USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 812 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 49 TYR OH : rot 78:sc= 1.28 USER MOD Set 1.2: A 106 HIS : no HD1:sc= 1.04 K(o=2.3,f=-1.7) USER MOD Set 2.1: A 54 ASN : amide:sc= -1.89 K(o=-3.4,f=-14!) USER MOD Set 2.2: A 56 THR OG1 : rot 170:sc= -1.55 USER MOD Set 3.1: A 22 GLN : amide:sc= 0.143 K(o=0.06,f=-5.7!) USER MOD Set 3.2: A 88 CYS SG : rot 170:sc= -0.0825 USER MOD Set 4.1: A 11 GLN : amide:sc= 1.11 K(o=2,f=-0.51) USER MOD Set 4.2: A 19 TYR OH : rot -92:sc= 0.937 USER MOD Set 5.1: A 1 MET CE :methyl -167:sc=-0.00339 (180deg=-0.196) USER MOD Set 5.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00117 (180deg=-0.18) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.048) USER MOD Single : A 6 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 1.9 (180deg=1.64) USER MOD Single : A 9 ASN : amide:sc= -1.6 K(o=-1.6,f=-7!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 83:sc= 0.693 USER MOD Single : A 20 MET CE :methyl -161:sc= 0 (180deg=-0.673) USER MOD Single : A 21 SER OG : rot -13:sc= 0.539 USER MOD Single : A 24 TYR OH : rot -168:sc= 1.27 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.715 K(o=0.71,f=-1.5) USER MOD Single : A 34 THR OG1 : rot 94:sc= 1.14 USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00332 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0393 USER MOD Single : A 43 TYR OH : rot 95:sc= 1 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 80:sc= -1.91 USER MOD Single : A 55 SER OG : rot -62:sc= 0.776 USER MOD Single : A 58 SER OG : rot 155:sc= 0.71 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 62 CYS SG : rot -90:sc= -1.67 USER MOD Single : A 66 THR OG1 : rot -160:sc= 0.65 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -179:sc= 0.78 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0464 X(o=-0.046,f=-0.028) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= 0.953 (180deg=0.907) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0.358 K(o=0.36,f=-3.6!) USER MOD Single : A 98 MET CE :methyl 171:sc= -0.892 (180deg=-1.18) USER MOD Single : A 107 HIS : no HD1:sc= -0.287 K(o=-0.29,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.082 -2.115 -0.274 1.00 0.00 N ATOM 2 CA MET A 1 0.325 -3.586 -0.178 1.00 0.00 C ATOM 3 C MET A 1 -0.884 -4.394 -0.687 1.00 0.00 C ATOM 4 O MET A 1 -0.727 -5.499 -1.208 1.00 0.00 O ATOM 5 CB MET A 1 0.644 -3.979 1.263 1.00 0.00 C ATOM 6 CG MET A 1 1.937 -3.388 1.806 1.00 0.00 C ATOM 7 SD MET A 1 3.383 -3.871 0.842 1.00 0.00 S ATOM 8 CE MET A 1 3.498 -5.609 1.255 1.00 0.00 C ATOM 0 H1 MET A 1 0.968 -1.604 -0.086 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.257 -1.881 -1.229 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.634 -1.835 0.426 1.00 0.00 H new ATOM 0 HA MET A 1 1.179 -3.821 -0.813 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.181 -3.666 1.903 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.701 -5.066 1.326 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.859 -2.301 1.816 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.071 -3.707 2.840 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.463 -5.997 0.929 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.402 -5.734 2.334 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.699 -6.156 0.754 1.00 0.00 H new ATOM 20 N SER A 2 -2.083 -3.833 -0.541 1.00 0.00 N ATOM 21 CA SER A 2 -3.336 -4.520 -0.912 1.00 0.00 C ATOM 22 C SER A 2 -3.442 -4.800 -2.421 1.00 0.00 C ATOM 23 O SER A 2 -4.154 -5.717 -2.841 1.00 0.00 O ATOM 24 CB SER A 2 -4.525 -3.697 -0.454 1.00 0.00 C ATOM 25 OG SER A 2 -4.616 -2.478 -1.140 1.00 0.00 O ATOM 0 H SER A 2 -2.222 -2.895 -0.165 1.00 0.00 H new ATOM 0 HA SER A 2 -3.331 -5.488 -0.411 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.441 -4.268 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.443 -3.506 0.616 1.00 0.00 H new ATOM 0 HG SER A 2 -5.395 -1.979 -0.818 1.00 0.00 H new ATOM 31 N TRP A 3 -2.751 -4.005 -3.240 1.00 0.00 N ATOM 32 CA TRP A 3 -2.666 -4.275 -4.683 1.00 0.00 C ATOM 33 C TRP A 3 -2.135 -5.688 -4.985 1.00 0.00 C ATOM 34 O TRP A 3 -2.504 -6.288 -5.998 1.00 0.00 O ATOM 35 CB TRP A 3 -1.773 -3.232 -5.357 1.00 0.00 C ATOM 36 CG TRP A 3 -0.329 -3.340 -4.973 1.00 0.00 C ATOM 37 CD1 TRP A 3 0.285 -2.723 -3.925 1.00 0.00 C ATOM 38 CD2 TRP A 3 0.682 -4.115 -5.631 1.00 0.00 C ATOM 39 NE1 TRP A 3 1.615 -3.061 -3.888 1.00 0.00 N ATOM 40 CE2 TRP A 3 1.883 -3.918 -4.926 1.00 0.00 C ATOM 41 CE3 TRP A 3 0.686 -4.958 -6.749 1.00 0.00 C ATOM 42 CZ2 TRP A 3 3.072 -4.525 -5.299 1.00 0.00 C ATOM 43 CZ3 TRP A 3 1.877 -5.568 -7.122 1.00 0.00 C ATOM 44 CH2 TRP A 3 3.036 -5.358 -6.416 1.00 0.00 C ATOM 0 H TRP A 3 -2.244 -3.174 -2.935 1.00 0.00 H new ATOM 0 HA TRP A 3 -3.678 -4.214 -5.083 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.861 -3.335 -6.439 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.135 -2.236 -5.101 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -0.204 -2.063 -3.224 1.00 0.00 H new ATOM 0 HE1 TRP A 3 2.293 -2.730 -3.202 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.220 -5.131 -7.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 3.986 -4.360 -4.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.892 -6.220 -7.983 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.943 -5.851 -6.734 1.00 0.00 H new ATOM 55 N MET A 4 -1.290 -6.225 -4.107 1.00 0.00 N ATOM 56 CA MET A 4 -0.742 -7.572 -4.309 1.00 0.00 C ATOM 57 C MET A 4 -1.880 -8.608 -4.301 1.00 0.00 C ATOM 58 O MET A 4 -2.004 -9.429 -5.217 1.00 0.00 O ATOM 59 CB MET A 4 0.290 -7.899 -3.232 1.00 0.00 C ATOM 60 CG MET A 4 1.578 -7.093 -3.329 1.00 0.00 C ATOM 61 SD MET A 4 2.755 -7.502 -2.025 1.00 0.00 S ATOM 62 CE MET A 4 4.062 -6.328 -2.368 1.00 0.00 C ATOM 0 H MET A 4 -0.971 -5.758 -3.258 1.00 0.00 H new ATOM 0 HA MET A 4 -0.243 -7.606 -5.277 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.158 -7.728 -2.253 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.534 -8.960 -3.290 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.041 -7.271 -4.300 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.341 -6.030 -3.279 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.866 -6.457 -1.643 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.449 -6.497 -3.373 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.668 -5.314 -2.297 1.00 0.00 H new ATOM 72 N GLN A 5 -2.700 -8.569 -3.245 1.00 0.00 N ATOM 73 CA GLN A 5 -3.934 -9.364 -3.183 1.00 0.00 C ATOM 74 C GLN A 5 -4.798 -9.147 -4.432 1.00 0.00 C ATOM 75 O GLN A 5 -5.216 -10.102 -5.076 1.00 0.00 O ATOM 76 CB GLN A 5 -4.738 -9.007 -1.930 1.00 0.00 C ATOM 77 CG GLN A 5 -4.145 -9.542 -0.637 1.00 0.00 C ATOM 78 CD GLN A 5 -4.879 -9.035 0.590 1.00 0.00 C ATOM 79 OE1 GLN A 5 -4.683 -7.895 1.020 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.727 -9.881 1.163 1.00 0.00 N ATOM 0 H GLN A 5 -2.532 -7.994 -2.419 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.649 -10.415 -3.139 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.817 -7.922 -1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.751 -9.394 -2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.175 -10.632 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.096 -9.253 -0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.858 -10.814 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.248 -9.597 1.993 1.00 0.00 H new ATOM 89 N ASN A 6 -5.037 -7.875 -4.766 1.00 0.00 N ATOM 90 CA ASN A 6 -5.928 -7.492 -5.876 1.00 0.00 C ATOM 91 C ASN A 6 -5.549 -8.183 -7.197 1.00 0.00 C ATOM 92 O ASN A 6 -6.410 -8.453 -8.035 1.00 0.00 O ATOM 93 CB ASN A 6 -5.946 -5.986 -6.068 1.00 0.00 C ATOM 94 CG ASN A 6 -6.708 -5.249 -5.001 1.00 0.00 C ATOM 95 OD1 ASN A 6 -7.514 -5.835 -4.270 1.00 0.00 O ATOM 96 ND2 ASN A 6 -6.519 -3.955 -4.965 1.00 0.00 N ATOM 0 H ASN A 6 -4.622 -7.081 -4.279 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.927 -7.829 -5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -4.920 -5.619 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.385 -5.758 -7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.050 -3.380 -4.311 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.841 -3.521 -5.591 1.00 0.00 H new ATOM 103 N LEU A 7 -4.263 -8.461 -7.381 1.00 0.00 N ATOM 104 CA LEU A 7 -3.794 -9.175 -8.574 1.00 0.00 C ATOM 105 C LEU A 7 -3.948 -10.696 -8.407 1.00 0.00 C ATOM 106 O LEU A 7 -4.727 -11.337 -9.111 1.00 0.00 O ATOM 107 CB LEU A 7 -2.333 -8.812 -8.866 1.00 0.00 C ATOM 108 CG LEU A 7 -2.090 -7.350 -9.260 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.596 -7.089 -9.404 1.00 0.00 C ATOM 110 CD2 LEU A 7 -2.818 -7.045 -10.561 1.00 0.00 C ATOM 0 H LEU A 7 -3.525 -8.206 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.410 -8.868 -9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.736 -9.038 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.969 -9.453 -9.669 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.477 -6.695 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.434 -6.048 -9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.098 -7.291 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.186 -7.740 -10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.645 -6.006 -10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.445 -7.699 -11.349 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.887 -7.211 -10.427 1.00 0.00 H new ATOM 122 N LYS A 8 -3.210 -11.256 -7.445 1.00 0.00 N ATOM 123 CA LYS A 8 -3.080 -12.710 -7.272 1.00 0.00 C ATOM 124 C LYS A 8 -4.384 -13.394 -6.764 1.00 0.00 C ATOM 125 O LYS A 8 -4.469 -14.622 -6.743 1.00 0.00 O ATOM 126 CB LYS A 8 -1.928 -13.010 -6.311 1.00 0.00 C ATOM 127 CG LYS A 8 -2.188 -12.596 -4.869 1.00 0.00 C ATOM 128 CD LYS A 8 -0.949 -12.784 -4.007 1.00 0.00 C ATOM 129 CE LYS A 8 -0.943 -11.826 -2.826 1.00 0.00 C ATOM 130 NZ LYS A 8 0.349 -11.859 -2.089 1.00 0.00 N ATOM 0 H LYS A 8 -2.683 -10.714 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.877 -13.127 -8.258 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.718 -14.079 -6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.032 -12.501 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.499 -11.552 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.010 -13.185 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.909 -13.811 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.056 -12.624 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.133 -10.813 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.755 -12.083 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.391 -11.059 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.424 -12.751 -1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.136 -11.790 -2.765 1.00 0.00 H new ATOM 144 N ASN A 9 -5.391 -12.614 -6.347 1.00 0.00 N ATOM 145 CA ASN A 9 -6.684 -13.182 -5.919 1.00 0.00 C ATOM 146 C ASN A 9 -7.331 -14.015 -7.034 1.00 0.00 C ATOM 147 O ASN A 9 -8.095 -14.942 -6.765 1.00 0.00 O ATOM 148 CB ASN A 9 -7.641 -12.099 -5.458 1.00 0.00 C ATOM 149 CG ASN A 9 -7.380 -11.618 -4.057 1.00 0.00 C ATOM 150 OD1 ASN A 9 -6.635 -12.242 -3.293 1.00 0.00 O ATOM 151 ND2 ASN A 9 -8.055 -10.559 -3.689 1.00 0.00 N ATOM 0 H ASN A 9 -5.340 -11.597 -6.296 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.475 -13.840 -5.076 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.574 -11.253 -6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.661 -12.478 -5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.979 -10.213 -2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.657 -10.080 -4.359 1.00 0.00 H new ATOM 158 N TYR A 10 -7.030 -13.669 -8.283 1.00 0.00 N ATOM 159 CA TYR A 10 -7.624 -14.344 -9.441 1.00 0.00 C ATOM 160 C TYR A 10 -6.660 -14.387 -10.633 1.00 0.00 C ATOM 161 O TYR A 10 -5.716 -13.599 -10.719 1.00 0.00 O ATOM 162 CB TYR A 10 -8.925 -13.651 -9.850 1.00 0.00 C ATOM 163 CG TYR A 10 -8.757 -12.190 -10.205 1.00 0.00 C ATOM 164 CD1 TYR A 10 -8.441 -11.803 -11.499 1.00 0.00 C ATOM 165 CD2 TYR A 10 -8.917 -11.202 -9.245 1.00 0.00 C ATOM 166 CE1 TYR A 10 -8.285 -10.471 -11.828 1.00 0.00 C ATOM 167 CE2 TYR A 10 -8.766 -9.867 -9.563 1.00 0.00 C ATOM 168 CZ TYR A 10 -8.449 -9.504 -10.857 1.00 0.00 C ATOM 169 OH TYR A 10 -8.297 -8.176 -11.179 1.00 0.00 O ATOM 0 H TYR A 10 -6.377 -12.923 -8.523 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.837 -15.371 -9.145 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.351 -14.176 -10.705 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.642 -13.736 -9.034 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.315 -12.556 -12.262 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.164 -11.482 -8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.036 -10.187 -12.840 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.895 -9.110 -8.803 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.447 -7.627 -10.381 1.00 0.00 H new ATOM 179 N GLN A 11 -6.913 -15.310 -11.556 1.00 0.00 N ATOM 180 CA GLN A 11 -6.120 -15.418 -12.780 1.00 0.00 C ATOM 181 C GLN A 11 -6.940 -14.972 -14.002 1.00 0.00 C ATOM 182 O GLN A 11 -7.635 -15.778 -14.626 1.00 0.00 O ATOM 183 CB GLN A 11 -5.630 -16.855 -12.975 1.00 0.00 C ATOM 184 CG GLN A 11 -4.805 -17.067 -14.232 1.00 0.00 C ATOM 185 CD GLN A 11 -3.613 -16.131 -14.306 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.780 -16.092 -13.398 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.528 -15.368 -15.390 1.00 0.00 N ATOM 0 H GLN A 11 -7.663 -15.997 -11.481 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.256 -14.761 -12.683 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.034 -17.144 -12.110 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.493 -17.520 -13.004 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.456 -18.099 -14.264 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.437 -16.917 -15.108 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.241 -15.433 -16.117 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.750 -14.717 -15.495 1.00 0.00 H new ATOM 196 N HIS A 12 -6.880 -13.683 -14.334 1.00 0.00 N ATOM 197 CA HIS A 12 -7.567 -13.169 -15.528 1.00 0.00 C ATOM 198 C HIS A 12 -6.592 -12.695 -16.621 1.00 0.00 C ATOM 199 O HIS A 12 -6.846 -12.898 -17.806 1.00 0.00 O ATOM 200 CB HIS A 12 -8.508 -12.022 -15.145 1.00 0.00 C ATOM 201 CG HIS A 12 -9.286 -11.471 -16.300 1.00 0.00 C ATOM 202 ND1 HIS A 12 -10.233 -12.209 -16.979 1.00 0.00 N ATOM 203 CD2 HIS A 12 -9.256 -10.256 -16.896 1.00 0.00 C ATOM 204 CE1 HIS A 12 -10.752 -11.470 -17.944 1.00 0.00 C ATOM 205 NE2 HIS A 12 -10.177 -10.282 -17.915 1.00 0.00 N ATOM 0 H HIS A 12 -6.369 -12.978 -13.802 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.139 -14.000 -15.942 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.204 -12.374 -14.384 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.924 -11.219 -14.696 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.626 -9.423 -16.622 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.517 -11.785 -18.639 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.383 -9.508 -18.547 1.00 0.00 H new ATOM 210 N LEU A 13 -5.479 -12.074 -16.238 1.00 0.00 N ATOM 211 CA LEU A 13 -4.524 -11.569 -17.230 1.00 0.00 C ATOM 212 C LEU A 13 -3.165 -12.287 -17.116 1.00 0.00 C ATOM 213 O LEU A 13 -2.846 -12.858 -16.074 1.00 0.00 O ATOM 214 CB LEU A 13 -4.344 -10.054 -17.061 1.00 0.00 C ATOM 215 CG LEU A 13 -5.625 -9.224 -17.208 1.00 0.00 C ATOM 216 CD1 LEU A 13 -5.337 -7.760 -16.905 1.00 0.00 C ATOM 217 CD2 LEU A 13 -6.178 -9.385 -18.616 1.00 0.00 C ATOM 0 H LEU A 13 -5.216 -11.909 -15.266 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.925 -11.773 -18.223 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.917 -9.863 -16.077 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.618 -9.706 -17.796 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.371 -9.579 -16.497 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.253 -7.179 -17.012 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.965 -7.666 -15.885 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.586 -7.385 -17.601 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.088 -8.795 -18.719 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.438 -9.041 -19.339 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.404 -10.435 -18.800 1.00 0.00 H new ATOM 229 N ARG A 14 -2.380 -12.281 -18.194 1.00 0.00 N ATOM 230 CA ARG A 14 -1.037 -12.880 -18.181 1.00 0.00 C ATOM 231 C ARG A 14 0.018 -11.969 -17.528 1.00 0.00 C ATOM 232 O ARG A 14 1.211 -12.271 -17.594 1.00 0.00 O ATOM 233 CB ARG A 14 -0.601 -13.309 -19.575 1.00 0.00 C ATOM 234 CG ARG A 14 -1.407 -14.450 -20.173 1.00 0.00 C ATOM 235 CD ARG A 14 -1.000 -14.830 -21.551 1.00 0.00 C ATOM 236 NE ARG A 14 -1.839 -15.845 -22.168 1.00 0.00 N ATOM 237 CZ ARG A 14 -1.674 -16.315 -23.420 1.00 0.00 C ATOM 238 NH1 ARG A 14 -0.732 -15.840 -24.203 1.00 0.00 N ATOM 239 NH2 ARG A 14 -2.503 -17.251 -23.850 1.00 0.00 N ATOM 0 H ARG A 14 -2.647 -11.869 -19.088 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.110 -13.772 -17.559 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.666 -12.449 -20.241 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.448 -13.604 -19.537 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.315 -15.322 -19.526 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.460 -14.170 -20.182 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.009 -13.938 -22.178 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.028 -15.192 -21.526 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.606 -16.228 -21.615 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.112 -15.104 -23.866 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.621 -16.207 -25.148 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.242 -17.598 -23.239 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.403 -17.626 -24.793 1.00 0.00 H new ATOM 253 N ASP A 15 -0.402 -10.881 -16.883 1.00 0.00 N ATOM 254 CA ASP A 15 0.559 -9.939 -16.281 1.00 0.00 C ATOM 255 C ASP A 15 1.449 -10.602 -15.215 1.00 0.00 C ATOM 256 O ASP A 15 0.958 -11.069 -14.193 1.00 0.00 O ATOM 257 CB ASP A 15 -0.184 -8.749 -15.669 1.00 0.00 C ATOM 258 CG ASP A 15 0.722 -7.624 -15.185 1.00 0.00 C ATOM 259 OD1 ASP A 15 1.911 -7.829 -15.125 1.00 0.00 O ATOM 260 OD2 ASP A 15 0.241 -6.528 -15.028 1.00 0.00 O ATOM 0 H ASP A 15 -1.382 -10.627 -16.761 1.00 0.00 H new ATOM 0 HA ASP A 15 1.214 -9.597 -17.082 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.876 -8.349 -16.409 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.784 -9.103 -14.830 1.00 0.00 H new ATOM 265 N PRO A 16 2.789 -10.599 -15.415 1.00 0.00 N ATOM 266 CA PRO A 16 3.741 -11.169 -14.441 1.00 0.00 C ATOM 267 C PRO A 16 3.578 -10.568 -13.035 1.00 0.00 C ATOM 268 O PRO A 16 3.971 -11.176 -12.038 1.00 0.00 O ATOM 269 CB PRO A 16 5.115 -10.847 -15.040 1.00 0.00 C ATOM 270 CG PRO A 16 4.866 -10.755 -16.507 1.00 0.00 C ATOM 271 CD PRO A 16 3.503 -10.130 -16.643 1.00 0.00 C ATOM 0 HA PRO A 16 3.584 -12.237 -14.294 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.512 -9.912 -14.645 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.842 -11.625 -14.808 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.627 -10.148 -16.997 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.895 -11.740 -16.973 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.561 -9.042 -16.685 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.999 -10.457 -17.552 1.00 0.00 H new ATOM 279 N SER A 17 2.996 -9.368 -12.966 1.00 0.00 N ATOM 280 CA SER A 17 2.789 -8.665 -11.692 1.00 0.00 C ATOM 281 C SER A 17 1.965 -9.502 -10.701 1.00 0.00 C ATOM 282 O SER A 17 2.148 -9.396 -9.490 1.00 0.00 O ATOM 283 CB SER A 17 2.110 -7.331 -11.943 1.00 0.00 C ATOM 284 OG SER A 17 2.867 -6.507 -12.786 1.00 0.00 O ATOM 0 H SER A 17 2.657 -8.858 -13.782 1.00 0.00 H new ATOM 0 HA SER A 17 3.768 -8.498 -11.242 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.129 -7.501 -12.388 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.945 -6.824 -10.992 1.00 0.00 H new ATOM 0 HG SER A 17 2.703 -6.755 -13.720 1.00 0.00 H new ATOM 290 N GLU A 18 1.061 -10.338 -11.217 1.00 0.00 N ATOM 291 CA GLU A 18 0.262 -11.232 -10.372 1.00 0.00 C ATOM 292 C GLU A 18 1.179 -12.224 -9.617 1.00 0.00 C ATOM 293 O GLU A 18 0.886 -12.639 -8.487 1.00 0.00 O ATOM 294 CB GLU A 18 -0.767 -11.989 -11.215 1.00 0.00 C ATOM 295 CG GLU A 18 -1.862 -11.113 -11.805 1.00 0.00 C ATOM 296 CD GLU A 18 -2.714 -11.883 -12.775 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.427 -13.033 -13.007 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.717 -11.359 -13.201 1.00 0.00 O ATOM 0 H GLU A 18 0.863 -10.415 -12.215 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.272 -10.628 -9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.249 -12.499 -12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.228 -12.760 -10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.486 -10.718 -11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.414 -10.258 -12.311 1.00 0.00 H new ATOM 305 N TYR A 19 2.315 -12.559 -10.227 1.00 0.00 N ATOM 306 CA TYR A 19 3.221 -13.580 -9.682 1.00 0.00 C ATOM 307 C TYR A 19 4.391 -12.935 -8.927 1.00 0.00 C ATOM 308 O TYR A 19 4.993 -13.545 -8.046 1.00 0.00 O ATOM 309 CB TYR A 19 3.773 -14.459 -10.805 1.00 0.00 C ATOM 310 CG TYR A 19 2.710 -15.061 -11.705 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.261 -14.380 -12.829 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.175 -16.316 -11.446 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.312 -14.932 -13.666 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.231 -16.877 -12.282 1.00 0.00 C ATOM 315 CZ TYR A 19 0.802 -16.180 -13.391 1.00 0.00 C ATOM 316 OH TYR A 19 -0.136 -16.735 -14.233 1.00 0.00 O ATOM 0 H TYR A 19 2.634 -12.140 -11.100 1.00 0.00 H new ATOM 0 HA TYR A 19 2.646 -14.192 -8.987 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.455 -13.865 -11.414 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.359 -15.266 -10.365 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.661 -13.402 -13.052 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.504 -16.863 -10.575 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.971 -14.386 -14.533 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.831 -17.857 -12.068 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.035 -16.512 -13.913 1.00 0.00 H new ATOM 326 N MET A 20 4.717 -11.697 -9.283 1.00 0.00 N ATOM 327 CA MET A 20 5.659 -10.894 -8.497 1.00 0.00 C ATOM 328 C MET A 20 4.991 -10.420 -7.194 1.00 0.00 C ATOM 329 O MET A 20 5.659 -10.108 -6.210 1.00 0.00 O ATOM 330 CB MET A 20 6.151 -9.701 -9.314 1.00 0.00 C ATOM 331 CG MET A 20 7.069 -10.067 -10.472 1.00 0.00 C ATOM 332 SD MET A 20 7.838 -8.623 -11.233 1.00 0.00 S ATOM 333 CE MET A 20 6.444 -7.921 -12.111 1.00 0.00 C ATOM 0 H MET A 20 4.346 -11.225 -10.108 1.00 0.00 H new ATOM 0 HA MET A 20 6.520 -11.512 -8.241 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.287 -9.164 -9.707 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.678 -9.015 -8.651 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.847 -10.742 -10.115 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.498 -10.609 -11.226 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.805 -7.243 -12.884 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.864 -8.721 -12.572 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.813 -7.371 -11.412 1.00 0.00 H new ATOM 343 N SER A 21 3.659 -10.364 -7.212 1.00 0.00 N ATOM 344 CA SER A 21 2.865 -10.122 -6.001 1.00 0.00 C ATOM 345 C SER A 21 2.641 -11.428 -5.226 1.00 0.00 C ATOM 346 O SER A 21 2.477 -11.412 -4.008 1.00 0.00 O ATOM 347 CB SER A 21 1.537 -9.486 -6.363 1.00 0.00 C ATOM 348 OG SER A 21 0.726 -10.350 -7.111 1.00 0.00 O ATOM 0 H SER A 21 3.101 -10.484 -8.058 1.00 0.00 H new ATOM 0 HA SER A 21 3.418 -9.437 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.014 -9.196 -5.452 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.715 -8.574 -6.932 1.00 0.00 H new ATOM 0 HG SER A 21 1.259 -11.110 -7.424 1.00 0.00 H new ATOM 354 N GLN A 22 2.615 -12.556 -5.948 1.00 0.00 N ATOM 355 CA GLN A 22 2.620 -13.889 -5.318 1.00 0.00 C ATOM 356 C GLN A 22 3.813 -14.044 -4.355 1.00 0.00 C ATOM 357 O GLN A 22 3.647 -14.376 -3.179 1.00 0.00 O ATOM 358 CB GLN A 22 2.671 -14.987 -6.383 1.00 0.00 C ATOM 359 CG GLN A 22 2.777 -16.395 -5.823 1.00 0.00 C ATOM 360 CD GLN A 22 3.010 -17.433 -6.904 1.00 0.00 C ATOM 361 OE1 GLN A 22 3.188 -17.097 -8.079 1.00 0.00 O ATOM 362 NE2 GLN A 22 3.007 -18.703 -6.515 1.00 0.00 N ATOM 0 H GLN A 22 2.590 -12.575 -6.968 1.00 0.00 H new ATOM 0 HA GLN A 22 1.697 -13.988 -4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.775 -14.920 -7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.523 -14.803 -7.037 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.594 -16.436 -5.102 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.862 -16.637 -5.282 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.856 -18.935 -5.533 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.156 -19.446 -7.198 1.00 0.00 H new ATOM 371 N VAL A 23 5.018 -13.808 -4.868 1.00 0.00 N ATOM 372 CA VAL A 23 6.233 -13.901 -4.055 1.00 0.00 C ATOM 373 C VAL A 23 7.307 -12.907 -4.534 1.00 0.00 C ATOM 374 O VAL A 23 7.508 -12.702 -5.731 1.00 0.00 O ATOM 375 CB VAL A 23 6.816 -15.326 -4.081 1.00 0.00 C ATOM 376 CG1 VAL A 23 7.352 -15.658 -5.466 1.00 0.00 C ATOM 377 CG2 VAL A 23 7.913 -15.472 -3.037 1.00 0.00 C ATOM 0 H VAL A 23 5.182 -13.551 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 23 5.948 -13.651 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 23 6.017 -16.029 -3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.760 -16.669 -5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.543 -15.593 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.137 -14.950 -5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.314 -16.485 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.711 -14.759 -3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.501 -15.276 -2.047 1.00 0.00 H new ATOM 387 N TYR A 24 8.000 -12.300 -3.576 1.00 0.00 N ATOM 388 CA TYR A 24 8.968 -11.231 -3.860 1.00 0.00 C ATOM 389 C TYR A 24 10.395 -11.786 -4.048 1.00 0.00 C ATOM 390 O TYR A 24 11.341 -11.026 -4.267 1.00 0.00 O ATOM 391 CB TYR A 24 8.955 -10.192 -2.737 1.00 0.00 C ATOM 392 CG TYR A 24 9.320 -10.752 -1.380 1.00 0.00 C ATOM 393 CD1 TYR A 24 10.646 -10.849 -0.984 1.00 0.00 C ATOM 394 CD2 TYR A 24 8.339 -11.179 -0.498 1.00 0.00 C ATOM 395 CE1 TYR A 24 10.986 -11.360 0.255 1.00 0.00 C ATOM 396 CE2 TYR A 24 8.666 -11.691 0.742 1.00 0.00 C ATOM 397 CZ TYR A 24 9.992 -11.780 1.115 1.00 0.00 C ATOM 398 OH TYR A 24 10.325 -12.288 2.350 1.00 0.00 O ATOM 0 H TYR A 24 7.912 -12.529 -2.586 1.00 0.00 H new ATOM 0 HA TYR A 24 8.669 -10.757 -4.795 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.651 -9.391 -2.988 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.962 -9.745 -2.680 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.426 -10.520 -1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.300 -11.110 -0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 24 12.023 -11.430 0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.889 -12.020 1.416 1.00 0.00 H new ATOM 0 HH TYR A 24 9.538 -12.710 2.753 1.00 0.00 H new ATOM 408 N GLY A 25 10.547 -13.109 -3.974 1.00 0.00 N ATOM 409 CA GLY A 25 11.867 -13.709 -3.788 1.00 0.00 C ATOM 410 C GLY A 25 12.536 -14.205 -5.070 1.00 0.00 C ATOM 411 O GLY A 25 12.488 -13.542 -6.109 1.00 0.00 O ATOM 0 H GLY A 25 9.781 -13.779 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.520 -12.975 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.775 -14.546 -3.096 1.00 0.00 H new ATOM 415 N ASP A 26 13.170 -15.377 -4.982 1.00 0.00 N ATOM 416 CA ASP A 26 13.971 -15.940 -6.076 1.00 0.00 C ATOM 417 C ASP A 26 13.228 -15.943 -7.432 1.00 0.00 C ATOM 418 O ASP A 26 12.082 -16.389 -7.526 1.00 0.00 O ATOM 419 CB ASP A 26 14.407 -17.363 -5.721 1.00 0.00 C ATOM 420 CG ASP A 26 15.514 -17.441 -4.678 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.195 -16.461 -4.490 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.569 -18.418 -3.971 1.00 0.00 O ATOM 0 H ASP A 26 13.143 -15.965 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 26 14.842 -15.295 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.541 -17.915 -5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.744 -17.864 -6.629 1.00 0.00 H new ATOM 427 N PRO A 27 13.895 -15.445 -8.499 1.00 0.00 N ATOM 428 CA PRO A 27 13.297 -15.301 -9.844 1.00 0.00 C ATOM 429 C PRO A 27 12.652 -16.587 -10.387 1.00 0.00 C ATOM 430 O PRO A 27 11.608 -16.533 -11.040 1.00 0.00 O ATOM 431 CB PRO A 27 14.477 -14.859 -10.715 1.00 0.00 C ATOM 432 CG PRO A 27 15.359 -14.098 -9.785 1.00 0.00 C ATOM 433 CD PRO A 27 15.267 -14.820 -8.467 1.00 0.00 C ATOM 0 HA PRO A 27 12.468 -14.593 -9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.997 -15.715 -11.144 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.146 -14.237 -11.547 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.386 -14.074 -10.149 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.030 -13.063 -9.690 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.048 -15.573 -8.367 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.376 -14.135 -7.626 1.00 0.00 H new ATOM 441 N LEU A 28 13.277 -17.733 -10.106 1.00 0.00 N ATOM 442 CA LEU A 28 12.842 -19.031 -10.652 1.00 0.00 C ATOM 443 C LEU A 28 11.395 -19.362 -10.242 1.00 0.00 C ATOM 444 O LEU A 28 10.666 -20.015 -10.990 1.00 0.00 O ATOM 445 CB LEU A 28 13.793 -20.143 -10.190 1.00 0.00 C ATOM 446 CG LEU A 28 15.230 -20.034 -10.717 1.00 0.00 C ATOM 447 CD1 LEU A 28 16.096 -21.125 -10.102 1.00 0.00 C ATOM 448 CD2 LEU A 28 15.224 -20.144 -12.235 1.00 0.00 C ATOM 0 H LEU A 28 14.094 -17.793 -9.498 1.00 0.00 H new ATOM 0 HA LEU A 28 12.871 -18.963 -11.739 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.822 -20.145 -9.100 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.381 -21.103 -10.500 1.00 0.00 H new ATOM 0 HG LEU A 28 15.648 -19.067 -10.436 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.114 -21.039 -10.482 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.103 -21.016 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.692 -22.102 -10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.245 -20.067 -12.609 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.802 -21.105 -12.528 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.621 -19.339 -12.656 1.00 0.00 H new ATOM 460 N ALA A 29 10.988 -18.884 -9.069 1.00 0.00 N ATOM 461 CA ALA A 29 9.655 -19.166 -8.531 1.00 0.00 C ATOM 462 C ALA A 29 8.531 -18.605 -9.428 1.00 0.00 C ATOM 463 O ALA A 29 7.806 -19.365 -10.075 1.00 0.00 O ATOM 464 CB ALA A 29 9.539 -18.612 -7.116 1.00 0.00 C ATOM 0 H ALA A 29 11.565 -18.296 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 29 9.531 -20.249 -8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.545 -18.825 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.290 -19.080 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.699 -17.534 -7.133 1.00 0.00 H new ATOM 470 N TYR A 30 8.409 -17.278 -9.487 1.00 0.00 N ATOM 471 CA TYR A 30 7.352 -16.643 -10.288 1.00 0.00 C ATOM 472 C TYR A 30 7.655 -16.693 -11.796 1.00 0.00 C ATOM 473 O TYR A 30 6.771 -16.464 -12.617 1.00 0.00 O ATOM 474 CB TYR A 30 7.156 -15.191 -9.845 1.00 0.00 C ATOM 475 CG TYR A 30 8.404 -14.343 -9.953 1.00 0.00 C ATOM 476 CD1 TYR A 30 8.782 -13.784 -11.164 1.00 0.00 C ATOM 477 CD2 TYR A 30 9.198 -14.103 -8.842 1.00 0.00 C ATOM 478 CE1 TYR A 30 9.922 -13.010 -11.269 1.00 0.00 C ATOM 479 CE2 TYR A 30 10.339 -13.330 -8.934 1.00 0.00 C ATOM 480 CZ TYR A 30 10.697 -12.784 -10.149 1.00 0.00 C ATOM 481 OH TYR A 30 11.833 -12.012 -10.247 1.00 0.00 O ATOM 0 H TYR A 30 9.020 -16.625 -8.997 1.00 0.00 H new ATOM 0 HA TYR A 30 6.435 -17.207 -10.118 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.369 -14.740 -10.449 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.810 -15.180 -8.812 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.175 -13.956 -12.041 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.920 -14.528 -7.889 1.00 0.00 H new ATOM 0 HE1 TYR A 30 10.205 -12.585 -12.221 1.00 0.00 H new ATOM 0 HE2 TYR A 30 10.948 -13.154 -8.059 1.00 0.00 H new ATOM 0 HH TYR A 30 12.263 -11.950 -9.369 1.00 0.00 H new ATOM 491 N LEU A 31 8.905 -16.991 -12.157 1.00 0.00 N ATOM 492 CA LEU A 31 9.265 -17.226 -13.563 1.00 0.00 C ATOM 493 C LEU A 31 8.524 -18.449 -14.128 1.00 0.00 C ATOM 494 O LEU A 31 7.752 -18.340 -15.089 1.00 0.00 O ATOM 495 CB LEU A 31 10.782 -17.411 -13.697 1.00 0.00 C ATOM 496 CG LEU A 31 11.275 -17.760 -15.107 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.963 -16.619 -16.066 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.771 -18.039 -15.069 1.00 0.00 C ATOM 0 H LEU A 31 9.683 -17.076 -11.502 1.00 0.00 H new ATOM 0 HA LEU A 31 8.963 -16.353 -14.142 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.274 -16.493 -13.374 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.098 -18.199 -13.014 1.00 0.00 H new ATOM 0 HG LEU A 31 10.761 -18.654 -15.461 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.317 -16.876 -17.064 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.886 -16.452 -16.094 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.462 -15.712 -15.727 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.120 -18.287 -16.071 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.297 -17.155 -14.710 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.968 -18.876 -14.399 1.00 0.00 H new ATOM 510 N GLN A 32 8.746 -19.613 -13.517 1.00 0.00 N ATOM 511 CA GLN A 32 8.080 -20.843 -13.949 1.00 0.00 C ATOM 512 C GLN A 32 6.566 -20.763 -13.717 1.00 0.00 C ATOM 513 O GLN A 32 5.789 -21.281 -14.514 1.00 0.00 O ATOM 514 CB GLN A 32 8.656 -22.052 -13.207 1.00 0.00 C ATOM 515 CG GLN A 32 10.065 -22.430 -13.630 1.00 0.00 C ATOM 516 CD GLN A 32 10.152 -22.778 -15.104 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.173 -23.222 -15.711 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.328 -22.583 -15.688 1.00 0.00 N ATOM 0 H GLN A 32 9.378 -19.730 -12.725 1.00 0.00 H new ATOM 0 HA GLN A 32 8.259 -20.961 -15.018 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.654 -21.842 -12.137 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.000 -22.908 -13.365 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.741 -21.602 -13.414 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.403 -23.280 -13.038 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.111 -22.214 -15.148 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.449 -22.802 -16.677 1.00 0.00 H new ATOM 527 N GLU A 33 6.150 -20.098 -12.639 1.00 0.00 N ATOM 528 CA GLU A 33 4.720 -19.936 -12.343 1.00 0.00 C ATOM 529 C GLU A 33 4.031 -19.061 -13.411 1.00 0.00 C ATOM 530 O GLU A 33 2.915 -19.354 -13.843 1.00 0.00 O ATOM 531 CB GLU A 33 4.528 -19.324 -10.953 1.00 0.00 C ATOM 532 CG GLU A 33 3.161 -19.581 -10.336 1.00 0.00 C ATOM 533 CD GLU A 33 3.129 -20.894 -9.606 1.00 0.00 C ATOM 534 OE1 GLU A 33 3.354 -21.904 -10.229 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.992 -20.881 -8.405 1.00 0.00 O ATOM 0 H GLU A 33 6.775 -19.665 -11.959 1.00 0.00 H new ATOM 0 HA GLU A 33 4.258 -20.923 -12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.294 -19.720 -10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.687 -18.248 -11.018 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.913 -18.773 -9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.401 -19.578 -11.117 1.00 0.00 H new ATOM 542 N THR A 34 4.712 -18.002 -13.857 1.00 0.00 N ATOM 543 CA THR A 34 4.171 -17.110 -14.902 1.00 0.00 C ATOM 544 C THR A 34 4.015 -17.844 -16.243 1.00 0.00 C ATOM 545 O THR A 34 3.038 -17.643 -16.970 1.00 0.00 O ATOM 546 CB THR A 34 5.068 -15.875 -15.111 1.00 0.00 C ATOM 547 OG1 THR A 34 5.111 -15.102 -13.905 1.00 0.00 O ATOM 548 CG2 THR A 34 4.530 -15.012 -16.243 1.00 0.00 C ATOM 0 H THR A 34 5.636 -17.737 -13.516 1.00 0.00 H new ATOM 0 HA THR A 34 3.190 -16.786 -14.554 1.00 0.00 H new ATOM 0 HB THR A 34 6.072 -16.213 -15.369 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.893 -15.364 -13.376 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.175 -14.144 -16.377 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.508 -15.593 -17.165 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.521 -14.680 -15.999 1.00 0.00 H new ATOM 556 N THR A 35 4.991 -18.686 -16.568 1.00 0.00 N ATOM 557 CA THR A 35 5.056 -19.338 -17.888 1.00 0.00 C ATOM 558 C THR A 35 4.272 -20.668 -17.927 1.00 0.00 C ATOM 559 O THR A 35 3.795 -21.088 -18.988 1.00 0.00 O ATOM 560 CB THR A 35 6.514 -19.607 -18.304 1.00 0.00 C ATOM 561 OG1 THR A 35 7.137 -20.467 -17.341 1.00 0.00 O ATOM 562 CG2 THR A 35 7.293 -18.303 -18.392 1.00 0.00 C ATOM 0 H THR A 35 5.753 -18.939 -15.939 1.00 0.00 H new ATOM 0 HA THR A 35 4.594 -18.644 -18.590 1.00 0.00 H new ATOM 0 HB THR A 35 6.514 -20.085 -19.283 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.064 -20.639 -17.607 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.321 -18.513 -18.687 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.829 -17.651 -19.132 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.288 -17.810 -17.420 1.00 0.00 H new ATOM 570 N LYS A 36 4.119 -21.321 -16.776 1.00 0.00 N ATOM 571 CA LYS A 36 3.513 -22.661 -16.719 1.00 0.00 C ATOM 572 C LYS A 36 2.358 -22.758 -15.695 1.00 0.00 C ATOM 573 O LYS A 36 1.444 -23.573 -15.863 1.00 0.00 O ATOM 574 CB LYS A 36 4.584 -23.704 -16.393 1.00 0.00 C ATOM 575 CG LYS A 36 5.706 -23.794 -17.418 1.00 0.00 C ATOM 576 CD LYS A 36 5.186 -24.264 -18.768 1.00 0.00 C ATOM 577 CE LYS A 36 6.324 -24.510 -19.747 1.00 0.00 C ATOM 578 NZ LYS A 36 5.833 -25.020 -21.055 1.00 0.00 N ATOM 0 H LYS A 36 4.404 -20.950 -15.870 1.00 0.00 H new ATOM 0 HA LYS A 36 3.084 -22.856 -17.702 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.015 -23.472 -15.419 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.108 -24.681 -16.306 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.180 -22.819 -17.528 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.472 -24.482 -17.062 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.611 -25.181 -18.639 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.507 -23.517 -19.178 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.875 -23.582 -19.903 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.023 -25.227 -19.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.640 -25.174 -21.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.329 -25.918 -20.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.186 -24.324 -21.478 1.00 0.00 H new ATOM 592 N PHE A 37 2.424 -21.946 -14.632 1.00 0.00 N ATOM 593 CA PHE A 37 1.367 -21.868 -13.596 1.00 0.00 C ATOM 594 C PHE A 37 1.329 -23.151 -12.730 1.00 0.00 C ATOM 595 O PHE A 37 0.341 -23.438 -12.043 1.00 0.00 O ATOM 596 CB PHE A 37 -0.011 -21.583 -14.238 1.00 0.00 C ATOM 597 CG PHE A 37 -1.071 -21.102 -13.269 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.148 -19.763 -12.917 1.00 0.00 C ATOM 599 CD2 PHE A 37 -1.990 -21.985 -12.718 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.114 -19.312 -12.038 1.00 0.00 C ATOM 601 CE2 PHE A 37 -2.959 -21.540 -11.838 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.020 -20.203 -11.498 1.00 0.00 C ATOM 0 H PHE A 37 3.211 -21.320 -14.459 1.00 0.00 H new ATOM 0 HA PHE A 37 1.608 -21.036 -12.934 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.115 -20.834 -15.019 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.366 -22.492 -14.723 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.442 -19.062 -13.336 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.947 -23.032 -12.980 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.160 -18.266 -11.774 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.668 -22.238 -11.417 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.776 -19.854 -10.810 1.00 0.00 H new ATOM 612 N VAL A 38 2.434 -23.901 -12.741 1.00 0.00 N ATOM 613 CA VAL A 38 2.552 -25.166 -12.000 1.00 0.00 C ATOM 614 C VAL A 38 3.968 -25.336 -11.413 1.00 0.00 C ATOM 615 O VAL A 38 4.846 -24.502 -11.630 1.00 0.00 O ATOM 616 CB VAL A 38 2.228 -26.376 -12.896 1.00 0.00 C ATOM 617 CG1 VAL A 38 0.779 -26.324 -13.355 1.00 0.00 C ATOM 618 CG2 VAL A 38 3.164 -26.419 -14.093 1.00 0.00 C ATOM 0 H VAL A 38 3.274 -23.651 -13.263 1.00 0.00 H new ATOM 0 HA VAL A 38 1.828 -25.125 -11.186 1.00 0.00 H new ATOM 0 HB VAL A 38 2.373 -27.285 -12.313 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.566 -27.186 -13.987 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.121 -26.340 -12.486 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.609 -25.408 -13.921 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.920 -27.280 -14.715 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.050 -25.506 -14.677 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.194 -26.502 -13.747 1.00 0.00 H new ATOM 628 N THR A 39 4.191 -26.425 -10.678 1.00 0.00 N ATOM 629 CA THR A 39 5.513 -26.688 -10.083 1.00 0.00 C ATOM 630 C THR A 39 6.489 -27.362 -11.072 1.00 0.00 C ATOM 631 O THR A 39 6.516 -28.582 -11.224 1.00 0.00 O ATOM 632 CB THR A 39 5.387 -27.573 -8.829 1.00 0.00 C ATOM 633 OG1 THR A 39 6.662 -27.668 -8.179 1.00 0.00 O ATOM 634 CG2 THR A 39 4.911 -28.968 -9.206 1.00 0.00 C ATOM 0 H THR A 39 3.487 -27.135 -10.478 1.00 0.00 H new ATOM 0 HA THR A 39 5.919 -25.713 -9.814 1.00 0.00 H new ATOM 0 HB THR A 39 4.659 -27.121 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.581 -28.230 -7.380 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.828 -29.579 -8.307 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.937 -28.901 -9.691 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.627 -29.424 -9.890 1.00 0.00 H new ATOM 642 N GLU A 40 7.273 -26.538 -11.767 1.00 0.00 N ATOM 643 CA GLU A 40 8.231 -27.017 -12.776 1.00 0.00 C ATOM 644 C GLU A 40 9.603 -27.317 -12.142 1.00 0.00 C ATOM 645 O GLU A 40 9.857 -26.948 -10.998 1.00 0.00 O ATOM 646 CB GLU A 40 8.383 -25.991 -13.901 1.00 0.00 C ATOM 647 CG GLU A 40 7.143 -25.818 -14.766 1.00 0.00 C ATOM 648 CD GLU A 40 6.888 -27.038 -15.605 1.00 0.00 C ATOM 649 OE1 GLU A 40 7.762 -27.867 -15.697 1.00 0.00 O ATOM 650 OE2 GLU A 40 5.782 -27.199 -16.064 1.00 0.00 O ATOM 0 H GLU A 40 7.266 -25.525 -11.651 1.00 0.00 H new ATOM 0 HA GLU A 40 7.839 -27.944 -13.195 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.644 -25.027 -13.464 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.216 -26.289 -14.537 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.279 -25.623 -14.131 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.266 -24.949 -15.412 1.00 0.00 H new ATOM 657 N ARG A 41 10.494 -27.977 -12.888 1.00 0.00 N ATOM 658 CA ARG A 41 11.791 -28.394 -12.339 1.00 0.00 C ATOM 659 C ARG A 41 12.459 -27.240 -11.579 1.00 0.00 C ATOM 660 O ARG A 41 12.734 -27.347 -10.388 1.00 0.00 O ATOM 661 CB ARG A 41 12.711 -28.968 -13.406 1.00 0.00 C ATOM 662 CG ARG A 41 14.080 -29.400 -12.905 1.00 0.00 C ATOM 663 CD ARG A 41 14.954 -29.995 -13.948 1.00 0.00 C ATOM 664 NE ARG A 41 16.314 -30.267 -13.511 1.00 0.00 N ATOM 665 CZ ARG A 41 17.245 -30.897 -14.254 1.00 0.00 C ATOM 666 NH1 ARG A 41 16.959 -31.355 -15.452 1.00 0.00 N ATOM 667 NH2 ARG A 41 18.450 -31.065 -13.736 1.00 0.00 N ATOM 0 H ARG A 41 10.345 -28.233 -13.864 1.00 0.00 H new ATOM 0 HA ARG A 41 11.599 -29.199 -11.630 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.220 -29.827 -13.865 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.845 -28.222 -14.189 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.585 -28.536 -12.474 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.948 -30.125 -12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.504 -30.926 -14.294 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.989 -29.320 -14.803 1.00 0.00 H new ATOM 0 HE ARG A 41 16.582 -29.959 -12.576 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.020 -31.236 -15.833 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.676 -31.830 -16.001 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.654 -30.721 -12.798 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.175 -31.538 -14.275 1.00 0.00 H new ATOM 681 N GLU A 42 12.680 -26.123 -12.267 1.00 0.00 N ATOM 682 CA GLU A 42 13.380 -24.972 -11.680 1.00 0.00 C ATOM 683 C GLU A 42 12.614 -24.419 -10.459 1.00 0.00 C ATOM 684 O GLU A 42 13.206 -23.885 -9.523 1.00 0.00 O ATOM 685 CB GLU A 42 13.571 -23.872 -12.727 1.00 0.00 C ATOM 686 CG GLU A 42 14.606 -24.196 -13.795 1.00 0.00 C ATOM 687 CD GLU A 42 14.703 -23.092 -14.813 1.00 0.00 C ATOM 688 OE1 GLU A 42 13.944 -22.157 -14.721 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.606 -23.129 -15.615 1.00 0.00 O ATOM 0 H GLU A 42 12.386 -25.985 -13.234 1.00 0.00 H new ATOM 0 HA GLU A 42 14.359 -25.311 -11.342 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.614 -23.678 -13.212 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.864 -22.952 -12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.579 -24.349 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.340 -25.129 -14.291 1.00 0.00 H new ATOM 696 N TYR A 43 11.291 -24.571 -10.487 1.00 0.00 N ATOM 697 CA TYR A 43 10.406 -24.104 -9.411 1.00 0.00 C ATOM 698 C TYR A 43 10.647 -24.869 -8.095 1.00 0.00 C ATOM 699 O TYR A 43 10.564 -24.288 -7.014 1.00 0.00 O ATOM 700 CB TYR A 43 8.952 -24.273 -9.882 1.00 0.00 C ATOM 701 CG TYR A 43 7.876 -23.690 -8.983 1.00 0.00 C ATOM 702 CD1 TYR A 43 7.290 -24.457 -7.981 1.00 0.00 C ATOM 703 CD2 TYR A 43 7.410 -22.392 -9.173 1.00 0.00 C ATOM 704 CE1 TYR A 43 6.280 -23.946 -7.190 1.00 0.00 C ATOM 705 CE2 TYR A 43 6.395 -21.880 -8.391 1.00 0.00 C ATOM 706 CZ TYR A 43 5.834 -22.659 -7.402 1.00 0.00 C ATOM 707 OH TYR A 43 4.815 -22.155 -6.630 1.00 0.00 O ATOM 0 H TYR A 43 10.797 -25.022 -11.257 1.00 0.00 H new ATOM 0 HA TYR A 43 10.618 -23.056 -9.201 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.857 -23.817 -10.867 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.755 -25.338 -10.004 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.631 -25.469 -7.819 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.850 -21.777 -9.944 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.842 -24.551 -6.410 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.041 -20.873 -8.553 1.00 0.00 H new ATOM 0 HH TYR A 43 5.192 -21.647 -5.881 1.00 0.00 H new ATOM 717 N TYR A 44 10.944 -26.172 -8.185 1.00 0.00 N ATOM 718 CA TYR A 44 11.101 -27.003 -6.973 1.00 0.00 C ATOM 719 C TYR A 44 12.472 -27.707 -6.880 1.00 0.00 C ATOM 720 O TYR A 44 12.727 -28.425 -5.917 1.00 0.00 O ATOM 721 CB TYR A 44 9.985 -28.049 -6.915 1.00 0.00 C ATOM 722 CG TYR A 44 10.104 -29.131 -7.965 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.989 -30.187 -7.805 1.00 0.00 C ATOM 724 CD2 TYR A 44 9.328 -29.093 -9.115 1.00 0.00 C ATOM 725 CE1 TYR A 44 11.101 -31.177 -8.762 1.00 0.00 C ATOM 726 CE2 TYR A 44 9.432 -30.078 -10.078 1.00 0.00 C ATOM 727 CZ TYR A 44 10.320 -31.119 -9.898 1.00 0.00 C ATOM 728 OH TYR A 44 10.426 -32.103 -10.854 1.00 0.00 O ATOM 0 H TYR A 44 11.079 -26.671 -9.064 1.00 0.00 H new ATOM 0 HA TYR A 44 11.039 -26.324 -6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.986 -28.512 -5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.024 -27.548 -7.031 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.601 -30.236 -6.917 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.632 -28.280 -9.259 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.796 -31.992 -8.622 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.821 -30.034 -10.968 1.00 0.00 H new ATOM 0 HH TYR A 44 9.806 -31.913 -11.589 1.00 0.00 H new ATOM 738 N GLU A 45 13.346 -27.501 -7.867 1.00 0.00 N ATOM 739 CA GLU A 45 14.664 -28.169 -7.896 1.00 0.00 C ATOM 740 C GLU A 45 15.544 -27.789 -6.688 1.00 0.00 C ATOM 741 O GLU A 45 16.102 -28.658 -6.015 1.00 0.00 O ATOM 742 CB GLU A 45 15.395 -27.831 -9.197 1.00 0.00 C ATOM 743 CG GLU A 45 16.790 -28.431 -9.307 1.00 0.00 C ATOM 744 CD GLU A 45 17.356 -28.249 -10.687 1.00 0.00 C ATOM 745 OE1 GLU A 45 17.461 -27.128 -11.124 1.00 0.00 O ATOM 746 OE2 GLU A 45 17.787 -29.219 -11.263 1.00 0.00 O ATOM 0 H GLU A 45 13.173 -26.880 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 45 14.481 -29.242 -7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.795 -28.179 -10.038 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.470 -26.747 -9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.449 -27.961 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.751 -29.493 -9.065 1.00 0.00 H new ATOM 753 N ASP A 46 15.675 -26.493 -6.421 1.00 0.00 N ATOM 754 CA ASP A 46 16.441 -26.024 -5.258 1.00 0.00 C ATOM 755 C ASP A 46 15.539 -25.347 -4.212 1.00 0.00 C ATOM 756 O ASP A 46 16.017 -24.592 -3.357 1.00 0.00 O ATOM 757 CB ASP A 46 17.542 -25.058 -5.703 1.00 0.00 C ATOM 758 CG ASP A 46 18.620 -25.689 -6.574 1.00 0.00 C ATOM 759 OD1 ASP A 46 19.159 -26.697 -6.181 1.00 0.00 O ATOM 760 OD2 ASP A 46 18.785 -25.254 -7.688 1.00 0.00 O ATOM 0 H ASP A 46 15.266 -25.749 -6.986 1.00 0.00 H new ATOM 0 HA ASP A 46 16.893 -26.899 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 46 17.085 -24.234 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 46 18.012 -24.630 -4.818 1.00 0.00 H new ATOM 765 N PHE A 47 14.244 -25.628 -4.275 1.00 0.00 N ATOM 766 CA PHE A 47 13.261 -24.965 -3.413 1.00 0.00 C ATOM 767 C PHE A 47 12.663 -25.923 -2.367 1.00 0.00 C ATOM 768 O PHE A 47 12.696 -27.145 -2.524 1.00 0.00 O ATOM 769 CB PHE A 47 12.143 -24.356 -4.264 1.00 0.00 C ATOM 770 CG PHE A 47 12.570 -23.148 -5.049 1.00 0.00 C ATOM 771 CD1 PHE A 47 13.355 -23.282 -6.183 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.185 -21.876 -4.653 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.748 -22.171 -6.906 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.574 -20.763 -5.374 1.00 0.00 C ATOM 775 CZ PHE A 47 13.357 -20.912 -6.502 1.00 0.00 C ATOM 0 H PHE A 47 13.844 -26.313 -4.916 1.00 0.00 H new ATOM 0 HA PHE A 47 13.783 -24.176 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.770 -25.113 -4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.313 -24.081 -3.614 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.663 -24.265 -6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.574 -21.754 -3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.361 -22.289 -7.787 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.266 -19.778 -5.056 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.663 -20.044 -7.067 1.00 0.00 H new ATOM 785 N GLY A 48 12.109 -25.358 -1.296 1.00 0.00 N ATOM 786 CA GLY A 48 11.473 -26.174 -0.264 1.00 0.00 C ATOM 787 C GLY A 48 11.437 -25.502 1.105 1.00 0.00 C ATOM 788 O GLY A 48 10.516 -25.726 1.892 1.00 0.00 O ATOM 0 H GLY A 48 12.087 -24.353 -1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.454 -26.407 -0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.006 -27.121 -0.181 1.00 0.00 H new ATOM 792 N TYR A 49 12.434 -24.673 1.394 1.00 0.00 N ATOM 793 CA TYR A 49 12.563 -24.049 2.721 1.00 0.00 C ATOM 794 C TYR A 49 12.663 -22.519 2.624 1.00 0.00 C ATOM 795 O TYR A 49 13.176 -21.983 1.648 1.00 0.00 O ATOM 796 CB TYR A 49 13.785 -24.615 3.460 1.00 0.00 C ATOM 797 CG TYR A 49 13.676 -26.101 3.767 1.00 0.00 C ATOM 798 CD1 TYR A 49 14.000 -27.062 2.811 1.00 0.00 C ATOM 799 CD2 TYR A 49 13.239 -26.540 5.013 1.00 0.00 C ATOM 800 CE1 TYR A 49 13.895 -28.412 3.092 1.00 0.00 C ATOM 801 CE2 TYR A 49 13.130 -27.888 5.298 1.00 0.00 C ATOM 802 CZ TYR A 49 13.458 -28.819 4.336 1.00 0.00 C ATOM 803 OH TYR A 49 13.347 -30.161 4.619 1.00 0.00 O ATOM 0 H TYR A 49 13.167 -24.413 0.734 1.00 0.00 H new ATOM 0 HA TYR A 49 11.661 -24.286 3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 49 14.676 -24.441 2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 49 13.920 -24.069 4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 49 14.339 -26.747 1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.981 -25.815 5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.154 -29.144 2.341 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.789 -28.211 6.271 1.00 0.00 H new ATOM 0 HH TYR A 49 14.235 -30.529 4.812 1.00 0.00 H new ATOM 813 N GLY A 50 12.174 -21.831 3.655 1.00 0.00 N ATOM 814 CA GLY A 50 12.305 -20.377 3.732 1.00 0.00 C ATOM 815 C GLY A 50 10.949 -19.680 3.758 1.00 0.00 C ATOM 816 O GLY A 50 9.950 -20.299 4.116 1.00 0.00 O ATOM 0 H GLY A 50 11.686 -22.254 4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.866 -20.111 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.880 -20.019 2.878 1.00 0.00 H new ATOM 820 N GLU A 51 10.915 -18.402 3.371 1.00 0.00 N ATOM 821 CA GLU A 51 9.664 -17.616 3.354 1.00 0.00 C ATOM 822 C GLU A 51 8.614 -18.244 2.430 1.00 0.00 C ATOM 823 O GLU A 51 7.524 -18.603 2.861 1.00 0.00 O ATOM 824 CB GLU A 51 9.943 -16.175 2.921 1.00 0.00 C ATOM 825 CG GLU A 51 10.442 -15.268 4.037 1.00 0.00 C ATOM 826 CD GLU A 51 9.298 -14.597 4.747 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.053 -14.928 5.882 1.00 0.00 O ATOM 828 OE2 GLU A 51 8.742 -13.676 4.197 1.00 0.00 O ATOM 0 H GLU A 51 11.737 -17.883 3.064 1.00 0.00 H new ATOM 0 HA GLU A 51 9.265 -17.616 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.683 -16.186 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.029 -15.750 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.024 -15.852 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.110 -14.512 3.623 1.00 0.00 H new ATOM 835 N CYS A 52 8.957 -18.363 1.154 1.00 0.00 N ATOM 836 CA CYS A 52 8.146 -19.115 0.195 1.00 0.00 C ATOM 837 C CYS A 52 9.035 -20.094 -0.581 1.00 0.00 C ATOM 838 O CYS A 52 9.156 -20.009 -1.802 1.00 0.00 O ATOM 839 CB CYS A 52 7.600 -18.023 -0.727 1.00 0.00 C ATOM 840 SG CYS A 52 6.555 -16.799 0.097 1.00 0.00 S ATOM 0 H CYS A 52 9.797 -17.946 0.753 1.00 0.00 H new ATOM 0 HA CYS A 52 7.358 -19.712 0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.439 -17.509 -1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.026 -18.493 -1.526 1.00 0.00 H new ATOM 0 HG CYS A 52 7.304 -15.925 0.701 1.00 0.00 H new ATOM 846 N PHE A 53 9.699 -20.997 0.154 1.00 0.00 N ATOM 847 CA PHE A 53 10.693 -21.922 -0.430 1.00 0.00 C ATOM 848 C PHE A 53 11.921 -21.181 -1.001 1.00 0.00 C ATOM 849 O PHE A 53 12.766 -21.789 -1.662 1.00 0.00 O ATOM 850 CB PHE A 53 10.058 -22.783 -1.541 1.00 0.00 C ATOM 851 CG PHE A 53 8.924 -23.688 -1.103 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.360 -23.582 0.158 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.418 -24.649 -1.976 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.321 -24.411 0.536 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.381 -25.474 -1.597 1.00 0.00 C ATOM 856 CZ PHE A 53 6.832 -25.354 -0.341 1.00 0.00 C ATOM 0 H PHE A 53 9.568 -21.110 1.159 1.00 0.00 H new ATOM 0 HA PHE A 53 11.031 -22.563 0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.688 -22.120 -2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.838 -23.399 -1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.736 -22.845 0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.844 -24.749 -2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.891 -24.319 1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.000 -26.214 -2.285 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.018 -25.999 -0.043 1.00 0.00 H new ATOM 866 N ASN A 54 12.031 -19.882 -0.722 1.00 0.00 N ATOM 867 CA ASN A 54 13.063 -19.042 -1.340 1.00 0.00 C ATOM 868 C ASN A 54 14.334 -18.940 -0.474 1.00 0.00 C ATOM 869 O ASN A 54 14.319 -19.254 0.716 1.00 0.00 O ATOM 870 CB ASN A 54 12.526 -17.655 -1.639 1.00 0.00 C ATOM 871 CG ASN A 54 11.899 -16.979 -0.451 1.00 0.00 C ATOM 872 OD1 ASN A 54 11.623 -17.611 0.574 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.599 -15.715 -0.614 1.00 0.00 N ATOM 0 H ASN A 54 11.420 -19.387 -0.073 1.00 0.00 H new ATOM 0 HA ASN A 54 13.340 -19.528 -2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.340 -17.033 -2.012 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.787 -17.726 -2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.115 -15.206 0.126 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.850 -15.239 -1.481 1.00 0.00 H new ATOM 880 N SER A 55 15.429 -18.480 -1.086 1.00 0.00 N ATOM 881 CA SER A 55 16.698 -18.253 -0.370 1.00 0.00 C ATOM 882 C SER A 55 16.940 -16.752 -0.141 1.00 0.00 C ATOM 883 O SER A 55 18.079 -16.299 -0.019 1.00 0.00 O ATOM 884 CB SER A 55 17.852 -18.863 -1.141 1.00 0.00 C ATOM 885 OG SER A 55 17.969 -18.322 -2.429 1.00 0.00 O ATOM 0 H SER A 55 15.467 -18.255 -2.080 1.00 0.00 H new ATOM 0 HA SER A 55 16.631 -18.737 0.604 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.780 -18.699 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.710 -19.941 -1.213 1.00 0.00 H new ATOM 0 HG SER A 55 17.158 -18.520 -2.942 1.00 0.00 H new ATOM 891 N THR A 56 15.849 -15.991 -0.108 1.00 0.00 N ATOM 892 CA THR A 56 15.892 -14.533 0.079 1.00 0.00 C ATOM 893 C THR A 56 15.483 -14.110 1.503 1.00 0.00 C ATOM 894 O THR A 56 14.883 -14.887 2.247 1.00 0.00 O ATOM 895 CB THR A 56 14.977 -13.818 -0.932 1.00 0.00 C ATOM 896 OG1 THR A 56 13.608 -14.132 -0.650 1.00 0.00 O ATOM 897 CG2 THR A 56 15.310 -14.252 -2.352 1.00 0.00 C ATOM 0 H THR A 56 14.905 -16.364 -0.210 1.00 0.00 H new ATOM 0 HA THR A 56 16.929 -14.239 -0.085 1.00 0.00 H new ATOM 0 HB THR A 56 15.135 -12.743 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.023 -13.556 -1.186 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.654 -13.737 -3.053 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.347 -14.002 -2.575 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.168 -15.329 -2.446 1.00 0.00 H new ATOM 905 N GLU A 57 15.809 -12.865 1.867 1.00 0.00 N ATOM 906 CA GLU A 57 15.539 -12.330 3.212 1.00 0.00 C ATOM 907 C GLU A 57 14.037 -12.117 3.502 1.00 0.00 C ATOM 908 O GLU A 57 13.304 -11.539 2.690 1.00 0.00 O ATOM 909 CB GLU A 57 16.290 -11.010 3.405 1.00 0.00 C ATOM 910 CG GLU A 57 16.158 -10.408 4.796 1.00 0.00 C ATOM 911 CD GLU A 57 16.965 -9.146 4.924 1.00 0.00 C ATOM 912 OE1 GLU A 57 17.601 -8.771 3.969 1.00 0.00 O ATOM 913 OE2 GLU A 57 16.859 -8.498 5.938 1.00 0.00 O ATOM 0 H GLU A 57 16.266 -12.200 1.243 1.00 0.00 H new ATOM 0 HA GLU A 57 15.891 -13.081 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.346 -11.173 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.925 -10.288 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.110 -10.194 5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.490 -11.131 5.541 1.00 0.00 H new ATOM 920 N SER A 58 13.586 -12.609 4.655 1.00 0.00 N ATOM 921 CA SER A 58 12.204 -12.406 5.109 1.00 0.00 C ATOM 922 C SER A 58 11.859 -10.907 5.198 1.00 0.00 C ATOM 923 O SER A 58 12.497 -10.161 5.945 1.00 0.00 O ATOM 924 CB SER A 58 11.995 -13.078 6.452 1.00 0.00 C ATOM 925 OG SER A 58 10.677 -12.940 6.910 1.00 0.00 O ATOM 0 H SER A 58 14.159 -13.155 5.298 1.00 0.00 H new ATOM 0 HA SER A 58 11.535 -12.858 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.241 -14.137 6.370 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.680 -12.648 7.183 1.00 0.00 H new ATOM 0 HG SER A 58 10.467 -13.672 7.527 1.00 0.00 H new ATOM 931 N GLU A 59 10.841 -10.469 4.450 1.00 0.00 N ATOM 932 CA GLU A 59 10.428 -9.055 4.477 1.00 0.00 C ATOM 933 C GLU A 59 9.001 -8.842 5.025 1.00 0.00 C ATOM 934 O GLU A 59 8.746 -7.875 5.752 1.00 0.00 O ATOM 935 CB GLU A 59 10.534 -8.457 3.073 1.00 0.00 C ATOM 936 CG GLU A 59 11.953 -8.372 2.530 1.00 0.00 C ATOM 937 CD GLU A 59 11.969 -7.860 1.117 1.00 0.00 C ATOM 938 OE1 GLU A 59 10.912 -7.635 0.576 1.00 0.00 O ATOM 939 OE2 GLU A 59 13.034 -7.589 0.615 1.00 0.00 O ATOM 0 H GLU A 59 10.292 -11.060 3.826 1.00 0.00 H new ATOM 0 HA GLU A 59 11.106 -8.547 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.932 -9.056 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.102 -7.456 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.548 -7.714 3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.418 -9.357 2.567 1.00 0.00 H new ATOM 946 N VAL A 60 8.078 -9.749 4.704 1.00 0.00 N ATOM 947 CA VAL A 60 6.675 -9.611 5.135 1.00 0.00 C ATOM 948 C VAL A 60 6.174 -10.849 5.922 1.00 0.00 C ATOM 949 O VAL A 60 4.972 -11.026 6.142 1.00 0.00 O ATOM 950 CB VAL A 60 5.746 -9.377 3.928 1.00 0.00 C ATOM 951 CG1 VAL A 60 6.064 -8.047 3.261 1.00 0.00 C ATOM 952 CG2 VAL A 60 5.874 -10.516 2.928 1.00 0.00 C ATOM 0 H VAL A 60 8.269 -10.584 4.151 1.00 0.00 H new ATOM 0 HA VAL A 60 6.645 -8.746 5.798 1.00 0.00 H new ATOM 0 HB VAL A 60 4.717 -9.347 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.399 -7.898 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.924 -7.238 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.098 -8.051 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.211 -10.334 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.904 -10.577 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.599 -11.455 3.409 1.00 0.00 H new ATOM 962 N GLN A 61 7.124 -11.687 6.355 1.00 0.00 N ATOM 963 CA GLN A 61 6.857 -12.889 7.178 1.00 0.00 C ATOM 964 C GLN A 61 5.956 -13.930 6.483 1.00 0.00 C ATOM 965 O GLN A 61 5.053 -14.498 7.106 1.00 0.00 O ATOM 966 CB GLN A 61 6.211 -12.477 8.504 1.00 0.00 C ATOM 967 CG GLN A 61 7.081 -11.578 9.367 1.00 0.00 C ATOM 968 CD GLN A 61 6.409 -11.205 10.675 1.00 0.00 C ATOM 969 OE1 GLN A 61 5.296 -11.651 10.967 1.00 0.00 O ATOM 970 NE2 GLN A 61 7.079 -10.378 11.469 1.00 0.00 N ATOM 0 H GLN A 61 8.113 -11.554 6.145 1.00 0.00 H new ATOM 0 HA GLN A 61 7.824 -13.364 7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.273 -11.963 8.294 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.963 -13.375 9.069 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.024 -12.083 9.577 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.322 -10.670 8.814 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.997 -10.033 11.188 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.676 -10.088 12.360 1.00 0.00 H new ATOM 979 N CYS A 62 6.226 -14.219 5.209 1.00 0.00 N ATOM 980 CA CYS A 62 5.516 -15.294 4.500 1.00 0.00 C ATOM 981 C CYS A 62 5.759 -16.654 5.162 1.00 0.00 C ATOM 982 O CYS A 62 4.938 -17.564 5.043 1.00 0.00 O ATOM 983 CB CYS A 62 6.145 -15.254 3.107 1.00 0.00 C ATOM 984 SG CYS A 62 5.782 -13.755 2.162 1.00 0.00 S ATOM 0 H CYS A 62 6.924 -13.731 4.648 1.00 0.00 H new ATOM 0 HA CYS A 62 4.434 -15.160 4.497 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.226 -15.352 3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.798 -16.118 2.541 1.00 0.00 H new ATOM 0 HG CYS A 62 4.703 -13.935 1.460 1.00 0.00 H new ATOM 990 N GLU A 63 6.879 -16.784 5.885 1.00 0.00 N ATOM 991 CA GLU A 63 7.195 -18.037 6.594 1.00 0.00 C ATOM 992 C GLU A 63 6.006 -18.517 7.456 1.00 0.00 C ATOM 993 O GLU A 63 5.868 -19.707 7.750 1.00 0.00 O ATOM 994 CB GLU A 63 8.436 -17.852 7.470 1.00 0.00 C ATOM 995 CG GLU A 63 8.321 -16.734 8.497 1.00 0.00 C ATOM 996 CD GLU A 63 9.676 -16.251 8.932 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.456 -17.055 9.384 1.00 0.00 O ATOM 998 OE2 GLU A 63 9.974 -15.101 8.710 1.00 0.00 O ATOM 0 H GLU A 63 7.576 -16.048 5.996 1.00 0.00 H new ATOM 0 HA GLU A 63 7.395 -18.801 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.641 -18.787 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.293 -17.651 6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.756 -15.904 8.073 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.764 -17.089 9.364 1.00 0.00 H new ATOM 1005 N LEU A 64 5.161 -17.578 7.863 1.00 0.00 N ATOM 1006 CA LEU A 64 3.948 -17.877 8.626 1.00 0.00 C ATOM 1007 C LEU A 64 2.725 -17.371 7.846 1.00 0.00 C ATOM 1008 O LEU A 64 2.013 -18.152 7.215 1.00 0.00 O ATOM 1009 CB LEU A 64 4.013 -17.239 10.019 1.00 0.00 C ATOM 1010 CG LEU A 64 5.118 -17.782 10.934 1.00 0.00 C ATOM 1011 CD1 LEU A 64 5.167 -16.979 12.227 1.00 0.00 C ATOM 1012 CD2 LEU A 64 4.862 -19.253 11.224 1.00 0.00 C ATOM 0 H LEU A 64 5.295 -16.584 7.675 1.00 0.00 H new ATOM 0 HA LEU A 64 3.863 -18.955 8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.155 -16.164 9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.052 -17.382 10.512 1.00 0.00 H new ATOM 0 HG LEU A 64 6.082 -17.685 10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.955 -17.372 12.870 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.373 -15.933 11.998 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.208 -17.056 12.740 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.648 -19.638 11.874 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.896 -19.364 11.717 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.858 -19.813 10.289 1.00 0.00 H new ATOM 1024 N ILE A 65 2.509 -16.052 7.897 1.00 0.00 N ATOM 1025 CA ILE A 65 1.341 -15.401 7.284 1.00 0.00 C ATOM 1026 C ILE A 65 1.614 -13.901 7.048 1.00 0.00 C ATOM 1027 O ILE A 65 2.222 -13.223 7.879 1.00 0.00 O ATOM 1028 CB ILE A 65 0.082 -15.558 8.156 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -1.143 -14.997 7.429 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.274 -14.867 9.496 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -2.461 -15.460 8.009 1.00 0.00 C ATOM 0 H ILE A 65 3.140 -15.402 8.366 1.00 0.00 H new ATOM 0 HA ILE A 65 1.165 -15.894 6.328 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.084 -16.620 8.340 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.105 -13.908 7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.096 -15.288 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.625 -14.988 10.100 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.123 -15.311 10.016 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.463 -13.806 9.334 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.282 -15.021 7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.521 -16.547 7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.531 -15.146 9.050 1.00 0.00 H new ATOM 1043 N THR A 66 1.163 -13.383 5.905 1.00 0.00 N ATOM 1044 CA THR A 66 1.382 -11.968 5.545 1.00 0.00 C ATOM 1045 C THR A 66 0.103 -11.125 5.737 1.00 0.00 C ATOM 1046 O THR A 66 0.153 -9.899 5.825 1.00 0.00 O ATOM 1047 CB THR A 66 1.860 -11.828 4.088 1.00 0.00 C ATOM 1048 OG1 THR A 66 0.817 -12.246 3.197 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.098 -12.679 3.848 1.00 0.00 C ATOM 0 H THR A 66 0.643 -13.916 5.208 1.00 0.00 H new ATOM 0 HA THR A 66 2.156 -11.595 6.216 1.00 0.00 H new ATOM 0 HB THR A 66 2.109 -10.783 3.903 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.201 -12.461 2.322 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.421 -12.567 2.813 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.897 -12.355 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.864 -13.725 4.044 1.00 0.00 H new ATOM 1057 N GLY A 67 -1.045 -11.794 5.814 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.330 -11.124 5.649 1.00 0.00 C ATOM 1059 C GLY A 67 -2.858 -11.125 4.213 1.00 0.00 C ATOM 1060 O GLY A 67 -4.032 -10.830 3.975 1.00 0.00 O ATOM 0 H GLY A 67 -1.111 -12.797 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.064 -11.606 6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.236 -10.093 5.989 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.993 -11.470 3.259 1.00 0.00 N ATOM 1065 CA GLU A 68 -2.385 -11.593 1.848 1.00 0.00 C ATOM 1066 C GLU A 68 -2.602 -13.050 1.397 1.00 0.00 C ATOM 1067 O GLU A 68 -3.352 -13.305 0.457 1.00 0.00 O ATOM 1068 CB GLU A 68 -1.331 -10.931 0.958 1.00 0.00 C ATOM 1069 CG GLU A 68 -1.111 -9.451 1.239 1.00 0.00 C ATOM 1070 CD GLU A 68 0.037 -8.908 0.435 1.00 0.00 C ATOM 1071 OE1 GLU A 68 0.667 -9.671 -0.256 1.00 0.00 O ATOM 1072 OE2 GLU A 68 0.213 -7.712 0.422 1.00 0.00 O ATOM 0 H GLU A 68 -1.009 -11.671 3.436 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.345 -11.087 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.385 -11.457 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.626 -11.051 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.018 -8.895 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.915 -9.305 2.301 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.935 -13.996 2.058 1.00 0.00 N ATOM 1080 CA PHE A 69 -2.066 -15.423 1.714 1.00 0.00 C ATOM 1081 C PHE A 69 -3.350 -16.055 2.287 1.00 0.00 C ATOM 1082 O PHE A 69 -3.712 -17.178 1.927 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.842 -16.195 2.210 1.00 0.00 C ATOM 1084 CG PHE A 69 0.444 -15.781 1.554 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.435 -15.109 0.342 1.00 0.00 C ATOM 1086 CD2 PHE A 69 1.665 -16.063 2.148 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.617 -14.727 -0.263 1.00 0.00 C ATOM 1088 CE2 PHE A 69 2.849 -15.682 1.547 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.825 -15.013 0.340 1.00 0.00 C ATOM 0 H PHE A 69 -1.299 -13.807 2.833 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.132 -15.486 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.750 -16.058 3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.001 -17.259 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.507 -14.881 -0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.691 -16.587 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.596 -14.205 -1.208 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.793 -15.907 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.749 -14.714 -0.132 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.026 -15.332 3.179 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.171 -15.868 3.927 1.00 0.00 C ATOM 1101 C ASP A 70 -6.332 -16.256 2.973 1.00 0.00 C ATOM 1102 O ASP A 70 -6.900 -15.398 2.295 1.00 0.00 O ATOM 1103 CB ASP A 70 -5.652 -14.848 4.962 1.00 0.00 C ATOM 1104 CG ASP A 70 -6.810 -15.330 5.828 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -7.376 -16.348 5.514 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.016 -14.765 6.875 1.00 0.00 O ATOM 0 H ASP A 70 -3.800 -14.363 3.405 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.844 -16.770 4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.816 -14.583 5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.955 -13.938 4.444 1.00 0.00 H new ATOM 1111 N PRO A 71 -6.702 -17.558 2.918 1.00 0.00 N ATOM 1112 CA PRO A 71 -7.838 -18.048 2.095 1.00 0.00 C ATOM 1113 C PRO A 71 -9.176 -17.289 2.282 1.00 0.00 C ATOM 1114 O PRO A 71 -10.016 -17.291 1.378 1.00 0.00 O ATOM 1115 CB PRO A 71 -7.970 -19.512 2.525 1.00 0.00 C ATOM 1116 CG PRO A 71 -6.596 -19.898 2.956 1.00 0.00 C ATOM 1117 CD PRO A 71 -6.034 -18.677 3.635 1.00 0.00 C ATOM 0 HA PRO A 71 -7.633 -17.897 1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.687 -19.624 3.338 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.319 -20.137 1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.622 -20.749 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.984 -20.190 2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.262 -18.667 4.701 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.949 -18.626 3.541 1.00 0.00 H new ATOM 1125 N LYS A 72 -9.385 -16.649 3.432 1.00 0.00 N ATOM 1126 CA LYS A 72 -10.610 -15.862 3.660 1.00 0.00 C ATOM 1127 C LYS A 72 -10.658 -14.630 2.734 1.00 0.00 C ATOM 1128 O LYS A 72 -11.734 -14.180 2.340 1.00 0.00 O ATOM 1129 CB LYS A 72 -10.702 -15.427 5.123 1.00 0.00 C ATOM 1130 CG LYS A 72 -10.976 -16.561 6.101 1.00 0.00 C ATOM 1131 CD LYS A 72 -11.052 -16.051 7.533 1.00 0.00 C ATOM 1132 CE LYS A 72 -11.325 -17.184 8.512 1.00 0.00 C ATOM 1133 NZ LYS A 72 -11.375 -16.704 9.918 1.00 0.00 N ATOM 0 H LYS A 72 -8.733 -16.655 4.217 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.465 -16.497 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.768 -14.939 5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.492 -14.682 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.913 -17.053 5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.189 -17.311 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.116 -15.559 7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.839 -15.302 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.271 -17.663 8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.548 -17.942 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.563 -17.506 10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.464 -16.270 10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.133 -15.999 10.017 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.489 -14.084 2.398 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.406 -12.910 1.513 1.00 0.00 C ATOM 1149 C LEU A 73 -8.930 -13.291 0.100 1.00 0.00 C ATOM 1150 O LEU A 73 -9.306 -12.646 -0.879 1.00 0.00 O ATOM 1151 CB LEU A 73 -8.469 -11.859 2.122 1.00 0.00 C ATOM 1152 CG LEU A 73 -8.880 -11.345 3.508 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -7.825 -10.386 4.042 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.235 -10.659 3.416 1.00 0.00 C ATOM 0 H LEU A 73 -8.586 -14.431 2.722 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.409 -12.492 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.468 -12.284 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.408 -11.011 1.440 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.959 -12.185 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.125 -10.026 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.869 -10.904 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.724 -9.540 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.526 -10.294 4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.172 -9.820 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.979 -11.370 3.058 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.105 -14.329 -0.004 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.658 -14.833 -1.310 1.00 0.00 C ATOM 1168 C LEU A 74 -8.421 -16.120 -1.680 1.00 0.00 C ATOM 1169 O LEU A 74 -8.140 -17.192 -1.138 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.145 -15.087 -1.294 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.492 -15.223 -2.675 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -3.981 -15.339 -2.528 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -6.059 -16.441 -3.389 1.00 0.00 C ATOM 0 H LEU A 74 -7.730 -14.840 0.795 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.873 -14.078 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.661 -14.270 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.951 -15.997 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.710 -14.336 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.526 -15.435 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.594 -14.447 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.740 -16.218 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.594 -16.537 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.853 -17.336 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.136 -16.324 -3.508 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.402 -16.031 -2.606 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.160 -17.204 -3.086 1.00 0.00 C ATOM 1187 C PRO A 75 -9.303 -18.189 -3.897 1.00 0.00 C ATOM 1188 O PRO A 75 -8.729 -17.838 -4.928 1.00 0.00 O ATOM 1189 CB PRO A 75 -11.274 -16.589 -3.938 1.00 0.00 C ATOM 1190 CG PRO A 75 -10.712 -15.290 -4.404 1.00 0.00 C ATOM 1191 CD PRO A 75 -9.873 -14.785 -3.261 1.00 0.00 C ATOM 0 HA PRO A 75 -10.534 -17.808 -2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.533 -17.234 -4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.184 -16.442 -3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.111 -15.422 -5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.505 -14.585 -4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.040 -14.176 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.455 -14.167 -2.578 1.00 0.00 H new ATOM 1199 N TYR A 76 -9.218 -19.436 -3.435 1.00 0.00 N ATOM 1200 CA TYR A 76 -8.352 -20.425 -4.082 1.00 0.00 C ATOM 1201 C TYR A 76 -9.131 -21.394 -4.985 1.00 0.00 C ATOM 1202 O TYR A 76 -10.169 -21.938 -4.606 1.00 0.00 O ATOM 1203 CB TYR A 76 -7.578 -21.212 -3.022 1.00 0.00 C ATOM 1204 CG TYR A 76 -6.442 -20.438 -2.391 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -5.217 -20.323 -3.033 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -6.595 -19.827 -1.155 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -4.176 -19.618 -2.462 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -5.561 -19.117 -0.576 1.00 0.00 C ATOM 1209 CZ TYR A 76 -4.352 -19.015 -1.232 1.00 0.00 C ATOM 1210 OH TYR A 76 -3.317 -18.313 -0.660 1.00 0.00 O ATOM 0 H TYR A 76 -9.731 -19.784 -2.625 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.660 -19.876 -4.721 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.269 -21.526 -2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.178 -22.119 -3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.076 -20.793 -3.995 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.539 -19.908 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.229 -19.539 -2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.699 -18.644 0.385 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.600 -17.964 0.211 1.00 0.00 H new ATOM 1220 N ASP A 77 -8.628 -21.585 -6.201 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.111 -22.646 -7.091 1.00 0.00 C ATOM 1222 C ASP A 77 -8.400 -23.964 -6.736 1.00 0.00 C ATOM 1223 O ASP A 77 -7.526 -23.972 -5.876 1.00 0.00 O ATOM 1224 CB ASP A 77 -8.874 -22.283 -8.559 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.816 -22.969 -9.538 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -10.544 -23.839 -9.120 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.916 -22.516 -10.652 1.00 0.00 O ATOM 0 H ASP A 77 -7.880 -21.016 -6.598 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.186 -22.764 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.974 -21.204 -8.674 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.848 -22.538 -8.822 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.755 -25.063 -7.399 1.00 0.00 N ATOM 1233 CA LYS A 78 -8.119 -26.363 -7.134 1.00 0.00 C ATOM 1234 C LYS A 78 -6.592 -26.305 -7.370 1.00 0.00 C ATOM 1235 O LYS A 78 -5.792 -26.587 -6.466 1.00 0.00 O ATOM 1236 CB LYS A 78 -8.746 -27.449 -8.010 1.00 0.00 C ATOM 1237 CG LYS A 78 -8.160 -28.839 -7.805 1.00 0.00 C ATOM 1238 CD LYS A 78 -8.859 -29.868 -8.679 1.00 0.00 C ATOM 1239 CE LYS A 78 -8.252 -31.252 -8.501 1.00 0.00 C ATOM 1240 NZ LYS A 78 -8.912 -32.267 -9.365 1.00 0.00 N ATOM 0 H LYS A 78 -9.475 -25.085 -8.121 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.287 -26.608 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.817 -27.486 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.627 -27.168 -9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.095 -28.825 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.254 -29.125 -6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.920 -29.899 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.786 -29.569 -9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.188 -31.214 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.338 -31.554 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.468 -33.195 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.922 -32.323 -9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.808 -31.994 -10.363 1.00 0.00 H new ATOM 1254 N ARG A 79 -6.194 -25.894 -8.575 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.775 -25.840 -8.943 1.00 0.00 C ATOM 1256 C ARG A 79 -4.072 -24.636 -8.304 1.00 0.00 C ATOM 1257 O ARG A 79 -2.914 -24.733 -7.883 1.00 0.00 O ATOM 1258 CB ARG A 79 -4.575 -25.861 -10.452 1.00 0.00 C ATOM 1259 CG ARG A 79 -4.909 -27.184 -11.122 1.00 0.00 C ATOM 1260 CD ARG A 79 -4.809 -27.162 -12.604 1.00 0.00 C ATOM 1261 NE ARG A 79 -5.136 -28.424 -13.249 1.00 0.00 N ATOM 1262 CZ ARG A 79 -5.267 -28.591 -14.579 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -5.137 -27.578 -15.406 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -5.552 -29.800 -15.031 1.00 0.00 N ATOM 0 H ARG A 79 -6.831 -25.594 -9.313 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.311 -26.743 -8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.191 -25.079 -10.897 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.537 -25.612 -10.670 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.239 -27.952 -10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.922 -27.474 -10.842 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.474 -26.389 -12.989 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.794 -26.878 -12.883 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.276 -29.239 -12.652 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.934 -26.647 -15.043 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.240 -27.723 -16.410 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.667 -30.575 -14.378 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.657 -29.958 -16.033 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.771 -23.504 -8.245 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.287 -22.318 -7.525 1.00 0.00 C ATOM 1280 C LEU A 80 -3.957 -22.651 -6.059 1.00 0.00 C ATOM 1281 O LEU A 80 -2.875 -22.321 -5.562 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.328 -21.194 -7.598 1.00 0.00 C ATOM 1283 CG LEU A 80 -4.902 -19.867 -6.958 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -3.713 -19.283 -7.709 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.075 -18.898 -6.967 1.00 0.00 C ATOM 0 H LEU A 80 -5.681 -23.379 -8.689 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.368 -21.982 -8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.571 -21.013 -8.645 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.243 -21.536 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.600 -20.042 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.418 -18.341 -7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.879 -19.983 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.990 -19.106 -8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.772 -17.955 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.392 -18.720 -7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.903 -19.324 -6.401 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.885 -23.333 -5.387 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.668 -23.788 -4.010 1.00 0.00 C ATOM 1299 C ALA A 81 -3.395 -24.625 -3.872 1.00 0.00 C ATOM 1300 O ALA A 81 -2.511 -24.275 -3.095 1.00 0.00 O ATOM 1301 CB ALA A 81 -5.869 -24.577 -3.504 1.00 0.00 C ATOM 0 H ALA A 81 -5.795 -23.584 -5.773 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.545 -22.894 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.685 -24.904 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.756 -23.945 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.026 -25.448 -4.140 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.291 -25.719 -4.640 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.170 -26.654 -4.470 1.00 0.00 C ATOM 1309 C TRP A 82 -0.816 -25.945 -4.602 1.00 0.00 C ATOM 1310 O TRP A 82 -0.033 -25.918 -3.661 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.266 -27.789 -5.492 1.00 0.00 C ATOM 1312 CG TRP A 82 -1.080 -28.705 -5.481 1.00 0.00 C ATOM 1313 CD1 TRP A 82 -0.139 -28.810 -4.500 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.707 -29.644 -6.497 1.00 0.00 C ATOM 1315 NE1 TRP A 82 0.796 -29.755 -4.841 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.468 -30.282 -6.064 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.257 -30.006 -7.733 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 1.104 -31.258 -6.817 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.620 -30.984 -8.487 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.527 -31.593 -8.042 1.00 0.00 C ATOM 0 H TRP A 82 -3.955 -25.975 -5.371 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.236 -27.067 -3.463 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -3.166 -28.371 -5.294 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.376 -27.362 -6.489 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.131 -28.233 -3.587 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.603 -30.022 -4.277 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.159 -29.534 -8.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.007 -31.738 -6.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.035 -31.271 -9.442 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.994 -32.350 -8.655 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.560 -25.347 -5.763 1.00 0.00 N ATOM 1332 CA HIS A 83 0.778 -24.830 -6.081 1.00 0.00 C ATOM 1333 C HIS A 83 1.092 -23.539 -5.317 1.00 0.00 C ATOM 1334 O HIS A 83 2.148 -23.421 -4.703 1.00 0.00 O ATOM 1335 CB HIS A 83 0.913 -24.585 -7.587 1.00 0.00 C ATOM 1336 CG HIS A 83 0.767 -25.826 -8.414 1.00 0.00 C ATOM 1337 ND1 HIS A 83 1.680 -26.858 -8.373 1.00 0.00 N ATOM 1338 CD2 HIS A 83 -0.185 -26.199 -9.301 1.00 0.00 C ATOM 1339 CE1 HIS A 83 1.294 -27.814 -9.202 1.00 0.00 C ATOM 1340 NE2 HIS A 83 0.167 -27.437 -9.776 1.00 0.00 N ATOM 0 H HIS A 83 -1.253 -25.207 -6.498 1.00 0.00 H new ATOM 0 HA HIS A 83 1.497 -25.587 -5.769 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.159 -23.861 -7.897 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.886 -24.138 -7.788 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.058 -25.629 -9.582 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.813 -28.745 -9.379 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.358 -27.979 -10.462 1.00 0.00 H new ATOM 1345 N PHE A 84 0.171 -22.583 -5.333 1.00 0.00 N ATOM 1346 CA PHE A 84 0.427 -21.268 -4.732 1.00 0.00 C ATOM 1347 C PHE A 84 0.417 -21.320 -3.186 1.00 0.00 C ATOM 1348 O PHE A 84 1.320 -20.794 -2.532 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.586 -20.242 -5.257 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.399 -19.898 -6.724 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.470 -20.882 -7.707 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.158 -18.587 -7.117 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.306 -20.563 -9.041 1.00 0.00 C ATOM 1354 CE2 PHE A 84 0.007 -18.267 -8.452 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.067 -19.254 -9.414 1.00 0.00 C ATOM 0 H PHE A 84 -0.754 -22.686 -5.750 1.00 0.00 H new ATOM 0 HA PHE A 84 1.429 -20.958 -5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.594 -20.631 -5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.506 -19.330 -4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.656 -21.907 -7.423 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.099 -17.809 -6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.365 -21.337 -9.792 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.194 -17.244 -8.742 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.062 -19.004 -10.457 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.595 -21.963 -2.600 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.729 -22.013 -1.132 1.00 0.00 C ATOM 1367 C LYS A 85 0.411 -22.824 -0.483 1.00 0.00 C ATOM 1368 O LYS A 85 0.963 -22.424 0.542 1.00 0.00 O ATOM 1369 CB LYS A 85 -2.083 -22.607 -0.743 1.00 0.00 C ATOM 1370 CG LYS A 85 -2.420 -22.488 0.738 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.808 -23.035 1.035 1.00 0.00 C ATOM 1372 CE LYS A 85 -4.128 -22.958 2.520 1.00 0.00 C ATOM 1373 NZ LYS A 85 -5.436 -23.589 2.842 1.00 0.00 N ATOM 0 H LYS A 85 -1.330 -22.454 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.664 -20.990 -0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.863 -22.112 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.098 -23.660 -1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.680 -23.030 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.366 -21.443 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.551 -22.471 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.872 -24.070 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.338 -23.451 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.142 -21.914 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.615 -23.515 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.194 -23.103 2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.415 -24.592 2.566 1.00 0.00 H new ATOM 1387 N GLU A 86 0.759 -23.953 -1.091 1.00 0.00 N ATOM 1388 CA GLU A 86 1.847 -24.818 -0.604 1.00 0.00 C ATOM 1389 C GLU A 86 3.220 -24.134 -0.720 1.00 0.00 C ATOM 1390 O GLU A 86 4.065 -24.263 0.163 1.00 0.00 O ATOM 1391 CB GLU A 86 1.856 -26.142 -1.370 1.00 0.00 C ATOM 1392 CG GLU A 86 0.689 -27.065 -1.047 1.00 0.00 C ATOM 1393 CD GLU A 86 0.683 -27.449 0.406 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.679 -27.945 0.874 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.276 -27.144 1.077 1.00 0.00 O ATOM 0 H GLU A 86 0.301 -24.301 -1.934 1.00 0.00 H new ATOM 0 HA GLU A 86 1.661 -25.012 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.850 -25.929 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.788 -26.666 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.249 -26.570 -1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.751 -27.963 -1.662 1.00 0.00 H new ATOM 1402 N PHE A 87 3.429 -23.404 -1.810 1.00 0.00 N ATOM 1403 CA PHE A 87 4.692 -22.693 -2.041 1.00 0.00 C ATOM 1404 C PHE A 87 4.859 -21.500 -1.084 1.00 0.00 C ATOM 1405 O PHE A 87 5.903 -21.344 -0.451 1.00 0.00 O ATOM 1406 CB PHE A 87 4.771 -22.215 -3.493 1.00 0.00 C ATOM 1407 CG PHE A 87 6.131 -21.721 -3.896 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.155 -22.613 -4.171 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.388 -20.362 -3.998 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.407 -22.159 -4.542 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.638 -19.906 -4.368 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.648 -20.806 -4.640 1.00 0.00 C ATOM 0 H PHE A 87 2.740 -23.286 -2.553 1.00 0.00 H new ATOM 0 HA PHE A 87 5.504 -23.393 -1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.483 -23.034 -4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.045 -21.415 -3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.973 -23.675 -4.095 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.602 -19.652 -3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.196 -22.865 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.825 -18.845 -4.444 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.626 -20.450 -4.929 1.00 0.00 H new ATOM 1422 N CYS A 88 3.824 -20.661 -0.980 1.00 0.00 N ATOM 1423 CA CYS A 88 3.942 -19.362 -0.293 1.00 0.00 C ATOM 1424 C CYS A 88 3.501 -19.414 1.181 1.00 0.00 C ATOM 1425 O CYS A 88 4.134 -18.815 2.048 1.00 0.00 O ATOM 1426 CB CYS A 88 2.990 -18.480 -1.100 1.00 0.00 C ATOM 1427 SG CYS A 88 3.458 -18.258 -2.832 1.00 0.00 S ATOM 0 H CYS A 88 2.897 -20.853 -1.360 1.00 0.00 H new ATOM 0 HA CYS A 88 4.973 -19.010 -0.255 1.00 0.00 H new ATOM 0 HB2 CYS A 88 1.991 -18.914 -1.060 1.00 0.00 H new ATOM 0 HB3 CYS A 88 2.931 -17.501 -0.625 1.00 0.00 H new ATOM 0 HG CYS A 88 2.486 -17.680 -3.474 1.00 0.00 H new ATOM 1433 N TYR A 89 2.418 -20.140 1.466 1.00 0.00 N ATOM 1434 CA TYR A 89 1.738 -20.046 2.773 1.00 0.00 C ATOM 1435 C TYR A 89 2.072 -21.240 3.692 1.00 0.00 C ATOM 1436 O TYR A 89 1.486 -21.403 4.764 1.00 0.00 O ATOM 1437 CB TYR A 89 0.217 -19.935 2.553 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.590 -19.723 3.826 1.00 0.00 C ATOM 1439 CD1 TYR A 89 -0.376 -18.604 4.624 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -1.565 -20.633 4.227 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -1.102 -18.399 5.782 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -2.297 -20.433 5.385 1.00 0.00 C ATOM 1443 CZ TYR A 89 -2.061 -19.315 6.157 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.790 -19.109 7.311 1.00 0.00 O ATOM 0 H TYR A 89 1.989 -20.799 0.816 1.00 0.00 H new ATOM 0 HA TYR A 89 2.101 -19.151 3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.021 -19.108 1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.134 -20.843 2.062 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.372 -17.881 4.333 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.753 -21.509 3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.919 -17.525 6.390 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.049 -21.149 5.682 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.425 -19.845 7.432 1.00 0.00 H new ATOM 1454 N LYS A 90 3.029 -22.064 3.282 1.00 0.00 N ATOM 1455 CA LYS A 90 3.504 -23.165 4.126 1.00 0.00 C ATOM 1456 C LYS A 90 4.082 -22.655 5.457 1.00 0.00 C ATOM 1457 O LYS A 90 5.142 -22.040 5.498 1.00 0.00 O ATOM 1458 CB LYS A 90 4.555 -23.988 3.381 1.00 0.00 C ATOM 1459 CG LYS A 90 4.665 -25.435 3.842 1.00 0.00 C ATOM 1460 CD LYS A 90 3.402 -26.218 3.516 1.00 0.00 C ATOM 1461 CE LYS A 90 3.528 -27.675 3.935 1.00 0.00 C ATOM 1462 NZ LYS A 90 2.285 -28.443 3.660 1.00 0.00 N ATOM 0 H LYS A 90 3.492 -21.995 2.376 1.00 0.00 H new ATOM 0 HA LYS A 90 2.646 -23.797 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.321 -23.976 2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.526 -23.507 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.522 -25.907 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.846 -25.464 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.550 -25.765 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.203 -26.162 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.362 -28.134 3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.759 -27.728 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.456 -29.454 3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.525 -28.109 4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.003 -28.304 2.669 1.00 0.00 H new ATOM 1476 N THR A 91 3.375 -22.917 6.551 1.00 0.00 N ATOM 1477 CA THR A 91 3.834 -22.492 7.884 1.00 0.00 C ATOM 1478 C THR A 91 4.851 -23.473 8.496 1.00 0.00 C ATOM 1479 O THR A 91 5.619 -23.115 9.393 1.00 0.00 O ATOM 1480 CB THR A 91 2.649 -22.336 8.856 1.00 0.00 C ATOM 1481 OG1 THR A 91 1.985 -23.597 9.011 1.00 0.00 O ATOM 1482 CG2 THR A 91 1.659 -21.307 8.330 1.00 0.00 C ATOM 0 H THR A 91 2.486 -23.418 6.550 1.00 0.00 H new ATOM 0 HA THR A 91 4.325 -21.529 7.740 1.00 0.00 H new ATOM 0 HB THR A 91 3.031 -21.998 9.819 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.233 -23.497 9.631 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.829 -21.210 9.030 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.158 -20.344 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.280 -21.629 7.360 1.00 0.00 H new ATOM 1490 N SER A 92 4.859 -24.707 8.002 1.00 0.00 N ATOM 1491 CA SER A 92 5.788 -25.737 8.484 1.00 0.00 C ATOM 1492 C SER A 92 6.998 -25.886 7.551 1.00 0.00 C ATOM 1493 O SER A 92 6.914 -25.610 6.350 1.00 0.00 O ATOM 1494 CB SER A 92 5.067 -27.063 8.625 1.00 0.00 C ATOM 1495 OG SER A 92 4.086 -27.024 9.626 1.00 0.00 O ATOM 0 H SER A 92 4.231 -25.024 7.264 1.00 0.00 H new ATOM 0 HA SER A 92 6.159 -25.424 9.460 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.604 -27.327 7.674 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.790 -27.846 8.856 1.00 0.00 H new ATOM 0 HG SER A 92 3.643 -27.896 9.684 1.00 0.00 H new ATOM 1501 N ALA A 93 8.127 -26.307 8.118 1.00 0.00 N ATOM 1502 CA ALA A 93 9.348 -26.572 7.347 1.00 0.00 C ATOM 1503 C ALA A 93 10.017 -27.869 7.829 1.00 0.00 C ATOM 1504 O ALA A 93 11.096 -27.845 8.425 1.00 0.00 O ATOM 1505 CB ALA A 93 10.310 -25.393 7.449 1.00 0.00 C ATOM 0 H ALA A 93 8.225 -26.474 9.119 1.00 0.00 H new ATOM 0 HA ALA A 93 9.077 -26.699 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.210 -25.606 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.830 -24.497 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.579 -25.232 8.493 1.00 0.00 H new ATOM 1511 N HIS A 94 9.362 -28.996 7.570 1.00 0.00 N ATOM 1512 CA HIS A 94 9.824 -30.312 8.036 1.00 0.00 C ATOM 1513 C HIS A 94 10.452 -31.122 6.878 1.00 0.00 C ATOM 1514 O HIS A 94 10.796 -30.555 5.843 1.00 0.00 O ATOM 1515 CB HIS A 94 8.669 -31.098 8.663 1.00 0.00 C ATOM 1516 CG HIS A 94 7.571 -31.427 7.699 1.00 0.00 C ATOM 1517 ND1 HIS A 94 7.569 -32.577 6.937 1.00 0.00 N ATOM 1518 CD2 HIS A 94 6.441 -30.757 7.372 1.00 0.00 C ATOM 1519 CE1 HIS A 94 6.484 -32.600 6.184 1.00 0.00 C ATOM 1520 NE2 HIS A 94 5.783 -31.507 6.429 1.00 0.00 N ATOM 0 H HIS A 94 8.496 -29.030 7.032 1.00 0.00 H new ATOM 0 HA HIS A 94 10.589 -30.148 8.794 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.059 -32.024 9.086 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.254 -30.520 9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.118 -29.810 7.777 1.00 0.00 H new ATOM 0 HE1 HIS A 94 6.215 -33.380 5.487 1.00 0.00 H new ATOM 0 HE2 HIS A 94 4.897 -31.260 5.989 1.00 0.00 H new ATOM 1525 N GLY A 95 10.640 -32.434 7.077 1.00 0.00 N ATOM 1526 CA GLY A 95 11.314 -33.277 6.085 1.00 0.00 C ATOM 1527 C GLY A 95 10.739 -33.151 4.671 1.00 0.00 C ATOM 1528 O GLY A 95 11.487 -33.187 3.695 1.00 0.00 O ATOM 0 H GLY A 95 10.335 -32.931 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.372 -33.017 6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.248 -34.318 6.402 1.00 0.00 H new ATOM 1532 N ILE A 96 9.413 -33.013 4.563 1.00 0.00 N ATOM 1533 CA ILE A 96 8.743 -32.855 3.258 1.00 0.00 C ATOM 1534 C ILE A 96 7.867 -31.578 3.214 1.00 0.00 C ATOM 1535 O ILE A 96 6.652 -31.633 3.411 1.00 0.00 O ATOM 1536 CB ILE A 96 7.867 -34.078 2.930 1.00 0.00 C ATOM 1537 CG1 ILE A 96 8.689 -35.365 3.029 1.00 0.00 C ATOM 1538 CG2 ILE A 96 7.257 -33.938 1.544 1.00 0.00 C ATOM 1539 CD1 ILE A 96 7.888 -36.622 2.776 1.00 0.00 C ATOM 0 H ILE A 96 8.778 -33.007 5.361 1.00 0.00 H new ATOM 0 HA ILE A 96 9.532 -32.766 2.512 1.00 0.00 H new ATOM 0 HB ILE A 96 7.057 -34.130 3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.509 -35.317 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.136 -35.424 4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.641 -34.811 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.640 -33.040 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.052 -33.863 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.539 -37.492 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.084 -36.695 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.463 -36.587 1.773 1.00 0.00 H new ATOM 1551 N PRO A 97 8.480 -30.394 3.000 1.00 0.00 N ATOM 1552 CA PRO A 97 7.752 -29.121 2.952 1.00 0.00 C ATOM 1553 C PRO A 97 7.333 -28.693 1.528 1.00 0.00 C ATOM 1554 O PRO A 97 6.573 -27.741 1.363 1.00 0.00 O ATOM 1555 CB PRO A 97 8.795 -28.160 3.519 1.00 0.00 C ATOM 1556 CG PRO A 97 10.105 -28.666 2.990 1.00 0.00 C ATOM 1557 CD PRO A 97 9.974 -30.172 2.840 1.00 0.00 C ATOM 0 HA PRO A 97 6.806 -29.161 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.607 -27.136 3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 97 8.782 -28.159 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.338 -28.202 2.032 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.918 -28.416 3.672 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.333 -30.515 1.870 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.546 -30.706 3.599 1.00 0.00 H new ATOM 1565 N MET A 98 7.836 -29.397 0.509 1.00 0.00 N ATOM 1566 CA MET A 98 7.726 -28.952 -0.887 1.00 0.00 C ATOM 1567 C MET A 98 6.319 -29.188 -1.465 1.00 0.00 C ATOM 1568 O MET A 98 5.439 -29.726 -0.795 1.00 0.00 O ATOM 1569 CB MET A 98 8.770 -29.665 -1.743 1.00 0.00 C ATOM 1570 CG MET A 98 10.209 -29.273 -1.437 1.00 0.00 C ATOM 1571 SD MET A 98 11.410 -30.340 -2.259 1.00 0.00 S ATOM 1572 CE MET A 98 11.003 -30.045 -3.978 1.00 0.00 C ATOM 0 H MET A 98 8.327 -30.284 0.625 1.00 0.00 H new ATOM 0 HA MET A 98 7.907 -27.877 -0.903 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.662 -30.741 -1.605 1.00 0.00 H new ATOM 0 HB3 MET A 98 8.565 -29.456 -2.793 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.374 -28.241 -1.747 1.00 0.00 H new ATOM 0 HG3 MET A 98 10.371 -29.313 -0.360 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.757 -30.507 -4.615 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.027 -30.477 -4.200 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.976 -28.972 -4.167 1.00 0.00 H new ATOM 1582 N ILE A 99 6.126 -28.787 -2.724 1.00 0.00 N ATOM 1583 CA ILE A 99 4.837 -28.945 -3.419 1.00 0.00 C ATOM 1584 C ILE A 99 4.372 -30.417 -3.457 1.00 0.00 C ATOM 1585 O ILE A 99 3.174 -30.698 -3.497 1.00 0.00 O ATOM 1586 CB ILE A 99 4.911 -28.406 -4.859 1.00 0.00 C ATOM 1587 CG1 ILE A 99 5.253 -26.914 -4.855 1.00 0.00 C ATOM 1588 CG2 ILE A 99 3.600 -28.653 -5.588 1.00 0.00 C ATOM 1589 CD1 ILE A 99 4.269 -26.065 -4.081 1.00 0.00 C ATOM 0 H ILE A 99 6.850 -28.346 -3.291 1.00 0.00 H new ATOM 0 HA ILE A 99 4.111 -28.366 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 99 5.702 -28.938 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.248 -26.780 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.295 -26.558 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.670 -28.266 -6.604 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.398 -29.724 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.790 -28.147 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.578 -25.020 -4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.276 -26.168 -4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.243 -26.394 -3.042 1.00 0.00 H new ATOM 1601 N GLY A 100 5.320 -31.354 -3.432 1.00 0.00 N ATOM 1602 CA GLY A 100 4.960 -32.770 -3.442 1.00 0.00 C ATOM 1603 C GLY A 100 6.006 -33.703 -2.826 1.00 0.00 C ATOM 1604 O GLY A 100 6.057 -33.883 -1.608 1.00 0.00 O ATOM 0 H GLY A 100 6.322 -31.164 -3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.020 -32.895 -2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.781 -33.078 -4.472 1.00 0.00 H new ATOM 1608 N GLU A 101 6.865 -34.267 -3.673 1.00 0.00 N ATOM 1609 CA GLU A 101 7.891 -35.221 -3.229 1.00 0.00 C ATOM 1610 C GLU A 101 9.223 -34.561 -2.843 1.00 0.00 C ATOM 1611 O GLU A 101 9.954 -34.055 -3.696 1.00 0.00 O ATOM 1612 CB GLU A 101 8.136 -36.263 -4.323 1.00 0.00 C ATOM 1613 CG GLU A 101 9.140 -37.345 -3.949 1.00 0.00 C ATOM 1614 CD GLU A 101 9.304 -38.344 -5.059 1.00 0.00 C ATOM 1615 OE1 GLU A 101 8.702 -38.164 -6.089 1.00 0.00 O ATOM 1616 OE2 GLU A 101 10.118 -39.227 -4.920 1.00 0.00 O ATOM 0 H GLU A 101 6.874 -34.082 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 101 7.502 -35.691 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.187 -36.737 -4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.487 -35.754 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.103 -36.888 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.809 -37.855 -3.044 1.00 0.00 H new ATOM 1623 N ALA A 102 9.526 -34.567 -1.550 1.00 0.00 N ATOM 1624 CA ALA A 102 10.783 -34.014 -1.042 1.00 0.00 C ATOM 1625 C ALA A 102 11.558 -35.084 -0.251 1.00 0.00 C ATOM 1626 O ALA A 102 11.330 -35.280 0.940 1.00 0.00 O ATOM 1627 CB ALA A 102 10.510 -32.787 -0.182 1.00 0.00 C ATOM 0 H ALA A 102 8.916 -34.950 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 102 11.400 -33.706 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.453 -32.386 0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 102 10.003 -32.029 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.878 -33.067 0.661 1.00 0.00 H new ATOM 1633 N PRO A 103 12.477 -35.812 -0.919 1.00 0.00 N ATOM 1634 CA PRO A 103 13.282 -36.878 -0.281 1.00 0.00 C ATOM 1635 C PRO A 103 14.407 -36.341 0.625 1.00 0.00 C ATOM 1636 O PRO A 103 15.589 -36.519 0.326 1.00 0.00 O ATOM 1637 CB PRO A 103 13.842 -37.664 -1.470 1.00 0.00 C ATOM 1638 CG PRO A 103 13.984 -36.650 -2.553 1.00 0.00 C ATOM 1639 CD PRO A 103 12.801 -35.732 -2.397 1.00 0.00 C ATOM 0 HA PRO A 103 12.679 -37.484 0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.801 -38.122 -1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 103 13.170 -38.469 -1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.922 -36.102 -2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.988 -37.122 -3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 103 13.042 -34.713 -2.699 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.959 -36.056 -3.010 1.00 0.00 H new ATOM 1647 N LEU A 104 14.036 -35.676 1.726 1.00 0.00 N ATOM 1648 CA LEU A 104 15.012 -35.110 2.680 1.00 0.00 C ATOM 1649 C LEU A 104 16.009 -34.167 1.960 1.00 0.00 C ATOM 1650 O LEU A 104 17.212 -34.173 2.229 1.00 0.00 O ATOM 1651 CB LEU A 104 15.763 -36.237 3.400 1.00 0.00 C ATOM 1652 CG LEU A 104 14.876 -37.226 4.168 1.00 0.00 C ATOM 1653 CD1 LEU A 104 15.731 -38.323 4.786 1.00 0.00 C ATOM 1654 CD2 LEU A 104 14.096 -36.481 5.241 1.00 0.00 C ATOM 0 H LEU A 104 13.063 -35.513 1.984 1.00 0.00 H new ATOM 0 HA LEU A 104 14.467 -34.523 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 104 16.346 -36.792 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.472 -35.792 4.098 1.00 0.00 H new ATOM 0 HG LEU A 104 14.170 -37.691 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.092 -39.020 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 104 16.263 -38.857 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 104 16.451 -37.879 5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.466 -37.183 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.792 -36.005 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.471 -35.720 4.774 1.00 0.00 H new ATOM 1666 N GLU A 105 15.485 -33.328 1.070 1.00 0.00 N ATOM 1667 CA GLU A 105 16.292 -32.334 0.361 1.00 0.00 C ATOM 1668 C GLU A 105 16.362 -31.007 1.131 1.00 0.00 C ATOM 1669 O GLU A 105 15.681 -30.035 0.797 1.00 0.00 O ATOM 1670 CB GLU A 105 15.730 -32.099 -1.043 1.00 0.00 C ATOM 1671 CG GLU A 105 15.724 -33.333 -1.934 1.00 0.00 C ATOM 1672 CD GLU A 105 15.243 -33.005 -3.319 1.00 0.00 C ATOM 1673 OE1 GLU A 105 14.933 -31.864 -3.565 1.00 0.00 O ATOM 1674 OE2 GLU A 105 15.291 -33.869 -4.163 1.00 0.00 O ATOM 0 H GLU A 105 14.496 -33.316 0.820 1.00 0.00 H new ATOM 0 HA GLU A 105 17.306 -32.727 0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 105 14.710 -31.725 -0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.315 -31.318 -1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.729 -33.752 -1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.082 -34.097 -1.496 1.00 0.00 H new ATOM 1681 N HIS A 106 17.180 -30.978 2.176 1.00 0.00 N ATOM 1682 CA HIS A 106 17.319 -29.785 3.009 1.00 0.00 C ATOM 1683 C HIS A 106 18.119 -28.706 2.265 1.00 0.00 C ATOM 1684 O HIS A 106 19.320 -28.547 2.488 1.00 0.00 O ATOM 1685 CB HIS A 106 17.996 -30.126 4.341 1.00 0.00 C ATOM 1686 CG HIS A 106 17.306 -31.213 5.106 1.00 0.00 C ATOM 1687 ND1 HIS A 106 15.964 -31.164 5.420 1.00 0.00 N ATOM 1688 CD2 HIS A 106 17.772 -32.376 5.619 1.00 0.00 C ATOM 1689 CE1 HIS A 106 15.634 -32.253 6.094 1.00 0.00 C ATOM 1690 NE2 HIS A 106 16.714 -33.003 6.227 1.00 0.00 N ATOM 0 H HIS A 106 17.758 -31.766 2.469 1.00 0.00 H new ATOM 0 HA HIS A 106 16.322 -29.399 3.222 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.026 -30.427 4.148 1.00 0.00 H new ATOM 0 HB3 HIS A 106 18.036 -29.229 4.958 1.00 0.00 H new ATOM 0 HD2 HIS A 106 18.787 -32.742 5.561 1.00 0.00 H new ATOM 0 HE1 HIS A 106 14.650 -32.489 6.471 1.00 0.00 H new ATOM 0 HE2 HIS A 106 16.754 -33.903 6.705 1.00 0.00 H new ATOM 1695 N HIS A 107 17.451 -27.987 1.363 1.00 0.00 N ATOM 1696 CA HIS A 107 18.129 -27.021 0.486 1.00 0.00 C ATOM 1697 C HIS A 107 18.545 -25.756 1.252 1.00 0.00 C ATOM 1698 O HIS A 107 17.846 -25.319 2.169 1.00 0.00 O ATOM 1699 CB HIS A 107 17.229 -26.644 -0.696 1.00 0.00 C ATOM 1700 CG HIS A 107 17.029 -27.756 -1.679 1.00 0.00 C ATOM 1701 ND1 HIS A 107 18.030 -28.190 -2.523 1.00 0.00 N ATOM 1702 CD2 HIS A 107 15.946 -28.519 -1.954 1.00 0.00 C ATOM 1703 CE1 HIS A 107 17.569 -29.175 -3.274 1.00 0.00 C ATOM 1704 NE2 HIS A 107 16.309 -29.393 -2.948 1.00 0.00 N ATOM 0 H HIS A 107 16.444 -28.052 1.217 1.00 0.00 H new ATOM 0 HA HIS A 107 19.033 -27.500 0.110 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.258 -26.328 -0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.663 -25.788 -1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.978 -28.453 -1.480 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.128 -29.711 -4.027 1.00 0.00 H new ATOM 0 HE2 HIS A 107 15.702 -30.098 -3.367 1.00 0.00 H new