00 0.00 C ATOM 1623 NZ LYS A 105 -14.445 -7.850 11.217 1.00 0.00 N ATOM 0 H LYS A 105 -8.347 -5.099 10.298 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.983 -7.197 12.061 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.950 -6.072 9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.949 -7.821 9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.877 -7.099 12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.754 -6.123 10.970 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.538 -8.872 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.210 -8.858 11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.321 -6.785 9.777 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.685 -8.441 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.355 -7.543 10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.534 -8.824 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.181 -7.219 12.000 1.00 0.00 H new ATOM 1637 N ASP A 106 -6.701 -7.877 9.903 1.00 0.00 N ATOM 1638 CA ASP A 106 -5.739 -8.881 9.480 1.00 0.00 C ATOM 1639 C ASP A 106 -4.613 -8.203 8.697 1.00 0.00 C ATOM 1640 O ASP A 106 -4.838 -7.679 7.607 1.00 0.00 O ATOM 1641 CB ASP A 106 -6.392 -9.920 8.567 1.00 0.00 C ATOM 1642 CG ASP A 106 -6.436 -11.341 9.132 1.00 0.00 C ATOM 1643 OD1 ASP A 106 -6.036 -11.497 10.306 1.00 0.00 O ATOM 1644 OD2 ASP A 106 -6.869 -12.238 8.378 1.00 0.00 O ATOM 0 H ASP A 106 -6.511 -6.934 9.563 1.00 0.00 H new ATOM 0 HA ASP A 106 -5.354 -9.377 10.371 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.411 -9.600 8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.854 -9.938 7.619 1.00 0.00 H new ATOM 1649 N MET A 107 -3.424 -8.236 9.282 1.00 0.00 N ATOM 1650 CA MET A 107 -2.263 -7.632 8.652 1.00 0.00 C ATOM 1651 C MET A 107 -1.599 -8.607 7.677 1.00 0.00 C ATOM 1652 O MET A 107 -1.069 -8.194 6.647 1.00 0.00 O ATOM 1653 CB MET A 107 -1.255 -7.220 9.728 1.00 0.00 C ATOM 1654 CG MET A 107 -1.955 -6.528 10.898 1.00 0.00 C ATOM 1655 SD MET A 107 -3.094 -5.297 10.287 1.00 0.00 S ATOM 1656 CE MET A 107 -1.959 -4.228 9.418 1.00 0.00 C ATOM 0 H MET A 107 -3.240 -8.672 10.186 1.00 0.00 H new ATOM 0 HA MET A 107 -2.591 -6.755 8.093 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.722 -8.100 10.088 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.511 -6.550 9.297 1.00 0.00 H new ATOM 0 HG2 MET A 107 -2.490 -7.264 11.499 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.216 -6.061 11.549 1.00 0.00 H new ATOM 0 HE1 MET A 107 -2.482 -3.328 9.094 1.00 0.00 H new ATOM 0 HE2 MET A 107 -1.139 -3.952 10.081 1.00 0.00 H new ATOM 0 HE3 MET A 107 -1.562 -4.750 8.548 1.00 0.00 H new ATOM 1666 N ALA A 108 -1.651 -9.881 8.036 1.00 0.00 N ATOM 1667 CA ALA A 108 -1.061 -10.917 7.206 1.00 0.00 C ATOM 1668 C ALA A 108 -1.569 -10.765 5.771 1.00 0.00 C ATOM 1669 O ALA A 108 -0.783 -10.777 4.825 1.00 0.00 O ATOM 1670 CB ALA A 108 -1.385 -12.291 7.797 1.00 0.00 C ATOM 0 H ALA A 108 -2.093 -10.219 8.891 1.00 0.00 H new ATOM 0 HA ALA A 108 0.024 -10.820 7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.942 -13.068 7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.978 -12.358 8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.466 -12.426 7.832 1.00 0.00 H new ATOM 1676 N ALA A 109 -2.882 -10.626 5.653 1.00 0.00 N ATOM 1677 CA ALA A 109 -3.504 -10.472 4.350 1.00 0.00 C ATOM 1678 C ALA A 109 -3.076 -9.136 3.740 1.00 0.00 C ATOM 1679 O ALA A 109 -2.585 -9.093 2.613 1.00 0.00 O ATOM 1680 CB ALA A 109 -5.023 -10.588 4.492 1.00 0.00 C ATOM 0 H ALA A 109 -3.532 -10.617 6.439 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.179 -11.263 3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.490 -10.472 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -5.277 -11.566 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -5.386 -9.809 5.162 1.00 0.00 H new ATOM 1686 N VAL A 110 -3.278 -8.078 4.511 1.00 0.00 N ATOM 1687 CA VAL A 110 -2.920 -6.744 4.061 1.00 0.00 C ATOM 1688 C VAL A 110 -1.497 -6.766 3.498 1.00 0.00 C ATOM 1689 O VAL A 110 -1.151 -5.951 2.644 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.095 -5.741 5.203 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.605 -4.351 4.792 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -4.551 -5.693 5.671 1.00 0.00 C ATOM 0 H VAL A 110 -3.685 -8.118 5.445 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.583 -6.421 3.259 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.484 -6.077 6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.741 -3.657 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.548 -4.401 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.177 -4.003 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.649 -4.973 6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.190 -5.393 4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.853 -6.680 6.023 1.00 0.00 H new ATOM 1702 N GLN A 111 -0.711 -7.707 3.999 1.00 0.00 N ATOM 1703 CA GLN A 111 0.666 -7.846 3.558 1.00 0.00 C ATOM 1704 C GLN A 111 0.729 -8.661 2.264 1.00 0.00 C ATOM 1705 O GLN A 111 1.359 -8.244 1.293 1.00 0.00 O ATOM 1706 CB GLN A 111 1.531 -8.480 4.649 1.00 0.00 C ATOM 1707 CG GLN A 111 1.772 -7.499 5.797 1.00 0.00 C ATOM 1708 CD GLN A 111 2.505 -8.179 6.955 1.00 0.00 C ATOM 1709 OE1 GLN A 111 2.435 -9.382 7.146 1.00 0.00 O ATOM 1710 NE2 GLN A 111 3.209 -7.345 7.715 1.00 0.00 N ATOM 0 H GLN A 111 -1.002 -8.381 4.707 1.00 0.00 H new ATOM 0 HA GLN A 111 1.065 -6.852 3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 111 1.043 -9.377 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 111 2.486 -8.792 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 111 2.357 -6.652 5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 111 0.819 -7.103 6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 111 3.225 -6.348 7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.733 -7.702 8.514 1.00 0.00 H new ATOM 1719 N ARG A 112 0.068 -9.809 2.294 1.00 0.00 N ATOM 1720 CA ARG A 112 0.041 -10.687 1.136 1.00 0.00 C ATOM 1721 C ARG A 112 -0.099 -9.867 -0.148 1.00 0.00 C ATOM 1722 O ARG A 112 0.415 -10.255 -1.196 1.00 0.00 O ATOM 1723 CB ARG A 112 -1.117 -11.683 1.227 1.00 0.00 C ATOM 1724 CG ARG A 112 -0.653 -13.096 0.868 1.00 0.00 C ATOM 1725 CD ARG A 112 -1.422 -13.635 -0.340 1.00 0.00 C ATOM 1726 NE ARG A 112 -0.866 -14.943 -0.752 1.00 0.00 N ATOM 1727 CZ ARG A 112 -1.102 -16.096 -0.110 1.00 0.00 C ATOM 1728 NH1 ARG A 112 -1.886 -16.109 0.977 1.00 0.00 N ATOM 1729 NH2 ARG A 112 -0.555 -17.235 -0.555 1.00 0.00 N ATOM 0 H ARG A 112 -0.453 -10.151 3.101 1.00 0.00 H new ATOM 0 HA ARG A 112 0.980 -11.240 1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.529 -11.677 2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.918 -11.377 0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.415 -13.088 0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.799 -13.758 1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.478 -13.742 -0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.359 -12.927 -1.167 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.266 -14.969 -1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.303 -15.242 1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.066 -16.986 1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.041 -17.225 -1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.735 -18.112 -0.066 1.00 0.00 H new ATOM 1743 N THR A 113 -0.798 -8.748 -0.025 1.00 0.00 N ATOM 1744 CA THR A 113 -1.013 -7.871 -1.163 1.00 0.00 C ATOM 1745 C THR A 113 0.304 -7.222 -1.592 1.00 0.00 C ATOM 1746 O THR A 113 0.774 -7.441 -2.707 1.00 0.00 O ATOM 1747 CB THR A 113 -2.094 -6.858 -0.781 1.00 0.00 C ATOM 1748 OG1 THR A 113 -3.183 -7.662 -0.337 1.00 0.00 O ATOM 1749 CG2 THR A 113 -2.652 -6.111 -1.994 1.00 0.00 C ATOM 0 H THR A 113 -1.223 -8.429 0.846 1.00 0.00 H new ATOM 0 HA THR A 113 -1.362 -8.428 -2.032 1.00 0.00 H new ATOM 0 HB THR A 113 -1.683 -6.140 -0.071 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.180 -8.514 -0.822 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.415 -5.405 -1.667 1.00 0.00 H new ATOM 0 HG22 THR A 113 -1.846 -5.570 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 113 -3.093 -6.825 -2.690 1.00 0.00 H new ATOM 1757 N LEU A 114 0.863 -6.436 -0.683 1.00 0.00 N ATOM 1758 CA LEU A 114 2.116 -5.753 -0.953 1.00 0.00 C ATOM 1759 C LEU A 114 3.106 -6.740 -1.576 1.00 0.00 C ATOM 1760 O LEU A 114 3.716 -6.448 -2.603 1.00 0.00 O ATOM 1761 CB LEU A 114 2.641 -5.074 0.314 1.00 0.00 C ATOM 1762 CG LEU A 114 1.695 -4.070 0.977 1.00 0.00 C ATOM 1763 CD1 LEU A 114 1.954 -3.986 2.483 1.00 0.00 C ATOM 1764 CD2 LEU A 114 1.788 -2.700 0.302 1.00 0.00 C ATOM 0 H LEU A 114 0.471 -6.257 0.241 1.00 0.00 H new ATOM 0 HA LEU A 114 1.964 -4.952 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.887 -5.847 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.571 -4.560 0.069 1.00 0.00 H new ATOM 0 HG LEU A 114 0.673 -4.425 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.269 -3.266 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.797 -4.966 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.981 -3.667 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.106 -2.006 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.808 -2.324 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.517 -2.793 -0.750 1.00 0.00 H new ATOM 1776 N MET A 115 3.234 -7.888 -0.928 1.00 0.00 N ATOM 1777 CA MET A 115 4.139 -8.920 -1.405 1.00 0.00 C ATOM 1778 C MET A 115 3.900 -9.215 -2.888 1.00 0.00 C ATOM 1779 O MET A 115 4.842 -9.497 -3.627 1.00 0.00 O ATOM 1780 CB MET A 115 3.931 -10.198 -0.590 1.00 0.00 C ATOM 1781 CG MET A 115 4.444 -10.025 0.841 1.00 0.00 C ATOM 1782 SD MET A 115 6.188 -9.646 0.823 1.00 0.00 S ATOM 1783 CE MET A 115 6.861 -11.292 0.667 1.00 0.00 C ATOM 0 H MET A 115 2.726 -8.127 -0.076 1.00 0.00 H new ATOM 0 HA MET A 115 5.162 -8.564 -1.284 1.00 0.00 H new ATOM 0 HB2 MET A 115 2.872 -10.454 -0.572 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.451 -11.028 -1.069 1.00 0.00 H new ATOM 0 HG2 MET A 115 3.895 -9.226 1.339 1.00 0.00 H new ATOM 0 HG3 MET A 115 4.267 -10.937 1.412 1.00 0.00 H new ATOM 0 HE1 MET A 115 7.485 -11.514 1.533 1.00 0.00 H new ATOM 0 HE2 MET A 115 6.047 -12.014 0.612 1.00 0.00 H new ATOM 0 HE3 MET A 115 7.463 -11.354 -0.239 1.00 0.00 H new ATOM 1793 N ALA A 116 2.636 -9.140 -3.277 1.00 0.00 N ATOM 1794 CA ALA A 116 2.262 -9.396 -4.658 1.00 0.00 C ATOM 1795 C ALA A 116 2.531 -8.144 -5.495 1.00 0.00 C ATOM 1796 O ALA A 116 3.152 -8.222 -6.554 1.00 0.00 O ATOM 1797 CB ALA A 116 0.797 -9.834 -4.717 1.00 0.00 C ATOM 0 H ALA A 116 1.858 -8.906 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 116 2.861 -10.206 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.516 -10.026 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.665 -10.743 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 116 0.165 -9.045 -4.310 1.00 0.00 H new ATOM 1803 N LEU A 117 2.050 -7.018 -4.988 1.00 0.00 N ATOM 1804 CA LEU A 117 2.231 -5.751 -5.675 1.00 0.00 C ATOM 1805 C LEU A 117 3.707 -5.578 -6.039 1.00 0.00 C ATOM 1806 O LEU A 117 4.035 -5.258 -7.180 1.00 0.00 O ATOM 1807 CB LEU A 117 1.665 -4.601 -4.838 1.00 0.00 C ATOM 1808 CG LEU A 117 1.423 -3.286 -5.582 1.00 0.00 C ATOM 1809 CD1 LEU A 117 0.301 -3.437 -6.611 1.00 0.00 C ATOM 1810 CD2 LEU A 117 1.151 -2.144 -4.600 1.00 0.00 C ATOM 0 H LEU A 117 1.535 -6.957 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 117 1.669 -5.742 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.721 -4.927 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 117 2.350 -4.408 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 117 2.330 -3.031 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.149 -2.488 -7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 117 0.573 -4.204 -7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.620 -3.727 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.982 -1.220 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.267 -2.378 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.009 -2.020 -3.940 1.00 0.00 H new ATOM 1822 N GLY A 118 4.557 -5.799 -5.047 1.00 0.00 N ATOM 1823 CA GLY A 118 5.991 -5.672 -5.248 1.00 0.00 C ATOM 1824 C GLY A 118 6.470 -6.590 -6.374 1.00 0.00 C ATOM 1825 O GLY A 118 7.013 -6.121 -7.374 1.00 0.00 O ATOM 0 H GLY A 118 4.281 -6.065 -4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 118 6.238 -4.638 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 118 6.515 -5.919 -4.325 1.00 0.00 H new ATOM 1829 N SER A 119 6.251 -7.881 -6.175 1.00 0.00 N ATOM 1830 CA SER A 119 6.654 -8.869 -7.161 1.00 0.00 C ATOM 1831 C SER A 119 6.286 -8.387 -8.566 1.00 0.00 C ATOM 1832 O SER A 119 7.117 -8.413 -9.472 1.00 0.00 O ATOM 1833 CB SER A 119 6.004 -10.226 -6.879 1.00 0.00 C ATOM 1834 OG SER A 119 6.771 -11.305 -7.406 1.00 0.00 O ATOM 0 H SER A 119 5.800 -8.266 -5.345 1.00 0.00 H new ATOM 0 HA SER A 119 7.735 -8.994 -7.098 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.888 -10.356 -5.803 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.004 -10.246 -7.313 1.00 0.00 H new ATOM 0 HG SER A 119 6.324 -12.153 -7.204 1.00 0.00 H new ATOM 1840 N LEU A 120 5.040 -7.957 -8.702 1.00 0.00 N ATOM 1841 CA LEU A 120 4.552 -7.470 -9.981 1.00 0.00 C ATOM 1842 C LEU A 120 5.548 -6.455 -10.548 1.00 0.00 C ATOM 1843 O LEU A 120 5.811 -6.444 -11.750 1.00 0.00 O ATOM 1844 CB LEU A 120 3.131 -6.923 -9.839 1.00 0.00 C ATOM 1845 CG LEU A 120 2.014 -7.803 -10.403 1.00 0.00 C ATOM 1846 CD1 LEU A 120 0.662 -7.438 -9.785 1.00 0.00 C ATOM 1847 CD2 LEU A 120 1.982 -7.738 -11.931 1.00 0.00 C ATOM 0 H LEU A 120 4.354 -7.936 -7.948 1.00 0.00 H new ATOM 0 HA LEU A 120 4.484 -8.287 -10.699 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.933 -6.752 -8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.086 -5.952 -10.332 1.00 0.00 H new ATOM 0 HG LEU A 120 2.224 -8.837 -10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.114 -8.079 -10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.706 -7.579 -8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.430 -6.396 -10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.179 -8.373 -12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.809 -6.709 -12.248 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.935 -8.086 -12.330 1.00 0.00 H new ATOM 1859 N ALA A 121 6.073 -5.628 -9.657 1.00 0.00 N ATOM 1860 CA ALA A 121 7.034 -4.612 -10.054 1.00 0.00 C ATOM 1861 C ALA A 121 8.387 -5.273 -10.321 1.00 0.00 C ATOM 1862 O ALA A 121 9.135 -4.834 -11.194 1.00 0.00 O ATOM 1863 CB ALA A 121 7.115 -3.535 -8.970 1.00 0.00 C ATOM 0 H ALA A 121 5.852 -5.640 -8.661 1.00 0.00 H new ATOM 0 HA ALA A 121 6.718 -4.124 -10.976 1.00 0.00 H new ATOM 0 HB1 ALA A 121 7.835 -2.773 -9.267 1.00 0.00 H new ATOM 0 HB2 ALA A 121 6.135 -3.076 -8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.432 -3.988 -8.031 1.00 0.00 H new ATOM 1869 N VAL A 122 8.662 -6.318 -9.554 1.00 0.00 N ATOM 1870 CA VAL A 122 9.912 -7.044 -9.697 1.00 0.00 C ATOM 1871 C VAL A 122 9.999 -7.628 -11.108 1.00 0.00 C ATOM 1872 O VAL A 122 11.074 -7.660 -11.705 1.00 0.00 O ATOM 1873 CB VAL A 122 10.029 -8.106 -8.602 1.00 0.00 C ATOM 1874 CG1 VAL A 122 11.219 -9.032 -8.861 1.00 0.00 C ATOM 1875 CG2 VAL A 122 10.127 -7.460 -7.219 1.00 0.00 C ATOM 0 H VAL A 122 8.040 -6.679 -8.831 1.00 0.00 H new ATOM 0 HA VAL A 122 10.761 -6.372 -9.571 1.00 0.00 H new ATOM 0 HB VAL A 122 9.123 -8.711 -8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.279 -9.777 -8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 122 11.088 -9.533 -9.820 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.138 -8.447 -8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.209 -8.237 -6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.007 -6.819 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.234 -6.863 -7.032 1.00 0.00 H new ATOM 1885 N THR A 123 8.854 -8.075 -11.601 1.00 0.00 N ATOM 1886 CA THR A 123 8.787 -8.656 -12.931 1.00 0.00 C ATOM 1887 C THR A 123 9.224 -7.633 -13.982 1.00 0.00 C ATOM 1888 O THR A 123 10.012 -7.951 -14.872 1.00 0.00 O ATOM 1889 CB THR A 123 7.366 -9.180 -13.148 1.00 0.00 C ATOM 1890 OG1 THR A 123 7.304 -10.357 -12.346 1.00 0.00 O ATOM 1891 CG2 THR A 123 7.140 -9.688 -14.573 1.00 0.00 C ATOM 0 H THR A 123 7.964 -8.047 -11.103 1.00 0.00 H new ATOM 0 HA THR A 123 9.477 -9.494 -13.031 1.00 0.00 H new ATOM 0 HB THR A 123 6.650 -8.388 -12.927 1.00 0.00 H new ATOM 0 HG1 THR A 123 6.415 -10.761 -12.426 1.00 0.00 H new ATOM 0 HG21 THR A 123 6.116 -10.048 -14.673 1.00 0.00 H new ATOM 0 HG22 THR A 123 7.309 -8.876 -15.280 1.00 0.00 H new ATOM 0 HG23 THR A 123 7.833 -10.502 -14.783 1.00 0.00 H new ATOM 2020 N ASP A 132 15.395 -2.739 -4.721 1.00 0.00 N ATOM 2021 CA ASP A 132 15.972 -3.942 -5.296 1.00 0.00 C ATOM 2022 C ASP A 132 14.892 -5.020 -5.400 1.00 0.00 C ATOM 2023 O ASP A 132 14.007 -5.102 -4.550 1.00 0.00 O ATOM 2024 CB ASP A 132 17.100 -4.486 -4.418 1.00 0.00 C ATOM 2025 CG ASP A 132 18.446 -4.653 -5.126 1.00 0.00 C ATOM 2026 OD1 ASP A 132 18.716 -3.837 -6.033 1.00 0.00 O ATOM 2027 OD2 ASP A 132 19.175 -5.594 -4.743 1.00 0.00 O ATOM 0 HA ASP A 132 16.370 -3.689 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.234 -3.817 -3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 132 16.795 -5.453 -4.017 1.00 0.00 H new ATOM 2032 N PRO A 133 15.002 -5.842 -6.478 1.00 0.00 N ATOM 2033 CA PRO A 133 14.046 -6.912 -6.705 1.00 0.00 C ATOM 2034 C PRO A 133 14.292 -8.079 -5.746 1.00 0.00 C ATOM 2035 O PRO A 133 13.346 -8.674 -5.231 1.00 0.00 O ATOM 2036 CB PRO A 133 14.222 -7.296 -8.165 1.00 0.00 C ATOM 2037 CG PRO A 133 15.582 -6.753 -8.577 1.00 0.00 C ATOM 2038 CD PRO A 133 16.037 -5.775 -7.506 1.00 0.00 C ATOM 0 HA PRO A 133 13.018 -6.606 -6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 133 14.178 -8.378 -8.293 1.00 0.00 H new ATOM 0 HB3 PRO A 133 13.429 -6.870 -8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 133 16.301 -7.565 -8.683 1.00 0.00 H new ATOM 0 HG3 PRO A 133 15.517 -6.256 -9.545 1.00 0.00 H new ATOM 0 HD2 PRO A 133 17.012 -6.052 -7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 133 16.133 -4.766 -7.906 1.00 0.00 H new ATOM 2046 N ASN A 134 15.567 -8.373 -5.537 1.00 0.00 N ATOM 2047 CA ASN A 134 15.949 -9.458 -4.649 1.00 0.00 C ATOM 2048 C ASN A 134 15.102 -9.393 -3.377 1.00 0.00 C ATOM 2049 O ASN A 134 14.864 -10.414 -2.732 1.00 0.00 O ATOM 2050 CB ASN A 134 17.420 -9.346 -4.244 1.00 0.00 C ATOM 2051 CG ASN A 134 18.276 -10.363 -5.001 1.00 0.00 C ATOM 2052 OD1 ASN A 134 18.545 -11.458 -4.534 1.00 0.00 O ATOM 2053 ND2 ASN A 134 18.689 -9.942 -6.193 1.00 0.00 N ATOM 0 H ASN A 134 16.349 -7.879 -5.967 1.00 0.00 H new ATOM 0 HA ASN A 134 15.791 -10.398 -5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 134 17.781 -8.338 -4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 134 17.519 -9.509 -3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 134 19.267 -10.548 -6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 134 18.428 -9.013 -6.524 1.00 0.00 H new ATOM 2060 N TRP A 135 14.669 -8.183 -3.054 1.00 0.00 N ATOM 2061 CA TRP A 135 13.853 -7.972 -1.870 1.00 0.00 C ATOM 2062 C TRP A 135 12.736 -9.018 -1.873 1.00 0.00 C ATOM 2063 O TRP A 135 12.707 -9.902 -1.018 1.00 0.00 O ATOM 2064 CB TRP A 135 13.327 -6.536 -1.816 1.00 0.00 C ATOM 2065 CG TRP A 135 14.345 -5.520 -1.294 1.00 0.00 C ATOM 2066 CD1 TRP A 135 15.523 -5.762 -0.702 1.00 0.00 C ATOM 2067 CD2 TRP A 135 14.226 -4.083 -1.340 1.00 0.00 C ATOM 2068 NE1 TRP A 135 16.170 -4.590 -0.366 1.00 0.00 N ATOM 2069 CE2 TRP A 135 15.356 -3.536 -0.766 1.00 0.00 C ATOM 2070 CE3 TRP A 135 13.198 -3.271 -1.851 1.00 0.00 C ATOM 2071 CZ2 TRP A 135 15.565 -2.157 -0.648 1.00 0.00 C ATOM 2072 CZ3 TRP A 135 13.423 -1.895 -1.725 1.00 0.00 C ATOM 2073 CH2 TRP A 135 14.554 -1.329 -1.150 1.00 0.00 C ATOM 0 H TRP A 135 14.868 -7.339 -3.591 1.00 0.00 H new ATOM 0 HA TRP A 135 14.447 -8.099 -0.965 1.00 0.00 H new ATOM 0 HB2 TRP A 135 13.011 -6.238 -2.816 1.00 0.00 H new ATOM 0 HB3 TRP A 135 12.442 -6.508 -1.180 1.00 0.00 H new ATOM 0 HD1 TRP A 135 15.916 -6.750 -0.512 1.00 0.00 H new ATOM 0 HE1 TRP A 135 17.078 -4.511 0.092 1.00 0.00 H new ATOM 0 HE3 TRP A 135 12.306 -3.677 -2.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 135 16.458 -1.754 -0.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 135 12.663 -1.226 -2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 135 14.653 -0.255 -1.091 1.00 0.00 H new